# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-22T03:52:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica C (39,1983-)') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000031","3.8402","0.0001","3.8708","0.0001","27.2309","0.0003","90","","90","","90","","404.8","","295","","","","","","","","","","","4","A m m m","-A 2 2","65","","","","- Ba2 Cu4 O8 Y -","- Ba2 Cu4 O8 Y -","- Ba4 Cu8 O16 Y2 -","2","0.125","","Lightfoot, P.; Pei, S.; Jorgensen, J. D.; Yamada, Y.; Matsumoto, T.; Izumi, F.; Kodama, Y.","Redetermination of the structure of the 80 K superconductor YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction","Acta Crystallographica Section C","1991","47","","1143","1145","10.1107/S0108270190011271","","","","","","","","","","","","","","","","","","","","","has coordinates","198383","2020-10-21","18:00:00",""
"1000099","7.416","0.004","13.082","0.007","9.483","0.005","90","","90","","90","","920","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cobalt phosphinate chloride hydrate","","- Cl Co H4 O3 P -","- Cl Co H4 O3 P -","- Cl8 Co8 H32 O24 P8 -","8","1","","Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A","Layer structure of (CoCl(H~2~PO~2~)) . H~2~O","Acta Crystallographica C (39,1983-)","1991","47","","1152","1155","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000100","9.32","0.001","9.32","0.001","3.9618","0.0005","90","","90","","120","","298","","","","","","","","","","","","","6","P -6 2 m","P -6 -2","189","","Dilead manganese diiron(III) fluoride trihydrate","","- F12 Fe2 H6 Mn O3 Pb2 -","- F12 Fe2.0001 H6 Mn0.9999 O3 Pb2 -","- F12 Fe2.0001 H6 Mn0.9999 O3 Pb2 -","1","0.0833333","","Le Bail, A; Mercier, A M","Structure of Pb~2~MnFe~2~F~12~(H~2~O)~2~","Acta Crystallographica C (39,1983-)","1992","48","","239","241","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:13",""
"1000202","10.711","0.002","6.638","0.001","4.008","0.001","90","","90","","90","","285","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Mercury iron(III) fluoride dihydrate","","- F5 Fe H4 Hg O2 -","- F5 Fe H4 Hg O2 -","- F10 Fe2 H8 Hg2 O4 -","2","0.25","","Fourquet, J L; Courant, E; Chevalier, P; de Pape, R","Structure of Mercury(II) Iron(III) Fluoride Dihydrate, Hg Fe F~5~ (H~2~ O)~2~","Acta Crystallographica C (39,1983-)","1985","41","","165","167","","","","","","","0.0291","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000206","7.559","0.004","7.575","0.004","12.754","0.008","90","","90","","90","","730.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroferrate(III)","","- F4 Fe H4 N -","- F4 Fe H0.5 N -","- F32 Fe8 H4 N8 -","8","1","","Leblanc, M; Ferey, G; Pape, R","Room-Temperature Structure of Ammonium Tetrafluorate(III), N H~4~ (Fe F~4~)","Acta Crystallographica C (39,1983-)","1985","41","","657","660","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000251","5.662","0.001","5.809","0.001","8.758","0.002","90","","90","","90","","288.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Lithium copper vanadate","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Lafontaine, M A; Leblanc, M; Ferey, G","New refinement of the room-temperature structure of Li Cu V O~4~","Acta Crystallographica C (39,1983-)","1989","45","","1205","1206","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000252","7.541","0.003","7.501","0.003","13.027","0.007","90","","90.52","0.04","90","","736.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquacopper diiron(III) octafluoride","","- Cu F8 Fe2 H4 O2 -","- Cu F8 Fe2 H4 O2 -","- Cu4 F32 Fe8 H16 O8 -","4","0.5","","Leblanc, M; Ferey, G","Room-temperature structure of diaquaoctafluorocopper(II) diiron(III)","Acta Crystallographica C (39,1983-)","1990","46","","13","15","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","287513","2023-11-10","13:23:43",""
"1000253","7.444","0.001","6.658","0.001","7.759","0.001","90","","93.57","0.01","90","","383.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tricopper oxide heptaoxodivanadate hydrate","","- Cu3 H2 O9 V2 -","- Cu3 H3 O9 V2 -","- Cu6 H6 O18 V4 -","2","0.5","","Leblanc, M; Ferey, G","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2","Acta Crystallographica C (39,1983-)","1990","46","","15","18","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000254","5.617","0.001","5.595","0.001","11.333","0.002","90","","91.04","0.01","90","","356.1","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Copper hexaoxodivanadate dihydrate","","- Cu H4 O8 V2 -","- Cu H4 O8 V2 -","- Cu2 H8 O16 V4 -","2","0.5","","Leblanc, M; Ferey, G","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2","Acta Crystallographica C (39,1983-)","1990","46","","15","18","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000255","7.78","0.002","8.423","0.003","4.993","0.001","90","","96.48","0.02","90","","325.1","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Thallium octaoxotrivanadate","","- O8 Tl V3 -","- O8 Tl V3 -","- O16 Tl2 V6 -","2","0.5","","Benchrifa, R; Leblanc, M; De Pape, R","Structure of the trivanadate Tl V~3~ O~8~","Acta Crystallographica C (39,1983-)","1990","46","","177","179","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000270","7.703","0.005","10.703","0.007","12.216","0.007","97.68","0.05","118.76","0.05","99.81","0.05","842.5","","","","","","","","","","","","","3","P -1","-P 1","2","","Octathallium 34-oxo-decamolybdate","","- Mo10 O34 Tl8 -","- Mo10 O34 Tl8 -","- Mo10 O34 Tl8 -","1","0.5","","Benchrifa, R; de Pape, R","Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~ molybdates","Acta Crystallographica C (39,1983-)","1990","46","","728","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000271","7.75","0.001","11.038","0.001","12.421","0.001","98.52","0.01","119.87","0.01","99.18","0.01","876.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Octaammonium 34-oxo-decamolybdate","","- H32 Mo10 N8 O34 -","- H32 Mo10 N8 O34 -","- H32 Mo10 N8 O34 -","1","0.5","","Benchrifa, R; de Pape, R","Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~ molybdates","Acta Crystallographica C (39,1983-)","1990","46","","728","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1000280","13.215","0.002","5.943","0.001","5.938","0.001","90","","90","","90","","466.4","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Lanthanum oxide sulfide (2/2/2)","","- La2 O2 S2 -","- La2 O2 S2 -","- La8 O8 S8 -","4","0.25","","Ostorero, J; Leblanc, M","Room temperature structure of La~2~O~2~S~2~","Acta Crystallographica C (39,1983-)","1990","46","","1376","1378","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"1000338","7.262","0.004","20.668","0.008","5.431","0.002","90","","90.76","0.01","90","","815.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disodium tribarium tetrachromium fluoride","","- Ba3 Cr4 F20 Na2 -","- Ba3 Cr4 F20 Na2 -","- Ba6 Cr8 F40 Na4 -","2","0.5","","Abjean, P; Leblanc, M; De, Pape R; Ferey, G","Structure of Na~2~ Ba~3~ Cr~4~ F~20~","Acta Crystallographica C (39,1983-)","1985","41","","1696","1698","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000362","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Disodium europium carbonate trifluoride","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, N; Leblanc, M","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica C (39,1983-)","1994","50","","1864","1865","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000396","9.1546","0.0002","9.1546","0.0002","9.1546","0.0002","90","","90","","90","","767.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Zirconium tungstate","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Auray, M; Quarton, M; Leblanc, M","Zirconium tungstate","Acta Crystallographica C (39,1983-)","1995","51","","2210","2213","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000435","9.8232","0.0006","9.7376","0.0008","9.8716","0.0008","90","","102.803","0.008","90","","920.8","","","","","","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","Diiron(III) ammonium hydroxide bis(phosphate(V)) dihydrate","Spheniscidite","- Fe2 H9 N O11 P2 -","- Fe2 H12.5 N O11 P2 -","- Fe8 H50 N4 O44 P8 -","4","1","","Cavellec, M; Riou, D; Ferey, G","Synthetic spheniscidite","Acta Crystallographica C (39,1983-)","1994","50","","1379","1381","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000441","7.848","0.002","19.86699","0.004","10.773","0.003","90","","90","","90","","1679.7","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Distrontium pentfluoroferrate(III) aquapentafluoroferrate(III)","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","","","Le Meins, J-M; Hemon-Ribaud, A; Courbion, G","Sr2 Fe2 F10 . (H2 O), the first hydrated strontium iron(III) fluoride","Acta Crystallographica C (39,1983-)","1997","53","","1165","1166","","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000459","5.7747","0.0014","8.4689","0.0011","9.923","0.003","64.77","0.02","82.75","0.02","81.43","0.02","433","","","","","","","","","","","","","5","P 1","P 1","1","","Tetracalcium dialuminium dodecahydroxide carbonate pentahydrate","","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","1","1","","Francois, M; Renaudin, G; Evrard, O","A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O","Acta Crystallographica C (39,1983-)","1998","54","","1214","1217","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000466","9.826","0.002","9.826","0.002","10.106","0.002","90","","90","","120","","845","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaaquairon hexafluorostannate","","- F6 Fe H12 O6 Sn -","- F6 Fe H12 O6 Sn -","- F18 Fe3 H36 O18 Sn3 -","3","0.166667","","Benghalem, A; Leblanc, M; Calage, Y","Room-temperature structure of iron(II) hexafluorostannate(IV) hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2453","2454","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001255","18.315","0.003","24.506","0.004","7.296","0.002","90","","90","","90","","3274.6","","","","","","","","","","","","","3","A m a m","-A 2 2a","63","","Caesium niobium oxide (3/5.96/16.4)","","- Cs3 Nb5.96 O16.4 -","- Cs3 Nb5.96 O16.4 -","- Cs24 Nb47.68 O131.2 -","8","0.5","","Saine, M C; Gasperin, M","Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~","Acta Crystallographica C (39,1983-)","1983","39","","1153","1156","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001269","10","0.003","9.959","0.003","7.315","0.002","90","","111.29","0.02","90","","678.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibarium trititanium tetraniobium oxide","","- Ba2 Nb4 O18 Ti3 -","- Ba2 Nb4 O18 Ti3 -","- Ba4 Nb8 O36 Ti6 -","2","0.5","","Gasperin, M","Syntheses and Structure of a New Titanoniobate: The Trititanotetraniobate of Dibarium, Ba~2~ Ti~3~ Nb~4~ O~18~","Acta Crystallographica C (39,1983-)","1984","40","","9","11","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001271","17.788","0.011","5.277","0.004","6.607","0.005","90","","99.64","0.05","90","","611.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001272","23.775","0.017","5.291","0.001","6.588","0.002","90","","93.47","0.04","90","","827.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001330","13.477","0.015","10.031","0.008","8.428","0.002","90","","110.966","","90","","1063.9","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Magnesium dimanganese hexabromide dodecahydrate","","- Br6 H24 Mg Mn2 O12 -","- Br6 H24 Mg Mn2 O12 -","- Br12 H48 Mg2 Mn4 O24 -","2","0.25","","Leclaire, A","Structure de l'hexabromure de magnesium et de dimanganese dodecahydrate Mg Mn~2~ Br~6~ (H~2~ O)~12~","Acta Crystallographica C (39,1983-)","1985","41","","169","170","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1001332","12.023","0.005","11.723","0.005","8.435","0.004","90","","128.77","0.02","90","","926.9","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Neptunium(IV) 12-fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2.5 Np3 O -","- F48 H10 Np12 O4 -","4","1","","Cousson, A; Gasperin, M","Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O","Acta Crystallographica C (39,1983-)","1985","41","","804","805","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001334","8.2642","0.0005","8.2642","0.0005","17.559","0.002","90","","90","","120","","1038.6","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium molybdosilicophosphate *","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","Structure of Cs Mo~3~ P~5.8~ Si~2~ O~25~","Acta Crystallographica C (39,1983-)","1985","41","","1719","1720","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001337","7.63","0.002","10.923","0.002","13.609","0.003","90","","90","","90","","1134.2","","","","","","","","","","","","","6","A m a m","-A 2 2a","63","","Caesium potassium niobium titanium uranium oxide (.75/.25/1/1/2/11)","","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs3 K Nb4 O44 Ti4 U8 -","4","0.25","","Gasperin, M","(Cs~.75~ K~.25~) (Nb, Ti) U~2~ O~11~: un Niobotitanouranate Alcalin de Type Sructural Nouveau","Acta Crystallographica C (39,1983-)","1986","42","","136","138","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001338","7.43","0.001","8.7","0.001","10.668","0.002","90","","105.08","0.01","90","","665.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium niobium uranium hexaoxide","","- Cs Nb O6 U -","- Cs Nb O6 U -","- Cs4 Nb4 O24 U4 -","4","1","","Gasperin, M","Synthese et structure du niobouranate de cesium:CsNbUo~6~","Acta Crystallographica C (39,1983-)","1987","43","","404","406","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001345","12.504","0.003","4.183","0.001","10.453","0.003","90","","122.18","0.03","90","","462.7","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Uranium borate *","","- B2 O6 U -","- B2 O6 U -","- B8 O24 U4 -","4","0.5","","Gasperin, M","Structure du borate d'uranium U B~2~ O~6~","Acta Crystallographica C (39,1983-)","1987","43","","2031","2033","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001347","16.512","0.003","8.169","0.002","6.582","0.001","90","","96.97","0.03","90","","881.3","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Calcium diboron diuranium decaoxide","","- B2 Ca O10 U2 -","- B2 Ca O10 U2 -","- B8 Ca4 O40 U8 -","4","1","","Gasperin, M","Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.","Acta Crystallographica C (39,1983-)","1987","43","","1247","1250","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001349","17.6398","0.0014","9.1761","0.0004","12.3","0.0008","90","","90","","90","","1990.9","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Potassium dimolybdenophosphate(V)","","- K Mo2 O12 P3 -","- K Mo2 O12 P3 -","- K8 Mo16 O96 P24 -","8","1","","Leclaire, A; Raveau, B","Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001350","8.8314","0.0008","9.2368","0.0007","12.3051","0.0009","90","","90","","90","","1003.8","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rubidium dimolybdenotriphosphate(V)","","- Mo2 O12 P3 Rb -","- Mo2 O12 P3 Rb -","- Mo8 O48 P12 Rb4 -","4","0.5","","Leclaire, A; Raveau, B","Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001359","10.712","0.003","5.78","0.001","6.862","0.002","90","","90","","90","","424.9","","","","","","","","","","","","","4","P c a m","-P 2c 2ac","57","","Sodium borouranate","","- B Na O5 U -","- B Na O5 U -","- B4 Na4 O20 U4 -","4","0.5","","Gasperin, M","Synthese et structure du borouranate de sodium, Na B U O~5~.","Acta Crystallographica C (39,1983-)","1988","44","","415","416","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001360","9.747","0.003","7.315","0.002","7.911","0.002","90","","90","","90","","564","","","","","","","","","","prepared at 1473 K","","","4","P c a m","-P 2c 2ac","57","","Magnesium diborouranate - prepared at 1473 K","","- B2 Mg O7 U -","- B2 Mg O7 U -","- B8 Mg4 O28 U4 -","4","0.5","","Gasperin, M","Synthese et structure du diborouranate de magnesium, Mg B~2~ U O~7~.","Acta Crystallographica C (39,1983-)","1987","43","","2264","2266","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001361","17.6398","0.0014","9.1761","0.0004","12.3","0.0008","90","","90","","90","","1990.9","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Potassium dimolybdotriphosphate","","- K Mo2 O12 P3 -","- K Mo2 O12 P3 -","- K8 Mo16 O96 P24 -","8","1","","Leclaire, A; Raveau, B","Small Atomic Displacements in the Molybdenophospates A Mo~2~ P~3~ O~12~ (A= K, Rb, Tl)","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001363","14.705","0.004","14.705","0.004","7.3986","0.0005","90","","90","","120","","1385.5","","","","","","","","","","","","","4","P -3","-P 3","147","","Tetramolybdenum(III) tecto-hexaphosphodisilicate","","- Mo4 O25 P6 Si2 -","- Mo4 O25 P6 Si2 -","- Mo12 O75 P18 Si6 -","3","0.5","","Leclaire, A; Lamire, M; Raveau, B","Mo~4~ P~6~ Si~2~ O~25~, an Mo(^III^) phosphosilicate closely related to V~3~ P~5~ Si O~19~: oxygen non-stoichiometry in silicophosphates.","Acta Crystallographica C (39,1983-)","1988","44","","1181","1184","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001391","7.5237","0.0006","10.3537","0.0008","8.3998","0.0008","90","","105.832","0.0069","90","","629.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rubidium molybdenum(III) diphosphate","","- Mo O7 P2 Rb -","- Mo O7 P2 Rb -","- Mo4 O28 P8 Rb4 -","4","1","","Riou, D; Leclaire, A; Grandin, A; Raveau, B","Structure of a diphosphate of trivalent molybdenum Rb Mo P~2~ O~7~","Acta Crystallographica C (39,1983-)","1989","45","","989","991","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001392","5.861","0.002","20.2","0.006","4.501","","90","","90","","90","","532.9","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Nickel borouranate * 00000100","","- B4 Ni7 O16 U -","- B4 Ni7 O16 U -","- B8 Ni14 O32 U2 -","2","0.25","","Gasperin, M","Synthese et structure du tetraborouranate de nickel, Ni~7~ B~4~ U O~16~","Acta Crystallographica C (39,1983-)","1989","45","","981","983","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001393","8.818","0.0006","9.1574","0.0008","12.3836","0.0008","90","","90","","90","","1000","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum(IV) tungsten(IV) phosphate *","","- K Mo O12 P3 W -","- K Mo O12 P3 W -","- K4 Mo4 O48 P12 W4 -","4","0.5","","Benmoussa, A; Leclaire, A; Grandin, A; Raveau, B","K Mo W P~3~ O~12~, a tunnel structure of the K Mo~2~ P~3~ O~12~ - type","Acta Crystallographica C (39,1983-)","1989","45","","1277","1279","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001413","5.767","0.002","10.574","0.003","6.835","0.002","90","","105.04","0.03","90","","402.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium borouranate","","- B Li O5 U -","- B Li O5 U -","- B4 Li4 O20 U4 -","4","1","","Gasperin, M","Synthese et structure du borouranate de lithium LiBUO~5~","Acta Crystallographica C (39,1983-)","1990","46","","372","374","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001426","8.8518","0.0005","9.1453","0.0011","12.5174","0.0011","90","","90","","90","","1013.3","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum niobium oxide phosphate diphosphate *","","- K0.75 Mo Nb O12 P3 -","- K0.75 Mo Nb O12 P3 -","- K3 Mo4 Nb4 O48 P12 -","4","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide K~0.75~MoNbP~3~O~12~","Acta Crystallographica C (39,1983-)","1990","46","","1381","1383","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001427","4.8171","0.0008","7.133","0.002","7.998","0.002","90.53","0.02","92.95","0.02","105.18","0.02","264.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Potassium molybdenum aluminium phosphate (1/1.5/.5/4)","","- Al0.5 K Mo1.5 O14 P4 -","- Al0.5 K Mo1.5 O14 P4 -","- Al0.5 K Mo1.5 O14 P4 -","1","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","K~2~Mo~3~AlP~8~O~28~: a tunnel structure isotypic with Na0.5MoP~2~O~7~","Acta Crystallographica C (39,1983-)","1990","46","","1368","1370","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001430","7.3686","0.0003","10.0527","0.0005","8.1874","0.0004","90","","106.58","0.003","90","","581.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium vanadium(III) diphosphate","","- K O7 P2 V -","- K O7 P2 V -","- K4 O28 P8 V4 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Structure of KVP~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","424","425","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001443","11.545","0.003","6.937","0.002","10.263","0.003","90","","101.5","0.3","90","","805.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thorium diborate","","- B2 O5 Th -","- B2 O5 Th -","- B16 O40 Th8 -","8","1","","Cousson, A; Gasperin, M","Synthese et structure du borate de thorium: ThB~2~O~5~","Acta Crystallographica C (39,1983-)","1991","47","","10","12","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001464","12.764","0.0008","10.5153","0.0009","6.3648","0.0004","90","","90","","90","","854.3","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Potassium vanadium(IV) oxide phosphate","","- K O5 P V -","- K O5 P V -","- K8 O40 P8 V8 -","8","2","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","KVPO~5~, an intersecting tunnel structure closely related to the hexagonal tungsten bronze","Acta Crystallographica C (39,1983-)","1991","47","","1138","1141","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001465","6.977","0.001","8.33","0.002","9.032","0.009","90","","113.74","0.01","90","","480.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Magnesium cobalt diphosphate (1.1/0.9/1)","","- Co0.92 Mg1.08 O7 P2 -","- Co0.92 Mg1.08 O7 P2 -","- Co3.68 Mg4.32 O28 P8 -","4","1","","Riou, D; Leclaire, A; Raveau, B","Structure of a cobalt magnesium diphosphate: (Mg~x~Co~1-x~)~2~P~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","1583","1585","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001466","5.3165","0.0004","8.2574","0.0005","12.6755","0.0007","90","","90.133","0.005","90","","556.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium cobalt diphosphate","","- Co O7 P2 Sr -","- Co O7 P2 Sr -","- Co4 O28 P8 Sr4 -","4","1","","Riou, D; Raveau, B","Structure of SrCoP~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","1708","1709","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001509","8.631","0.001","8.631","0.001","8.631","0.001","90","","90","","90","","643","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Nonapotassium bismuth hexauranium oxide","","- Bi K9 O24 U6 -","- Bi K9 O24 U6 -","- Bi K9 O24 U6 -","1","0.0208333","","Gasperin, M; Rebizant, J; Dancausse, J; Meyer, D; Cousson, A","Structure de K~9~BiU~6~O~24~","Acta Crystallographica C (39,1983-)","1991","47","","2278","2279","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001510","10.6213","0.0008","10.4685","0.0007","9.7063","0.0013","90","","103.074","0.009","90","","1051.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium divanadium(III) diphosphate","","- Ba O14 P4 V2 -","- Ba O14 P4 V2 -","- Ba4 O56 P16 V8 -","4","0.5","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Structure of barium vanadium(III) diphosphate","Acta Crystallographica C (39,1983-)","1991","47","","2437","2438","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001529","15.639","0.002","15.639","0.002","3.8317","0.0004","90","","90","","90","","937.2","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Phosphorus nonaniobium oxide","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.125","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Redetermination of the structure of PNb~9~O~25~","Acta Crystallographica C (39,1983-)","1991","47","","849","850","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001534","5.2306","0.0004","8.5805","0.0009","16.79","0.001","90","","91.01","0.01","90","","753.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lead divanado(IV)diphosphate","","- O10 P2 Pb V2 -","- O10 P2 Pb V2 -","- O40 P8 Pb4 V8 -","4","1","","Grandin, A; Chardon, J; Borel, M M; Leclaire, A; Raveau, B","Structure of PbV~2~P~2~O~1~0","Acta Crystallographica C (39,1983-)","1992","48","","1913","1915","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001535","10.6604","0.0008","10.6604","0.0008","6.4434","0.0004","90","","90","","90","","732.3","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Barium rubidium tecto-octaniobopentaphosphate (0.84/3/1)","","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","1","0.125","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of Ba~0.84~Rb~3~Nb~8~P~5~O~34~","Acta Crystallographica C (39,1983-)","1992","48","","2066","2067","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001537","10.0451","0.0002","11.6905","0.0002","3.4086","0.00004","90","","90","","90","","400.3","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium dithallium(III) oxide","","- O4 Sr Tl2 -","- O4 Sr Tl2 -","- O16 Sr4 Tl8 -","4","0.5","","Michel, C; Hervieu, M; Caignaert, V; Raveau, B","Structure Refinement of the semi-Metallic Oxide SrTl~2~O~4~: a Neutron Diffraction Study","Acta Crystallographica C (39,1983-)","1992","48","","1747","1749","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001541","10.605","0.0009","10.605","0.0009","6.4099","0.0005","90","","90","","90","","720.9","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium silicophosphate *","","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","1","0.125","","Leclaire, A; Borel, M M; Chardon, J; Grandin, A; Raveau, B","A niobium silicophosphate belonging to the niobium phosphate bronzeseries: K~4~Nb~8~P~4~SiO~34~","Acta Crystallographica C (39,1983-)","1992","48","","1744","1747","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001592","9.945","0.001","10.156","0.001","9.974","0.002","90","","97.64","0.01","90","","998.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dithallium tecto-dimolybdo(V)diphosphate","","- Mo2 O11 P2 Tl2 -","- Mo2 O11 P2 Tl2 -","- Mo8 O44 P8 Tl8 -","4","1","","Guesdon, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of Tl~2~Mo~2~P~2~O~11~","Acta Crystallographica C (39,1983-)","1993","49","","1877","1879","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001596","4.7833","0.0006","6.9698","0.0008","7.7644","0.0008","89.41","0.01","87.77","0.01","73.16","0.01","247.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Cadmium divanadium(III) bis(diphosphate)","","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","CdV~2~(P~2~O~7~)~2~","Acta Crystallographica C (39,1983-)","1994","50","","840","842","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001613","9.973","0.002","10.18","0.002","10.012","0.001","90","","97.7","0.01","90","","1007.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium dimolybdenum(V) bis(phosphate) trioxide","","- Mo2 O11 P2 Rb2 -","- Mo2 O11 P2 Rb2 -","- Mo8 O44 P8 Rb8 -","4","1","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","An Mo^V^ monophosphate, Rb~2~Mo~2~P~2~O~11~","Acta Crystallographica C (39,1983-)","1994","50","","1852","1854","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001656","14.192","0.001","6.424","0.001","7.317","0.001","90","","90","","90","","667.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium divanadium(III) oxide diphosphate","","- Ca O9 P2 V2 -","- Ca O9 P2 V2 -","- Ca4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B","Ca V2 O (P O4)2, isotypic with the Cd phase","Acta Crystallographica C (39,1983-)","1995","51","","796","798","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001731","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.3","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Diammonium oxovanadium(IV) vanadophosphate(V)","","- H8 N2 O8 P V2 -","- H10 N2 O8 P1.02 V1.98 -","- H20 N4 O16 P2.04 V3.96 -","2","0.25","","Boudin, S; Grandin, A; Labbe, P; Raveau, B","(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups","Acta Crystallographica C (39,1983-)","1996","52","","2668","2670","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001767","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium molybdenum(III) diphosphate","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","Li Mo P2 O7","Acta Crystallographica C (39,1983-)","1996","52","","1593","1594","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001843","8.022","0.005","8.022","0.005","16.51299","0.009","90","","90","","120","","920.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium trineptunium(IV) fluoride","","- F13 Na Np3 -","- F13 Na Np3 -","- F52 Na4 Np12 -","4","0.166667","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Fluorure de neptunium et de sodium: Na Np3 F13","Acta Crystallographica C (39,1983-)","1983","39","","318","320","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001844","8.455","0.008","8.858","0.009","8.396","0.01","113.83","","116.64","","58.03","","465.2","","","","","","","","","","","","","4","P 1","P 1","1","","Trineptunium(IV) fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2 Np3 O -","- F24 H4 Np6 O2 -","2","2","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O","Acta Crystallographica C (39,1983-)","1983","39","","425","427","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001855","8.6974","0.0007","8.6974","0.0007","22.12299","0.002","90","","90","","120","","1449.3","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Niobium(IV) niobium(V) phosphate(V)","","- Nb2 O12 P3 -","- Nb2 O12 P3 -","- Nb12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3","Acta Crystallographica C (39,1983-)","1989","45","","699","701","","","","","","","0.0347","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001857","8.2648","0.0009","8.2648","0.0009","17.03799","0.001","90","","90","","120","","1007.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Potassium titanium disilicohexaphosphate (1/3/1)","","- K O25 P6 Si2 Ti3 -","- K O25 P6 Si2 Ti3 -","- K2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001858","8.2145","0.0006","8.2145","0.0006","17.24899","0.001","90","","90","","120","","1008","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium titanium disilicohexaphosphate (1/3/1)","","- Cs O25 P6 Si2 Ti3 -","- Cs O25 P6 Si2 Ti3 -","- Cs2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001860","9.1584","0.0005","9.1584","0.0005","12.0404","0.0004","90","","90","","120","","874.6","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Tripotassium tecto-octaniobate","","- K3 Nb8 O21 -","- K3 Nb8 O21 -","- K6 Nb16 O42 -","2","0.0833333","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Single-crystal structure of K3 Nb8 O21","Acta Crystallographica C (39,1983-)","1993","49","","439","441","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001861","9.046","0.001","9.046","0.001","27.883","0.001","90","","90","","120","","1976","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","Potassium calcium siliconiobate *","","- Ca0.75 K6.5 Nb14 O47 Si4 -","- Ca0.75 K6.5001 Nb14 O47 Si4 -","- Ca1.5 K13.0002 Nb28 O94 Si8 -","2","0.0833333","","Borel, M M; Chardon, J; Grandin, A; Leclaire, A; Raveau, B","Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47","Acta Crystallographica C (39,1983-)","1993","49","","570","571","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004072","7.891","0.012","10.39","0.005","10.39","0.005","90","","90","","90","","851.9","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Potassium tetrabromoindate","","- Br4 In K -","- Br4 In K -","- Br16 In4 K4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Abraham, F","Potassium Tetrabromoindate(III), K (In Br~4~)","Acta Crystallographica C (39,1983-)","1984","40","","2006","2007","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005005","9.829","0.001","9.829","0.001","9.829","0.001","90","","90","","90","","949.6","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lithium niobium nitride","","- Li7 N4 Nb -","- Li7 N4 Nb -","- Li56 N32 Nb8 -","8","0.333333","","Vennos, D A; DiSalvo, F J","Structure of lithium niobium nitride","Acta Crystallographica C (39,1983-)","1992","48","","610","612","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005006","3.8862","0.0001","10.2118","0.0002","10.2624","0.0003","90","","90","","90","","407.3","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tritantalum nitride","","- N5 Ta3 -","- N5 Ta3 -","- N20 Ta12 -","4","0.25","","Brese, N E; O'Keefe, M; Rauch, P; DiSalvo, F J","Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction","Acta Crystallographica C (39,1983-)","1991","47","","2291","2294","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005032","6.201","0.0012","10.511","0.002","10.07","0.002","90","","90","","90","","656.3","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tribarium digallium nitride","","- Ba3 Ga2 N4 -","- Ba3 Ga2 N4 -","- Ba12 Ga8 N16 -","4","0.5","","Yamane, H; DiSalvo, F J","Ba3 Ga2 N4","Acta Crystallographica C (39,1983-)","1996","52","","760","761","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007094","15.23","0.01","15.23","0.01","15.23","0.01","90","","90","","90","","3532.6","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Ammonium cerium cyclo-tetraphosphate","","- Ce H4 N O12 P4 -","- Ce H5.33333 N O12 P4 -","- Ce12 H64 N12 O144 P48 -","12","0.25","","Rzaigui, M; Averbuch-Pouchot, M T; Durif, A","Affinement de la Structure du Tetrametaphosphate d'Ammonium et de Cerium, Ce N H~4~ P~4~ O~12~. Relation Entre la Forme Cubique des Composes du Type Ln M^I^ P~4~ O~12~ et le Tetrametaphosphate d'Aluminium Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1983","39","","1612","1613","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007095","9.734","0.002","8.889","0.002","4.963","0.001","90","","108.49","0.05","90","","407.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zinc catena-phosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O24 P8 Zn4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A; Bagieu-Beucher, M","Structure d'un Polyphosphate de Zinc, Zn (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","25","26","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007096","15.98","0.08","7.226","0.005","6.253","0.005","109.49","0.06","84.34","0.07","101.83","0.07","665.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Potassium hydrogendiphosphate (telluric acid) hydrate","","- H9 K3 O14 P2 Te -","- H9 K3 O14 P2 Te -","- H18 K6 O28 P4 Te2 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a potassium diphosphate tellurate hydrate (K~3~ H P~2~ O~7~) (Te (O H)~6~) (H~2~ O)","Acta Crystallographica C (39,1983-)","1983","39","","27","28","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007098","7.788","0.005","7.809","0.005","7.129","0.005","116.69","0.05","103.41","0.05","81.94","0.05","376.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Disodium hydrogencyclo-triphosphate","","- H Na2 O9 P3 -","- H Na2 O9 P3 -","- H2 Na4 O18 P6 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C; Durif, A","Structure d'un Trimetaphosphate Acide de Sodium: Na~2~ H P~3~ O~9~","Acta Crystallographica C (39,1983-)","1983","39","","809","810","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007099","9.838","0.005","9.838","0.005","5.003","0.003","90","","90","","90","","484.2","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Strontium disodium cyclo-tetraphosphate","","- Na2 O12 P4 Sr -","- Na2 O12 P4 Sr -","- Na4 O24 P8 Sr2 -","2","0.125","","Averbuch-Pouchot, M T; Durif, A","Structure d'un Tetrametaphosphate de Sodium-Strontium: Sr Na~2~ P~4~ O~12~","Acta Crystallographica C (39,1983-)","1983","39","","811","812","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007100","18.82","0.004","10.89","0.03","13.925","0.003","90","","90","","90","","2853.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Silver divanadate","","- Ag4 O7 V2 -","- Ag4 O7 V2 -","- Ag64 O112 V32 -","16","2","","Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~","Acta Crystallographica C (39,1983-)","1983","39","","1608","1610","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007135","15.052","0.008","9.234","0.003","14.767","0.008","90","","90.03","0.05","90","","2052.5","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Copper trisodium triphosphate dodecahydrate","","- Cu H24 Na3 O22 P3 -","- Cu H24 Na3 O22 P3 -","- Cu4 H96 Na12 O88 P12 -","4","1","","Jouini, O; Dabbabi, M; Averbuch-Pouchot, MT; Guitel, J C; Durif, A","Structure du Phosphate de Cuivre(II) et de Trisodium Dodecahydrate, Cu Na~3~ P~3~ O~10~ (H~2~ O)~12~","Acta Crystallographica C (39,1983-)","1984","40","","728","730","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007144","9.606","0.005","6.236","0.005","7.738","0.005","90","","109.07","0.05","90","","438.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rubidium dihydrogenphosphate","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~","Acta Crystallographica C (39,1983-)","1985","41","","665","667","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007145","28.57","0.06","10.277","0.005","6.09","0.003","90","","90","","90","","1788.1","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Pentarubidium heptahydrogentetrakis(phosphate)","","- H7 O16 P4 Rb5 -","- H7 O16 P4 Rb5 -","- H28 O64 P16 Rb20 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of pentarubidium heptahydrogentetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1555","1556","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007146","15.455","0.005","15.455","0.005","15.455","0.005","90","","90","","90","","3691.5","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tetracaesium tristrontium dihydrogentris(tetrametaphosphate)","","- Cs4 H2 O36 P12 Sr3 -","- Cs4 H4 O36 P12 Sr3 -","- Cs16 H16 O144 P48 Sr12 -","4","0.0833333","","Averbuch-Pouchot, M T; Durif, A","Cs~4~ Sr~3~ H~2~ (P~4~ O~12~)~3~, a new derivative of Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1985","41","","1557","1558","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007147","11.95","0.01","7.66","0.005","9.658","0.006","90","","92.4","0.01","90","","883.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium trihydrogenarsenate sulfate","","- As H11 N2 O8 S -","- As H5.5 N2 O8 S -","- As4 H22 N8 O32 S4 -","4","1","","Boubia, M; Averbuch-Pouchot, M T; Durif, A","Ordered As O~4~ and S O~4~ tetrahedra in diammonium trihydrogenarsenate sulfate","Acta Crystallographica C (39,1983-)","1985","41","","1562","1564","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007148","9.061","0.003","9.061","0.003","10.284","0.005","90","","90","","90","","844.3","","","","","","","","","","","","","4","I -4","I -4","82","","Tetrapotassium tetrametaphosphate tetrahydrate","","- H8 K4 O16 P4 -","- H8 K4 O16 P4 -","- H16 K8 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of tetrapotassium tetrametaphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1564","1566","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007150","6.644","0.003","7.365","0.004","8.618","0.004","101.62","0.05","109.98","0.05","95.65","0.05","381.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Distrontium tetrametaphosphate hexahydrate","","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of strontium tetrametaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1986","42","","927","928","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007151","11.164","0.006","12.46","0.01","5.622","0.002","90","","90","","90","","782","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Mercury potassium trimetaphosphate","","- Hg K O9 P3 -","- Hg K O9 P3 -","- Hg4 K4 O36 P12 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of mercury potassium trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","930","931","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007152","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of Tetralithium Tetrametaphosphate Pentahydrate","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007153","7.067","0.003","9.071","0.003","9.906","0.004","116.46","0.05","95.97","0.05","74.03","0.05","546.4","","","","","","","","","","","","","5","P -1","-P 1","2","","Barium sodium trimetaphosphate trihydrate","","- Ba H6 Na O12 P3 -","- Ba H6 Na O12 P3 -","- Ba2 H12 Na2 O24 P6 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure du trimataphosphate de barium - sodium trihydrate","Acta Crystallographica C (39,1983-)","1987","43","","390","392","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007159","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetralithium tetrametaphosphate pentahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007160","7.83","0.005","7.347","0.005","10.215","0.008","104.35","0.01","101.81","0.01","94.27","0.01","552.4","","","","","","","","","","","","","3","P -1","-P 1","2","","Trilead tetraphosphate","","- O13 P4 Pb3 -","- O13 P4 Pb3 -","- O26 P8 Pb6 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure of lead tetrapolyphosphate.","Acta Crystallographica C (39,1983-)","1987","43","","631","632","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007163","13.094","0.01","8.365","0.008","15.796","0.012","90","","90","","90","","1730.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Cadmium ditantalum tris(diphosphate)","","- Cd O21 P6 Ta2 -","- Cd O21 P6 Ta2 -","- Cd4 O84 P24 Ta8 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of tantalum cadmium diphosphate, Ta~2~ Cd (P~2~ O~7~)~3~","Acta Crystallographica C (39,1983-)","1987","43","","1861","1863","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007164","8.51","0.005","14.303","0.008","8.487","0.005","90","","96.51","0.02","90","","1026.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrapotassium copper bis(cyclo-triphosphate) tetrahydrate","","- Cu H8 K4 O22 P6 -","- Cu H8 K4 O22 P6 -","- Cu2 H16 K8 O44 P12 -","2","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1987","43","","819","821","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007166","9.466","0.005","9.466","0.005","21.933","0.003","90","","90","","90","","1965.3","","","","","","","","","","","","","4","P 41","P 4w","76","","Tetracaesium cyclo-tetraphosphate tetrahydrate","","- Cs4 H8 O16 P4 -","- Cs4 H8 O16 P4 -","- Cs16 H32 O64 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetracaesium tetrametaphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","131","133","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007167","9.731","0.005","11.43","0.01","17.16","0.01","90","","99.45","0.05","90","","1882.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrapotassium cyclo-tetraphosphate telluric acid dihydrate","","- H10 K4 O20 P4 Te -","- H10 K4 O20 P4 Te -","- H40 K16 O80 P16 Te4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of a new adduct between telluric acid and a condensed phosphate: K~4~ P~4~ O~12~ * Te (O H)~6~ * ~2~ H~2~ O.","Acta Crystallographica C (39,1983-)","1987","43","","1245","1247","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007168","18.42","0.01","10.644","0.005","12.348","0.008","90","","119.76","0.05","90","","2101.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Trisodium tripotassium cyclo-triphosphate telluric acid","","- H6 K3 Na3 O24 P6 Te -","- H6 K3 Na3 O24 P6 Te -","- H24 K12 Na12 O96 P24 Te4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of a new adduct between telluric acid and alkali cyclo-triphosphates: Te (O H)~6~ * Na~3~ P~3~ O~9~ * K~3~ P~3~ O~9~.","Acta Crystallographica C (39,1983-)","1987","43","","1653","1655","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007178","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","0.05","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007179","27.88","0.1","7.536","0.005","7.378","0.005","90","","90","","90","","1550.1","","","","","","","","","","","","","5","P m a 2","P 2 -2a","28","","Calcium disodium cyclo-tetraphosphate 5.5-hydrate","","- Ca H11 Na2 O17.5 P4 -","- Ca H11 Na2 O17.5 P4 -","- Ca4 H44 Na8 O70 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007190","10.365","0.005","9.278","0.004","7.28","0.003","108.39","0.05","100.3","0.05","96.02","0.05","643.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Hydroxylammonium cyclo-hexaphosphate tetrahydrate","","- H32 N6 O28 P6 -","- H32 N6 O28 P6 -","- H32 N6 O28 P6 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2026","2028","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007192","7.767","0.002","10.144","0.003","7.225","0.002","105.17","0.04","102.76","0.04","84.95","0.04","535.6","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicalcium dilithium cyclo-hexaphosphate octahydrate","","- Ca2 H16 Li2 O26 P6 -","- Ca2 H16 Li2 O26 P6 -","- Ca2 H16 Li2 O26 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium dilithium cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1990","46","","968","970","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007193","13.363","0.007","11.58","0.012","6.809","0.005","90","","101.87","0.05","90","","1031.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Disodium tetraammonium cyclo-hexaphosphate dihydrate","","- H20 N4 Na2 O20 P6 -","- H20 N4 Na2 O20 P6 -","- H40 N8 Na4 O40 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1991","47","","932","936","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007194","7.532","0.003","9.752","0.003","8.73","0.003","113.92","0.04","102.29","0.04","85","0.04","572.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetrasodium dirubidium cyclo-hexaphosphate hexahydrate","","- H12 Na4 O24 P6 Rb2 -","- H12 Na4 O24 P6 Rb2 -","- H12 Na4 O24 P6 Rb2 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1991","47","","932","936","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007195","7.413","0.003","9.334","0.004","9.634","0.004","116.23","0.05","107.98","0.05","83.1","","568.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicopper diammonium cyclo-hexaphosphate octahydrate","","- Cu2 H24 N2 O26 P6 -","- Cu2 H48 N2 O26 P6 -","- Cu2 H48 N2 O26 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XI.Structure of ammoniumcopper cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1148","1150","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007196","8.408","0.002","7.602","0.002","7.566","0.002","107.47","0.03","106.09","0.03","72.64","0.03","430.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetrasilver dilithium cyclo-hexaphosphate dihydrate","","- Ag4 H4 Li2 O20 P6 -","- Ag4 H8 Li2 O20 P6 -","- Ag4 H8 Li2 O20 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XIII.Structure of silver lithium cyclo-hexaphosphate dihydrate","Acta Crystallographica C (39,1983-)","1991","47","","1150","1152","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007197","11.222","0.008","8.077","0.006","11.731","0.009","111.11","0.02","104.66","0.02","83.25","0.02","959.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Rubidium cyclo-hexaphosphate tris(hexahydrogentellurate) trihydrate","","- H26 O40 P6 Rb6 Te3 -","- H26 O40 P6 Rb6 Te3 -","- H26 O40 P6 Rb6 Te3 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1576","1579","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007198","8.175","0.008","7.926","0.008","8.457","0.007","105.05","0.02","102.08","0.02","86.42","0.02","517.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dihydrazinium dihydrazinedium cyclo-hexaphosphate","","- H22 N8 O18 P6 -","- H22 N8 O18 P6 -","- H22 N8 O18 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates.XVIII.Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate","Acta Crystallographica C (39,1983-)","1991","47","","1579","1583","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","186520","2020-10-21","18:00:00",""
"1007199","20.98","0.02","7.227","0.003","17.44","0.01","90","","119.56","0.03","90","","2300.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium cyclo-hexaphosphate octahydrate","","- Ba3 H16 O26 P6 -","- Ba3 H16 O26 P6 -","- Ba12 H64 O104 P24 -","4","0.5","","Rzaigui, M; Averbuch-Pouchot, M; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1992","48","","241","243","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007200","17.254","0.005","7.543","0.001","23.465","0.005","90","","90","","90","","3053.9","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Nonasilver sodium cyclo-octaphosphate bis(nitrate) tetrahydrate","","- Ag9 H8 N2 Na O34 P8 -","- Ag9 H8 N2 Na O34 P8 -","- Ag36 H32 N8 Na4 O136 P32 -","4","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of nonasilver sodium cyclooctaphosphate dinitrate tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~ . 4H~2~O","Acta Crystallographica C (39,1983-)","1992","48","","1173","1176","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007206","7.332","0.005","7.663","0.005","14.408","0.008","90","","90","","90","","809.5","","","","","","","","","","","","","5","I 2 m m","I -2 2","44","","Disodium strontium cyclo-tetraphosphate hexahydrate","","- H12 Na2 O18 P4 Sr -","- H12 Na2 O18 P4 Sr -","- H24 Na4 O36 P8 Sr2 -","2","0.25","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure of Disodium Strontium Tetrametaphosphate Hexahydrate, Sr Na~2~ P~4~ O~12~ (H~2~ O)~6~","Acta Crystallographica C (39,1983-)","1983","39","","812","813","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1007210","15.146","0.006","11.049","0.006","12.189","0.006","117.15","0.04","109.72","0.04","90.54","0.04","1675.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium cyclo-octaphosphate - telluric acid dihydrate (1/1)","","- H42 N8 O32 P8 Te -","- H42 N8 O32 P8 Te -","- H84 N16 O64 P16 Te2 -","2","1","","Averbuch-Pouchot, M - T; Durif, A","Ammonium cyclo-octaphosphate-telluric acid dihydrate adduct","Acta Crystallographica C (39,1983-)","1993","49","","361","363","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007219","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium cyclo-tetraphosphate octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007248","11.549","0.005","11.549","0.005","9.114","0.005","90","","90","","120","","1052.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium tetracaesium hexakis(phosphate(V))","","- Ba Cs4 O18 P6 -","- Ba Cs4 O18 P6 -","- Ba2 Cs8 O36 P12 -","2","0.333333","","Averbuch-Pouchot, M T; Durif, A","Structure of monobarium tetracaesium polyphosphate","Acta Crystallographica C (39,1983-)","1986","42","","928","930","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007249","13.084","0.005","13.084","0.005","34.79999","0.02","90","","90","","120","","5159.3","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Potassium cyclo-hexaphosphate(V) bis(hexahydrogentellurate) trihydrate","","- H18 K6 O33 P6 Te2 -","- H31 K6 O33 P6 Te2 -","- H186 K36 O198 P36 Te12 -","6","0.166667","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1576","1579","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007259","11.813","0.008","7.292","0.003","20.2","0.08","90","","105.19","0.05","90","","1679.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraammonium sodium triphosphate(V) tetrahydrate","","- H24 N4 Na O14 P3 -","- H24 N4 Na O14 P3 -","- H96 N16 Na4 O56 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of tetraammonium monosodium triphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1553","1555","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007260","20.29799","0.02","8.73","0.003","8.766","0.003","90","","109.98","0.06","90","","1459.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tribarium dibismuth tetrakis(phosphate(V))","","- Ba3 Bi2 O16 P4 -","- Ba3 Bi2 O16 P4 -","- Ba12 Bi8 O64 P16 -","4","0.5","","Masse, R; Durif, A","Structure of tribarium dibismuth tetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1717","1718","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007261","13.524","0.008","8.362","0.005","14.39","0.008","90","","92.58","0.05","90","","1625.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diammonium disodium mercury bis(triphosphate(V))","","- H8 Hg N2 Na2 O18 P6 -","- H12 Hg0.9999 N2 Na2.0001 O18 P6 -","- H48 Hg3.9996 N8 Na8.0004 O72 P24 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of diammonium disodium mercury(II) trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","932","933","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008202","11.16","","11.16","","17.86","","90","","90","","120","","1926.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaammonium cyclo-triphosphate telluric acid","","- H30 N6 O24 P6 Te -","- H30 N6 O24 P6 Te -","- H90 N18 O72 P18 Te3 -","3","0.166667","","Boudjada, N; Boudjada, A; Guitel, J C","Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~","Acta Crystallographica C (39,1983-)","1983","39","","656","658","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008218","15.43","0.01","5.512","0.005","13.72","0.01","90","","108.53","0.05","90","","1106.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Lithium potassium catena-phosphate","","- K Li O6 P2 -","- K Li O6 P2 -","- K8 Li8 O48 P16 -","8","2","","El Horr, N; Bagieu, M; Tordjman, I","Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","1597","1599","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008240","12.372","0.008","10.438","0.008","8.191","0.005","90","","92.32","0.05","90","","1056.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mercury dipotassium dichloride dichromate","","- Cl2 Cr2 Hg K2 O7 -","- Cl2 Cr2 Hg K2 O7 -","- Cl8 Cr8 Hg4 K8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008241","14.891","0.005","7.604","0.005","9.62","0.006","90","","96.02","0.05","90","","1083.3","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mercury diammonium dichloride dichromate","","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl8 Cr8 H32 Hg4 N8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008305","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008306","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008307","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008308","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008309","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008310","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008336","19.44","0.005","19.027","0.005","13.222","0.005","90","","90","","90","","4890.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium caesium polyphosphate","","- Cs Li O6 P2 -","- Cs Li O6 P2 -","- Cs32 Li32 O192 P64 -","32","2","","El-Horr, N; Bagieu, M","Structure d'un polyphosphate mixte de lithium et de cesium: LiCs(PO~3~)~2~","Acta Crystallographica C (39,1983-)","1987","43","","603","605","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008368","7.279","0.002","13.984","0.008","17.071","0.004","90","","90.42","0.02","90","","1737.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricaesium cyclo-triphosphate telluric acid hydrate","","- Cs3 H8 O16 P3 Te -","- Cs3 H8 O16 P3 Te -","- Cs12 H32 O64 P12 Te4 -","4","1","","Averbuch-Pouchot, M T","Structure of a new adduct between telluric acid and a condensed phosphate: (Cs~3~ P~3~ O~9~) (Te (O H)~6~ (H~2~ O)).","Acta Crystallographica C (39,1983-)","1988","44","","1166","1168","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008370","13.984","0.009","8.297","0.006","15.81","0.01","90","","99.11","0.01","90","","1811.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ammonium) molybdenyl diphosphate","","- H8 Mo N2 O9 P2 -","- H4 Mo N2 O9 P2 -","- H32 Mo8 N16 O72 P16 -","8","1","","Averbuch-Pouchot, M T","Structure of an ammonium molybdenyl diphosphate (N H~4~)~2~ Mo O~2~ P~2~ O~7~","Acta Crystallographica C (39,1983-)","1988","44","","2046","2048","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008427","13.486","0.002","10.688","0.001","6.8616","0.0007","90","","90","","90","","989","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Caesium titanium oxide arsenate","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","","Protas, J; Marnier, G; Boulanger, B; Menaert, B","Structure cristalline de Cs Ti O (As O~4~)","Acta Crystallographica C (39,1983-)","1989","45","","1123","1125","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008428","15.753","0.006","15.753","0.006","15.753","0.006","90","","90","","90","","3909.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Potassium cyclo-hexaphosphate","","- K6 O18 P6 -","- K6 O18 P6 -","- K48 O144 P48 -","8","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous potassium cyclo-hexaphosphate","Acta Crystallographica C (39,1983-)","1989","45","","1273","1275","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008433","7.286","0.005","9.761","0.007","10.026","0.006","118.31","0.05","110.62","0.05","86.27","0.05","583","","","","","","","","","","","","","5","P -1","-P 1","2","","Dilithium dimanganese cyclo-hexaphosphate decahydrate","","- H20 Li2 Mn2 O28 P6 -","- H40 Li2 Mn2 O28 P6 -","- H40 Li2 Mn2 O28 P6 -","1","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. III. Structure of dilithium dimanganese cyclo-hexaphosphate decahydrate","Acta Crystallographica C (39,1983-)","1989","45","","1856","1858","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008454","12.821","","12.537","0.006","7.029","0.002","90","","90","","90","","1129.8","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Dicalcium diammonium cyclo-hexaphosphate hexahydrate","","- Ca2 H20 N2 O24 P6 -","- Ca2 H20 N2 O24 P6 -","- Ca4 H40 N4 O48 P12 -","2","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-Hexaphosphates. XII. Structure of Ammonium Calcium cyclo-Hexaphosphate Hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2005","2007","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1008460","3.7541","0.0001","5.7442","0.0001","11.3019","0.0002","90","","90","","90","","243.7","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dierbium barium catena-niccolate","","- Ba Er2 Ni O5 -","- Ba Er2 Ni O4.99 -","- Ba2 Er4 Ni2 O9.98 -","2","0.125","","Alonso, J A; Amador, J; Rasines, I; Soubeyroux, J L","Er~2~BaNiO~5~: Structure refinement using neutron powder diffraction data","Acta Crystallographica C (39,1983-)","1991","47","","249","251","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008480","7.709","0.001","11.028","0.006","9.231","0.002","108.25","0.05","110.06","0.05","79.77","0.05","697.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicadmium disodium cyclo-hexaphosphate 14-hydrate","","- Cd2 H28 Na2 O32 P6 -","- Cd2 H56 Na2 O32 P6 -","- Cd2 H56 Na2 O32 P6 -","1","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. V. Structure of cadmium sodium cyclo-hexaphosphate tetradecahydrate","Acta Crystallographica C (39,1983-)","1990","46","","10","13","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008494","12.062","0.001","14.679","0.001","11.816","0.001","90","","97.31","0.01","90","","2075.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetracarbonylbis(pentacarbonylrhenio)iron","","- C14 Fe O14 Re2 -","- C14 Fe O14 Re2 -","- C56 Fe4 O56 Re8 -","4","0.5","","Agron, P A; Ellison, R D; Levy, H A","Structure of iron dirhenium tetradecacarbonyl, (Re(CO)~5~Fe(CO)~4~Re(CO)~5~)","Acta Crystallographica C (39,1983-)","1991","47","","913","916","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008496","19.052","0.01","19.052","0.01","19.052","0.01","90","","90","","90","","6915.5","","","","","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","Dichromium cyclo-hexaphosphate 21-water","","- Cr2 H42 O39 P6 -","- Cr2 H75.75 O39 P6 -","- Cr16 H606 O312 P48 -","8","0.333333","","Bagieu-Bacher, M; Averbuch-Pouchot, M T; Rzaigui, M","Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium cyclo-hexaphosphate henicosahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1364","1366","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008497","12.45","0.008","12.755","0.008","8.154","0.006","90","","90","","90","","1294.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ammonium cyclo-trithiohexaoxotriphosphate","","- H12 N3 O6 P3 S3 -","- H12 N3 O6 P3 S3 -","- H48 N12 O24 P12 S12 -","4","0.5","","Meisel, M; Wolf, G U; Averbuch-Pouchot, M T","Structure of ammonium trithio-cyclo-triphosphate","Acta Crystallographica C (39,1983-)","1991","47","","1368","1370","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1008552","7.275","0.002","9.452","0.001","13.569","0.002","90","","90","","90","","933","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dicaesium oxotitanium diphosphate","","- Cs2 O8 P2 Ti -","- Cs2 O8 P2 Ti -","- Cs8 O32 P8 Ti4 -","4","1","","Protas, J; Menaert, B; Marnier, G; Boulanger, B","Structure cristalline de Cs~2~TiO(P~2~O~7~)","Acta Crystallographica C (39,1983-)","1991","47","","698","701","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008577","8.9018","0.0002","8.9018","0.0002","22.2021","0.0006","90","","90","","120","","1523.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008578","8.892","0.001","8.892","0.001","22.19","0.001","90","","90","","120","","1519.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008807","12.555","0.002","6.258","0.002","10.554","0.002","90","","90","","90","","829.2","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)","","- K0.008 Na0.992 O5 P Ti -","- K0.008 Na0.992 O5 P Ti -","- K0.064 Na7.936 O40 P8 Ti8 -","8","2","","Dahaoui, S; Hansen, N K; Menaert, B","Na Ti O P O4 and K Ti O P O4 at 110 K","Acta Crystallographica C (39,1983-)","1997","53","","1173","1176","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008827","9.3938","0.0008","9.3938","0.0008","6.9013","0.0005","90","","90","","120","","527.4","","","","","","","","","","","","exchanged) - synthetic","6","P 63/m","-P 6c","176","","Calcium neodymium phosphate(V) silicate fluoride oxide (9/1/5/1/1.5/0.25)","Britholite (N","- Ca9 F1.5 Nd O24.25 P5 Si -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","1","0.0833333","","Boyer, L; Savariault, J-M; Carpena, J; Lacout, J-L","A neodymium-substituted britholite compound","Acta Crystallographica C (39,1983-)","1998","54","","1057","1057","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008828","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dilead(II) diiron(III) digermanium(IV) oxide","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","TA1174","Barbier, J; Levy, D","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","1","2","5","10.1107/S0108270197012687","","","0.56086","AgKα","","0.032","0.0317","","","","0.0633","","","","0.926","0.926","0.868","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008829","8.8978","0.0003","13.7057","0.0004","7.5532","0.0002","90","","115.867","0.001","90","","828.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Potassium iron trigermanate","","- Fe Ge3 K O8 -","- Fe Ge3 K O8 -","- Fe4 Ge12 K4 O32 -","4","0.5","","Levy, D; Barbier, J","A sanidine feldspar analogue: K Fe Ge3 O8","Acta Crystallographica C (39,1983-)","1998","54","8","1","1","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008850","15.445","0.01","15.445","0.01","7.553","0.007","90","","90","","120","","1560.4","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Hexaammonium cyclo-hexaphosphate(V) hydrate","","- H26 N6 O19 P6 -","- H26 N6 O19 P6 -","- H78 N18 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Structure of ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","539","540","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008854","15.172","0.005","15.172","0.005","13.994","0.005","90","","90","","120","","2789.7","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Trisilver triammonium cyclo-hexaphosphate(V) hydrate","","- Ag3 H14 N3 O19 P6 -","- Ag3 H26.3335 N3 O19 P6 -","- Ag18 H158.001 N18 O114 P36 -","6","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. XIV.Structure of silver ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1991","47","","930","932","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008945","9.82","0.008","9.973","0.006","17.87","0.01","90.14","0.02","90.01","0.01","119.46","0.04","1523.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Thallium phosphate hydrate *","","- H23.5 O36.5 P8 Tl3.5 -","- H21.25 O36.5 P8 Tl3.5 -","- H42.5 O73 P16 Tl7 -","2","1","","Chiadmi, M; Vicat, J; Tran Qui, D; Boudjada, A","Structure de l'orthophosphate acide de thallium a valence mixte, (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4","Acta Crystallographica C (39,1983-)","1985","41","","811","814","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008946","13.753","0.005","13.818","0.005","11.865","0.005","90","","90.34","0.05","90","","2254.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium potassium bis(catena-phosphate(V))","","- K Li O6 P2 -","- K Li O6 P2 -","- K16 Li16 O96 P32 -","16","2","","El Horr, N; Bagieu, M","Structure de la forme de haute temperature du polyphosphate de lithium et de potassium: Li K (P O3)2","Acta Crystallographica C (39,1983-)","1985","41","","1157","1159","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100044","3.8227","0.0001","3.8227","0.0001","6.2607","0.0001","90","","90","","120","","79.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Zinc sulfide","Wurtzite","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Kisi, E. H.; Elcombe, M. M.","u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction","Acta Crystallographica Section C","1989","45","12","1867","1870","10.1107/S0108270189004269","","","","","","0.0575","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:31:04",""
"1100078","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100079","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100907","10.7589","0.0009","17.8696","0.0017","22.667","0.0018","90","","90","","90","","4357.9","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acidd","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C204 H180 N12 O48 -","12","3","","Brady, Fiona; Gallagher, John F.","Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid","Acta Crystallographica, Section C","2000","56","","1407","1410","10.1107/S010827010001163X","","","0.7107","MoKα","","0.086","0.045","","","","0.116","","","","","","1.02","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100908","15.922","0.002","5.7331","0.0008","21.341","0.003","90","","91.097","0.011","90","","1947.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II)","","- C18 H22 Cu N2 O5 -","- C18 H22 Cu N2 O5 -","- C72 H88 Cu4 N8 O20 -","4","0.5","","Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen","Aquabis(crotonato)bis(pyridine)copper(II)","Acta Crystallographica Section C","2000","56","11","e505","e506","10.1107/S0108270100013937","","","0.71073","MoKα","","0.041","0.031","","","","0.082","","","","","","1.068","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1100910","7.496","0.001","6.308","0.001","10.125","0.002","90","","100.11","0.01","90","","471.32","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth(V)iron(III) oxophosphate","Bismuth(V) iron(III) tris(phosphate) oxide","","- Bi0.4 Fe3 O13 P3 -","- Bi0.4 Fe3 O13 P3 -","- Bi0.8 Fe6 O26 P6 -","2","0.5","","Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.","Bismuth(V) iron(III) tris(phosphate) oxide","Acta Crystallographica, Section C","2000","56","","1292","1293","10.1107/S010827010000977X","","","0.71073","MoKα","","0.099","0.058","","","","0.128","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100911","6.207","0.003","11.915","0.005","15.583","0.006","90","","90","","90","","1152.5","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.02","0.019","","","","0.051","","","","","","1.227","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100912","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","1","11","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.025","0.02","","","","0.054","","","","","","1.081","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100913","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","","15","","","","","","","","","7","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 H1.1 D2.9 Fe N6 Na2 O3 -","- C5 H1.102 D2.898 Fe N6 Na2 O3 -","- C20 H4.408 D11.592 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","neutron","","pulsedneutron","","","0.058","","","0.051","","","","3.75","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100916","5.5462","0.0003","5.6028","0.0004","15.6365","0.0013","90","","90","","90","","485.9","0.06","292","1","","","","","","","","","","3","P b c m","-P 2c 2b","57","","silver niobate","","- Ag Nb O3 -","- Ag Nb O3 -","- Ag8 Nb8 O24 -","8","1","","Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav","Structural study of AgNbO~3~ at room temperature","Acta Crystallographica, Section C","2000","56","","916","918","10.1107/S0108270100006806","","","0.71073","MoKα","","","0.034","","","","0.053","","","2.69","","","2.84","","","","has coordinates","134621","2020-10-21","18:00:00",""
"1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2000000","8.243","0.002","10.368","0.003","11.497","0.003","111.64","0.01","107.94","0.01","93.45","0.01","851.974","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H44 Co Nd2 O26 -","- C16 H44 Co Nd2 O26 -","- C16 H44 Co Nd2 O26 -","1","0.5","PA0193","A. Gonzalez; A. Beltran; A. le Bail","Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II)","Acta Crystallographica Section C","1991","47","","1624","1627","10.1107/S0108270191002184","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2000007","7.257","0.003","14.474","0.006","19.88","0.01","90","","103.38","0.04","90","","2031.5","1.6","","","250","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-Methyltrachelogenin","3,4-Bis[(3,4-dimethoxyphenyl)methyl]-3-hydoxydihydro-2(3H)-furanone","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","PA0040","K. Khamlach; R. Dhal; E. Brown; M. Leblanc; G. Ferey","Room-temperature structure of (±)-methyltrachelogenin","Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.","1989","45","","1746","1748","10.1107/S0108270189004403","","","","","","","0.051","","","0.051","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000109","17.863","0.015","15.317","0.013","13.109","0.01","90","","90","","90","","3586.72","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","strontium ethylenediammonium cyclo-tetraphosphate hydrate","","- C2 H20 N2 O17 P4 Sr -","- C2 H20 N2 O17 P4 Sr -","- C16 H160 N16 O136 P32 Sr8 -","8","1","","M. Bagieu-Beucher; A. Durif; J. C. Guitel","Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate","Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.","1988","44","","2063","2065","10.1107/S0108270188008479","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000136","16.42","0.005","8.545","0.002","19.001","0.004","90","","90.3","0.01","90","","2666","1.2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C11 H12 Cl2 Cu N2 O3 -","- C11 H12 Cl2 Cu N2 O3 -","- C88 H96 Cl16 Cu8 N16 O24 -","8","2","MU0245","Koman, M.; Baran, P.; Valigura, D.","Structure of (2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II), [Cu(bpyO~2~)(MeOH)Cl~2~]","Acta Crystallographica Section C","1991","47","12","2529","2531","10.1107/S0108270191007424","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000137","11.341","0.001","16.551","0.001","16.429","0.001","90","","92.11","0.006","90","","3081.7","0.4","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C20 H20 Co3 I In N O12 -","- C20 H20 Co3 I In N O12 -","- C80 H80 Co12 I4 In4 N4 O48 -","4","1","MU0266","Clarkson, L. M.; Farrugia, L. J.; Norman, N. C.","Structure of [Et~4~N][InI{Co(CO)~4~}~3~]","Acta Crystallographica Section C","1991","47","12","2525","2526","10.1107/S0108270191007795","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000138","9.2","0.001","8.658","0.001","12.654","0.001","90","","98.82","0.01","90","","996.02","0.18","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H18 N8 Ni O6 -","- C16 H18 N8 Ni O6 -","- C32 H36 N16 Ni2 O12 -","2","0.5","AB0218","Ciunik, Z.; Wolny, J. A.; Rudolf, M. F.","Structure of bis(1-ethyl-3-<i>p</i>-nitrophenyltriazene 1-oxide)nickel(II)","Acta Crystallographica Section C","1991","47","12","2539","2541","10.1107/S0108270191006613","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000139","17.992","0.002","10.612","0.001","9.373","0.001","90","","94.22","0.02","90","","1784.7","0.3","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","","","","","- C16 H12 As F6 O4 S2 -","- C20 H20 As F12 O4 S2 -","- C80 H80 As4 F48 O16 S8 -","4","0.5","AB0221","Noreland, J.; Olovsson, G.; Olovsson, I.","Structure of the organic semiconducting radical cation salt [2,3;7,8-bis(ethylenedioxy)thianthrene] hexafluoroarsenate","Acta Crystallographica Section C","1991","47","12","2542","2545","10.1107/S0108270191007849","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000140","10.973","0.001","11.875","0.001","14.211","0.001","108.03","0.01","105.41","0.01","100.92","0.01","1621.3","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N4 Rh -","- C37 H47 N4 Rh -","- C74 H94 N8 Rh2 -","2","1","AS0498","Whang, D.; Kim, K.","Structure of a new form of octaethylporphyrinato(methyl)rhodium(III)","Acta Crystallographica Section C","1991","47","12","2547","2550","10.1107/S0108270191008053","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2000141","6.455","0.009","19.99","0.006","16.43","0.01","90","","101.4","1","90","","2078","8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C18 H28 N4 S Se2 -","- C18 H28 N4 S Se2 -","- C72 H112 N16 S4 Se8 -","4","1","HU0351","Billing, D. G.; Boeyens, J. C. A.; Denner, L.; Hellyar, M. D.; Lai, L.-L.; Matthee, A. J.; Reid, D. H.","Structure of 2,3-dicyclohexyl-6,7-dihydro-5<i>H</i>-2aλ^4^-thia-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(2<i>H</i>)-diselone","Acta Crystallographica Section C","1991","47","12","2564","2567","10.1107/S0108270191004262","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000142","5.163","0.002","23.472","0.013","5.458","0.003","90","","97.08","0.04","90","","656.4","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","LI0070","Fawcett, S. M.; Sawyer, L.; Blake, A. J.","Structure of β-ammoniumpropionitrile hemifumarate","Acta Crystallographica Section C","1991","47","12","2569","2572","10.1107/S0108270191004420","","","1.54179","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000143","7.1026","0.0009","9.404","0.002","21.372","0.002","90","","108.246","0.009","90","","1355.7","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H10 N6 O5 -","- C12 H10 N6 O5 -","- C48 H40 N24 O20 -","4","1","HE0016","Peters, D. A.; Beddoes, R. L.; Allway, P. A.; Joule, J. A.","Structure of 3-methoxypyrazine-2-carbaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","1991","47","12","2588","2591","10.1107/S0108270191005942","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000144","30.638","0.006","6.234","0.002","15.262","0.003","90","","93.95","0.02","90","","2908.1","1.2","","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","CR0326","Czerwinski, E. W.","Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate","Acta Crystallographica Section C","1991","47","12","2598","2603","10.1107/S0108270191006200","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000145","26.331","0.002","9.472","0.001","8.311","0.001","90","","92.5","0.01","90","","2070.9","0.4","","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","- C80 H88 Br8 N8 O16 -","4","1","HA0043","Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P.","Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~","Acta Crystallographica Section C","1991","47","12","2615","2618","10.1107/S0108270191006534","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000146","4.301","0.001","22.832","0.003","16.531","0.002","90","","95.09","0.01","90","","1616.9","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C18 H15 Cl O6 -","- C18 H15 Cl O6 -","- C72 H60 Cl4 O24 -","4","1","HA0068","Blaser, D.; Stoeckli-Evans, H.","Structure of pannarin: a natural depsidone","Acta Crystallographica Section C","1991","47","12","2624","2626","10.1107/S010827019100776X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000147","11.219","0.008","12.136","0.007","12.324","0.007","90","","90","","90","","1678","1.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA0047","Van Meervelt, L.","Structure of 3',5'-di-<i>O</i>-acetyl-<i>N</i>^4^-methoxycytosine","Acta Crystallographica Section C","1991","47","12","2635","2637","10.1107/S0108270191007187","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000148","8.021","0.001","9.952","0.002","7.995","0.002","103.05","0.02","104.37","0.01","90.08","0.01","601.2","0.2","","","","","","","","","","","","2","P -1","-P 1","2","","","","- I4 Te4 -","- I4 Te4 -","- I8 Te8 -","2","1","HE0011","Cai, G.-L.; Liu, S.-X.; Huang, J.-L.","High-temperature synthesis and structure redetermination of Te~4~I~4~","Acta Crystallographica Section C","1991","47","12","2642","2644","10.1107/S0108270191005656","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000149","9.087","0.003","9.087","0.003","9.087","0.003","115.73","0.03","115.73","0.03","115.73","0.03","390.6","0.8","","","","","","","","","","","","4","R -3 :R","-P 3*","","","","","- C Ag N O -","- C Ag N O -","- C6 Ag6 N6 O6 -","6","1","CR0363","Britton, D.","A redetermination of the trigonal silver fulminate structure","Acta Crystallographica Section C","1991","47","12","2646","2647","10.1107/S0108270191008855","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000150","8.966","0.002","14.552","0.005","13.085","0.004","90","","90","","90","","1707.2","0.9","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C19 H15 N S Sn -","- C19 H15 N S Sn -","- C76 H60 N4 S4 Sn4 -","4","1","AS0502","Khoo, L. E.; Chen, X.-M.; Mak, T. C. W.","Structure of a new form of triphenyltin(IV) isothiocyanate","Acta Crystallographica Section C","1991","47","12","2647","2649","10.1107/S0108270191007710","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000151","10.188","0.008","11.202","0.009","9.22","0.005","99.92","0.06","113.39","0.05","68.31","0.07","897","1.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H62 Li2 O4 -","- C36 H62 Li2 O4 -","- C36 H62 Li2 O4 -","1","0.5","MU0264","Kociok-Köhn, G.; Pickardt, J.; Schumann, H.","Structure of dimeric lithium 2,6-di-<i>tert</i>-butylphenoxide–diethyl ether (1/1)","Acta Crystallographica Section C","1991","47","12","2649","2651","10.1107/S0108270191007783","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000152","8.379","0.001","8.379","0.001","15.832","0.004","90","","90","","90","","1111.5","0.3","","","","","","","","","","","","6","P n n m","-P 2 2n","","","","","- C20 H16 Cu F6 N2 O4 -","- C40 Cu2 F24 N4 O8 -","- C40 Cu2 F24 N4 O8 -","1","0.125","LI0072","Yu, K.-B.; Gou, S.-H.; You, X.-Z.; Xu, Z.","Structure of <i>catena</i>-poly{bis(1,1,1-trifluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')copper-μ-[(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>']}","Acta Crystallographica Section C","1991","47","12","2653","2654","10.1107/S0108270191007928","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000153","5.726","0.001","12.302","0.002","17.01","0.002","90","","97.92","0.01","90","","1186.8","0.3","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C2 H17 N Ni O12 S -","- C2 H17 N Ni O12 S -","- C8 H68 N4 Ni4 O48 S4 -","4","1","AB0219","Peterková, J.; Podlahová, J.; Loub, J.; Mička, Z.","Structure of pentaaqua(glycine)nickel(II) sulfate monohydrate","Acta Crystallographica Section C","1991","47","12","2664","2666","10.1107/S0108270191006625","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000154","14.941","0.005","7.05","0.001","24.832","0.004","90","","90.48","0.02","90","","2615.6","1","","","","","","","","","","","","6","A 1 2/a 1","","","","","","- C22 H26 N4 O2 P2 S4 -","- C22 H26 N4 O2 P2 S4 -","- C88 H104 N16 O8 P8 S16 -","4","0.5","AB0216","Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J.","Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[<i>a</i>,<i>h</i>]anthracene","Acta Crystallographica Section C","1991","47","12","2676","2677","10.1107/S010827019100639X","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2000155","8.717","0.002","6.927","0.001","10.95","0.002","90","","113.01","0.02","90","","608.6","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(11aS)-1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione dihydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","LI0076","Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.","Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines","Acta Crystallographica Section C","1991","47","12","2678","2680","10.1107/S0108270191005966","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000156","6.633","0.001","13.435","0.002","19.246","0.002","90","","90","","90","","1715.1","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","(2R,11aS)-2,8-Diacetoxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","LI0076","Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.","Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines","Acta Crystallographica Section C","1991","47","12","2678","2680","10.1107/S0108270191005966","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205891","2020-10-21","18:00:00",""
"2000157","27.89","0.02","6.327","0.002","22.04","0.01","90","","114.65","0.04","90","","3535","3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C128 H208 N16 O48 -","16","2","LI0082","Michael, J. P.; Maqutu, T. L.; Denner, L.","Structure of (±)-<i>exo</i>-6-methyl-<i>endo</i>-6-nitrobicyclo[2.2.1]heptan-<i>exo</i>-2-ol","Acta Crystallographica Section C","1991","47","12","2680","2682","10.1107/S010827019100793X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000158","21.713","0.005","13.524","0.004","7.259","0.002","90","","95.2","0.02","90","","2122.8","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","AS0496","Mori, Y.; Maeda, K.","2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone","Acta Crystallographica Section C","1991","47","12","2682","2683","10.1107/S0108270191007485","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000159","9.524","0.001","11.8187","0.0008","12.615","0.001","66.512","0.007","83.321","0.009","88.758","0.008","1293","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O10 -","- C26 H28 N2 O10 -","- C52 H56 N4 O20 -","2","1","CR0348","Ammon, H. L.; DeShong, P.; Simpson, D.","Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(oxopropyl)-7-<i>O</i>-(phenylmethyl)-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)","Acta Crystallographica Section C","1991","47","12","2693","2695","10.1107/S010827019100625X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000160","5.826","0.001","8.862","0.001","12.517","0.002","100.29","0.01","102.67","0.01","104.22","0.01","592.44","0.16","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 O2 P2 -","- C28 H28 O2 P2 -","- C28 H28 O2 P2 -","1","0.5","LI0086","Fontes, M. R. M.; Oliva, G.; Zukerman-Schpector, J.; Queiroz, S. L.; Batista, A. A.","Structure of 1,4-bis(diphenylphosphinoyl)butane","Acta Crystallographica Section C","1991","47","12","2699","2700","10.1107/S0108270191007205","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000161","9.389","0.005","35.542","0.007","8.899","0.004","90","","114.25","0.03","90","","2708","2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 O5 Si -","- C27 H42 O5 Si -","- C108 H168 O20 Si4 -","4","1","AS0503","Sakai, Y.; Kojima, Y.; Ohashi, Y.; Morihira, K.; Furukawa, T.; Horiguchi, Y.; Kuwajima, I.","Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,11<i>R</i>*,12<i>S</i>*)-5,6,11,12-tetrahydro-4,11,12-trimethoxy-9,13,13-trimethyl-5-(triethylsiloxy)-6,10-methano-8(7<i>H</i>)benzocyclodecenone","Acta Crystallographica Section C","1991","47","12","2700","2702","10.1107/S0108270191007916","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000162","7.0329","0.0007","9.983","0.002","22.644","0.006","90","","90","","90","","1589.8","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H20 Cl2 O3 -","- C14 H20 Cl2 O3 -","- C56 H80 Cl8 O12 -","4","1","LI0087","Zukerman-Schpector, J.; Castellano, E. E.; Brocksom, T. J.; Moreira, L. A.","Structure and absolute configuration of (3<i>S</i>)-[(1<i>S</i>,2<i>R</i>,4<i>S</i>)-2-acetoxy-4-methyl-1-cyclohexyl]-2,2-dichloro-3-methylcyclobutanone","Acta Crystallographica Section C","1991","47","12","2706","2708","10.1107/S0108270191007941","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000163","15.108","0.003","4.636","0.001","28.819","0.003","90","","98.62","0.01","90","","1995.7","0.6","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C6 H16 N O6 P -","- C6 H16 N O6 P -","- C48 H128 N8 O48 P8 -","8","1","MU0267","Macíček, J.; Vladkova, T.","Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate","Acta Crystallographica Section C","1991","47","12","2709","2711","10.1107/S0108270191007801","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000164","19.423","0.005","8.478","0.005","18.327","0.005","90","","90.67","0.02","90","","3018","2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C18 H16 O1.5 P -","- C18 H16 O1.5 P -","- C144 H128 O12 P8 -","8","1","CR0323","Baures, P. W.","Monoclinic triphenylphosphine oxide hemihydrate","Acta Crystallographica Section C","1991","47","12","2715","2716","10.1107/S0108270191004018","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","178231","2020-10-21","18:00:00",""
"2000165","7.6025","0.001","13.948","0.002","14.428","0.003","90","","90","","90","","1529.9","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","ST0498","Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate","Acta Crystallographica Section C","1991","47","12","2727","2729","10.1107/S0108270191004171","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000166","7.887","0.0007","7.815","0.0009","27.478","0.004","90","","91.229","0.01","90","","1693.3","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","ST0499","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","1,3-Bis(2,6-dimethoxyphenyl)butenyne","Acta Crystallographica Section C","1991","47","12","2729","2731","10.1107/S0108270191004183","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000167","11.4064","0.0007","13.098","0.002","20.848","0.002","90","","90","","90","","3114.7","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","ST0501","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate","Acta Crystallographica Section C","1991","47","12","2731","2733","10.1107/S0108270191004195","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000168","16.23","0.01","5.88","0.01","29.88","0.02","90","","96.61","0.07","90","","2833","5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C16 H17.76 N O5.38 -","- C16 H17.76 N O5.38 -","- C128 H142.08 N8 O43.04 -","8","1","CR0361","Hua, D. H.; Saha, S.; Robinson, P. D.","Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate","Acta Crystallographica Section C","1991","47","12","2737","2739","10.1107/S0108270191008259","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","200465","2020-10-21","18:00:00",""
"2000169","5.959","0.001","14.956","0.001","19.737","0.003","90","","90","","90","","1759","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C72 H100 N4 O12 -","4","1","HL0007","Willis, Anthony C.; Beckwith, Athelstan L. J.; Tozer, Matthew J.","<i>trans</i>-3-Benzoyl-2-<i>tert</i>-butyl-4-isobutyl-1,3-oxazolidin-5-one","Acta Crystallographica Section C","1991","47","11","2276","2277","10.1107/S0108270191009630","","","1.5418","CuKα","","0.038","0.034","","0.044","0.042","","","","1.462","1.515","1.515","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2000170","11.097","0.002","11.097","0.002","21.114","0.004","90","","90","","120","","2251.7","0.7","","","","","","","","","","","","4","R 3 2","R 3 2""","","","","","- B4 H9.4 Na2 O11.7 -","- B4 H12 Na2 O13 -","- B36 H108 Na18 O117 -","9","","ST0510","Powell, D. R.; Gaines, D. F.; Zerella, P. J.; Smith, R. A.","Refinement of the structure of tincalconite","Acta Crystallographica Section C","1991","47","11","2279","2282","10.1107/S0108270191006054","","","1.54184","Cu","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2000171","7.284","0.001","3.881","0.001","15.143","0.001","90","","90","","90","","428.08","0.13","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy2 S3 -","- Dy2 S3 -","- Dy8 S12 -","4","0.5","AL0424","Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.; Boom, G.","Structure of two modifications of dysprosium sesquisulfide, Dy~2~S~3~","Acta Crystallographica Section C","1991","47","11","2287","2291","10.1107/S0108270191006303","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000172","13.601","0.003","13.966","0.003","12.341","0.003","100.1","0.02","99.56","0.02","115.19","0.02","2010.7","0.9","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Fe2 N6 O6 -","- C31 H38 Cl2 Fe2 N6 O22 -","- C62 H76 Cl4 Fe4 N12 O44 -","2","1","ST0483","O'Brien, R. J.; Richardson, J. F.; Buchanan, R. M.","Structure of di-μ-acetato-μ-oxo-bis[bis(2-pyridylmethyl)amine]diiron(III) diperchlorate 0.9-acetone solvate","Acta Crystallographica Section C","1991","47","11","2307","2310","10.1107/S0108270191005759","","","0.7093","mo","","","","","","","","","","","","","","","","","has coordinates","206341","2020-10-21","18:00:00",""
"2000173","12.125","0.003","12.379","0.003","20.438","0.005","90","","92.07","0.02","90","","3065.6","1.3","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 F12 N2 Ni O7 -","- C21 F17 N2 Ni O7 -","- C84 F68 N8 Ni4 O28 -","4","1","ST0479","Cervantes-Lee, F.; Porter, L. C.","Structure of (4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy)bis(hexafluoroacetylacetonato)(methanol)nickel(II) methanol solvate","Acta Crystallographica Section C","1991","47","11","2312","2315","10.1107/S0108270191002834","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000174","6.142","0.001","8.144","0.003","20.527","0.004","90","","93.97","0.01","90","","1024.3","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Na4 O16 -","- C14 H20 Na4 O16 -","- C28 H40 Na8 O32 -","2","0.5","ST0515","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structure of tetrasodium 1,4,5,8-naphthalenetetracarboxylate octahydrate","Acta Crystallographica Section C","1991","47","11","2315","2319","10.1107/S0108270191006066","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000175","10.158","0.001","10.663","0.001","12.766","0.002","100.93","0.01","109.55","0.01","99.1","0.01","1242.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 Li O7 P -","- C27 H32 Li O7 P -","- C54 H64 Li2 O14 P2 -","2","1","CR0313","Burns, J. H.; Sachleben, R. A.","Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid","Acta Crystallographica Section C","1991","47","11","2339","2343","10.1107/S0108270191005802","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000176","10.493","0.006","11.77","0.005","13.162","0.005","98.16","0.03","108.73","0.04","108.81","0.04","1401.5","1.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Na O11 P -","- C25 H36 Na O11 P -","- C50 H72 Na2 O22 P2 -","2","1","CR0313","Burns, J. H.; Sachleben, R. A.","Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid","Acta Crystallographica Section C","1991","47","11","2339","2343","10.1107/S0108270191005802","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199644","2020-10-21","18:00:00",""
"2000177","8.586","0.002","10.508","0.002","10.676","0.002","90","","95.64","0.02","90","","958.5","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N4 O3 S2 -","- C5 H8 N4 O3 S2 -","- C20 H32 N16 O12 S8 -","4","1","AB0197","Alzuet, G.; Ferrer, S.; Borrás, J.; Solans, X.","Structure of methazolamide: an inhibitor of carbonic anhydrase","Acta Crystallographica Section C","1991","47","11","2377","2379","10.1107/S0108270191005462","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000178","10.186","0.001","11.494","0.001","8.535","0.001","90","","99.71","0.008","90","","984.94","0.17","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","LI0071","De, A.; Kitagawa, Y.","Structure of 3,3-dimethoxyindolin-2-one","Acta Crystallographica Section C","1991","47","11","2384","2386","10.1107/S0108270191005814","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000179","24.595","0.004","24.595","0.004","6.398","0.002","90","","90","","90","","3870.2","1.5","","","","","","","","","","","","6","P 42/n","-P 4bc","","","","","- C17.5 H19 Cl F6 N2 O1.5 -","- C17 H17 Cl F6 N2 O -","- C136 H136 Cl8 F48 N16 O8 -","8","","CR0310","Karle, J. M.; Karle, I. L.","Structure of the antimalarial (±)-mefloquine hydrochloride","Acta Crystallographica Section C","1991","47","11","2391","2395","10.1107/S0108270191005796","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","189068","2020-10-21","18:00:00",""
"2000180","13.289","0.003","13.289","0.003","13.289","0.003","90","","90","","90","","2346.8","0.9","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","","","","","- C18 H21 Cl3 N4 O12 -","- C18 H21 Cl3 N4 O12 -","- C72 H84 Cl12 N16 O48 -","4","0.333333","CR0325","Britton, D.; Norman, R. E.; Que, Jnr, L.","Tris[(2-pyridinium)methyl]amine perchlorate","Acta Crystallographica Section C","1991","47","11","2415","2417","10.1107/S0108270191006194","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000181","16.157","0.002","9.189","0.003","9.996","0.003","90","","95.8","0.02","90","","1476.5","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","4-(4-bromophenyl)-4-phenylcyclohex-2-en-1-one","","- C18 H15 Br O -","- C18 H15 Br O -","- C72 H60 Br4 O4 -","4","1","CR0329","Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.","Structure and photochemistry of a cyclohexenone and its solid-state photoproduct","Acta Crystallographica Section C","1991","47","11","2417","2419","10.1107/S0108270191006212","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","199613","2020-10-21","18:00:00",""
"2000182","17.607","0.004","8.213","0.002","19.976","0.005","90","","93.09","0.03","90","","2884.5","1.2","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","","","","","- C18 H15 Br O -","- C18 H15 Br O -","- C144 H120 Br8 O8 -","8","1","CR0329","Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.","Structure and photochemistry of a cyclohexenone and its solid-state photoproduct","Acta Crystallographica Section C","1991","47","11","2417","2419","10.1107/S0108270191006212","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000183","10.251","0.001","8.37","0.001","12.548","0.001","90","","95.98","0.05","90","","1070.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","AB0200","Kopf, J.; Topf, C.; Morf, M.; Zimmer, B.; Köll, P.","Structure of 1,2,3,4,5,6-hexa-<i>O</i>-acetyl-<small>D</small>-glucitol (sorbitol hexaacetate)","Acta Crystallographica Section C","1991","47","11","2425","2428","10.1107/S0108270191004924","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000184","7.3964","0.0003","12.8372","0.0005","13.6726","0.0004","90","","90","","90","","1298.2","0.08","","","","","","","","","","","","6","C m c m","-C 2c 2","","","","","- C6 H8 Fe Gd N6 O4 -","- C6 Fe Gd N6 O4 -","- C24 Fe4 Gd4 N24 O16 -","4","0.25","ST0519","Mullica, D. F.; Sappenfield, E. L.","Structure of gadolinium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","1991","47","11","2433","2435","10.1107/S0108270191006364","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000185","8.8723","0.0012","5.4921","0.0004","4.8495","0.0006","90","","90","","90","","236.3","0.05","","","","","","","","","","","","3","C m c 21","C 2c -2","","","","","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0210","Sjöberg, J.; Helgesson, G.; Idrestedt, I.","Refinement of the structure of Si~2~N~2~O","Acta Crystallographica Section C","1991","47","11","2438","2441","10.1107/S0108270191006236","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000186","9.182","0.003","9.64","0.002","10.384","0.002","107.56","0.02","89.7","0.02","110.48","0.02","815.7","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 Cl O P2 Rh -","- C37 H30 Cl O P2 Rh -","- C37 H30 Cl O P2 Rh -","1","0.5","CR0301","Chen, Y.-J.; Wang, J.-C.; Wang, Yu","Structure of <i>trans</i>-[Rh(CO)Cl{P(C~6~H~5~)~3~}~2~]: a centrosymmetric triclinic phase","Acta Crystallographica Section C","1991","47","11","2441","2442","10.1107/S0108270191005589","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2000187","15.328","0.002","13.994","0.002","18.26","0.002","90","","114","0.01","90","","3578.1","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N6 O4 W -","- C16 H10 N6 O4 W -","- C128 H80 N48 O32 W8 -","8","2","AB0179","Hage, R.; de Graaff, R. A. G.; Haasnoot, J. G.; Russell, G.; Long, C.; Vos, J. G.","Structure of tetracarbonyl[3,6-bis(pyridin-2-yl)-2,5-dihydro-1,2,4,5-tetrazine]tungsten(0)","Acta Crystallographica Section C","1991","47","11","2448","2451","10.1107/S0108270191004729","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000188","61.35","0.004","10.437","0.0004","17.7387","0.0014","90","","99.742","0.006","90","","11194.5","1.2","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C26 H34 Mo N2 O12 -","- C26 Mo N2 O12 -","- C416 Mo16 N32 O192 -","16","2","CR0302","Wang, J.-C.; Sun, C.-H.; Chow, T. J.; Liu, L.-K.","Structure of dicarbonylbis(η^2^-dimethyl 7-acetyl-7-azabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate-κ<i>N</i>)molybdenum(0)","Acta Crystallographica Section C","1991","47","11","2459","2461","10.1107/S0108270191007217","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000189","9.967","0.003","10.912","0.003","12.258","0.003","71.07","0.02","67.26","0.02","75.61","0.02","1151.4","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C58 H48 N4 O4 S2 -","2","1","ST0511","Zhang, H.; Self, J.; Khanapure, S. P.; Biehl, E.","Structure of 10-benzyl-2-[(3,4-dimethoxyphenyl)methyl]phenothiazine-1-carbonitrile","Acta Crystallographica Section C","1991","47","11","2465","2466","10.1107/S0108270191005346","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","200473","2020-10-21","18:00:00",""
"2000190","8.436","0.002","16.739","0.006","11.698","0.003","90","","97.69","0.02","90","","1637","0.8","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","AB0208","van Eijck, B. P.","Structure of (<i>Z</i>)-1,2-dimesitylvinylene bis(mesitylenecarboxylate)","Acta Crystallographica Section C","1991","47","11","2470","2472","10.1107/S0108270191005334","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000191","10.266","0.003","14.848","0.006","11.537","0.003","90","","108.83","0.03","90","","1664.5","1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 Cl F3 N2 -","- C8 Cl F3 N2 -","- C64 Cl8 F24 N16 -","8","2","CR0343","Britton, D.","Structure of 5-chloro-2,4,6-trifluoroisophthalonitrile","Acta Crystallographica Section C","1991","47","11","2472","2474","10.1107/S0108270191005747","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000192","4.479","0.001","9.955","0.001","19.304","0.002","90","","107.9","0.01","90","","819.1","0.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cl N5 O2 -","- C5 H8 Cl N5 O2 -","- C20 H32 Cl4 N20 O8 -","4","1","AB0161","Maixner, J.; Zachová, J.","Redetermination of the structure of guanine hydrochloride monohydrate","Acta Crystallographica Section C","1991","47","11","2474","2476","10.1107/S0108270191005322","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000193","22.46","0.009","17.52","0.008","9.04","0.01","90","","90","","90","","3557","4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C36 H56 N4 O6 -","- C36 H56 N4 O6 -","- C144 H224 N16 O24 -","4","0.5","LI0069","Cheetham, G. M. T.; Harding, M. M.","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Bis(<i>m</i>-xylyl)bis(4,13-diaza-1,7,10-trioxacyclopentadecane): a multidentate macrocyclic complexing agent containing two 15-crown-5 rings","Acta Crystallographica Section C","1991","47","11","2478","2479","10.1107/S010827019100598X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000194","11.194","0.004","10.944","0.003","14.815","0.005","90","","95.01","0.03","90","","1808","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C15 H28 O4 Si -","- C15 H28 O4 Si -","- C60 H112 O16 Si4 -","4","1","CR0344","Ammon, H. L.; DeShong, P.; Simpson, D.","Structure of a lactone, (3α,4α,6α)-4-(<i>tert</i>-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1991","47","11","2482","2484","10.1107/S0108270191006030","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000195","9.665","0.002","7.981","0.001","19.071","0.002","90","","90","","90","","1471.1","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","AL0471","Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.","Structure of <i>N</i>-methyl benzaldehyde nitrone","Acta Crystallographica Section C","1991","47","11","2484","2485","10.1107/S0108270191007199","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000196","5.5385","0.0006","8.543","0.001","10.373","0.001","113.329","0.009","100.78","0.01","99.82","0.01","426.13","0.09","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C18 H24 O6 -","2","1","CR0339","Ammon, H. L.; DeShong, P.; Lessen, T. A.","Structure of (2'<i>R</i>*,5<i>S</i>*)-(±)-5-(tetrahydro-2'<i>H</i>-pyran-2'-yl)-2(5<i>H</i>)-furanone","Acta Crystallographica Section C","1991","47","11","2488","2489","10.1107/S0108270191006248","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000197","11.6","0.01","20.44","0.02","7.657","0.006","91.19","0.08","95.53","0.08","89.55","0.07","1807","3","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","2","CR0333","Robinson, P. D.; Hua, D. H.; Roche, D.; Saha, S.","Structure of 8-ethyl-4,10,12-trimethoxy-6<i>H</i>-benzo[<i>d</i>]naphtho[1,2-<i>b</i>]pyran-6-one","Acta Crystallographica Section C","1991","47","11","2490","2492","10.1107/S0108270191005863","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000198","10.8","0.01","6","0.01","5.41","0.005","113.16","0.06","77.21","0.05","92.84","0.07","314","0.7","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H22 N4 -","- C12 H22 N4 -","- C12 H22 N4 -","1","0.5","LI0084","Small, R. W. H.","Structure of 2-azacycloheptanone azine","Acta Crystallographica Section C","1991","47","11","2505","2506","10.1107/S0108270191007047","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000199","7.389","0.001","13.255","0.001","14.448","0.002","88.6","0.01","78.58","0.01","81.48","0.01","1371.7","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H39 N O11 -","- C26 H39 N O11 -","- C52 H78 N2 O22 -","2","1","HA0066","Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P.","Structures of two crown-ether derivatives of 9-acridone","Acta Crystallographica Section C","1991","47","11","2508","2510","10.1107/S0108270191007151","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000200","8.426","0.002","11.42","0.002","11.739","0.004","87.2","0.03","79.33","0.03","77.88","0.02","1085.3","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C48 H58 N2 O14 -","2","1","HA0066","Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P.","Structures of two crown-ether derivatives of 9-acridone","Acta Crystallographica Section C","1991","47","11","2508","2510","10.1107/S0108270191007151","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000201","11.503","0.003","15.932","0.002","9.133","0.002","90","","102.17","0.02","90","","1636.2","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","LI0075","McKenna, R.; Neidle, S.; Wilson, W. D.","Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA","Acta Crystallographica Section C","1991","47","11","2511","2513","10.1107/S0108270191005991","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000202","9.873","0.002","13.163","0.003","14.065","0.003","101.33","0.03","94.3","0.03","91.35","0.03","1785.8","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N O3 S -","- C19 H22 N2 O2 S -","- C76 H88 N8 O8 S4 -","4","2","LI0075","McKenna, R.; Neidle, S.; Wilson, W. D.","Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA","Acta Crystallographica Section C","1991","47","11","2511","2513","10.1107/S0108270191005991","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000203","7.974","0.002","7.974","0.002","4.875","0.001","90","","90","","120","","268.45","0.11","","","","","","","","","","","","5","P 3 2 1","P 3 2""","","","","","- Al3.5 N1.5 Nd3 O12.5 Si2.5 -","- Al4 Nd3 O14 Si2 -","- Al4 Nd3 O14 Si2 -","1","0.166667","AB0206","Käll, P.-O.; Grins, J.; Nygren, M.","Structure of the Nd U-phase, Nd~3~Al~3.5~Si~2.5~O~12.5~N~1.5~; a nitrogen-containing phase of the La~3~Ga~5~GeO~14~ structure type","Acta Crystallographica Section C","1991","47","10","2015","2019","10.1107/S0108270191005024","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000204","10.324","0.0006","10.324","0.0006","10.324","0.0006","90","","90","","90","","1100.38","0.11","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- Br2 Cu H12 O12 -","- Br2 Cu H12 O12 -","- Br8 Cu4 H48 O48 -","4","0.166667","CR0311","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.","Structure of hexaaquacopper(II) bromate","Acta Crystallographica Section C","1991","47","10","2019","2023","10.1107/S0108270191005048","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000205","15.02","0.009","7.555","0.002","18.134","0.015","90","","112.22","0.06","90","","1905","2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C23 H19 Fe N3 O2 -","- C23 H19 Fe N3 O2 -","- C92 H76 Fe4 N12 O8 -","4","1","MU0246","Coe, B. J.; Foulon, J.-D.; Hamor, T. A.; Jones, C. J.; McCleverty, J. A.","Synthesis and structure of 4-ferrocenyl-2'-methyl-4'-nitroazobenzene","Acta Crystallographica Section C","1991","47","10","2032","2035","10.1107/S0108270191003748","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000206","9.171","0.001","8.999","0.001","26.677","0.003","90","","94.08","0.01","90","","2196.1","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Cl2 Cu N7 O8 -","- C14 H21 Cl2 Cu N7 O15 -","- C56 H84 Cl8 Cu4 N28 O60 -","4","1","ST0482","Oberhausen, K. J.; Easley, W. D.; Richardson, J. F.; Buchanan, R. M.","Structure of {bis[(1-methylimidazol-2-yl)methyl]amine}(1-methylimidazole)copper(II) diperchlorate","Acta Crystallographica Section C","1991","47","10","2037","2040","10.1107/S010827019100344X","","","0.71093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000207","15.739","0.005","7.466","0.001","20.286","0.005","90","","97.21","0.02","90","","2364.9","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O6 Ti -","- C26 H24 O6 Ti -","- C104 H96 O24 Ti4 -","4","1","MU0235","Bracke, B.; Dang, Y.; Lenstra, A. T. H.; Geise, H. J.","Bis(cyclopentadienyl)bis(<i>m</i>-methoxybenzoato)titanium(IV)","Acta Crystallographica Section C","1991","47","10","2043","2047","10.1107/S0108270191003864","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000208","7.73","0.004","13.408","0.009","30.59","0.03","90","","94.9","0.07","90","","3159","4","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N3 Nd O18 S3 -","- C21 H30 N3 Nd O18 S3 -","- C84 H120 N12 Nd4 O72 S12 -","4","1","MU0227","Starynowicz, P.","Structure of octaaquasaccharinatoneodymium disaccharinate hydrate","Acta Crystallographica Section C","1991","47","10","2063","2065","10.1107/S0108270191003967","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000209","12.737","0.001","39.46","0.004","12.765","0.001","90","","116.4","0.01","90","","5746.6","1","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C57 H82 Mn O12 S2 -","- C61 H38 Mn O12 S2 -","- C244 H152 Mn4 O48 S8 -","4","1","CR0288","Burns, J. H.; Lumetta, G. J.","Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate","Acta Crystallographica Section C","1991","47","10","2069","2073","10.1107/S0108270191003797","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000210","12.766","0.002","39.083","0.005","12.771","0.002","90","","116.44","0.01","90","","5705.4","1.5","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C57 H82 O3 S2 Zn -","- C61 H38 O12 S2 Zn -","- C244 H152 O48 S8 Zn4 -","4","1","CR0288","Burns, J. H.; Lumetta, G. J.","Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate","Acta Crystallographica Section C","1991","47","10","2069","2073","10.1107/S0108270191003797","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000211","6.623","0.002","9.723","0.002","12.658","0.003","85.98","0.02","79.72","0.02","79.95","0.02","789.1","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu S16 -","- C20 H16 Cl2 Cu S16 -","- C20 H16 Cl2 Cu S16 -","1","0.5","CR0332","Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.","Structure and conductivity of a new phase of di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] dichlorocuprate(I); β-(BEDT-TTF)~2~CuCl~2~","Acta Crystallographica Section C","1991","47","10","2082","2085","10.1107/S010827019100505X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000212","8.893","0.001","9.712","","12.745","0.003","90","","103.38","0.01","90","","1070.9","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H28 Cl4 P4 Pd2 -","- C10 H28 Cl4 P4 Pd2 -","- C20 H56 Cl8 P8 Pd4 -","2","0.5","CR0322","Davies, J. A.; Pinkerton, A. A.; Vilmer, M.","<i>cis</i>,<i>cis</i>-[Bis(dimethylphosphino)methane]tetrachlorodipalladium(II)","Acta Crystallographica Section C","1991","47","10","2092","2094","10.1107/S0108270191004869","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000213","9.006","0.001","14.209","0.002","10.908","0.002","90","","117.88","0.01","90","","1233.8","0.3","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C4 H12 N2 O8 Pt S2 -","- C4 H12 N2 O8 Pt S2 -","- C16 H48 N8 O32 Pt4 S8 -","4","1","AB0214","Boström, D.; Strandberg, R.; Norén, B.; Oskarsson, Å.","<i>cis</i>/<i>trans</i> influences on square-planar platinum(II) complexes. Structure of <i>cis</i>-bis(dimethyl sulfoxide)dinitratoplatinum(II)","Acta Crystallographica Section C","1991","47","10","2101","2104","10.1107/S010827019100567X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000214","6.926","0.001","9.084","0.002","18.602","0.003","90","","90","","90","","1170.4","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N3 O6 P -","- C8 H14 N3 O6 P -","- C32 H56 N12 O24 P4 -","4","1","AB0159","Symerský, J.; Holý, A.","Structure of 1-(<i>S</i>)-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine; an antiviral agent","Acta Crystallographica Section C","1991","47","10","2104","2107","10.1107/S0108270190013257","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000215","27.479","0.004","5.128","0.001","21.811","0.003","90","","139.35","0.01","90","","2002.2","0.7","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C20 H24 Br N O6 -","- C20 H24 Br N O6 -","- C80 H96 Br4 N4 O24 -","4","1","AB0186","Arrieta, J. M.; Domínguez, E.; Lete, E.; Villa, M. J.; Germain, G.; Vlassi, M.; Prewo, R.; Bieri, J. H.","<i>N</i>-2-(2-Bromo-4,5-dimethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)ethylformamide","Acta Crystallographica Section C","1991","47","10","2115","2118","10.1107/S0108270191003141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000216","9.881","0.001","12.687","0.002","15.438","0.005","109.65","0.01","90.94","0.02","95.78","0.01","1810.7","0.7","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 N3 O4 -","- C18 H25 N3 O4 -","- C72 H100 N12 O16 -","4","2","CR0270","Punte, G.; Rivero, B. E.","Investigation of the geometry of substituted dinitroanilines. III. Structural study of <i>N</i>,<i>N</i>-dicyclohexyl-2,4-dinitroaniline","Acta Crystallographica Section C","1991","47","10","2118","2122","10.1107/S0108270191002901","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000217","22.525","0.002","11.73","0.002","7.568","0.002","90","","90","","90","","1999.6","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","ST0506","Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B.","Structure of 4-cyano-4'-fluorobiphenyl","Acta Crystallographica Section C","1991","47","10","2131","2134","10.1107/S0108270191003451","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000218","6.589","0.001","9.784","0.002","14.394","0.002","90","","95.69","0.01","90","","923.4","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","ST0505","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.; Rawal, V. H.","Structure of 4-dibenzofurancarboxaldehyde, C~13~H~8~O~2~","Acta Crystallographica Section C","1991","47","10","2134","2137","10.1107/S0108270191003384","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000219","13.378","0.007","6.614","0.001","23.04","0.015","90","","92.53","0.05","90","","2036.6","1.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C96 H88 N8 O32 -","8","2","CR0314","Ammon, H. L.; Paquette, L. A.","Structure of 9-nitro-[4]peristylane-1,5-dione","Acta Crystallographica Section C","1991","47","10","2156","2159","10.1107/S0108270191003980","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000220","11.467","0.001","8.756","0.001","11.9339","0.0008","90","","90","","90","","1198.22","0.19","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","CR0315","Ammon, H. L.; Paquette, L. A.","Structure of 1,5,9-trinitrobishomopentaprismane","Acta Crystallographica Section C","1991","47","10","2159","2164","10.1107/S0108270191003803","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000221","7.618","0.004","22.321","0.01","8.311","0.003","90","","90.14","0.04","90","","1413.2","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 N O12 P2 -","- C6 H13 N O12 P2 -","- C24 H52 N4 O48 P8 -","4","2","MU0238","Weichsel, A.; Lis, T.; Kuczek, M.","Structure of ammonium hydrogen bis(phosphoenolpyruvate)","Acta Crystallographica Section C","1991","47","10","2164","2167","10.1107/S0108270191003979","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000222","10.2585","0.0003","19.7992","0.0007","9.9408","0.0004","90","","92.009","0.004","90","","2017.84","0.12","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O3 -","- C22 H26 N4 O3 -","- C88 H104 N16 O12 -","4","2","AB0201","Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K.","Structures of novel macrocyclic dipyridylmethaneamides","Acta Crystallographica Section C","1991","47","10","2171","2176","10.1107/S0108270191004596","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000223","10.336","0.001","18.478","0.002","19.048","0.002","115.906","0.001","101.773","0.005","98.575","0.004","3084.1","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O3 -","- C22 H26 N4 O3 -","- C132 H156 N24 O18 -","6","3","AB0201","Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K.","Structures of novel macrocyclic dipyridylmethaneamides","Acta Crystallographica Section C","1991","47","10","2171","2176","10.1107/S0108270191004596","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000224","20.888","0.001","4.858","0.001","9.221","0.001","90","","99.888","0.005","90","","921.8","0.2","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C28 H64 O28 -","4","1","AB0193","Kopf, J.; Morf, M.; Zimmer, B.; Bischoff, M.; Köll, P.","Structure of racemic perseitol (<small>D</small>,<small>L</small>-<i>glycero</i>-<small>D</small>,<small>L</small>-<i>galacto</i>-heptitol)","Acta Crystallographica Section C","1991","47","10","2186","2188","10.1107/S0108270191003724","","","1.54051","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000225","9.385","0.005","12.702","0.009","8.261","0.005","90","","110.94","0.04","90","","919.7","1","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C2 Cs N3 -","- C2 Cs N3 -","- C16 Cs8 N24 -","8","1","MU0242","Starynowicz, P.","Structure of caesium dicyanamide","Acta Crystallographica Section C","1991","47","10","2198","2199","10.1107/S0108270191003700","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000226","9.023","0.003","12.081","0.005","16.72","0.011","90","","97.06","0.04","90","","1808.8","1.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Fe2 O7 S2 -","- C14 H10 Fe2 O7 S2 -","- C56 H40 Fe8 O28 S8 -","4","1","AB0169","Liu, X. L.; Chen, H. L.; Miao, F. M.; Song, L. C.; Hu, Q. M.","Structure of an Fe–S cluster complex","Acta Crystallographica Section C","1991","47","10","2199","2201","10.1107/S0108270191003062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000227","12.032","0.003","7.288","0.004","16.933","0.004","90","","90.44","0.04","90","","1484.8","1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Ag2 N8 S4 -","- C22 H34 Ag2 N8 S4 -","- C44 H68 Ag4 N16 S8 -","2","0.5","AB0168","Wang, J.-L.; Sun, M.; Miao, F. M.; Wu, S.-Y.; Gong, F.-S.; Duan, X.-H.","Structure of an inclusion compound of Ag~2~(SCN)~4~ and 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazatricyclo[9.3.1.1^4,8^]hexadecane","Acta Crystallographica Section C","1991","47","10","2203","2205","10.1107/S0108270191003888","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000228","8.783","0.002","9.304","0.003","26.993","0.005","90","","90","","90","","2205.8","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl Cu N O4 -","- C10 H8 Cl Cu N O4 -","- C80 H64 Cl8 Cu8 N8 O32 -","8","1","AB0196","Wang, J.-L.; Tian, G.-H.; Miao, F. M.; Liu, H.-Q.; Chen, R.-T.","Structure of the complex [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II)","Acta Crystallographica Section C","1991","47","10","2205","2207","10.1107/S010827019100389X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000229","9.129","0.001","14.207","0.001","11.003","0.001","90","","102.36","0.01","90","","1394","0.2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C11 H18 Br N3 O2 Zn -","- C11 H18 Br N3 O2 Zn -","- C44 H72 Br4 N12 O8 Zn4 -","4","1","AB0195","Kratochvíl, B.; Ondráček, J.; Novotný, J.; Haber, V.","Structure of a zinc(II) complex with a non-symmetrical tetradentate Schiff base","Acta Crystallographica Section C","1991","47","10","2207","2209","10.1107/S0108270191003207","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","187457","2020-10-21","18:00:00",""
"2000230","9.107","0.001","9.632","0.002","21.53","0.002","90","","90","","90","","1888.6","0.5","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C6 H18 Cr P3 S6 -","- C6 H18 Cr P3 S6 -","- C24 H72 Cr4 P12 S24 -","4","1","CR0330","Skrzypczak-Jankun, E.; Pinkerton, A. A.","Tris(dimethyldithiophosphinato)chromium(III) ‒ orthorhombic form","Acta Crystallographica Section C","1991","47","10","2211","2212","10.1107/S0108270191005073","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000231","7.702","0.001","9.343","0.001","11.275","0.001","99.24","0.01","103.36","0.01","102.08","0.01","753.07","0.16","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cu N4 O9 -","- C10 H14 Cu N4 O10 -","- C20 H28 Cu2 N8 O20 -","2","1","AB0192","Mathews, I. I.; Manohar, H.","Redetermination of the structure of triaqua(2,2'-bipyridine)nitratocopper(II) nitrate","Acta Crystallographica Section C","1991","47","10","2213","2214","10.1107/S0108270191003591","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000232","6.862","0.001","6.923","0.002","11.215","0.002","82.65","0.01","83.27","0.01","61.3","0.01","462.53","0.18","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 Cl3 Ti -","- C6 H7 Cl3 Ti -","- C12 H14 Cl6 Ti2 -","2","1","CR0327","Kirschbaum, K.; Giolando, D. M.","Structure of trichloro(η^5^-methylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","1991","47","10","2216","2218","10.1107/S0108270191005061","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000233","17.662","0.003","5.9287","0.0007","8.4003","0.001","90","","99.857","0.013","90","","866.6","0.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","ST0497","Prince, P.; Fronczek, F. R.; Gandour, R. D.","7-Methoxy-2-naphthol","Acta Crystallographica Section C","1991","47","10","2218","2220","10.1107/S0108270191003992","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000234","8.4835","0.0007","11.801","0.002","12.036","0.002","82.321","0.01","76.56","0.008","73.261","0.008","1119.4","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O6 S2 -","- C24 H20 O6 S2 -","- C48 H40 O12 S4 -","2","1","ST0495","Prince, P.; Fronczek, F. R.; Gandour, R. D.","2,7-Naphthalenediyl bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section C","1991","47","10","2220","2222","10.1107/S0108270191003608","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000235","3.9886","0.0002","11.7995","0.0009","22.789","0.003","90","","92.748","0.006","90","","1071.3","0.17","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","ST0500","Prince, P.; Fronczek, F. R.; Gandour, R. D.","Methyl 7-methoxy-2-naphthoate","Acta Crystallographica Section C","1991","47","10","2226","2227","10.1107/S010827019100361X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000236","11.737","0.002","21.244","0.004","22.932","0.003","90","","90","","90","","5717.9","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H24 O3 S -","- C13 H24 O3 S -","- C208 H384 O48 S16 -","16","4","HA0034","Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.","Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)","Acta Crystallographica Section C","1991","47","10","2234","2236","10.1107/S0108270191002226","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000237","8.651","0.002","11.92","0.004","14.256","0.003","90","","90","","90","","1470.1","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H26 O3 S -","- C14 H26 O3 S -","- C56 H104 O12 S4 -","4","1","HA0034","Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.","Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)","Acta Crystallographica Section C","1991","47","10","2234","2236","10.1107/S0108270191002226","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000238","9.434","0.008","6.11","0.004","13.322","0.01","90","","105.02","0.06","90","","741.7","1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C40 H28 N8 -","2","0.5","AB0207","Honey, G. E.; Steel, P. J.","Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine","Acta Crystallographica Section C","1991","47","10","2247","2249","10.1107/S0108270191005085","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000239","7.224","0.005","11.53","0.006","8.978","0.006","90","","91.21","0.05","90","","747.6","0.8","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C40 H28 N8 -","2","0.5","AB0207","Honey, G. E.; Steel, P. J.","Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine","Acta Crystallographica Section C","1991","47","10","2247","2249","10.1107/S0108270191005085","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000240","9.666","0.002","9.933","0.002","16.023","0.003","90","","106.01","0.02","90","","1478.7","0.5","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H40 B N O -","- C37 H40 B N O -","- C74 H80 B2 N2 O2 -","2","1","CR0304","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt","Acta Crystallographica Section C","1991","47","10","2249","2252","10.1107/S0108270191005152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000241","9.196","0.003","13.442","0.003","12.718","0.003","90","","104.46","0.02","90","","1522.3","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C13 H20 B F4 N O2 -","- C13 H20 B F4 N O2 -","- C52 H80 B4 F16 N4 O8 -","4","1","CR0304","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt","Acta Crystallographica Section C","1991","47","10","2249","2252","10.1107/S0108270191005152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000242","9.282","0.002","14.338","0.006","9.551","0.004","90","","109.71","0.03","90","","1196.6","0.8","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H36 B N -","- C30 H36 B N -","- C60 H72 B2 N2 -","2","0.5","CR0304","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt","Acta Crystallographica Section C","1991","47","10","2249","2252","10.1107/S0108270191005152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2000243","7.5552","0.0008","7.763","0.001","9.073","0.001","110.742","0.009","99.57","0.009","100.309","0.009","474.12","0.11","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C20 H12 N4 O8 -","2","1","CR0316","Ammon, H. L.","Structure of 1,3-dinitronaphthalene","Acta Crystallographica Section C","1991","47","10","2252","2254","10.1107/S0108270191003463","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000244","10.2987","0.0006","10.2987","0.0006","10.2987","0.0006","90","","90","","90","","1092.31","0.11","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- Br2 H12 Ni O12 -","- Br2 H12 Ni O12 -","- Br8 H48 Ni4 O48 -","4","0.166667","CR0303","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.","Structure of hexaaquanickel(II) bromate","Acta Crystallographica Section C","1991","47","9","1786","1789","10.1107/S0108270191002196","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000246","5.0148","0.0005","5.0148","0.0005","14.324","0.001","90","","90","","120","","360.22","0.06","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mn O3 -","- Ge Mn O3 -","- Ge6 Mn6 O18 -","6","0.333333","LI0067","Ross, N. L.; Reynard, B.; Guyot, F.","Structure of high-pressure MnGeO~3~ ilmenite","Acta Crystallographica Section C","1991","47","9","1794","1796","10.1107/S0108270191003153","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:36:37",""
"2000247","3.85","0.001","23.73","0.03","13.667","0.009","90","","90","","90","","1248.6","1.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","AB0156","Ulický, L.; Kožíšek, J.; Ječný, J.","Structure of an anthracene derivative","Acta Crystallographica Section C","1991","47","9","1879","1881","10.1107/S0108270191001166","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000248","23.95","0.02","6.55","0.006","26.59","0.02","90","","96.4","0.1","90","","4145","6","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","","","","","- C25 H18 Cl2 O -","- C25 H18 Cl2 O -","- C200 H144 Cl16 O8 -","8","1","LI0064","Barnes, J. C.; Horspool, W. M.; Mackie, F. I.","6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol","Acta Crystallographica Section C","1991","47","9","1881","1885","10.1107/S0108270191001932","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000249","12.211","0.008","26.5","0.02","12.477","0.009","90","","99.12","0.01","90","","3986","5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl O -","- C25 H19 Cl O -","- C200 H152 Cl8 O8 -","8","2","LI0064","Barnes, J. C.; Horspool, W. M.; Mackie, F. I.","6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol","Acta Crystallographica Section C","1991","47","9","1881","1885","10.1107/S0108270191001932","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000250","13.107","0.012","11.828","0.008","7.74","0.006","90","","109.93","0.06","90","","1128.1","1.6","","","","","","","","","","","","3","P 1 21 1","","","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","LI0059","Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.","Camphoric acid and ammonium hydrogen camphorate monohydrate","Acta Crystallographica Section C","1991","47","9","1888","1892","10.1107/S0108270191001713","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000251","13.013","0.005","13.013","0.005","6.326","0.007","90","","90","","120","","927.7","1.1","","","","","","","","","","","","4","P 32","","","","","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C30 H63 N3 O15 -","3","1","LI0059","Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.","Camphoric acid and ammonium hydrogen camphorate monohydrate","Acta Crystallographica Section C","1991","47","9","1888","1892","10.1107/S0108270191001713","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000252","12.69","0.003","6.14","0.001","19.66","0.004","90","","106.74","0.02","90","","1466.9","0.5","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","CR0275","Badejo, I. T.; Fry, J. L.; Karaman, R.; Nadkarni, D.; Pinkerton, A. A.","9-(Cyclohepta-2,4,6-trien-1-yl)xanthen-9-ol. X-ray crystal structure and computationally optimized structures compared","Acta Crystallographica Section C","1991","47","9","1895","1898","10.1107/S0108270191001038","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000253","8.975","0.001","14.727","0.001","13.151","0.003","90","","93.46","0.01","90","","1735.1","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 O S4 -","- C5 H6 O S4 -","- C40 H48 O8 S32 -","8","2","AB0174","Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.","Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin","Acta Crystallographica Section C","1991","47","9","1905","1908","10.1107/S0108270191001786","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000254","12.099","0.002","17.613","0.002","8.201","0.003","90","","108.43","0.02","90","","1658","0.7","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 S5 -","- C5 H4 S5 -","- C40 H32 S40 -","8","2","AB0174","Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.","Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin","Acta Crystallographica Section C","1991","47","9","1905","1908","10.1107/S0108270191001786","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000255","6.678","0.003","9.635","0.003","9.947","0.005","114.79","0.03","106.01","0.04","90.39","0.04","553","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C24 H26 N6 O2 -","2","1","LI0065","Bird, C. W.; Nyburg, S. C.; Parkins, A. W.","2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one","Acta Crystallographica Section C","1991","47","9","1943","1945","10.1107/S0108270191002780","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000256","9.127","0.001","9.371","0.001","14.893","0.001","85.665","0.006","79.203","0.005","62.109","0.007","1105.8","0.2","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 N O2 P Rh S -","- C24 N O2 P Rh S -","- C48 N2 O4 P2 Rh2 S2 -","2","1","AB0187","Basson, S. S.; Leipoldt, J. G.; Roodt, A.; Preston, H.","Structure of carbonyl(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)(triphenylphosphine)rhodium(I)","Acta Crystallographica Section C","1991","47","9","1961","1963","10.1107/S0108270191002512","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000257","9.97","0.004","9.9","0.002","19.79","0.01","90","","102.09","","90","","1910","1.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Li2 O13 -","- C22 H21 Li O9 -","- C88 H84 Li4 O36 -","4","1","ST0494","Sachleben, R. A.; Burns, J. H.","Lithium dibenzo-14-crown-4-acetate–ethanol (2/1)","Acta Crystallographica Section C","1991","47","9","1968","1969","10.1107/S0108270191002858","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000258","12.07","0.02","9.976","0.01","22.76","0.04","90","","91.6","0.1","90","","2739","7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 Sn -","- C28 H40 O4 Sn -","- C112 H160 O16 Sn4 -","4","1","CR0312","Garbauskas, M. F.; Wengrovius, J. H.","Structure of dibutanidobis(2,4,6-trimethylbenzoato)tin","Acta Crystallographica Section C","1991","47","9","1969","1971","10.1107/S0108270191002950","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000259","6.623","0.001","10.81","0.002","15.297","0.002","90","","96.82","0.01","90","","1087.4","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 F N O2 -","- C12 H12 F N O2 -","- C48 H48 F4 N4 O8 -","4","1","CR0268","Kwiatkowski, W.; Karolak-Wojciechowska, J.","Structure of <i>N</i>-ethyl-<i>m</i>-fluorophenylsuccinimide","Acta Crystallographica Section C","1991","47","9","1978","1980","10.1107/S0108270191000872","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000260","11.196","0.002","16.49","0.003","7.733","0.001","90","","108.64","0.02","90","","1352.8","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","CR0290","Shoja, M.; Saba, S.","3-Isopropyl-2-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,3-oxazine","Acta Crystallographica Section C","1991","47","9","1994","1996","10.1107/S0108270191001658","","","1.54184","cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000261","9.324","0.002","12.038","0.003","11.252","0.003","90","","90","","90","","1263","0.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C10 H14 F3 N O3 S -","- C10 F3 N O3 S -","- C40 F12 N4 O12 S4 -","4","1","HA0039","Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G.","5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole","Acta Crystallographica Section C","1991","47","9","2000","2002","10.1107/S0108270191002238","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000262","10.428","0.003","24.094","0.007","16.197","0.004","90","","98.5","0.02","90","","4024.8","1.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 N S Si -","- C19 H29 N S Si -","- C152 H232 N8 S8 Si8 -","8","2","HA0040","Tinant, B.; Declercq, J.-P.; Roekens, B.","4-Phenylthio-2-(triisopropylsilyl)but-2-enenitrile","Acta Crystallographica Section C","1991","47","9","2007","2008","10.1107/S010827019100224X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000263","16.439","0.003","9.448","0.002","7.478","0.002","90","","90","","90","","1161.5","0.4","","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.5","ST0509","Huang, N.-T.; Pennington, W. T.; Petersen, J. D.","Structure of 2,3-bis(2-pyridyl)pyrazine","Acta Crystallographica Section C","1991","47","9","2011","2012","10.1107/S010827019100272X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000264","16.17","0.01","8.15","0.01","32.01","0.01","90","","93.52","0.04","90","","4210","6","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C4 H22 N8 O15 S2 Th -","- C4 H22 N8 O15 S2 Th -","- C32 H176 N64 O120 S16 Th8 -","8","1","MU0237","Habash, J.; Beddoes, R. L.; Smith, A. J.","Structure of aquabis(sulfato)tetrakis(urea)thorium(IV) dihydrate","Acta Crystallographica Section C","1991","47","8","1595","1597","10.1107/S0108270191001543","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","189368","2020-10-21","18:00:00",""
"2000265","5.424","0.004","5.594","0.006","12.078","0.009","83","0.08","85.73","0.06","85.18","0.07","361.7","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ca O14 P2 -","- C6 H12 Ca O14 P2 -","- C6 H12 Ca O14 P2 -","1","0.5","MU0223","Lis, T.; Kuczek, M.","Structure of calcium bis(phosphoenolpyruvate) dihydrate","Acta Crystallographica Section C","1991","47","8","1598","1600","10.1107/S0108270191001531","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000266","18.195","0.008","9.436","0.003","11.316","0.005","90","","90","","90","","1942.8","1.4","","","","","","","","","","","","6","P n a 21","","","","","","- C11 H23 Co Na O9 P3 -","- C11 H23 Co Na O9 P3 -","- C44 H92 Co4 Na4 O36 P12 -","4","1","MU0208","Kläui, W.; Matt, D.; Balegroune, F.; Grandjean, D.","Structure of an organometallic polymer, [Na{(η^5^-C~5~H~5~)Co[P(O)(OMe)~2~]~3~}]~<i>n~</i>","Acta Crystallographica Section C","1991","47","8","1614","1617","10.1107/S010827019100152X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000267","7.382","0.001","21.494","0.004","8.032","0.001","90","","94.26","0.01","90","","1270.9","0.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl Cu N4 O3.5 -","- C10 H10 Cl Cu N4 O3.5 -","- C40 H40 Cl4 Cu4 N16 O14 -","4","1","AB0184","Mathews, I. I.; Manohar, H.","Structure of a monochloro bridged polymeric copper(II)-di-2-pyridylamine complex: [Cu(dipyam)Cl(NO~3~)].0.5H~2~O","Acta Crystallographica Section C","1991","47","8","1621","1624","10.1107/S0108270191001233","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000268","6.793","0.002","7.209","0.011","11.405","0.004","88.77","0.07","89.06","0.02","74.62","0.06","538.4","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C24 H24 N4 O8 -","2","1","MU0215","Baggett, N.; Case, M. A.; Foulon, J.-D.; Gray, C. J.; Hamor, T. A.","The rearrangement of coumarin-4-acethydrazides. Structure of 1-amino-4-(2-hydroxy-4-methoxyphenyl)-2,6(1<i>H</i>,3<i>H</i>)-pyridinedione","Acta Crystallographica Section C","1991","47","8","1670","1672","10.1107/S0108270190013890","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","200475","2020-10-21","18:00:00",""
"2000269","11.348","0.001","4.854","0.001","14.629","0.001","90","","99.87","0.01","90","","793.89","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O6 -","- C14 H20 N2 O6 -","- C28 H40 N4 O12 -","2","0.5","MU0218","Główka, M. L.","Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate","Acta Crystallographica Section C","1991","47","8","1680","1683","10.1107/S0108270190013932","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000270","39.365","0.002","10.147","0.001","9.937","0.001","90","","90","","90","","3969.2","0.6","","","","","","","","","","","","4","P c c n","","","","","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C128 H192 N32 O64 -","16","2","MU0218","Główka, M. L.","Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate","Acta Crystallographica Section C","1991","47","8","1680","1683","10.1107/S0108270190013932","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000271","9.131","0.001","9.131","0.001","8.146","0.003","90","","90","","90","","679.2","0.3","","","","","","","","","","","","4","P 4/n c c","-P 4a 2ac","","","","","- As2 H4 O9 V -","- As2 H4 O9 V -","- As8 H16 O36 V4 -","4","","CR0308","Wang, S.-L.; Lee, W.-C.","Structure of vanadyl(IV) dihydrogenarsenate","Acta Crystallographica Section C","1991","47","8","1709","1711","10.1107/S0108270191002214","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000272","15.239","0.002","16.376","0.003","28.964","0.004","90","","90","","90","","7228.1","1.9","","","","","","","","","","","","7","P b c a","","","","","","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C152 H368 Cl16 Fe16 Mo24 N48 O104 -","8","1","ST0478","Lettko, K.; Liu, S.; Zubieta, J.","Structure of [<i>L</i>Fe(μ-MoO~4~)~3~Fe<i>L</i>].CH~2~Cl~2~.H~2~O (<i>L</i> = 1,4,7-trimethyl-1,4,7-triazacyclononane)","Acta Crystallographica Section C","1991","47","8","1723","1725","10.1107/S0108270191002111","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2000273","6.671","0.001","6.683","0.001","16.357","0.003","93.1","0.02","92.85","0.01","117.69","0.01","642.46","0.19","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 Ni O22 -","- C18 H30 Ni O22 -","- C18 H30 Ni O22 -","1","0.5","MU0234","Pech, R.; Pickardt, J.","Hexaaquanickel(II) bis[1,2,3-benzenetricarboxylate(1‒)] tetrahydrate","Acta Crystallographica Section C","1991","47","8","1731","1732","10.1107/S0108270191001567","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000274","8.982","0.004","9.155","0.004","16.514","0.005","90","","114.18","0.03","90","","1238.8","0.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C4 H10 Mn O6 -","- C4 H10 Mn O6 -","- C24 H60 Mn6 O36 -","6","1.5","CR0307","Cheng, C.-Y.; Wang, S.-L.","Structure of manganese acetate dihydrate","Acta Crystallographica Section C","1991","47","8","1734","1736","10.1107/S0108270191002202","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000275","7.827","0.002","9.796","0.002","15.548","0.004","76.53","0.02","75.4","0.02","74.36","0.02","1093.4","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H7 Br N3 O -","- C44 H28 Br4 N12 O4 -","4","2","CR0291","Cody, V.; Wojtczak, A.","Structure of 6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile hydrogen bromide","Acta Crystallographica Section C","1991","47","8","1742","1744","10.1107/S0108270191000355","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000276","16.474","0.001","13.132","0.001","7.638","0.001","90","","99.24","0.01","90","","1630.9","0.3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","0.5","AB0171","Woźniak, K.","Structure of 2,3-di(2-pyridyl)-6,7-dimethylquinoxaline","Acta Crystallographica Section C","1991","47","8","1761","1763","10.1107/S0108270191001269","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000277","9.759","0.001","12.252","0.002","13.017","0.002","90","","108.65","0.01","90","","1474.7","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 I2 Mn2 O8 -","- C8 I2 Mn2 O8 -","- C32 I8 Mn8 O32 -","4","1","CR0280","Davies, J. A.; El-Ghanam, M.; Pinkerton, A. A.","Di-μ-iodo-bis[tetracarbonylmanganese(I)]","Acta Crystallographica Section C","1991","47","7","1356","1358","10.1107/S010827019100015X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000278","13.278","0.005","24.462","0.008","10.823","0.003","90","","90","","90","","3515","2","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 Br2 N O Os P2 -","- C39 H33 Br2 N O Os P2 -","- C156 H132 Br8 N4 O4 Os4 P8 -","4","1","CR0287","Robinson, P. D.; Ali, I. A.; Hinckley, C. C.","Structures of <i>c</i>-acetonitrile-<i>ab</i>-dibromo-<i>d</i>-carbonyl-<i>ef</i>-bis(triphenylphosphine)osmium(2+) and <i>b</i>-acetonitrile-<i>af</i>-dibromo-<i>d</i>-carbonyl-<i>ce</i>-bis(triphenylphosphine)osmium(2+)","Acta Crystallographica Section C","1991","47","7","1397","1401","10.1107/S0108270191000173","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000279","10.326","0.005","15.461","0.01","22.961","0.008","90","","91.15","0.05","90","","3665","3","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Br2 N O Os P2 -","- C39 H33 Br2 N O Os P2 -","- C156 H132 Br8 N4 O4 Os4 P8 -","4","1","CR0287","Robinson, P. D.; Ali, I. A.; Hinckley, C. C.","Structures of <i>c</i>-acetonitrile-<i>ab</i>-dibromo-<i>d</i>-carbonyl-<i>ef</i>-bis(triphenylphosphine)osmium(2+) and <i>b</i>-acetonitrile-<i>af</i>-dibromo-<i>d</i>-carbonyl-<i>ce</i>-bis(triphenylphosphine)osmium(2+)","Acta Crystallographica Section C","1991","47","7","1397","1401","10.1107/S0108270191000173","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000280","11.296","0.004","8.471","0.003","18.889","0.002","90","","98.83","0.02","90","","1786","0.9","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 F N2 -","- C12 H7 F N2 -","- C96 H56 F8 N16 -","8","1","AB0101","Hökelek, T.","Structural investigations of benzo[<i>c</i>]cinnoline derivatives. III. Structure of 2-fluorobenzo[<i>c</i>]cinnoline","Acta Crystallographica Section C","1991","47","7","1432","1434","10.1107/S0108270190011611","","","1.54184","cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000281","5.632","0.001","14.636","0.003","13.914","0.003","90","","90.57","0.01","90","","1146.9","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","2","AB0162","Padmaja, N.; Ramakumar, S.; Viswamitra, M. A.","Structure of 5-methylcytidine","Acta Crystallographica Section C","1991","47","7","1445","1448","10.1107/S0108270190012264","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000282","10.154","0.007","11.82","0.009","15.038","0.008","96.02","0.05","107.54","0.04","110.34","0.05","1569","2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N2 O10 -","- C30 H40 N2 O10 -","- C60 H80 N4 O20 -","2","1","AB0170","Stensland, B.; Batt, J.-P.; Lamouri, A.; Godfroid, J.-J.","Platelet activating factor antagonists. Structure of <i>N</i>,<i>N</i>'-bis(3,4,5-trimethoxybenzoyl)-2-piperazinylmethyl 2,2-dimethylpropanoate","Acta Crystallographica Section C","1991","47","7","1453","1457","10.1107/S0108270190012446","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","200475","2020-10-21","18:00:00",""
"2000283","10.28","0.01","15.45","0.03","6.752","0.002","90","","95.88","0.06","90","","1067","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","HE0004","Bałczewski, P.; Beddoes, R. L.; Joule, J. A.","Structure of methyl 1,3-dihydro-4-methyl-3-oxofuro[3,4-<i>b</i>]pyridin-1-ylacetate","Acta Crystallographica Section C","1991","47","7","1457","1460","10.1107/S0108270190012434","","","1.54178","cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000284","9.709","0.002","13.311","0.002","17.487","0.005","90","","116.29","0.05","90","","2026.2","1.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br F -","- C12 H8 Br F -","- C96 H64 Br8 F8 -","8","2","ST0469","Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B.","Structure of 4-bromo-4'-fluorobiphenyl","Acta Crystallographica Section C","1991","47","7","1473","1476","10.1107/S0108270190012811","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000285","10.397","0.004","23.018","0.016","11.667","0.003","90","","90","","90","","2792","2","","","","","","","","","","","","4","P c a 21","","","","","","- C31 H41 N O3 -","- C31 H41 N O3 -","- C124 H164 N4 O12 -","4","1","CR0273","Luss, H. R.; Texter, J.","Structure of <i>N</i>-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthalenecarboxamide","Acta Crystallographica Section C","1991","47","7","1491","1493","10.1107/S0108270190012859","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","190701","2020-10-21","18:00:00",""
"2000286","4.748","0.003","8.362","0.006","11.428","0.007","90","","92.01","0.03","90","","453.4","0.5","","","","","","","","","","","","3","P 1 21 1","","","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","1","AB0175","Kopf, J.; Köll, P.; Angyal, S. J.","Structure of <small>D</small>-<i>glycero</i>-<small>L</small>-<i>galacto</i>-heptitol","Acta Crystallographica Section C","1991","47","7","1503","1506","10.1107/S010827019001349X","","","1.54051","cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000287","5.005","0.005","17.69","0.009","18.7","0.01","90","","90","","90","","1656","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","1","CR0283","Krause, J. A.; Eggleston, D. S.","Proline conformations in linear peptides. Structure determination of the methyl ester of <i>N</i>-benzyloxycarbonyl-<small>L</small>-prolyl-<small>D</small>-alanine (<i>N</i>-Z-<small>L</small>-Pro-<small>D</small>-Ala-OMe)","Acta Crystallographica Section C","1991","47","7","1508","1512","10.1107/S0108270191000161","","","1.54056","cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000288","7.1738","0.0008","10.11","0.002","13.394","0.002","70.34","0.01","75.61","0.01","79.34","0.01","880.6","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Br N5 O4 -","- C14 H22 Br N5 O4 -","- C28 H44 Br2 N10 O8 -","2","1","AB0167","Kivekäs, R.; Sundberg, M. R.; Ruiz, J.; Colacio, E.","6-Amino-1,3-dimethyl-5-(2-ethylphenylazonio)uracil bromide dihydrate","Acta Crystallographica Section C","1991","47","7","1512","1515","10.1107/S010827019001318X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000289","10.385","0.002","16.419","0.003","7.539","0.005","90","","106.73","0.04","90","","1231.1","0.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","LI0058","Street, J. D.; Mills, O. S.; Joule, J. A.","Structure of 1-acetyl-7,8-dimethoxypyrrolo[2,3,4-<i>ij</i>]isoquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1991","47","7","1523","1525","10.1107/S0108270190013907","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000290","5.2789","0.0005","14.998","0.002","5.4868","0.0005","90","","90","","90","","434.41","0.08","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.65 Al0.35 Ca1.6 Co O5 Pr0.37 -","- Al Ca2 Co2 O5 Pr2 -","- Al4 Ca8 Co8 O20 Pr8 -","4","0.5","CR0289","Lee, J. Y.; Swinnea, J. S.; Steinfink, H.","(Ca~1{-~<i>x</i>}Pr~<i>x~</i>)~2~(Co~1{-~<i>y</i>}Al~<i>y~</i>)~2~O~5~, a brownmillerite structure","Acta Crystallographica Section C","1991","47","7","1532","1534","10.1107/S0108270191000343","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000291","10.09","0.003","7.578","0.006","16.454","0.005","90","","103.92","0.01","90","","1221.2","1.1","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br2 N3 Pt S -","- C10 H7 Br2 N3 Pt S -","- C40 H28 Br8 N12 Pt4 S4 -","4","1","ST0491","Rong, M.; Muir, M. M.; Cádiz, M. E.; Muir, J. A.","Structure of a platinum(II) complex with a ligand containing thiazole and benzimidazole","Acta Crystallographica Section C","1991","47","7","1539","1541","10.1107/S0108270191000318","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000292","5.7017","0.0006","9.404","0.001","22.104","0.004","91.45","0.01","93.17","0.01","104.17","0.01","1146.4","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H39 N S3 -","- C21 H39 N S3 -","- C42 H78 N2 S6 -","2","1","AB0173","Hjorth, M.; Thorup, N.; Jørgensen, M.; Bechgaard, K.","Structure of 2-<i>N</i>,<i>N</i>-dimethylamino-5-hexadecyl-1,3-dithiolium-4-thiolate","Acta Crystallographica Section C","1991","47","7","1548","1550","10.1107/S0108270190013038","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000293","12.768","0.002","7.416","0.003","19.206","0.003","90","","98.71","0.01","90","","1797.6","0.8","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C20 H22 N4 O2 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","AB0178","Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.","Structure of the 1:1 adduct of 2-phenyl-4-(4,6-dimethyl-2-pyrimidinyl)aminomethylene-5(4<i>H</i>)-oxazolone and acetic acid","Acta Crystallographica Section C","1991","47","7","1552","1554","10.1107/S0108270191000276","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000294","11.076","0.001","11.314","0.001","12.155","0.001","104.41","0.01","102.02","0.01","89.37","0.01","1441.6","0.2","","","","","","","","","","","","4","P 1","P 1","1","","","","- C27 H32 N2 O7 -","- C27.5 H32 N2 O7 -","- C55 H64 N4 O14 -","2","2","MU0231","Driessen, R. A. J.; Fraanje, J.","Structure of methyl (4a<i>S</i>,5<i>R</i>,7a<i>R</i>,11a<i>R</i>,12a<i>S</i>)-2-benzyl-2,3,4,4a,5,6,7,7a,8,10,11a,12-dodecahydro-7,7-(ethylenedioxy)-1,9-dioxooxazolo[3',4':1,2]pyrrolo[5,4-<i>i</i>]isoquinoline-5-carboxylate toluene (2/1)","Acta Crystallographica Section C","1991","47","7","1554","1557","10.1107/S0108270191000653","","","1.54184","cu","","","","","","","","","","","","","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2000295","10.2759","0.0012","22.353","0.003","10.4051","0.0012","90","","106.502","0.009","90","","2291.6","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C48 H66 N4 O11 -","- C48 H65 N4 O11 -","- C96 H130 N8 O22 -","2","1","ST0486","Lynch, V. M.; Stamford, A.; Magnus, P.; Davis, B. E.","Structure of 18'-epivinblastine","Acta Crystallographica Section C","1991","47","7","1563","1566","10.1107/S010827019100029X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000296","8.813","0.002","9.043","0.002","25.643","0.005","90","","90","","90","","2043.6","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","1","ST0488","Lynch, V. M.; Yaser, H. K.; Whitesell, J. K.; Davis, B. E.","The structure at 198 K of (1<i>R</i>,5<i>R</i>,15<i>R</i>,16<i>R</i>)-5-isopropenyl-2-methyl-1-[<i>N</i>-(<i>trans</i>-2-phenylcyclohexyloxycarbonyl)amino]-2-cyclohexene","Acta Crystallographica Section C","1991","47","7","1566","1568","10.1107/S0108270191000306","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000297","13.155","0.002","13.397","0.002","12.369","0.002","90","","90","","90","","2179.9","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C92 H124 Cl4 O16 -","4","1","CR0285","Wawrzak, Z.; Grochulski, P.; Galdecki, Z.; Griffin, J. F.; Strong, P. D.; Duax, W. L.","Structure of 6α-chloro-3,20-dioxo-4-pregnen-17α-yl acetate","Acta Crystallographica Section C","1991","47","7","1568","1570","10.1107/S0108270191000331","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000298","6.7201","0.0005","7.3601","0.0004","10.7671","0.0006","97.607","0.005","108.002","0.005","93.935","0.006","498.62","0.06","","","","","","","","","","","","5","P -1","-P 1","2","","","","- H10 I K2 Na O10 -","- H10 I K2 Na O10 -","- H20 I2 K4 Na2 O20 -","2","1","AB0172","Kellersohn, T.","Structure of potassium sodium orthoperiodate(VII) tetrahydrate","Acta Crystallographica Section C","1991","47","6","1133","1136","10.1107/S0108270190013269","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000299","13.058","0.005","16.153","0.009","7.585","0.004","90","","90","","90","","1599.9","1.4","","","","","","","","","","","","4","I b a 2","","","","","","- C10 H12 Ni S8 -","- C10 H12 Ni S8 -","- C40 H48 Ni4 S32 -","4","0.5","ST0464","Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.","Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K","Acta Crystallographica Section C","1991","47","6","1164","1167","10.1107/S0108270190013117","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000300","13.027","0.003","16.042","0.006","7.486","0.002","90","","90","","90","","1564.4","0.8","","","","","","","","","","","","4","I b a 2","","","","","","- C10 H12 Ni S8 -","- C10 H12 Ni S8 -","- C40 H48 Ni4 S32 -","4","0.5","ST0464","Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.","Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K","Acta Crystallographica Section C","1991","47","6","1164","1167","10.1107/S0108270190013117","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000301","7.976","0.001","8.959","0.003","24.936","0.008","90","","99","0.02","90","","1759.9","0.9","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 Fe O2 P -","- C18 H15 F6 Fe O2 P -","- C72 H60 F24 Fe4 O8 P4 -","4","1","ST0468","Abboud, K. A.; Simonsen, S. H.; Piórko, A.; Sutherland, R. G.","Structure of (η^5^-cyclopentadienyl)(1,2,3,4,4a,10a-η^6^-2-methyldibenzo[<i>b</i>,<i>e</i>][1,4]dioxine)iron(II) hexafluorophosphate at 163 K","Acta Crystallographica Section C","1991","47","6","1198","1202","10.1107/S0108270190014111","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000302","15.415","0.006","16.422","0.005","15.535","0.004","90","","90","","90","","3933","2","","","","","","","","","","","","5","P b c a","","","","","","- C14 H16 N10 Ni S2 -","- C14 H16 N10 Ni S2 -","- C112 H128 N80 Ni8 S16 -","8","1","MU0213","Koman, M.; Jóna, E.; Mašlejová, A.","Structural investigations of nickel(II) complexes. IX. Structure of tetrakis(imidazole)bis(isothiocyanato)nickel(II)","Acta Crystallographica Section C","1991","47","6","1206","1208","10.1107/S0108270190013920","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000303","8.429","0.006","11.271","0.003","12.606","0.003","76.302","0.008","78.32","0.004","78.227","0.008","1124","0.9","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 N3 O7 S -","- C21 H29 N3 O8 S -","- C42 H58 N6 O16 S2 -","2","1","MU0168","Eliopoulos, E.; Sheldrick, B.; Hamodrakas, S.","4,5-Dimethoxy-2-[3-(1,4-oxazinan-4-yl)-3-oxopropyl]-<i>N</i>-(2-pyridyl)benzenesulfonamide methanol solvate","Acta Crystallographica Section C","1991","47","6","1212","1215","10.1107/S0108270190010174","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","206341","2020-10-21","18:00:00",""
"2000304","10.819","0.005","6.591","0.006","18.044","0.008","90","","92.91","0.04","90","","1285","1.4","","","","","","","","","","","","3","P 1 21 1","","","","","","- C24 H36 O11 -","- C24 H36 O11 -","- C48 H72 O22 -","2","1","ST0487","Sun, K.-L.; Chan, J. A.; Baures, P. W.; Eggleston, D. S.","Paucin methanolate","Acta Crystallographica Section C","1991","47","6","1253","1256","10.1107/S0108270190014068","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000305","10.071","0.007","19.218","0.015","19.406","0.014","90","","90","","90","","3756","5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R)-2-Ethyl-2-methyl-4-phenyl-N-[(S)-1-phenylethyl]-(E)-3-butenamide","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","2","LI0051","Alcock, N. W.; Richards, C. J.; Thomas, S. E.","Structure of a chiral amide derived from a (vinylketenimine)tricarbonyliron(0) complex","Acta Crystallographica Section C","1991","47","6","1261","1263","10.1107/S0108270190011143","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000306","9.637","0.002","9.82","0.002","11.505","0.002","73.4","0.01","65.41","0.01","69.29","0.01","913.7","0.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Cu F6 N4 O6 S2 -","- C32 H30 Cu F6 N4 O6 S2 -","- C32 H30 Cu F6 N4 O6 S2 -","1","0.5","LI0049","Gou, S.-H.; You, X.-Z.; Xu, Z.; Zhou, Z.-Y.; Yu, K.-B.; Yu, Y.-P.; Zhu, D.-L.","Structure of <i>catena</i>-poly{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-κ^2^<i>O</i>,<i>O</i>']copper-μ-(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>'}–<i>N</i>,<i>N</i>-dimethylformamide (1/2)","Acta Crystallographica Section C","1991","47","6","1303","1305","10.1107/S0108270190011672","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000307","7.978","0.002","9.428","0.002","9.627","0.002","75.46","0.02","67.86","0.02","73.84","0.02","635.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H44 Al4 N4 -","- C18 H44 Al4 N4 -","- C18 H44 Al4 N4 -","1","0.5","ST0480","Self, M. F.; Pennington, W. T.; Robinson, G. H.","Structure of a second polymorph of [Al(CH~3~)]~2~[14]aneN~4~[Al(CH~3~)~3~]~2~","Acta Crystallographica Section C","1991","47","6","1309","1310","10.1107/S0108270190013130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208360","2020-10-21","18:00:00",""
"2000308","10.678","0.002","15.924","0.004","27.237","0.005","90","","100.92","0.02","90","","4547.4","1.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 O10 Os3 P2 Pt -","- C37 H56 O10 Os3 P2 Pt -","- C148 H224 O40 Os12 P8 Pt4 -","4","1","MU0219","Farrugia, L. J.","Structure of 1,2,2,2,3,3,3,4,4,4-decacarbonyl-1,2:3,4-di-μ-hydrido-1-tricyclohexylphosphine-3-triisopropylphosphineplatinumtriosmium(2 <i>Pt</i>‒<i>Os</i>)(3 <i>Os</i>‒<i>Os</i>)","Acta Crystallographica Section C","1991","47","6","1310","1312","10.1107/S0108270190013944","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000309","9.7046","0.0009","13.742","0.003","16.285","0.001","90","","90","","90","","2171.8","0.5","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H35 Br2 N3 Ni O4 -","- C15 H35 Br2 N3 Ni O4 -","- C60 H140 Br8 N12 Ni4 O16 -","4","1","MU0222","Farrugia, L. J.; Peacock, R. D.","Structure of 1,4,7-tris[(2<i>S</i>)-2-hydroxypropyl]-1,4,7-triazacyclononanenickel(II) dibromide monohydrate","Acta Crystallographica Section C","1991","47","6","1312","1313","10.1107/S0108270190014007","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000310","12.514","0.001","15.067","0.001","9.588","0.001","90","","107.47","0.01","90","","1724.4","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","ST0481","Mullica, D. F.; Belew, J. S.; Sappenfield, E. L.; Leschnitzer, D. H.","Structure of ethyl 3'-ethyl-6-methoxy-5'-oxo-1,2-cyclopent-1',3'-dienonaphthalene-4'-acetate","Acta Crystallographica Section C","1991","47","6","1330","1332","10.1107/S0108270190013063","","","1.54184","cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000311","5.9496","0.001","11.483","0.003","40.262","0.007","90","","90","","90","","2750.7","1","","","","","","","","","","","","4","P b c a","","","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C120 H128 O32 S8 -","8","1","ST0484","Lynch, V. M.; Daniel, D.; Martin, S. F.; Davis, B. E.","Structure of (±)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section C","1991","47","6","1340","1342","10.1107/S0108270190013142","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000312","8.2878","0.0008","31.018","0.004","9.2267","0.0007","90","","105.211","0.007","90","","2288.8","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C47 H66 N4 O12 -","- C47 H66 N4 O12 -","- C94 H132 N8 O24 -","2","1","ST0489","Lynch, V. M.; Stamford, A.; Magnus, P.; Davis, B. E.","Structure of a novel bisindole derivative","Acta Crystallographica Section C","1991","47","6","1342","1345","10.1107/S0108270190013191","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000313","9.359","0.002","10.117","0.001","24.71","0.004","90","","90","","90","","2339.7","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C100 H140 N4 O16 -","4","1","ST0490","Lynch, V. M.; Austin, R. E.; Martin, S. F.; George, T.","Determination of the absolute configuration of a novel dipeptide isostere","Acta Crystallographica Section C","1991","47","6","1345","1347","10.1107/S0108270190013208","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000314","8.433","0.002","12.932","0.001","10.503","0.003","90","","111.77","0.01","90","","1063.7","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","LI0060","Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.","Structure of 1-(2-methyl-2,3-dihydrobenzothiazol-2-yl)-2-propanone","Acta Crystallographica Section C","1991","47","6","1347","1348","10.1107/S0108270190013695","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000315","8.886","0.008","15.025","0.007","11.928","0.005","90","","90","","90","","1592.5","1.7","","","","","","","","","","","","6","P c c n","","","","","","- C10 H10 Br2 Cu N8 O -","- C10 H10 Br2 Cu N8 O -","- C40 H40 Br8 Cu4 N32 O4 -","4","0.5","AB0165","van Albada, G. A.; de Graaff, R. A. G.; Haasnoot, J. G.; Schild, J.; Reedijk, J.","Structure of aquadibromobis(1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>3)copper(II), a one-dimensional alternating copper(II)^{···^} oxygen array","Acta Crystallographica Section C","1991","47","5","946","949","10.1107/S010827019001191X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000316","11.586","0.002","7.279","0.001","13.742","0.002","90","","96.02","0.02","90","","1152.5","0.3","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C16 H32 Cu2 N6 O4 -","- C16 H32 Cu2 N8 O4 -","- C32 H64 Cu4 N16 O8 -","2","0.5","LI0052","Zukerman-Schpector, J.; Castellano, E. E.; De Simone, C. A.; Oliva, G.; Mauro, A. E.","Structure of di-μ-cyanato-bis[cyanato(<i>N</i>,<i>N</i>-diethylethylenediamine)copper(II)], [Cu(NCO)~2~(diEten)]~2~","Acta Crystallographica Section C","1991","47","5","957","959","10.1107/S0108270190011416","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000317","18.829","0.003","8.809","0.003","20.969","0.003","90","","90","","90","","3478","1.4","","","","","","","","","","","","5","P b c n","","","","","","- C16 H15 Cl3 O Te -","- C16 H15 Cl3 O Te -","- C128 H120 Cl24 O8 Te8 -","8","1","LI0056","Zukerman-Schpector, J.; Castellano, E. E.; Oliva, G.; Comasseto, J. V.; Stefani, H. A.","Structure of dichloro[(<i>Z</i>)-2-chloro-2-<i>p</i>-tolylvinyl](<i>p</i>-methoxyphenyl)tellurium(VI)","Acta Crystallographica Section C","1991","47","5","960","962","10.1107/S0108270190012288","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2000318","17.696","0.003","7.175","0.004","17.155","0.001","90","","117.15","0.01","90","","1938.2","1.1","","","","","","","","","","","","7","I 1 2/c 1","","","","","","- C3 H11 Cl2 N2 O P Pt -","- C3 H12 Cl2 N2 O1.5 P Pt -","- C24 H96 Cl16 N16 O12 P8 Pt8 -","8","1","AB0164","Macíček, J.; Angelova, O.; Dodoff, N.","Structure of <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II) hemihydrate","Acta Crystallographica Section C","1991","47","5","971","973","10.1107/S0108270190012689","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000319","10.697","0.001","11.467","0.002","14.229","0.002","90","","98.86","0.01","90","","1724.5","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","TR0399","Reynolds, W. F.; Lough, A. J.; Sawyer, J. F.; Enriquez, R. G.; Ortiz, B.; Walls, F.","Structure of (4α)-kaura-9(11),16-dien-18-oic acid (grandiflorenic acid), an active ingredient of the Mexican medicinal plant zoapatle","Acta Crystallographica Section C","1991","47","5","973","977","10.1107/S0108270190008186","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000320","15.74","0.001","17.279","0.003","8.757","0.002","90","","101.67","0.01","90","","2332.4","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N4 O3 -","- C24 H32 N4 O3 -","- C96 H128 N16 O12 -","4","1","MU0210","Główka, M. L.; Codding, P. W.","Structure of <i>N</i>-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-<i>N</i>'-(4-methoxyphenyl)urea","Acta Crystallographica Section C","1991","47","5","1038","1040","10.1107/S010827019001023X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000321","10.313","0.0007","14.292","0.002","10.6086","0.0008","90","","99.135","0.007","90","","1543.8","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","1","MU0214","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. III. Structures of 6-acetyl-1,1,2,3,3,5-hexamethylindan (musk phantolid) (I) and 6-acetyl-3-isopropyl-1,1,3,5-tetramethylindan (II)","Acta Crystallographica Section C","1991","47","5","1044","1047","10.1107/S0108270190010435","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000322","6.279","0.004","7.306","0.005","11.177","0.007","90","","90","","90","","512.7","0.6","","","","","","","","","","","","4","P b c m","","","","","","- La2 O4 Se Si -","- La2 O4 Se Si -","- La8 O16 Se4 Si4 -","4","0.5","ST0474","Brennan, T. D.; Ibers, J. A.","Lanthanum orthosilicate selenide, La~2~SeSiO~4~","Acta Crystallographica Section C","1991","47","5","1062","1064","10.1107/S010827019001201X","","","0.7093","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000323","8.476","0.005","13.747","0.002","15.951","0.003","90","","90","","90","","1858.6","1.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Au Cl P -","- C18 H27 Au Cl P -","- C72 H108 Au4 Cl4 P4 -","4","1","ST0467","Muir, J. A.; Cuadrado, S. I.; Muir, M. M.","Structure of chloro(dicyclohexylphenylphosphine)gold(I)","Acta Crystallographica Section C","1991","47","5","1072","1074","10.1107/S0108270190011994","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000324","8.524","0.002","8.524","0.002","17.452","0.004","90","","90","","90","","1268","0.5","","","","","","","","","","","","5","P 42/m n m","","","","","","- C18 H18 F12 Ni O6 -","- C18 H18 F12 Ni O6 -","- C36 H36 F24 Ni2 O12 -","2","0.125","ST0475","Cervantes-Lee, F.; Porter, L. C.","Structure of bis(hexafluoroacetylacetonato)bis(tetrahydrofuran)nickel(II)","Acta Crystallographica Section C","1991","47","5","1076","1077","10.1107/S0108270190011581","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000325","11.688","0.003","15.377","0.005","9.466","0.002","90","","90","","90","","1701.3","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","CR0274","Duax, W. L.; Duax, S. J.; Strong, P. D.","Structure of 3-hydroxy-17-oxoestra-1,3,5(10)-trien-11β-yl acetate","Acta Crystallographica Section C","1991","47","5","1094","1096","10.1107/S0108270190011775","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000326","9.527","0.002","11.182","0.003","7.078","0.001","90","","108.45","0.01","90","","715.3","0.3","","","","","","","","","","","","3","P 1 21 1","","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","CR0272","Duax, W. L.; Griffin, J. F.; Strong, P. D.","Structure of 9β-estrone","Acta Crystallographica Section C","1991","47","5","1096","1097","10.1107/S0108270190011763","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000327","14.358","0.002","9.297","0.001","9.011","0.001","90","","90","","90","","1202.8","0.3","","","","","","","","","","","","3","P c a 21","","","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","LI0057","Zukerman-Schpector, J.; De Simone, C. A.; Castellano, E. E.; Oliva, G.; Tercio, J.; Ferreira, B.; Catani, V.","Structure of 6,7-dimethoxy-2,2-dimethyl-2<i>H</i>-chromene, a natural precocene","Acta Crystallographica Section C","1991","47","5","1111","1113","10.1107/S0108270190011854","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000328","7.083","0.001","5.072","0.001","12.794","0.008","90","","102.34","0.02","90","","449","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C24 H16 N4 -","2","0.5","AB0166","Woźniak, K.; Kariuki, B.; Jones, W.","Structure of phenazine","Acta Crystallographica Section C","1991","47","5","1113","1114","10.1107/S0108270190011842","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000329","8.7302","0.0012","15.597","0.002","14.463","0.002","90","","104.797","0.01","90","","1904","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C38 H56 N2 O9 -","- C38 H56 N2 O9 -","- C76 H112 N4 O18 -","2","1","ST0470","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a fully protected seco-erythronolide B acid derivative","Acta Crystallographica Section C","1991","47","5","1117","1120","10.1107/S0108270190012008","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000330","11.591","0.003","13.308","0.002","20.154","0.003","96.91","0.012","96.95","0.02","114.1","0.02","2767.1","1.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H55 Fe3 O20 -","- C54 H55 Fe3 O20 -","- C108 H110 Fe6 O40 -","2","1","ST0463","Lynch, V. M.; Sibert, J. W.; Sessler, J. L.; Davis, B. E.","Structure of aqua-hexakis(μ~2~-benzoato)-bis(methanol)-μ~3~-oxo-triiron(III) benzoate ethanol methanol solvate","Acta Crystallographica Section C","1991","47","4","866","869","10.1107/S010827019001085X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","200475","2020-10-21","18:00:00",""
"2000331","11.03","0.01","10.29","0.01","25.03","0.02","90","","116.8","0.1","90","","2536","5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cu N3 O4 -","- C27 H29 Cu N3 O4 -","- C108 H116 Cu4 N12 O16 -","4","1","LI0054","Breuer, S. W.; Small, R. W. H.","Bis(acetato)(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^<i>N</i>^2^,<i>N</i>^6^)copper(II)","Acta Crystallographica Section C","1991","47","4","871","872","10.1107/S0108270190010988","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000332","7.439","0.002","7.561","0.002","20.104","0.005","94.11","0.02","90.95","0.02","117.57","0.02","998.2","0.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl4 Co N4 O -","- C16 H16 Cl4 Co N4 O -","- C32 H32 Cl8 Co2 N8 O2 -","2","1","AB0147","Lindroos, S.; Lumme, P.","Structure of di(quinoxalinium) tetrachlorocobaltate(II) monohydrate","Acta Crystallographica Section C","1991","47","4","872","874","10.1107/S0108270190011064","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2000333","9.986","0.002","12.998","0.004","14.17","0.005","106.18","0.03","94.18","0.02","91.59","0.02","1759.5","0.9","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59 Cl P2 Pt -","- C30 H58 Cl P2 Pt -","- C60 H116 Cl2 P4 Pt2 -","2","1","ST0465","Mullica, D. F.; Sappenfield, E. L.; Leschnitzer, D. H.","Chloro(tri-<i>tert</i>-butylphosphino-<i>C</i>,<i>P</i>)(tricyclohexylphosphine)platinum(II)","Acta Crystallographica Section C","1991","47","4","874","876","10.1107/S0108270190011179","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","200475","2020-10-21","18:00:00",""
"2000334","6.694","0.001","17.498","0.001","34.959","0.005","90","","90","","90","","4094.8","0.9","","","","","","","","","","","","2","P b c a","","","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","ST0461","Abboud, K. A.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M.","Structure of <i>cis</i>-9,10-dibenzyl-9,10-dihydroanthracene at 193 K","Acta Crystallographica Section C","1991","47","4","880","882","10.1107/S0108270190010605","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000335","10.5052","0.0007","16.442","0.002","10.3415","0.0008","90","","95.358","0.006","90","","1778.4","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","ST0466","Lynch, V. M.; Mortimore, M.; Martin, S. F.; Davis, B. E.","Structure of (±)-7(<i>S</i>)-16-deformyl-21-oxogeissoschizine‒oxindole","Acta Crystallographica Section C","1991","47","4","908","910","10.1107/S0108270190010617","","","0.71073","MO","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000336","10.667","0.003","10.7972","0.0014","16.509","0.005","90","","90","","90","","1901.4","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","ST0471","Lynch, V. M.; Zinke, P. W.; Martin, S. F.; Davis, B. E.","Structure of a key intermediate in the asymmetric synthesis of (+)-KDO","Acta Crystallographica Section C","1991","47","4","910","912","10.1107/S0108270190011039","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000337","5.2717","0.0001","5.2717","0.0001","11.5801","0.0002","90","","90","","90","","321.82","0.01","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Bi Mo Na O4 -","- Bi2 Mo2 O4 -","- Bi8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.54154","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000338","5.2785","0.0001","5.2785","0.0001","11.641","0.0002","90","","90","","90","","324.348","0.01","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Bi Mo Na O4 -","- Bi2 Mo2 O4 -","- Bi8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.54154","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000339","5.3167","0.0004","5.3167","0.0004","11.66","0.0011","90","","90","","90","","329.6","0.05","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Ce Mo Na O4 -","- Ce2 Mo2 O4 -","- Ce8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.5415","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000340","5.3424","0.0004","5.3424","0.0004","11.7376","0.0011","90","","90","","90","","335.01","0.05","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- La Mo Na O4 -","- La2 Mo2 O4 -","- La8 Mo8 O16 -","4","0.25","CR0345","Teller, R. G.","Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data","Acta Crystallographica Section C","1992","48","12","2101","2104","10.1107/S0108270192001434","","","1.5415","Cu","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000341","7.524","0.002","7.512","0.002","7.395","0.002","90","","117.88","0.02","90","","369.45","0.18","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- Co3 H4 O10 P2 -","- Co3 H4 O10 P2 -","- Co6 H8 O20 P4 -","2","0.5","BX0567","Effenberger, H.","Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O","Acta Crystallographica Section C","1992","48","12","2104","2107","10.1107/S0108270192002920","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000342","7.268","0.002","9.886","0.003","5.331","0.001","90","","94.86","0.02","90","","381.66","0.17","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co H8 O10 P2 -","- Co H8 O10 P2 -","- Co2 H16 O20 P4 -","2","0.5","BX0567","Effenberger, H.","Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O","Acta Crystallographica Section C","1992","48","12","2104","2107","10.1107/S0108270192002920","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000343","12.3777","0.0004","7.21","0.0003","24.0192","0.0009","90","","99.67","0.002","90","","2113.09","0.14","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Al Co F7 Na2 -","- Al Co F7 Na2 -","- Al16 Co16 F112 Na32 -","16","2","DU0332","Gravereau, P.; Boireau, A.; Dance, J. M.; Trut, L.; Tressaud, A.","Structure of the cobalt weberite Na~2~CoAlF~7~","Acta Crystallographica Section C","1992","48","12","2108","2111","10.1107/S0108270192004621","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000344","9.105","0.002","9.588","0.002","11.753","0.003","78.21","0.02","80.45","0.02","69.72","0.01","937","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl Cu N4 O8 -","- C16 H13 Cl Cu N4 O12 -","- C32 H26 Cl2 Cu2 N8 O24 -","2","1","MU0283","Muñoz, M. C.; Ruiz, R.; Mollar, M.; Lloret, F.; Julve, M.; Solans, X.","Structure of methanol(nitrato)(2,2':6',2''-terpyridyl)copper(II) perchlorate","Acta Crystallographica Section C","1992","48","12","2111","2114","10.1107/S0108270192003342","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000345","9.79","0.003","18.05","0.004","15.118","0.004","90","","105.86","0.03","90","","2569.8","1.2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H23 Au Cl2 P2 Se -","- C25.5 H23 Au Cl2 P2 Se -","- C102 H92 Au4 Cl8 P8 Se4 -","4","1","HA0101","Jones, P. G.; Thöne, C.","Chloro[diphenyl(diphenylphosphino-κ<i>P</i>-methyl)phosphine selenide]gold(I) dichloromethane hemisolvate at 178 K","Acta Crystallographica Section C","1992","48","12","2114","2116","10.1107/S0108270192003949","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","202201","2020-10-21","18:00:00",""
"2000346","13.694","0.004","16.519","0.005","7.74","0.002","102.51","0.02","103.43","0.02","81.1","0.02","1652.5","0.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Ir O S -","- C17 H23 Ir O S -","- C68 H92 Ir4 O4 S4 -","4","2","HH0574","Chen, J.; Daniels, L. M.; Angelici, R. J.","Structure of a ring-opened 2,5-dimethylthiophene complex, (η^5^C~5~Me~5~)Ir(CO)(<i>C</i>,<i>S</i>-Me~2~C~4~H~2~S)","Acta Crystallographica Section C","1992","48","12","2120","2122","10.1107/S0108270192003895","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206333","2020-10-21","18:00:00",""
"2000347","6.545","0.004","10.235","0.005","12.174","0.006","74.4","0.03","85.02","0.04","78.64","0.03","769.6","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cu N2 O4 -","- C16 Cu N2 O4 -","- C32 Cu2 N4 O8 -","2","1","BX0579","Cueto, S.; Rys, P.; Straumann, H.-P.; Gramlich, V.; Rys, F. S.","Structure of copper(II) 3-cyanobenzoate","Acta Crystallographica Section C","1992","48","12","2122","2124","10.1107/S0108270192002932","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000348","7.408","0.003","14.318","0.005","7.188","0.003","90","","112.59","0.04","90","","703.9","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H12 Cl4 N4 Sn -","- C8 H12 Cl4 N4 Sn -","- C16 H24 Cl8 N8 Sn2 -","2","0.5","NA1002","Casellato, U.; Graziani, R.; Sánchez González, A.","Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV)","Acta Crystallographica Section C","1992","48","12","2125","2126","10.1107/S0108270192003822","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000349","12.488","0.002","14.198","0.003","16.848","0.003","66.65","0.03","69.65","0.03","86.66","0.03","2560.4","1.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H98 Cl12 Gd4 N12 O24 -","- C78 H98 Cl12 Gd4 N12 O24 -","- C78 H98 Cl12 Gd4 N12 O24 -","1","0.5","HH0610","Smith, P. H.; Ryan, R. R.","Structure of a gadolinium hexaaza macrocycle complex with a Gd~2~(OAc)~8~ counterion","Acta Crystallographica Section C","1992","48","12","2127","2130","10.1107/S0108270192003810","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000350","11.163","0.002","15.499","0.003","10.427","0.002","90","","94.18","0.03","90","","1799.2","0.6","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H38 Co O P3 S -","- C41 H38 Co O P3 S -","- C82 H76 Co2 O2 P6 S2 -","2","1","AS1001","Wei, G.; Huang, Z.; Lei, X.; Cao, R.; Jiang, F.; Hong, M.; Liu, H.","Structure of [bis(2-diphenylphosphinoethyl)phenylphosphine-<i>P</i>,<i>P</i>,<i>P</i>]carbonyl(phenylthiolato)cobalt(I), [Co{Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~}(SPh)(CO)]","Acta Crystallographica Section C","1992","48","12","2130","2132","10.1107/S0108270192003731","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000351","18.411","0.009","12.769","0.006","8.323","0.005","90","","100.72","0.06","90","","1922.5","1.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 H22 O18 P4 Sr -","- C4 H22 O18 P4 Sr -","- C16 H88 O72 P16 Sr4 -","4","0.5","DU0334","Rochdaoui, R.; Silvestre, J.-P.; Quy Dao, Nguyen; Lee, M.-R.; Neuman, A.","Structure du trihydrogéno hydroxy-1 ethanedi(phosphonate)-1,1 de strontium tétrahydrate","Acta Crystallographica Section C","1992","48","12","2132","2135","10.1107/S0108270192003780","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000352","14.913","0.003","17.348","0.003","8.168","0.002","90","","90","","90","","2113.1","0.8","","","","","","","","","","","","4","F m m 2","","","","","","- C20 H30 Cl2 U -","- C20 H30 Cl2 U -","- C80 H120 Cl8 U4 -","4","0.25","HA0097","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1992","48","12","2135","2137","10.1107/S0108270192003603","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189212","2020-10-21","18:00:00",""
"2000353","14.939","0.004","17.535","0.005","8.201","0.002","90","","90","","90","","2148.3","1","","","","","","","","","","","","4","F m m 2","","","","","","- C20 H30 Cl2 Th -","- C20 H30 Cl2 Th -","- C80 H120 Cl8 Th4 -","4","0.25","HA0097","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1992","48","12","2135","2137","10.1107/S0108270192003603","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189212","2020-10-21","18:00:00",""
"2000354","14.041","0.002","13.126","0.001","19.21","0.004","90","","96.08","0.01","90","","3520.5","0.9","","","","","","","","","","","","6","C 1 2/c 1","","","","","","- C36 H30 Cl3 Mo O3 P2 -","- C36 H30 Cl4 Mo O4 P2 -","- C144 H120 Cl16 Mo4 O16 P8 -","4","0.5","GR0199","Owens, B. E.; Poli, R.","Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I","Acta Crystallographica Section C","1992","48","12","2137","2140","10.1107/S010827019200475X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000355","11.31","0.002","15.58","0.006","13.741","0.003","90","","96.58","0.02","90","","2405.3","1.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 I2 Mo O P4 -","- C12 H32 I2 Mo O P4 -","- C48 H128 I8 Mo4 O4 P16 -","4","1","GR0199","Owens, B. E.; Poli, R.","Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I","Acta Crystallographica Section C","1992","48","12","2137","2140","10.1107/S010827019200475X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000356","27.217","0.012","11.708","0.002","8.416","0.006","90","","104.82","0.02","90","","2593","2","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","","","","","- C36 H28 N4 O2 Pt S24 -","- C36 H28 N4 O2 Pt S24 -","- C72 H56 N8 O4 Pt2 S48 -","2","0.25","PA0279","Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.","Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^","Acta Crystallographica Section C","1992","48","12","2141","2144","10.1107/S0108270192003676","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2000357","26.79","0.016","11.736","0.004","8.467","0.004","90","","104.19","0.05","90","","2581","2","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","","","","","- C36 H28 N4 O2 Pd S24 -","- C36 H28 N4 O2 Pd S24 -","- C72 H56 N8 O4 Pd2 S48 -","2","0.25","PA0279","Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.","Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^","Acta Crystallographica Section C","1992","48","12","2141","2144","10.1107/S0108270192003676","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2000358","8.3737","0.0008","10.6469","0.0008","22.429","0.002","90","","90","","90","","1999.6","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","GE0309","Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L.","Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i>","Acta Crystallographica Section C","1992","48","12","2145","2147","10.1107/S0108270192003196","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000359","19.362","0.001","6.703","0.001","20.011","0.001","90","","109.656","0.004","90","","2445.8","0.4","","","","","","","","","","","","3","P 1 2/n 1","","","","","","- C15 H20 O2 -","- C7.5 H4 O -","- C60 H32 O8 -","8","2","HH0596","Lloyd, B. A.; Arif, A. M.; Allred, E. L.","Pyramidalization in a tetracyclic perpendicular diene derivative","Acta Crystallographica Section C","1992","48","12","2147","2151","10.1107/S0108270192003809","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000360","13.1959","0.0008","13.1959","0.0008","26.6986","0.0011","90","","90","","90","","4649.1","0.4","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","","","","","- C23 H32 O8 -","- C24 H34 O8 -","- C192 H272 O64 -","8","0.5","DU0316","Drouin, M.; Lamothe, S.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions","Acta Crystallographica Section C","1992","48","12","2151","2154","10.1107/S0108270192004426","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000361","12.767","0.005","10.199","0.003","19.175","0.003","90","","109.21","0.02","90","","2357.8","1.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","DU0316","Drouin, M.; Lamothe, S.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions","Acta Crystallographica Section C","1992","48","12","2151","2154","10.1107/S0108270192004426","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000362","24.911","0.004","10.028","0.002","17.042","0.002","90","","121.367","0.008","90","","3635","1.1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C168 H152 N8 O16 S16 -","8","1","HE0048","Beddoes, R. L.; Griera, R.; Alvarez, M.; Joule, J. A.","Structure of 2,3-dihydro-1-methylquinolin-2-spiro-2'-indan-3'-spiro-2''-(1'',3''-dithiane)-4,1'-dione","Acta Crystallographica Section C","1992","48","12","2154","2157","10.1107/S0108270192002531","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000363","7.137","0.001","14.438","0.003","16.11","0.003","90","","90","","90","","1660","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C9 H9 N O3 -","- C9 H12 N O3 -","- C72 H96 N8 O24 -","8","1","AB0273","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of <i>p</i>-acetylbenzoic acid oxime","Acta Crystallographica Section C","1992","48","12","2163","2165","10.1107/S0108270192003159","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2000364","9.169","0.001","9.37","0.001","13.883","0.002","90","","92.028","0.004","90","","1192","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","AB0272","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of 3-benzoylbenzoic acid oxime","Acta Crystallographica Section C","1992","48","12","2165","2167","10.1107/S0108270192003147","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000365","26.157","0.005","5.979","0.001","19.492","0.003","90","","97.79","0.01","90","","3020.3","0.9","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C136 H120 N8 O32 -","8","1","GE0306","Giordano, F.","Structure of methyl 3-benzyl-5-phenyl-3<i>H</i>-1,2,4-dioxazole-3-carboxylate","Acta Crystallographica Section C","1992","48","12","2172","2174","10.1107/S0108270192003871","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000366","13.327","0.005","19.277","0.008","6.361","0.002","90","","90","","90","","1634.2","1","","","","","","","","","","","","4","P 21 21 2","","","","","","- C17 H22 O3 S -","- C17 H21 O3 S -","- C68 H84 O12 S4 -","4","1","AL0533","Rambaud, J.; Pauvert, B.; Boussab, A.; Terol, A.; Chevallet, P.; Declercq, J.-P.","Structure of polymorph II of (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic acid","Acta Crystallographica Section C","1992","48","12","2174","2177","10.1107/S010827019200338X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000367","14.589","0.002","8.33","0.003","8.186","0.004","90","","103.17","0.02","90","","968.6","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","GR0201","Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.","Structures of three tricyclic γ-lactams","Acta Crystallographica Section C","1992","48","12","2177","2181","10.1107/S0108270192003111","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000368","9.1","0.003","9.678","0.004","17.36","0.002","90","","90","","90","","1528.9","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","GR0201","Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.","Structures of three tricyclic γ-lactams","Acta Crystallographica Section C","1992","48","12","2177","2181","10.1107/S0108270192003111","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000369","8.121","0.005","16.257","0.004","8.686","0.002","90","","107.65","0.02","90","","1092.8","0.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","GR0201","Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.","Structures of three tricyclic γ-lactams","Acta Crystallographica Section C","1992","48","12","2177","2181","10.1107/S0108270192003111","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000370","14.3799","0.0007","5.0922","0.0007","16.4737","0.0011","90","","108.717","0.004","90","","1142.5","0.19","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","2","AB0233","Kozma, D.; Larsen, S.; Ács, M.","Structure of (<i>R</i>)-<i>N</i>-(1-phenylethyl)succinamic acid at 110 K","Acta Crystallographica Section C","1992","48","12","2182","2185","10.1107/S0108270192003652","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","205898","2020-10-21","18:00:00",""
"2000371","10.572","0.004","12.91","0.005","9.547","0.004","94.85","0.03","111.62","0.03","75.4","0.04","1172.2","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","HH0584","Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R.","Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane","Acta Crystallographica Section C","1992","48","12","2185","2189","10.1107/S0108270192003792","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000372","13.1193","0.0003","8.8488","0.0002","9.3648","0.0004","100.35","0.03","103.16","0.02","92.61","0.02","1037.14","0.16","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","HH0584","Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R.","Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane","Acta Crystallographica Section C","1992","48","12","2185","2189","10.1107/S0108270192003792","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000373","13.331","0.003","13.797","0.005","28.179","0.006","90","","90","","90","","5183","2","298","","298","","","","","","","","","5","P b c a","","","","","","- C25 H35 I N2 O4 -","- C25 H35 I N2 O4 -","- C200 H280 I8 N16 O32 -","8","1","NA0017","Dapporto, P.; Paoli, P.; Sega, A.","{2-[<i>p</i>-(<i>o</i>-Butoxybenzamido)benzoyloxy]ethyl}diethylmethylammonium iodide","Acta Crystallographica Section C","1992","48","12","2189","2192","10.1107/S010827019200413X","","","0.71069","Mo-Kalpha","","","0.065","","","0.07","","","","","3.05","3.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000374","6.746","0.001","7.712","0.001","12.62","0.01","90","","102.86","0.01","90","","640.1","0.5","","","","","","","","","","","","3","P 1 21 1","","","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C26 H48 O6 -","2","1","AL0522","Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M.","Structure of a new C~13~-norisoprenoid","Acta Crystallographica Section C","1992","48","12","2192","2194","10.1107/S0108270192002610","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000375","10.307","0.003","9.364","0.003","7.394","0.002","90","","104.65","0.02","90","","690.4","0.4","","","","","","","","","","","","4","P 1 21 1","","","","","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","PA0277","Chiaroni, A.; Langlois, N.; Riche, C.; Snatzke, G.","Structure of (2<i>S</i>,5<i>S</i>)-2-hydroxymethyl-5-methoxy-<i>N</i>-<i>o</i>-nitrobenzoylpyrrolidine","Acta Crystallographica Section C","1992","48","12","2194","2196","10.1107/S0108270192003664","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000376","11.945","0.002","22.24","0.006","24.407","0.005","90","","90","","90","","6484","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 N O6 S -","- C33 H43 N O6 S -","- C264 H344 N8 O48 S8 -","8","2","HU1000","Andrews, J. F. P.; Regan, A. C.; Wallis, J. D.; Povey, D. C.","A substrate for the asymmetric Nazarov cyclization","Acta Crystallographica Section C","1992","48","12","2196","2199","10.1107/S010827019200492X","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000377","8.0903","0.0004","24.865","0.001","13.442","0.001","90","","96.79","0.01","90","","2685.1","0.3","","","","","","","","","","","","4","P 1 n 1","P -2yac","","","","","- C27 H33 O9 P -","- C27 H33 O9 P -","- C108 H132 O36 P4 -","4","2","CR0412","Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A.","Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR","Acta Crystallographica Section C","1992","48","12","2200","2203","10.1107/S0108270192004402","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000378","10.677","0.002","26.122","0.003","13.053","0.002","90","","92.96","0.02","90","","3635.7","1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C25 H22 O -","- C25 H22 O -","- C200 H176 O8 -","8","2","HA0099","Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.","Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane","Acta Crystallographica Section C","1992","48","12","2203","2207","10.1107/S0108270192004141","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000379","15.714","0.002","31.126","0.005","11.476","0.002","90","","96.51","0.02","90","","5576.9","1.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C25 H24 O -","- C25 H24 O -","- C300 H288 O12 -","12","3","HA0099","Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.","Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane","Acta Crystallographica Section C","1992","48","12","2203","2207","10.1107/S0108270192004141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000380","23.978","0.004","23.978","0.004","8.918","0.002","90","","90","","120","","4440.4","1.4","","","","","","","","","","","","3","R 3 :H","R 3","","","","","- C26 H26 O -","- C26 H26 O -","- C234 H234 O9 -","9","1","HA0099","Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.","Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane","Acta Crystallographica Section C","1992","48","12","2203","2207","10.1107/S0108270192004141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000381","6.737","0.001","7.803","0.007","10.444","0.001","94.747","0.008","108.3","0.01","97.43","0.01","512.4","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N6 O12 -","- C16 H16 N6 O12 -","- C16 H16 N6 O12 -","1","0.5","AB0269","Nethaji, M.; Pattabhi, V.; Chhabra, N.; Poonia, N. S.","Structure of ethylenediammonium 3,5-dinitrobenzoate","Acta Crystallographica Section C","1992","48","12","2207","2209","10.1107/S0108270192004190","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000382","11.455","0.003","12.401","0.004","12.549","0.003","72.64","0.02","64.2","0.02","62.74","0.02","1415.7","0.8","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H30 B2 F8 O7 S5 U -","- C5 H15 B F4 O3.5 S2.5 U0.5 -","- C20 H60 B4 F16 O14 S10 U2 -","4","2","DU0328","Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.","Structure of pentakis(dimethyl sulfoxide)dioxouranium(VI) bis(tetrafluoroborate)","Acta Crystallographica Section C","1992","48","12","2209","2211","10.1107/S0108270192003536","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000383","10.9026","0.0007","19.614","0.001","16.8211","0.0009","90","","94.512","0.005","90","","3585.9","0.4","","","","","","","","","","","","6","P 1 21 1","","","","","","- C39 H33 N O4 S2 Sn -","- C39 H28 N O4 S2 Sn -","- C156 H112 N4 O16 S8 Sn4 -","4","2","AS0550","Ng, S. W.; Chen, W.; Kumar Das, V. G.","Structure of the dibenzyl sulfoxide adduct of <i>N</i>-triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section C","1992","48","12","2211","2213","10.1107/S0108270192003299","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000384","7.736","0.001","10.406","0.002","12.111","0.003","111","0.01","104.07","0.01","90.65","0.01","877.6","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 N2 O2 P2 Pt -","- C40 H38 N2 O2 P2 Pt -","- C40 H38 N2 O2 P2 Pt -","1","0.5","CR0418","Staples, R. J.; Khan, Md. N. I.; Wang, S.; Fackler, Jnr, J. P.","Structure of <i>trans</i>-dicyanobis(triphenylphosphine)platinum(II) dimethanol solvate","Acta Crystallographica Section C","1992","48","12","2213","2215","10.1107/S0108270192003512","","","0.7103","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000385","17.488","0.003","22.287","0.004","22.811","0.003","90","","90","","90","","8891","2","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C36 H46 Cd Cl2 N4 O9 S4 -","- C36 H46 Cd Cl2 N4 O9 S4 -","- C288 H368 Cd8 Cl16 N32 O72 S32 -","8","1","BX0581","Castiñeiras, A.; Gómez, M. C.; Hiller, W.","Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate","Acta Crystallographica Section C","1992","48","12","2215","2218","10.1107/S0108270192004359","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2000386","14.6","0.01","16.28","0.01","17.13","0.01","70.2","0.05","69.07","0.06","63.68","0.06","3329","4","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Br2 Cu Li O4 P4 -","- C72 H60 Br2 Cu Li O4 P4 -","- C144 H120 Br4 Cu2 Li2 O8 P8 -","2","1","CR0305","Fackler, Jnr, J. P.; López, C. A.; Winpenny, R. E. P.","Structure of tetrakis(triphenylphosphine oxide)lithium dibromocuprate(I)","Acta Crystallographica Section C","1992","48","12","2218","2220","10.1107/S0108270192004396","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000387","26.296","0.003","12.304","0.004","19.061","0.002","90","","103.63","0.02","90","","5993","2","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C71 H67 B Fe O2 P4 -","- C47 H47 Fe O2 P4 -","- C188 H188 Fe4 O8 P16 -","4","1","LI1002","Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M.","Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate","Acta Crystallographica Section C","1992","48","12","2220","2222","10.1107/S0108270192004554","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000388","8.896","0.003","11.006","0.003","17.31","0.006","90","","90","","90","","1694.8","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O Si -","- C19 H22 O Si -","- C76 H88 O4 Si4 -","4","1","GR0200","Barnes, C. L.; Soderquist, J. A.","<i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one","Acta Crystallographica Section C","1992","48","12","2222","2224","10.1107/S0108270192002828","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000389","6.1917","0.0008","7.1417","0.0006","9.9643","0.0008","81.822","0.007","84.638","0.008","78.682","0.009","426.68","0.08","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C16 H16 N8 S2 -","2","1","AS0566","Ng, S. W.","Structure of 4-amino-5-phenyl-4<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section C","1992","48","12","2224","2225","10.1107/S0108270192003305","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000390","7.4946","0.001","13.437","0.002","10.863","0.0008","90","","90","","90","","1094","0.2","","","","","","","","","","","","3","P n a 21","","","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","ST0581","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Acetyl-7-methoxy-2-naphthol","Acta Crystallographica Section C","1992","48","12","2225","2227","10.1107/S0108270192003287","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000391","7.189","0.001","10.141","0.002","11.302","0.002","90","","90","","90","","824","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","LI1001","Leban, I.; Polanc, S.","Structure of 2-phenylpyrimidinium 1-oxide","Acta Crystallographica Section C","1992","48","12","2227","2229","10.1107/S0108270192003391","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000392","12.488","0.005","10.372","0.005","8.335","0.005","84.95","0.05","108.74","0.05","98.51","0.05","1010.2","0.9","","","","","","","","","","","","4","P 1","P 1","1","","","","- C20 H19 O3.5 S3 -","- C20 H19 O3.5 S3 -","- C40 H38 O7 S6 -","2","2","GE0310","Dillen, J. L. M.; Roos, H. M.","Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound","Acta Crystallographica Section C","1992","48","12","2229","2231","10.1107/S0108270192003202","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:42",""
"2000393","8.697","0.002","12.741","0.003","12.94","0.002","90","","103.39","0.02","90","","1394.9","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide","","- C13 H20 Br N O2 -","- C13 H20 Br N O2 -","- C52 H80 Br4 N4 O8 -","4","1","HH0601","Garcia, J. G.; Fronczek, F. R.; Gandour, R. D.","2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide","Acta Crystallographica Section C","1992","48","12","2231","2233","10.1107/S0108270192003913","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206334","2020-10-21","18:00:00",""
"2000394","14.766","0.003","5.604","0.002","15.897","0.003","90","","97.34","0.02","90","","1304.7","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(dibenzylamino)benzene","","- C34 H32 N2 -","- C34 H32 N2 -","- C68 H64 N4 -","2","0.5","BX0575","Rickert, C.; Pirotta, M.; Müller, T.","Structure of 1,4-bis(dibenzylamino)benzene","Acta Crystallographica Section C","1992","48","12","2233","2235","10.1107/S0108270192004347","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000395","11.738","0.008","12.879","0.01","11.027","0.005","111.89","0.05","110.28","0.1","91.19","0.07","1429","2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Cl N O4 -","- C37 H28 Cl N O8 -","- C74 H56 Cl2 N2 O16 -","2","1","AB0257","Anulewicz, R.; Woźniak, K.; Soroka, J. A.","(±)-7,10,12-Triphenyl-7,8-dihydroacenaphtho[4,5-<i>c</i>]quinolizinium perchlorate","Acta Crystallographica Section C","1992","48","12","2238","2240","10.1107/S0108270192002841","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000396","7.23","0.002","7.702","0.001","42.42","0.005","90","","90","","90","","2362.2","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-(tetrahydro-1-hydroxy-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenyl) diacetate monohydrate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000397","5.5333","0.0005","12.552","0.0007","31.723","0.002","90","","90","","90","","2203.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000398","9.6127","0.001","5.6194","0.0004","15.66","0.002","90","","103.687","0.008","90","","821.89","0.15","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(1,3-benzodioxole)","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000399","7.7157","0.001","27.019","0.003","7.6219","0.001","90","","107.473","0.01","90","","1515.6","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","HA0105","Jones, P. G.","[4-(1-Hydroxyethyl)-5-phenanthryl]methyl acetate","Acta Crystallographica Section C","1992","48","12","2244","2245","10.1107/S0108270192003615","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000400","15.6464","0.0012","23.027","0.003","6.932","0.0008","90","","90","","90","","2497.5","0.5","","","","","","","","","","","","3","P 21 21 2","","","","","","- C16 H16 O2 -","- C16 H15.5 O2 -","- C128 H124 O16 -","8","2","HA0104","Jones, P. G.","9,10-Dihydrophenanthrene-4,5-dimethanol","Acta Crystallographica Section C","1992","48","12","2245","2247","10.1107/S0108270192003962","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000401","17.44","0.005","13.267","0.001","12.168","0.002","90","","110.49","0.08","90","","2637.3","1.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C108 H160 O28 -","4","2","CR0399","Grochulski, P.; Wawrzak, Z.; Gałdecki, Z.; Duax, W. L.; Strong, P. D.","Structure of 5β-pregnane-3α,6α,17α-triol triacetate","Acta Crystallographica Section C","1992","48","12","2247","2249","10.1107/S0108270192003494","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000402","7.569","0.001","9.308","0.001","18.502","0.002","90","","90","","90","","1303.5","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","HA0102","Tinant, B.; Declercq, J.-P.; Weiler, J.; Soumillon, J. P.; Motte, F.; Vanhulle, S.","(<i>Z</i>)-α,β-Dimethoxystilbene","Acta Crystallographica Section C","1992","48","12","2250","2251","10.1107/S0108270192003950","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000403","9.795","0.002","16.452","0.002","18.835","0.002","90","","90","","90","","3035.2","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O5 -","- C32 H50 O5 -","- C128 H200 O20 -","4","1","AB1003","Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.","Structure of dimethyl ceanothate","Acta Crystallographica Section C","1992","48","12","2251","2253","10.1107/S0108270192004189","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000404","8.075","0.002","7.306","0.001","7.533","0.002","90","","96.65","0.02","90","","441.43","0.17","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- H2 K N O3 Se -","- H2 K N O3 Se -","- H8 K4 N4 O12 Se4 -","4","1","KA1009","Žák, Z.; R°užička, A.","Structure of potassium amidoselenate K^+^.SeO~3~NH~2~^{-^}","Acta Crystallographica Section C","1992","48","12","2254","2255","10.1107/S0108270192007844","","","0.71069","MoKα","","0.065","0.035","","0.064","0.059","","","","","1.3","1.3","","","","","has coordinates","281832","2023-03-13","07:37:02",""
"2000405","7.002","0.001","9.253","0.002","14.869","0.003","90","","104.83","0.01","90","","931.3","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","NA1008","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Structure of 4,4'-[2,6-naphthylenebis(oxycarbonyl)]dibutyric acid","Acta Crystallographica Section C","1992","48","12","2255","2257","10.1107/S0108270192007716","","","1.54178","CuKα","","","0.054","","","0.065","","","","","2.904","2.904","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000406","22.521","0.006","10.809","0.003","9.509","0.002","90","","90","","90","","2314.8","1","298","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","LI1009","Yeap, G.-Y.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Yip, B.-C.","Structure of 4-[(4-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section C","1992","48","12","2257","2258","10.1107/S0108270192008035","","","0.71069","MoKα","","","0.0454","","","0.0493","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000407","9.671","0.002","9.079","0.003","4.466","0.001","90","","96.2","0.02","90","","389.83","0.18","203","","","","","","","","","","","4","C 1 2/m 1","-C 2y","","","","","- C4 H4 I2 N2 -","- C4 H4 I2 N2 -","- C8 H8 I4 N4 -","2","0.25","ST1008","Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.","Molecular complexes of 1,4-diazines with iodine","Acta Crystallographica Section C","1992","48","12","2259","2262","10.1107/S0108270192007662","","","0.71073","MoKα","","","0.0472","","","0.0519","","","","","1.19","1.19","","","","","has coordinates","199443","2020-10-21","18:00:00",""
"2000408","11.607","0.005","13.751","0.005","7.578","0.003","90","","108.54","0.03","90","","1146.7","0.8","203","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C32 H48 I8 N8 -","4","0.5","ST1008","Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.","Molecular complexes of 1,4-diazines with iodine","Acta Crystallographica Section C","1992","48","12","2259","2262","10.1107/S0108270192007662","","","0.71073","MoKα","","","0.0341","","","0.0471","","","","","1.93","1.93","","","","","has coordinates","199443","2020-10-21","18:00:00",""
"2000409","11.657","0.002","13.763","0.003","7.654","0.001","90","","108.06","0.01","90","","1167.5","0.4","294","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C32 H48 I8 N8 -","4","0.5","ST1008","Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.","Molecular complexes of 1,4-diazines with iodine","Acta Crystallographica Section C","1992","48","12","2259","2262","10.1107/S0108270192007662","","","0.071073","MoKα","","","0.0482","","","0.0754","","","","","1.51","1.51","","","","","has coordinates","199443","2020-10-21","18:00:00",""
"2000410","6.5779","0.0015","15.565","0.0013","19.217","0.002","90","","90","","90","","1967.5","0.5","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4","","- C20 H22 Cl2 O6 -","- C20 H22 Cl2 O6 -","- C80 H88 Cl8 O24 -","4","0.5","LI1019","Ferguson, G.; Ruhl, B. L.; McKervey, M. A.; Browne, C. M.","Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4","Acta Crystallographica Section C","1992","48","12","2262","2264","10.1107/S0108270192007832","","","0.7093","MolybdenumKα","","","0.0427","","","0.0373","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000411","7.799","0.003","30.488","0.009","8.046","0.002","90","","119.21","","90","","1669.9","0.9","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C18 H14 F6 O4 -","- C18 H14 F9 O4 -","- C72 H56 F36 O16 -","4","1","HA1015","Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.","Structure of a (1:2) adduct of 1,1-[bis(3,3,3-trifluoropropynly)]ethyl acetate and furan","Acta Crystallographica Section C","1992","48","12","2264","2266","10.1107/S010827019200845X","","","0.71069","MoKα","","","0.052","","","0.026","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000412","9.939","0.002","11.403","0.002","12.472","0.001","90","","113.04","0.01","90","","1300.8","0.4","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N2 S4 -","- C8 H12 N2 S4 -","- C32 H48 N8 S16 -","4","1","SH1007","Heinemann, F.; Dölling, W.; Hartung, H.","Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)","Acta Crystallographica Section C","1992","48","12","2266","2268","10.1107/S0108270192007479","","","0.71073","MoKα","","","0.039","","","0.035","","","","","0.762","0.762","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000413","11.203","0.002","9.042","0.002","13.693","0.002","90","","100.85","0.02","90","","1362.3","0.4","291","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 H15 N S5 -","- C8 H15 N S5 -","- C32 H60 N4 S20 -","4","1","SH1007","Heinemann, F.; Dölling, W.; Hartung, H.","Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)","Acta Crystallographica Section C","1992","48","12","2266","2268","10.1107/S0108270192007479","","","1.54178","CuKα","","","0.052","","","0.058","","","","","5.26","5.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000414","17.121","0.001","17.121","0.001","13.241","0.001","90","","90","","90","","3881.3","0.4","293","","293","","","","","","","","","3","I 41/a :2","-I 4ad","88","tetra(2-pyridyl)pyrazine","2,3,4,6-tetra(2-pyridyl)pyrazine","","- C24 H16 N6 -","- C24 H16 N6 -","- C192 H128 N48 -","8","0.5","AL1025","Greaves, B.; Stoeckli-Evans, H.","A tetragonal form of tetra(2-pyridyl)pyrazine (TPPZ)","Acta Crystallographica Section C","1992","48","12","2269","2271","10.1107/S0108270192009387","","","0.71073","MolybdenumKα","","0.053","0.053","","0.072","0.072","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000415","7.315","0.001","7.941","0.002","21.393","0.004","90","","90","","90","","1242.7","0.4","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride","","- C12 H17 Cl N2 O2 -","- C12 H17 Cl N2 O2 -","- C48 H68 Cl4 N8 O8 -","4","1","AB1011","Verdonk, M. L.; Kanters, J. A.; Kroon, J.","Structure of eltoprazine","Acta Crystallographica Section C","1992","48","12","2271","2273","10.1107/S0108270192008904","","","0.71073","MoKα","","","0.069","","","0.063","","","","","1.41","1.41","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2000416","6.1749","0.0004","8.0494","0.0004","14.0057","0.0005","90","","96.078","0.004","90","","692.23","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-1,2-diphenyl-1,2-ethanediamine monohydrobromide","","- C14 H17 Br N2 -","- C14 H17 Br N2 -","- C28 H34 Br2 N4 -","2","1","AB1027","Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.","(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-ethanediamine monohydrobromide","Acta Crystallographica Section C","1992","48","12","2273","2275","10.1107/S0108270192008953","","","0.7093","MolybdenumKα","","0.027","0.021","","0.028","0.026","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000417","5.796","0.001","8.714","0.001","9.152","0.001","92.29","0.009","97.17","0.01","103.47","0.01","444.86","0.11","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 N2 S2 -","- C16 H26 N2 S2 -","- C16 H26 N2 S2 -","1","0.5","SH1010","Heinemann, F.; Hartung, H.; Hansen, J.; Maschmeier, C.-P.; Matschiner, H.","Structure of 3,6-bis(dimethylamino)-2,5-diisopropylthieno[3,2-<i>b</i>]thiophene","Acta Crystallographica Section C","1992","48","12","2275","2277","10.1107/S0108270192008229","","","0.71073","MoKα","","","0.047","","","0.037","","","","","6.84","6.84","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000418","14.87","0.001","5.411","0.001","8.15","0.001","90","","95.71","0.02","90","","652.51","0.15","297","","","","","","","","","","","4","P 1 21 1","","","","5'-O-acetyl-4'-cyano-2',3'-didehydro-2',3'-dideoxyuridine","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","AS1021","Yamaguchi, K.; Haraguchi, K.; Tanaka, H.; Itoh, Y.; Miyasaka, T.","Structure of a 4'-<i>C</i>-branched 2',3'-didehydro-2',3'-dideoxyuridine","Acta Crystallographica Section C","1992","48","12","2277","2278","10.1107/S0108270192009077","","","1.5405","CuKα~1~","","","0.047","","","0.046","","","","","3.04","3.04","","","","","has coordinates","189488","2020-10-21","18:00:00",""
"2000420","13.015","0.001","13.015","0.001","5.6637","0.0007","90","","90","","90","","959.38","0.16","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","","","- La4 Mo2 O11 -","- La4 Mo2 O12 -","- La16 Mo8 O48 -","4","0.5","DU0314","Gall, P.; Gougeon, P.","Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster units","Acta Crystallographica Section C","1992","48","11","1915","1917","10.1107/S0108270192003214","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000421","16.914","0.011","9.526","0.004","17.671","0.011","90","","127.41","0.02","90","","2262","2","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- Br9 K Re6 S5 -","- Br6 K Re6 S8 -","- Br24 K4 Re24 S32 -","4","0.5","DU0337","Slougui, A.; Perrin, A.; Sergent, M.","Structure of potassium hexarhenium nonabromide pentasulfide: KRe~6~S~5~Br~9~","Acta Crystallographica Section C","1992","48","11","1917","1920","10.1107/S0108270192002919","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000422","8.569","0.009","9.991","0.005","14.811","0.005","108.84","0.03","95.1","0.04","90.37","0.07","1194.5","1.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 N4 O2 Pt S24 -","- C32 H20 N4 O2 Pt S24 -","- C32 H20 N4 O2 Pt S24 -","1","0.5","PA0278","Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.","Structures of some quasi-two-dimensional molecular conductors. I. Structure of κ-tetrakis(3,4-methylenedithio-2,2',5,5'-tetrathiafulvalen)ium tetracyanoplatinate dihydrate: κ-(MDTTTF)~4~Pt(CN)~4~(H~2~O)~2~","Acta Crystallographica Section C","1992","48","11","1920","1923","10.1107/S0108270192002750","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000423","19.009","0.008","11.273","0.004","13.144","0.007","90","","103.5","0.04","90","","2739","2","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H36 Cu2 N12 O16 S2 -","- C8 H36 Cu2 N12 O16 S2 -","- C32 H144 Cu8 N48 O64 S8 -","4","0.5","LI0125","van Koningsbruggen, P. J.; Haasnoot, J. G.; de Graaff, R. A. G.; Reedijk, J.; Slingerland, S.","Structure of bis[μ-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-<i>N</i>',<i>N</i>^1^,<i>N</i>^2^,<i>N</i>'']-bis[diaquacopper(II)] bis(sulfate) tetrahydrate","Acta Crystallographica Section C","1992","48","11","1923","1926","10.1107/S0108270192002634","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000424","7.363","0.003","8.886","0.002","18.321","0.004","90","","96.18","0.02","90","","1191.7","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C14 H38 N8 Ni2 O10 -","- C14 H38 N8 Ni2 O10 -","- C28 H76 N16 Ni4 O20 -","2","0.5","BR0003","Zhu, S.; Luo, Q.; Shen, M.; Huang, L.","Structure of the hydrogen-bond-rich dinickel(II) complex of <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2-aminoethyl)-1,1,2,2-ethanetetraamide","Acta Crystallographica Section C","1992","48","11","1926","1929","10.1107/S0108270192003056","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000425","14.76","0.02","7.316","0.001","8.177","0.003","90","","119.7","0.3","90","","767","3","","","","","","","","","","","","6","C 1 2/m 1","","","","","","- C6 H24 F6 N2 O2 Sn -","- C6 H24 F6 N2 O2 Sn -","- C12 H48 F12 N4 O4 Sn2 -","2","0.25","DU0247","Taha, A.; Liautard, B.; Granier, W.","Etude structurale du dihydrate de l'hexafluorostannate de triméthylammonium","Acta Crystallographica Section C","1992","48","11","1929","1931","10.1107/S0108270191000550","","","0.70906","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000426","23.807","0.006","9.548","0.001","24.192","0.006","90","","136.48","0.02","90","","3787","2","","","","","","","","","","","","5","I 1 2/a 1","","","","","","- C14 H16 I2 Pt Te2 -","- C14 H16 I2 Pt Te2 -","- C112 H128 I16 Pt8 Te16 -","8","1","MU0295","Levason, W.; Webster, M.; Mitchell, C. J.","Structure of <i>trans</i>-diiodobis(methyl phenyl telluride)platinum(II)","Acta Crystallographica Section C","1992","48","11","1931","1933","10.1107/S0108270192003354","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000427","12.947","0.001","9.401","0.003","20.005","0.003","90","","90","","90","","2434.9","0.9","","","","","","","","","","","","5","P b c a","","","","","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","AL0524","Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M.","Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II)","Acta Crystallographica Section C","1992","48","11","1933","1936","10.1107/S0108270192003263","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000428","9.263","0.002","14.317","0.003","11.036","0.005","90","","90","","90","","1463.6","0.8","","","","","","","","","","","","7","I b a m","","","","","","- C8 H36 Br2 N8 O16 Pt2 S4 -","- C8 H40 Br4 N8 O16 Pt2 S4 -","- C16 H80 Br8 N16 O32 Pt4 S8 -","2","0.125","AS0571","Matsushita, N.; Taga, T.; Tsujikawa, I.","Structure of a one-dimensional Br-bridged Pt^II^-Pt^IV^ mixed-valence complex, <i>catena</i>-poly[bis(ethylenediamine)platinum(II,IV)-μ-bromo bis(hydrogensulfate)]","Acta Crystallographica Section C","1992","48","11","1936","1939","10.1107/S0108270192003457","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000429","24.6077","0.0018","9.0071","0.0003","10.069","0.0004","90","","100.824","0.005","90","","2192","0.2","","","","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H21 B F4 N P -","- C24 H21 B F4 N P -","- C96 H84 B4 F16 N4 P4 -","4","2","AL0527","Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.","Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes","Acta Crystallographica Section C","1992","48","11","1940","1945","10.1107/S0108270192001811","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","288374","2023-12-18","07:44:25",""
"2000430","30.4088","0.0015","11.5561","0.0003","22.9996","0.001","90","","101.437","0.003","90","","7921.7","0.6","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H21 N2 P -","- C24 H21 N2 P -","- C384 H336 N32 P16 -","16","2","AL0527","Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.","Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes","Acta Crystallographica Section C","1992","48","11","1940","1945","10.1107/S0108270192001811","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","288374","2023-12-18","07:44:25",""
"2000431","6.55","0.003","17.318","0.006","20.129","0.006","90","","98.83","0.03","90","","2256.2","1.5","","","","","","","","","","","","5","P 1 21 1","","","","","","- C22 H29 N O3 Si -","- C22 H29 N O3 Si -","- C88 H116 N4 O12 Si4 -","4","2","HH0589","Marsh, R. E.; Schaefer, W. P.; Widdowson, K. L.; Myers, A. G.","Structure of an <i>anti</i>-aldol addition product of benzaldehyde and a pseudoephedrine-derived <i>O</i>-silyl ketene <i>N</i>,<i>O</i>-acetal","Acta Crystallographica Section C","1992","48","11","1948","1951","10.1107/S0108270192002233","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000432","11.676","0.002","24.819","0.007","12.344","0.003","90","","113.74","0.02","90","","3274.4","1.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Br N4 O3 S -","- C12 H20 Br N4 O2.5 S -","- C96 H160 Br8 N32 O20 S8 -","8","2","AS0586","Hu, N.-H.; Zhang, S.-L.","Structure of thiamine bromide sesquihydrate","Acta Crystallographica Section C","1992","48","11","1951","1954","10.1107/S0108270192002257","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2000433","10.231","0.007","11.171","0.007","14.759","0.005","90","","90","","90","","1686.8","1.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H28 N2 O2 -","- C19 H27 N2 O2 -","- C76 H108 N8 O8 -","4","1","HE0046","Maes, D.; Fiddelaers, P.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.","Structure of (17α)-androstano[3,4-<i>c</i>][1,2,5]oxadiazole-17-ol (HS963)","Acta Crystallographica Section C","1992","48","11","1954","1957","10.1107/S010827019200252X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000434","8.939","0.003","10.697","0.004","14.92","0.004","90","","102.55","0.02","90","","1392.6","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 N5 O2 -","- C5 H7 N5 O2 -","- C40 H56 N40 O16 -","8","1","CR0391","Serra, M. A.; Dorner, B. K.; Silver, M. E.","Structure of an adenine-hydrogen peroxide adduct","Acta Crystallographica Section C","1992","48","11","1957","1960","10.1107/S0108270192002294","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000435","18.508","0.007","5.228","0.002","6.342","0.003","90","","93.22","0.03","90","","612.7","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C7 H6 O3 -","- C7 H7 O3 -","- C28 H28 O12 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000436","24.093","0.008","7.232","0.002","9.699","0.002","90","","92.47","0.02","90","","1688.4","0.8","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000437","14.23","0.001","24.37","0.005","18.78","0.002","90","","90","","90","","6512.6","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C54 H95 N9 O17 -","- C54 N9 O18 -","- C216 N36 O72 -","4","1","CR0373","Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.","Structure of the white-line-inducing principle isolated from <i>Pseudomonas reactans</i>","Acta Crystallographica Section C","1992","48","11","1965","1968","10.1107/S0108270192001690","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000438","10.076","0.002","12.346","0.003","9.154","0.002","98.9","0.02","122.06","0.02","96.67","0.02","926.3","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C44 H42 N2 O4 -","2","1","AS0561","Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F.","Structures of two crystal forms of the host-guest complex between <i>trans</i>-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone","Acta Crystallographica Section C","1992","48","11","1969","1971","10.1107/S0108270192002245","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000439","16.782","0.002","8.744","0.003","23.386","0.003","90","","107.83","0.02","90","","3266.9","1.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N2 O3 -","- C41 H36 N2 O3 -","- C164 H144 N8 O12 -","4","0.5","AS0561","Hamada, K.; Oh-hira, M.; Fujiwara, T.; Toda, F.","Structures of two crystal forms of the host-guest complex between <i>trans</i>-3,3'-bis(diphenylhydroxymethyl)azobenzene and acetone","Acta Crystallographica Section C","1992","48","11","1969","1971","10.1107/S0108270192002245","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000440","5.087","0.002","19.222","0.003","9.552","0.002","90","","93.81","0.03","90","","932","0.4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","0.5","ST0572","Fitzgerald, L. J.; Gerkin, R. E.","Structure of 2,3-naphthalenedicarboxylic acid","Acta Crystallographica Section C","1992","48","11","1971","1975","10.1107/S0108270192003226","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000441","8.059","0.002","11.537","0.003","22.311","0.006","90","","90","","90","","2074.4","0.9","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C20 H29 Cl N2 O4 -","- C20 H22 Cl N2 O4 -","- C80 H88 Cl4 N8 O16 -","4","1","CR0388","Karle, J. M.; Karle, I. L.","Structure of 9-epiquinine hydrochloride dihydrate <i>versus</i> antimalarial activity","Acta Crystallographica Section C","1992","48","11","1975","1980","10.1107/S0108270192002373","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000442","7.7505","0.0009","16.484","0.002","8.7383","0.0009","90","","101.16","0.01","90","","1095.3","0.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","AB0267","Nethaji, M.; Pattabhi, V.; Harikrishna Reddy, S.","Structure of pentacyclo[8.5.0.0^2,7^.0^4,13^.0^5,1^]pentadeca-8,14-diene-3,6-dione","Acta Crystallographica Section C","1992","48","11","1980","1981","10.1107/S0108270192002154","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000443","12.94","0.003","13.551","0.003","7.44","0.002","90","","90","","90","","1304.6","0.5","","","","","","","","","","","","4","P n m n","","","","","","- C26 H8 N8 S6 -","- C26 H8 N8 S6 -","- C52 H16 N16 S12 -","2","0.25","AS0570","Iwasaki, K.; Ida, T.; Kawamoto, A.; Ugawa, A.; Yamashita, Y.; Yakushi, K.; Suzuki, T.","Structure of the charge-transfer complex of (DBTTF)(BTDA-TCNQ)","Acta Crystallographica Section C","1992","48","11","1982","1984","10.1107/S0108270192003445","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000444","5.5055","0.0013","25.201","0.003","8.1241","0.0019","90","","100.434","0.011","90","","1108.5","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","BR0018","Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J.","Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2)","Acta Crystallographica Section C","1992","48","11","1985","1988","10.1107/S0108270192003329","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000445","12.963","0.009","8.1716","0.0008","11.212","0.007","90","","110.85","0.03","90","","1109.9","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","BR0018","Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J.","Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2)","Acta Crystallographica Section C","1992","48","11","1985","1988","10.1107/S0108270192003329","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000446","8.259","0.007","13.111","0.004","9.978","0.004","90","","104.9","0.05","90","","1044.1","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C40 H24 N16 O16 -","4","1","AL0537","Rice, C. R.; Wallis, J. D.; Povey, D. C.","Intramolecular interactions in 3,3'-dinitro-2,2'-bipyridine","Acta Crystallographica Section C","1992","48","11","1988","1991","10.1107/S0108270192003251","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000447","10.33","0.002","10.958","0.002","13.251","0.003","78.48","0.02","80.86","0.02","87.04","0.03","1450.8","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C64 H52 Cl4 N8 O8 -","4","2","CR0364","Karolak-Wojciechowska, J.; Kwiatkowski, W.; Karczmarzyk, Z.; Zejc, A.; Obniska, J.","Structure and conformation of <i>N</i>-(4-methyl-2-pyridyl)-<i>p</i>-chlorophenylsuccinimide","Acta Crystallographica Section C","1992","48","11","1991","1994","10.1107/S0108270192002853","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000448","10.867","0.002","5.79","0.001","14.74","0.002","90","","94.75","0.01","90","","924.3","0.3","","","","","","","","","","","","4","P 1 21 1","","","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","AL0535","Qing, C. Y.; de Wit, D.; van Rantwijk, F.; van Koningsveld, H.; Maat, L.","Structure of a phenylhydrazone of diacetone protected 3-keto-glucose","Acta Crystallographica Section C","1992","48","11","1994","1996","10.1107/S0108270192002798","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2000449","10.548","0.006","19.59","0.011","7.729","0.003","90","","90","","90","","1597.1","1.4","","","","","","","","","","","","4","C m c 21","","","","","","- C18 H20 N2 O3 -","- C20 H24 N4 O6 -","- C80 H96 N16 O24 -","4","0.5","CR0293","Singh, P.; Levine, S. G.; Kasdorf, K.","Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol","Acta Crystallographica Section C","1992","48","11","1996","2000","10.1107/S0108270192003482","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000450","5.573","0.002","11.852","0.006","13.44","0.007","68.42","0.04","89.46","0.04","79.82","0.03","811","0.7","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","CR0293","Singh, P.; Levine, S. G.; Kasdorf, K.","Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol","Acta Crystallographica Section C","1992","48","11","1996","2000","10.1107/S0108270192003482","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000451","20.828","0.005","8.364","0.002","21.508","0.004","90","","122.39","0.02","90","","3163.9","1.4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C144 H176 O24 -","8","1","HH0594","Toscano, R. A.; Quijano, L.; Gómez, F.; García-Pérez, G.; Rios, T.","Structure of wigandol","Acta Crystallographica Section C","1992","48","11","2000","2002","10.1107/S010827019200307X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000452","9.54","0.003","17.763","0.005","10.39","0.006","90","","106.91","0.04","90","","1684.6","1.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triphenylphosphine oxide hydrogen bromide","","- C18 H16 Br O P -","- C18 H16 Br O P -","- C72 H64 Br4 O4 P4 -","4","1","AL0534","Lane, H. P.; McAuliffe, C. A.; Pritchard, R. G.","Triphenylphosphine oxide hydrogen bromide","Acta Crystallographica Section C","1992","48","11","2002","2004","10.1107/S0108270192002518","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000453","7.983","0.003","18.028","0.002","11.668","0.001","90","","90","","90","","1679.2","0.7","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C68 H80 Cl4 N12 O4 S4 -","4","1","HU1001","Christiansen, J.; Clark, G. R.; Denny, W. A.; Palmer, B. D.","Structure of <i>N</i>-(2-dimethylaminoethyl)phenothiazine-1-carboxamide hydrochloride","Acta Crystallographica Section C","1992","48","11","2004","2007","10.1107/S0108270192003330","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000454","6.408","0.001","10.433","0.001","12.388","0.001","90","","98.6","0.01","90","","818.88","0.17","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C5 H10 N O3 S -","- C10 H20 N2 O6 S2 -","- C20 H40 N4 O12 S4 -","2","0.5","CR0404","Pyrka, G. J.; Scott, N.; Fernando, Q.","Structure of the 1:2 adduct of <i>meso</i>-2,3-dimercaptosuccinic acid and <i>N</i>,<i>N</i>-dimethylformamide","Acta Crystallographica Section C","1992","48","11","2007","2009","10.1107/S0108270192002865","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000455","5.96","0.001","9.569","0.002","10.679","0.002","96.82","0.02","98.32","0.02","90.32","0.02","598.2","0.2","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","AB0274","Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.","Structures of two crystalline modifications of lapachol","Acta Crystallographica Section C","1992","48","11","2009","2013","10.1107/S0108270192003378","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000456","6.035","0.001","9.427","0.002","20.918","0.005","90","","98.27","0.02","90","","1177.7","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","AB0274","Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.","Structures of two crystalline modifications of lapachol","Acta Crystallographica Section C","1992","48","11","2009","2013","10.1107/S0108270192003378","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000457","12.619","0.001","8.285","0.001","16.469","0.001","90","","94.39","0.06","90","","1716.8","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","GE0305","Carugo, O.; Poli, G.; Manzoni, L.","Structure of <i>N</i>,<i>N</i>',<i>N</i>''-triphenylbiuret","Acta Crystallographica Section C","1992","48","11","2013","2016","10.1107/S0108270192003858","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000458","11.004","0.001","12.6209","0.0009","9.692","0.0008","90","","108.224","0.007","90","","1278.51","0.19","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","AS0554","Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.","Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton","Acta Crystallographica Section C","1992","48","11","2016","2019","10.1107/S0108270192002701","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000459","13.644","0.001","8.878","0.001","13","0.002","90","","117.1","0.01","90","","1401.8","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","AS0554","Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.","Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton","Acta Crystallographica Section C","1992","48","11","2016","2019","10.1107/S0108270192002701","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2000460","10.177","0.001","10.63","0.001","7.776","0.001","103.72","0.01","100.7","0.01","107.85","0.01","746.9","0.16","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","1","AS0554","Matsuzawa, E. S.; Hirayama, N.; Ohshima, E.; Obase, H.","Structural aspects of the 6,11-dihydro-11-oxodibenz[<i>b</i>,<i>e</i>]oxepin skeleton","Acta Crystallographica Section C","1992","48","11","2016","2019","10.1107/S0108270192002701","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000461","9.962","0.004","6.711","0.002","12.339","0.005","90","","96.76","0.03","90","","819.2","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 Co4 O10 S2 -","- C10 Co4 O10 S2 -","- C20 Co8 O20 S4 -","2","0.5","AL1006","Mackay, K. M.; Nicholson, B. K.; van Tiel, M. L.","Redetermination of decacarbonyl di-μ~4~-sulfido-tetracobalt","Acta Crystallographica Section C","1992","48","11","2020","2021","10.1107/S0108270192003433","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000462","11.57","0.003","12.725","0.003","5.79","0.004","101.28","0.03","102.35","0.04","70.01","0.03","775.6","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 N4 Na O4 S -","- C12 H17 N4 Na O4 S -","- C24 H34 N8 Na2 O8 S2 -","2","1","AS0507","Hannan, S. S.; Talukdar, A. N.","Structure of monosodium <i>N</i>^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate","Acta Crystallographica Section C","1992","48","11","2021","2023","10.1107/S0108270192002695","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000463","10.719","0.003","7.648","0.002","12.224","0.003","90","","110.32","0.02","90","","939.7","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Al2 N2 -","- C12 H34 Al2 N2 -","- C24 H68 Al4 N4 -","2","0.5","ST0555","Byers, J. J.; Pennington, W. T.; Robinson, G. H.","Bis-adducts of trimethylaluminium and trimethylgallium with <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine","Acta Crystallographica Section C","1992","48","11","2023","2025","10.1107/S0108270192001495","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000464","10.735","0.003","7.656","0.002","12.31","0.004","90","","110.7","0.02","90","","946.4","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Ga2 N2 -","- C12 H34 Ga2 N2 -","- C24 H68 Ga4 N4 -","2","0.5","ST0555","Byers, J. J.; Pennington, W. T.; Robinson, G. H.","Bis-adducts of trimethylaluminium and trimethylgallium with <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine","Acta Crystallographica Section C","1992","48","11","2023","2025","10.1107/S0108270192001495","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000465","16.525","0.002","15.386","0.002","19.751","0.002","90","","113.82","0.01","90","","4594","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N O2 S Sn -","- C25 H21 N O2 S Sn -","- C200 H168 N8 O16 S8 Sn8 -","8","2","AS0579","Ng, S. W.; Kumar Das, V. G.","Structure of triphenyltin 2-(4-pyridylthio)acetate","Acta Crystallographica Section C","1992","48","11","2025","2026","10.1107/S0108270192002609","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000466","7.083","0.001","9.359","0.001","9.809","0.002","89.92","0.01","81.46","0.02","80.66","0.01","634.33","0.18","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H13 N4 Na O7 S2 -","- C6 H13 N4 Na O7 S2 -","- C12 H26 N8 Na2 O14 S4 -","2","1","GE0303","Pecorari, P.; Rinaldi, M.; Antolini, L.","Structure of sodium (7-amino-2,3-dihydro-5-oxo-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-6-yl)sulfamate trihydrate","Acta Crystallographica Section C","1992","48","11","2027","2029","10.1107/S0108270192002622","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208360","2020-10-21","18:00:00",""
"2000467","11.278","0.005","15.195","0.005","19.92","0.01","90","","91.6","0.04","90","","3412","3","","","","","","","","","","","","5","P 1 21 1","","","","","","- C50 H77 N15 O31 Pt5 -","- C50 H50 N15 O31 Pt5 -","- C100 H100 N30 O62 Pt10 -","2","1","DU0338","Khodadad, P.; Rodier, N.","Penta[bis(5-oxoprolinato)platinate(II) d'ammonium] monohydrate","Acta Crystallographica Section C","1992","48","11","2029","2031","10.1107/S0108270192003275","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000468","17.426","0.011","6.945","0.01","6.816","0.002","90","","90","","90","","824.9","1.3","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H5 F3 N2 O S -","- C6 H5 F3 N2 O S -","- C24 H20 F12 N8 O4 S4 -","4","0.5","HA0110","Tinant, B.; Feneau-Dupont, J.; Declercq, J.-P.; Evariste, F.; Viehe, H. G.","3-Methyl-2-thioxo-6-trifluoromethyl-2,3-dihydro-4(1<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1992","48","11","2032","2033","10.1107/S0108270192002440","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000469","7.296","0.001","13.099","0.002","15.754","0.002","90","","90","","90","","1505.6","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","CR0410","Shoja, M.","4',6,7-Trimethoxyisoflavone","Acta Crystallographica Section C","1992","48","11","2033","2035","10.1107/S010827019200249X","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000470","9.777","0.001","10.211","0.001","22.585","0.002","90","","90","","90","","2254.7","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","SE1000","Dyrbusch, M.; Egert, E.","Structure of a cinnamic acid derivative","Acta Crystallographica Section C","1992","48","11","2035","2036","10.1107/S0108270192002221","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000471","17.397","0.004","5.865","0.002","13.482","0.005","90","","104.26","0.02","90","","1333.2","0.7","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","CR0409","Bryant, Jnr, G. L.; King, Jnr, J. A.","Structures of two acylpyridinium salts and one simple pyridinium salt","Acta Crystallographica Section C","1992","48","11","2036","2039","10.1107/S0108270192002403","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000472","9.086","0.002","9.328","0.002","19.494","0.005","79.03","0.02","78.83","0.02","64.53","0.02","1452.7","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 B N2 O -","- C38 H35 B N2 O -","- C76 H70 B2 N4 O2 -","2","1","CR0409","Bryant, Jnr, G. L.; King, Jnr, J. A.","Structures of two acylpyridinium salts and one simple pyridinium salt","Acta Crystallographica Section C","1992","48","11","2036","2039","10.1107/S0108270192002403","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000473","17.113","0.003","7.46","0.002","14.57","0.003","90","","120.84","0.01","90","","1597","0.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Cl N2 -","- C7 H11 Cl N2 -","- C56 H88 Cl8 N16 -","8","1","CR0409","Bryant, Jnr, G. L.; King, Jnr, J. A.","Structures of two acylpyridinium salts and one simple pyridinium salt","Acta Crystallographica Section C","1992","48","11","2036","2039","10.1107/S0108270192002403","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000474","9.019","0.001","14.522","0.001","6.059","0.001","90","","90","","90","","793.57","0.17","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O3 S2 -","- C5 H10 O3 S2 -","- C20 H40 O12 S8 -","4","1","LI0123","Barkley, J.; Dodd, I. M.; Harding, M. M.; Namwindwa, E. S.; Page, P. C. B.","<i>anti</i>-2-Methyl-1,3-dithiane 1,1,3-trioxide","Acta Crystallographica Section C","1992","48","11","2039","2040","10.1107/S0108270192002749","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000475","13.343","0.007","21.991","0.005","10.462","0.003","90","","90","","90","","3070","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H0 F4 N2 -","- C8 F4 N2 -","- C128 F64 N32 -","16","2","CR0414","Britton, D.","Structure of tetrafluoroisophthalonitrile","Acta Crystallographica Section C","1992","48","11","2040","2042","10.1107/S0108270192002567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000476","4.722","0.002","12.284","0.005","17.638","0.011","90","","90","","90","","1023.1","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","ST0559","Orr, Jnr, L. B.; Parsons, E. J.; Pennington, W. T.","2-{[(<i>o</i>-Hydroxyphenyl)imino]methyl}pyridine","Acta Crystallographica Section C","1992","48","11","2042","2043","10.1107/S0108270192001483","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000477","15.96","0.01","5.339","0.005","16.97","0.02","90","","117.43","0.06","90","","1283","2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 O -","- C16 H24 O -","- C64 H96 O4 -","4","1","SE1003","Nieger, M.; Egert, E.","Structure of an epoxytetradecahydropyrene","Acta Crystallographica Section C","1992","48","11","2044","2045","10.1107/S0108270192003160","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000478","5.187","0.003","14.362","0.005","19.845","0.004","90","","93.42","0.04","90","","1475.7","1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C56 H56 N24 O8 -","8","2","AS0594","Okabe, N.; Kisaichi, H.","Structure of phenylazocarboxamide","Acta Crystallographica Section C","1992","48","11","2047","2049","10.1107/S0108270192003081","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000479","6.628","0.004","21.495","0.006","23.526","0.006","90","","90","","90","","3352","2","","","","","","","","","","","","6","C m c a","","","","","","- C16 H12 F6 O2 P S2 -","- C16 H12 F12 O2 P S2 -","- C128 H96 F96 O16 P8 S16 -","8","","AB0275","Thorup, N.; Frederiksen, P.; Bechgaard, K.","Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium hexafluorophosphate","Acta Crystallographica Section C","1992","48","11","2049","2051","10.1107/S0108270192002683","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000480","10.667","0.002","16.552","0.005","8.116","0.001","90","","90","","90","","1433","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","1","CR0413","Khan, M. A.; Burrows, G. E.; Holt, E. M.","(5α,6α,7α,11β)-Δ^13,14^-Sophocarpine monohydrate","Acta Crystallographica Section C","1992","48","11","2051","2053","10.1107/S0108270192003500","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","190826","2020-10-21","18:00:00",""
"2000481","7.7464","0.0004","12.214","0.001","7.8813","0.0009","88.78","0.01","119.255","0.006","103.803","0.007","627.78","0.11","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","PA0274","Rodier, N.; Robert, J.-M.; Leblois, D.; Le Baut, G.","Structure cristalline d'un <i>N</i>-azaarylphtalimide à activité anti-inflammatoire, le 2-(4,6-diméthylpyridin-2-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","Acta Crystallographica Section C","1992","48","11","2053","2054","10.1107/S0108270192002415","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000482","10.485","0.005","16.892","0.008","19.75","0.006","90","","90","","90","","3498","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C160 H208 N16 O8 -","8","2","AL0529","Soriano-García, M.","Structure of ibogaine","Acta Crystallographica Section C","1992","48","11","2055","2057","10.1107/S0108270192002786","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000483","7.652","0.002","10.398","0.001","11.135","0.002","90","","96.8","0.01","90","","879.7","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O2 S -","- C6 H11 N3 O2 S -","- C24 H44 N12 O8 S4 -","4","1","AS0572","Ng, S. W.","Structure of 2-[1-(2-carboxyethyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section C","1992","48","11","2057","2058","10.1107/S0108270192002592","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000484","11.336","0.002","10.134","0.003","20.275","0.003","90","","90","","90","","2329.2","0.9","","","","","","","","","","","","4","P b c a","","","","","","- C12 H5 N3 O6 -","- C12 H5 N3 O6 -","- C96 H40 N24 O48 -","8","1","AL0528","Du, M.-H.; Hitchcock, P. B.","1,3-Dinitropyrrolo[1,2-<i>b</i>]isoquinoline-5,10-dione","Acta Crystallographica Section C","1992","48","11","2058","2060","10.1107/S0108270192002774","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000485","16.2","0.002","7.182","0.002","13.758","0.002","90","","126.99","0.01","90","","1278.6","0.5","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","0.5","DU0326","Bois, C.; Martin, R.","Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone","Acta Crystallographica Section C","1992","48","11","2060","2061","10.1107/S0108270192003524","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000486","14.075","0.002","14.075","0.002","10.115","0.002","90","","90","","120","","1735.4","0.5","293","","","","","","","","","","","4","P 31","","","","","","- Er0.05 F4 K Y0.95 -","- F4 K Y -","- F72 K18 Y18 -","18","6","DU1003","Le Fur, Y.; Khaidukov, N. M.; Aléonard, S.","Structure of KY~0.95~Er~0.05~F~4~","Acta Crystallographica Section C","1992","48","11","2062","2064","10.1107/S010827019200461X","","","0.5608","AgKα","","","0.032","","","0.035","","","","","3.494","3.494","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000487","4.6445","0.0007","4.6445","0.0007","9.354","0.002","90","","90","","120","","174.75","0.05","293","1","293","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- In La Pd2 -","- In La Pd2 -","- In2 La2 Pd4 -","2","0.0833333","SH1014","Xue, B.; Schwer, H.; Hulliger, F.","Structure of LaPd~2~In","Acta Crystallographica Section C","1992","48","11","2064","2065","10.1107/S0108270192007303","","","0.71073","MoKα","","0.0377","0.0369","","0.0977","0.0974","","","","1.565","1.572","1.572","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000488","6.077","0.001","6.077","0.001","36.659","0.006","90","","90","","120","","1172.4","0.3","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Al13.4 Ba15 Ga14.5 -","- Al2.07 Ba15 Ga7.86 -","- Al2.07 Ba15 Ga7.86 -","1","0.0277778","NA1010","Fornasini, M. L.; Pani, M.","Ba~15~Al~13.4~Ga~14.5~, a disordered structure derived from Sr~5~Al~9~","Acta Crystallographica Section C","1992","48","11","2067","2069","10.1107/S0108270192007534","","","0.7107","MoKα","","","0.053","","","0.081","","","","","5.8","5.8","","","","","has coordinates","203894","2020-10-21","18:00:00",""
"2000489","15.81","0.003","6.052","0.001","10.482","0.002","90.79","0.03","102.31","0.03","89.13","0.03","979.7","0.3","296","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- H13 N3 O8 Se2 -","- H14 N3 O8 Se2 -","- H56 N12 O32 Se8 -","4","","NA1004","Pietraszko, A.; Łukaszewicz, K.; Augustyniak, M. A.","Structure of phase III of (NH~4~)~3~H(SeO~4~)~2~","Acta Crystallographica Section C","1992","48","11","2069","2071","10.1107/S0108270192005006","","","0.71073","MoKα","","","0.0283","","","0.0343","","","","","1.1617","1.1617","","","","","has coordinates","203573","2020-10-21","18:00:00",""
"2000490","19.975","0.007","8.377","0.003","16.234","0.006","90","","103.59","0.04","90","","2640.4","1.7","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C18 H32 Br3 N6 O3 Rh -","- C18 H32 Br3 N6 O3 Rh -","- C72 H128 Br12 N24 O12 Rh4 -","4","1","HH1011","Schaefer, W. P.; Krotz, A. H.; Kuo, L. Y.; Shields, T. P.; Barton, J. K.","Metallointercalators: structure of <i>rac</i>-bis(ethylenediamine)(9,10-phenanthrenequinone diimine)rhodium(III) tribromide trihydrate","Acta Crystallographica Section C","1992","48","11","2071","2073","10.1107/S0108270192006917","","","0.71073","MoKα","","","","","","0.015","","","","","1.16","1.16","","","","","has coordinates","190727","2020-10-21","18:00:00",""
"2000491","9.551","0.002","10.486","0.003","12.543","0.002","90","","90","","90","","1256.2","0.5","0","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cl2 N O Pt S -","- C7 H17 Cl2 N O Pt S -","- C28 H68 Cl8 N4 O4 Pt4 S4 -","4","1","AB1016","Lövqvist, K.; Oskarsson, Å.","Structure of <i>trans</i>-dichloro(dimethylsulfoxide)(piperidine)platinum(II)","Acta Crystallographica Section C","1992","48","11","2073","2075","10.1107/S0108270192007212","","","0.71069","MoKα","","","0.048","","","0.061","","","","","1.04","1.04","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000492","12.073","0.002","13.562","0.002","6.2527","0.0005","101.05","0.09","103.38","0.08","70.76","0.01","932.9","0.4","296","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O2 S3 -","- C19 H16 Br N2 O2 S3 -","- C38 H32 Br2 N4 O4 S6 -","2","1","MU1006","Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.","Regioselective pyrazine ring reduction of 4-(quinoxalin-2-yl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1992","48","11","2075","2078","10.1107/S0108270192006115","","","1.54178","CuKα","","","0.054","","","0.066","","","","","2.42","2.42","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000493","12.288","0.014","14.863","0.011","18.479","0.016","90","","90","","90","","3375","5","298","","","","","","","","","","","5","P c c n","-P 2ab 2ac","","","","","- C32 H44 Br N3 O4 -","- C36 H54 Br N3 O4 -","- C144 H216 Br4 N12 O16 -","4","0.5","MU1007","Elding, M.; Larsson, A.-K.; Svensson, G.; Albertsson, J.; Eberson, L.","Structure of a `hypervalent' linear bis(phthalimidato)bromate(I) complex","Acta Crystallographica Section C","1992","48","11","2078","2080","10.1107/S0108270192006164","","","0.71069","MoKα","","","0.063","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000494","10.046","0.002","12.365","0.002","12.065","0.002","90","","111.6","0.02","90","","1393.5","0.5","292","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","LI1013","Castellano, E. E.; Zukerman-Schpector, J.; Ferraz, H. M. C.; de Souza, A. J. C.; Tenius, B. S. M.","Structure of an intermediate in the synthesis of corymbolone","Acta Crystallographica Section C","1992","48","11","2080","2082","10.1107/S0108270192007455","","","0.71073","MoKα","","","0.055","","","0.062","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000495","31.196","0.008","7.748","0.001","10.154","0.002","90","","96.32","0.02","90","","2439.4","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 N O4 S -","- C26 H31 N O4 S -","- C104 H124 N4 O16 S4 -","4","2","KA1007","Stanković, S.; Stefanović, A.; Bruvo, M.; Altomare, A.","<small>D</small>-Secoestrone derivatives. II. 16-Cyano-3-methoxy-16,17-secoestra-1,3,5(10)-trien-17-yl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1992","48","11","2082","2085","10.1107/S0108270192006450","","","1.5418","CuKα","","","0.057","","","0.061","","","","","0.6","0.6","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000496","22.046","0.006","6.226","0.001","8.48","0.003","90","","90","","90","","1164","0.6","294","","","","","","","","","","","4","P n a 21","","","","","","- C4 H12 P2 S4 -","- C4 H12 P2 S4 -","- C16 H48 P8 S16 -","4","1","AB1019","Gallacher, A. C.; Pinkerton, A. A.","Structures of bis(dialkylthiophosphoryl) disulfides, [<i>R</i>~2~P(S)]~2~S~2~, <i>R</i> = Me, ^<i>i^</i>Pr, and the question of P-S π bonding","Acta Crystallographica Section C","1992","48","11","2085","2088","10.1107/S0108270192008333","","","0.71073","MoKα","","","0.042","","","0.041","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000497","7.616","0.001","11.378","0.001","12.403","0.002","68.33","0.01","72.61","0.01","85.53","0.01","952.5","0.2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H28 P2 S4 -","- C12 H28 P2 S4 -","- C24 H56 P4 S8 -","2","1","AB1019","Gallacher, A. C.; Pinkerton, A. A.","Structures of bis(dialkylthiophosphoryl) disulfides, [<i>R</i>~2~P(S)]~2~S~2~, <i>R</i> = Me, ^<i>i^</i>Pr, and the question of P-S π bonding","Acta Crystallographica Section C","1992","48","11","2085","2088","10.1107/S0108270192008333","","","0.71073","MoKα","","","0.025","","","0.032","","","","","1","1","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000498","9.622","0.002","27.282","0.007","8.107","0.002","90","","90","","90","","2128.1","0.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl (2R, 3R, SR)-3-(Ethoxycarbonyloxy)-2-[1-(p-tolylsulfinyl) cyclopropyl]-1-pyrrolidinecarboxylate","","- C20 H27 N O6 S -","- C10 H13.5 N0.5 O3 S0.5 -","- C40 H54 N2 O12 S2 -","4","2","CR1017","Robinson, P. D.; Hua, D. H.; Wu, X.; Miao, S. W.; Meled, M.","Ethyl (2<i>R</i>,3<i>R</i>,<i>SR</i>)-3-(ethoxycarbonyloxy)-2-[1-(<i>p</i>-tolylsulfinyl)cyclopropyl]-1-pyrrolidinecarboxylate","Acta Crystallographica Section C","1992","48","11","2088","2090","10.1107/S010827019200814X","","","0.71069","MoKα","","","0.056","","","0.053","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000499","6.562","0.004","20.473","0.011","15.202","0.006","90","","94.73","","90","","2035.3","1.8","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 Si -","- C19 H29 N O3 Si -","- C76 H116 N4 O12 Si4 -","4","2","HH1008","Schaefer, W. P.; Subramanian, V.; Myers, A. G.","Structure of an 11-membered cyclic silyl enol ether from condensation of methacrolein and a pseudoephedrine-derived <i>O</i>-silyl ketene <i>N</i>,<i>O</i>-acetal","Acta Crystallographica Section C","1992","48","11","2090","2092","10.1107/S0108270192006851","","","0.71073","MoKα","","","","","","0.05","","","","","1.72","1.72","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000500","14.232","0.003","5.973","0.001","14.98","0.002","90","","93.52","0.01","90","","1271","0.4","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O S3 -","- C13 H14 O S3 -","- C52 H56 O4 S12 -","4","1","HH1012","Watson, W. H.; Krawiec, M.; Ghosh, T.; Bartlett, P. D.","<i>endo</i>-2-Phenyl-<i>exo</i>-3,4,5-trithiatricyclo[5.2.1.0^2,6^]decane <i>exo</i>-4-oxide","Acta Crystallographica Section C","1992","48","11","2092","2094","10.1107/S0108270192007030","","","0.71073","MoKαradiation,graphitemonochromator","","0.041","0.0346","","0.0394","0.0388","","","","","1.737","1.737","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2000501","7.7819","0.0008","8.069","0.002","11.574","0.002","90","","90","","90","","726.8","0.2","291","","","","","","","","","","","4","P c n b","","","","","","- C5 H12 N2 O4 -","- C5 H12 N2 O4 -","- C20 H48 N8 O16 -","4","0.5","PA1005","Bréhin, P.; Kozelka, J.; Bois, C.","Diammonium cyclopropane-1,1-dicarboxylate","Acta Crystallographica Section C","1992","48","11","2094","2096","10.1107/S0108270192006802","","","0.7107","MoKα","","","0.032","","","0.031","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000502","24.565","0.002","17.75","0.002","10.959","0.003","90","","105.24","0.03","90","","4610.4","1.6","294","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C26 H24 N4 O4 -","- C26 H23 N4 O4 -","- C208 H184 N32 O32 -","8","1","CR0411","Liu, H.; Wang, X.; Zhang, X.","Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid","Acta Crystallographica Section C","1992","48","11","2096","2098","10.1107/S010827019200828X","","","0.7107","MoKα","","","0.052","","","0.047","","","","","3.75","3.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000503","12.326","0.002","17.177","0.001","5.906","0.002","90","","90","","106.4","0.01","1199.6","0.5","293","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","","","","","- C14 H13 N S -","- C14 H13 N S -","- C56 H52 N4 S4 -","4","1","DU1010","Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M.","(<i>E</i>)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide","Acta Crystallographica Section C","1992","48","11","2098","2100","10.1107/S0108270192007339","","","0.71069","MoKα","","","0.045","","","0.044","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000504","10.605","0.0009","10.605","0.0009","6.4099","0.0005","90","","90","","90","","720.9","0.1","","","","","","","","","","","","5","P -4 m 2","P -4 -2","","","","","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","1","0.125","DU0309","Leclaire, A.; Borel, M. M.; Chardon, J.; Grandin, A.; Raveau, B.","A niobium silicophosphate belonging to the niobium phosphate bronze series: K~4~Nb~8~P~4~SiO~34~","Acta Crystallographica Section C","1992","48","10","1744","1747","10.1107/S0108270192002129","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000505","9.254","0.005","12.747","0.003","7.805","0.002","90","","96.43","0.02","90","","914.9","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- K2 N4 O8 Pd -","- K2 N4 O8 Pd -","- K8 N16 O32 Pd4 -","4","1","HA0078","Blake, A. J.; Gould, R. O.; Johnson, B. F. G.; Parisini, E.","Redetermination of the structure of potassium tetranitropalladate(II)","Acta Crystallographica Section C","1992","48","10","1749","1751","10.1107/S0108270192000192","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000506","8.703","0.002","16.025","0.008","6.799","0.002","90","","100.83","0.02","90","","931.3","0.6","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Au Br N4 S2 -","- C2 H8 Au Br N4 S2 -","- C8 H32 Au4 Br4 N16 S8 -","4","0.5","HH0577","Porter, L. C.; Fackler, Jnr, J. P.; Costamagna, J.; Schmidt, R.","Structure of bis(thiourea)gold(I) bromide, [Au{SC(NH~2~)~2~}~2~]Br","Acta Crystallographica Section C","1992","48","10","1751","1754","10.1107/S0108270192001860","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000507","6.44","0.003","16.608","0.001","7.641","0.002","86.61","0.02","89.21","0.02","105.13","0.03","787.2","0.4","","","","","","","","","","","","6","A -1","","","","","","- C10 H24 Br Cl2 Cr N4 -","- C10 H24 Br Cl2 Cr N4 -","- C20 H48 Br2 Cl4 Cr2 N8 -","2","","HE0038","Dealwis, C. G.; Janes, R. W.; Palmer, R. A.; Lisgarten, J. N.; Maes, D.; Flint, C. D.; Gazi, D. M.","Structures of chromium(III) cyclam complexes. 3. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide","Acta Crystallographica Section C","1992","48","10","1754","1756","10.1107/S0108270192000040","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000508","7.775","0.001","7.775","0.001","13.686","0.002","90","","90","","90","","827.33","0.19","","","","","","","","","","","","6","P 42/m","-P 4c","","","","","- C10 H24 Br2 Cl Cr N4 -","- C10 H24 Br3 Cl2 Cr N4 -","- C20 H48 Br6 Cl4 Cr2 N8 -","2","0.25","HE0039","Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M.","Structures of chromium(III) cyclam complexes. 4. Structure of <i>trans</i>-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex","Acta Crystallographica Section C","1992","48","10","1756","1759","10.1107/S0108270192000039","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000509","10.704","0.001","19.562","0.003","19.823","0.003","90","","90","","90","","4150.8","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H39 Nb O4 -","- C54 H39 Nb O4 -","- C216 H156 Nb4 O16 -","4","1","HU0405","Yu, J. S.; Fanwick, P. E.; Rothwell, I. P.","Structure of a tetrahedral niobium oxo compound [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)]","Acta Crystallographica Section C","1992","48","10","1759","1761","10.1107/S0108270192001744","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000510","9.266","0.003","11.385","0.003","12.606","0.003","112.72","","99.9","0.02","103.24","","1142.7","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 F12 Ni O6 P2 -","- C46 H32 F12 Ni O6 P2 -","- C46 H32 F12 Ni O6 P2 -","1","0.5","HH0620","Polam, J. R.; Porter, L. C.","Structure of bis(hexafluoroacetylacetonato)bis(triphenylphosphine oxide)nickel(II)","Acta Crystallographica Section C","1992","48","10","1761","1764","10.1107/S0108270192001975","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000511","9.89","0.004","10.942","0.004","11.114","0.004","100.48","0.03","105.45","0.03","108.87","0.03","1048.5","0.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 F24 Ni2 O12 -","- C28 F24 Ni2 O12 -","- C28 F24 Ni2 O12 -","1","0.5","HH0565","Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.","Structure of μ-dioxane-bis[(ethanol)bis(hexafluoroacetylacetonato)nickel(II)]","Acta Crystallographica Section C","1992","48","10","1764","1767","10.1107/S0108270192001884","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000512","19.759","0.003","17.016","0.003","13.661","0.003","90","","90","","90","","4593.1","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C16 H32 Cl2 N4 Ni O8 -","- C16 H32 Cl2 N4 Ni O8 -","- C128 H256 Cl16 N32 Ni8 O64 -","8","1","CR0408","Szalda, D. J.; Fujita, E.","Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate","Acta Crystallographica Section C","1992","48","10","1767","1771","10.1107/S0108270192002397","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000513","10.257","0.003","10.742","0.002","10.885","0.002","90","","111.46","0.02","90","","1116.2","0.5","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cl2 N4 Ni O8 -","- C16 H32 Cl2 N4 Ni O8 -","- C32 H64 Cl4 N8 Ni2 O16 -","2","0.5","CR0408","Szalda, D. J.; Fujita, E.","Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate","Acta Crystallographica Section C","1992","48","10","1767","1771","10.1107/S0108270192002397","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000514","8.641","0.005","9.478","0.002","12.338","0.005","75.58","0.03","80.39","0.04","63.75","0.03","875.8","0.7","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H58 Sc2 -","- C40 H58 Sc2 -","- C40 H58 Sc2 -","1","0.5","HH0622","Hajela, S.; Schaefer, W. P.; Bercaw, J. E.","Structure of a permethylcyclopentadienyl-μ-tetramethylcyclopentadienylmethylene scandium dimer","Acta Crystallographica Section C","1992","48","10","1771","1773","10.1107/S0108270192002038","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000515","13.11","0.008","17.163","0.015","20.623","0.014","104.02","0.07","99.38","0.05","100.24","0.06","4326","6","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H64 Cl2 Li O2 Si3 Y -","- C34 Cl2 Li O2 Si3 Y -","- C136 Cl8 Li4 O8 Si12 Y4 -","4","2","HH0616","Marsh, R. E.; Schaefer, W. P.; Coughlin, E. B.; Bercaw, J. E.","A silicon-bridged bis(substituted Cp) yttrium complex","Acta Crystallographica Section C","1992","48","10","1773","1776","10.1107/S0108270192001987","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","287963","2023-12-04","08:48:51",""
"2000516","8.625","0.002","20.593","0.008","14.451","0.004","90","","90.32","0.02","90","","2566.7","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N6 O1.5 Pt -","- C26 H34 N6 O2 Pt -","- C104 H136 N24 O8 Pt4 -","4","1","HH0621","Schaefer, W. P.; Connick, W. B.; Miskowski, V. M.; Gray, H. B.","A bis(pyrazolyl)(bipyridyl)platinum complex","Acta Crystallographica Section C","1992","48","10","1776","1778","10.1107/S0108270192002026","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000517","11.756","0.003","12.683","0.002","8.448","0.002","90","","100.42","0.01","90","","1238.8","0.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Br4 Hg2 S6 -","- C12 H24 Br4 Hg2 S6 -","- C24 H48 Br8 Hg4 S12 -","2","0.5","AB0268","Herceg, M.; Matković-Čalogović, D.","Tetrabromo(1,4,7,10,13,16-hexathiacyclooctadecane)dimercury(II)","Acta Crystallographica Section C","1992","48","10","1779","1782","10.1107/S0108270192002671","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000518","8.471","0.001","10.157","0.001","14.821","0.003","102.81","0.01","97.74","0.01","103.52","0.01","1185.4","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Ca Cl2 O12 -","- C12 H36 Ca Cl2 O12 -","- C24 H72 Ca2 Cl4 O24 -","2","1","CD0085","Rogers, R. D.; Bond, A. H.","Structure of [Ca(triethylene glycol)~2~]Cl~2~.4H~2~O","Acta Crystallographica Section C","1992","48","10","1782","1785","10.1107/S010827019200235X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000519","19.113","0.003","15.079","0.002","5.782","0.001","90","","90","","90","","1666.4","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C13 H18 Cu N4 O7 -","- C13 H17 Cu N4 O7 -","- C52 H68 Cu4 N16 O28 -","4","1","MU0253","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate","Acta Crystallographica Section C","1992","48","10","1785","1788","10.1107/S0108270192000568","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191052","2020-10-21","18:00:00",""
"2000520","9.307","0.002","9.307","0.002","44.432","","90","","90","","120","","3333.1","1","","","","","","","","","","","","6","P 61","P 61","","","","","- C19 H26 Cl Cu N3 O7 -","- C19 H14 Cl Cu N3 O7 -","- C114 H84 Cl6 Cu6 N18 O42 -","6","1","MU0253","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate","Acta Crystallographica Section C","1992","48","10","1785","1788","10.1107/S0108270192000568","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191086","2020-10-21","18:00:00",""
"2000521","9.188","0.003","14.229","0.002","10.628","0.012","90","","104.74","0.06","90","","1343.7","1.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 I O2 -","- C11 H19 I O2 -","- C44 H76 I4 O8 -","4","1","PA0268","Sans-Lenain, S.; Reynes, A.; Gleizes, A.","4-Iodo-2,2,6,6-tetramethylheptane-3,5-dione","Acta Crystallographica Section C","1992","48","10","1788","1791","10.1107/S0108270192001537","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000522","16.247","0.009","11.182","0.007","13.42","0.006","90","","91.62","0.04","90","","2437","2","","","","","","","","","","","","5","C 1 2 1","","","","","","- C21 H25 N O10 S -","- C21 H25 N O10 S -","- C84 H100 N4 O40 S4 -","4","1","PA0259","Durier, V.; Driguez, H.; Rollin, P.; Duee, E.; Buisson, G.","Stereochemical investigation of 2,3,4,6-tetra-<i>O</i>-acetyl-1-<i>S</i>-benzhydroximoyl-α-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1992","48","10","1791","1794","10.1107/S0108270192001550","","","0.711","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000523","9.7768","0.0004","10.6279","0.0003","15.3157","0.0004","90","","90","","90","","1591.41","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O -","- C15 H19 Cl N2 O -","- C60 H76 Cl4 N8 O4 -","4","1","KA0013","Csöregh, I.","Structures and absolute configurations of enantiomers of two local anaesthetics: (2<i>S</i>)-1-methyl- and (2<i>R</i>)-1-butyl-2',6'-pipecoloxylidide hydrochlorides","Acta Crystallographica Section C","1992","48","10","1794","1798","10.1107/S0108270192001604","","","1.54183","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000524","9.7018","0.0006","10.9221","0.0008","9.9519","0.0007","90","","114.38","0.06","90","","960.5","0.5","","","","","","","","","","","","5","P 1 21 1","","","","","","- C18 H30 Cl N2 O -","- C18 H29 Cl N2 O -","- C36 H58 Cl2 N4 O2 -","2","1","KA0013","Csöregh, I.","Structures and absolute configurations of enantiomers of two local anaesthetics: (2<i>S</i>)-1-methyl- and (2<i>R</i>)-1-butyl-2',6'-pipecoloxylidide hydrochlorides","Acta Crystallographica Section C","1992","48","10","1794","1798","10.1107/S0108270192001604","","","1.54183","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000525","24.324","0.004","6.537","0.002","15.598","0.002","90","","93.52","0.01","90","","2475.5","0.9","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C120 H88 Cl8 O16 -","8","1","GE0304","Gilli, P.; Ferretti, V.; Bertolasi, V.; Gilli, G.","Structure of 3-(<i>p</i>-chlorophenyl)-1-phenyl-1,3-propanedione enol","Acta Crystallographica Section C","1992","48","10","1798","1801","10.1107/S0108270192001719","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000526","6.161","0.002","8.045","0.003","20.811","0.006","90","","90","","90","","1031.5","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","AL0526","Regan, A. C.; Wallis, J. D.; Povey, D. C.","A urea with non-planar nitrogen-bonding geometry","Acta Crystallographica Section C","1992","48","10","1801","1804","10.1107/S0108270192001641","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000527","9.821","0.001","10.222","0.003","13.871","0.001","90","","90","","90","","1392.5","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Cl N O3 -","- C12 H22 Cl N O3 -","- C48 H88 Cl4 N4 O12 -","4","1","PA0272","Dupont, L.; Dideberg, O.; Pardon, M. C.; Piette, J. L.","Structure du chlorhydrate de (1<i>R</i>,2<i>S</i>)(3-hydroxy-3-<i>m</i>-hydroxyphényl-2-propyl)triméthylammonium monohydrate","Acta Crystallographica Section C","1992","48","10","1804","1806","10.1107/S0108270192001562","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000528","11","0.02","7.48","0.01","7.49","0.01","90","","114.3","0.1","90","","561.7","1.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C24 H34 N2 O4 -","2","1","PA0249","Lapasset, J.; El Marini, A.; Roumestant, M. L.; Vidal, Y.; Viallefont, P.","Structure of the lactonic adduct from 2-hydroxypinan-3-one and glycine","Acta Crystallographica Section C","1992","48","10","1806","1808","10.1107/S0108270192001823","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000529","16.398","0.007","8.128","0.003","7.937","0.003","90","","92.13","","90","","1057.1","0.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O2 S2 -","- C10 H12 O2 S2 -","- C40 H48 O8 S8 -","4","1","PA0269","Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.","Structure du 2,3-dihydro-3-(2-hydroxyéthylthio)benzo[<i>b</i>]thiophène 1-oxyde, C~10~H~12~O~2~S~2~","Acta Crystallographica Section C","1992","48","10","1808","1810","10.1107/S0108270192002002","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000530","18.917","0.01","11.843","0.008","13.177","0.007","90","","90","","90","","2952","3","","","","","","","","","","","","3","P b c n","","","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","CR0397","Meyers, C. Y.; Tunnell, J. L.; Robinson, P. D.; Hua, D. H.; Saha, S.","Structure of <i>sp</i>-9-hydroxy-9-pivaloylfluorene, product of base-catalyzed autoxidation of <i>ap</i>-9-pivaloylfluorene","Acta Crystallographica Section C","1992","48","10","1815","1818","10.1107/S0108270192002014","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000531","15.582","0.005","15.582","0.005","17.528","0.005","90","","90","","90","","4256","2","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","1","NA1000","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of (<i>E</i>)-4-benzoylbutyramide oxime","Acta Crystallographica Section C","1992","48","10","1819","1821","10.1107/S0108270192004463","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2000532","7.9333","0.0007","25.947","0.002","11.855","0.001","90","","90","","90","","2440.3","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","NA1001","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of 3-benzoylbenzamide oxime","Acta Crystallographica Section C","1992","48","10","1821","1823","10.1107/S010827019200458X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000533","14.348","0.004","13.086","0.004","11.851","0.002","90","","90","","90","","2225.1","1","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","NA0013","Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.","Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)","Acta Crystallographica Section C","1992","48","10","1823","1827","10.1107/S0108270192001859","","","0.71073","X-rayMoKalphamean","","0.079","0.042","","","0.044","","","","","0.82","0.82","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000534","7.92","0.001","11.507","0.001","22.519","0.002","90","","90","","90","","2052.3","0.4","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","1","NA0013","Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.","Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)","Acta Crystallographica Section C","1992","48","10","1823","1827","10.1107/S0108270192001859","","","1.54184","X-rayCu-Kalpha","","0.069","0.047","","","0.041","","","","","0.68","0.68","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000535","19.95","0.01","9.782","0.005","22.07","0.01","90","","102.82","0.03","90","","4200","4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 F N4 O2 -","- C24 H25 F N4 O2 -","- C192 H200 F8 N32 O16 -","8","2","NA0018","Jottier, W. I.; De Winter, H. L.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure of the antipsychotic drug 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl}-2,9-dimethyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (ocaperidone)","Acta Crystallographica Section C","1992","48","10","1827","1830","10.1107/S0108270192001677","","","0.71069","Mo-Kalpha","","","0.071","","","0.075","","","","","2.71","2.71","","","","","has coordinates,has disorder","278324","2022-10-03","14:41:52",""
"2000536","12.618","0.004","12.618","0.004","12.618","0.004","90","","90","","90","","2009","1.1","","","","","","","","","","","","4","I -4 3 d","","","","","","- B K O6 Si2 -","- B3 K O6 Si3 -","- B48 K16 O96 Si48 -","16","0.333333","KA0017","Mikloš, D.; Smrčok, Ľ.; Ďurovič, S.; Gyepesová, D.; Handlovič, M.","Refinement of the structure of boroleucite, K(BSi~2~O~6~)","Acta Crystallographica Section C","1992","48","10","1831","1832","10.1107/S0108270192002270","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000537","9.875","0.003","14.794","0.005","14.917","0.005","71.99","0.02","70.41","0.02","74.67","0.02","1920.8","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 Cl2 Mn O P2 -","- C44 H39 Cl2 Mn O P2 -","- C88 H78 Cl4 Mn2 O2 P4 -","2","1","HH0611","Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Terry, M. R.; Geoffroy, G. L.","Carbonyl(1-methyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)manganese dichloromethane solvate","Acta Crystallographica Section C","1992","48","10","1832","1834","10.1107/S0108270192002191","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","202203","2020-10-21","18:00:00",""
"2000538","10.721","0.001","10.716","0.001","16.365","0.002","90","","90","","90","","1880.1","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl P Se Sn -","- C16 H20 Cl P Se Sn -","- C64 H80 Cl4 P4 Se4 Sn4 -","4","1","AL0530","Preut, H.; Godry, B.; Mitchell, T. N.","Structure of [2-(chlorodimethylstannyl)ethyl]diphenylphosphine selenide","Acta Crystallographica Section C","1992","48","10","1834","1835","10.1107/S0108270192001793","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000539","15.783","0.003","15.783","0.003","16.965","0.008","90","","90","","90","","4226","2","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","","","","","- C20 H20 Cl2 N4 Ni -","- C20 H20 Cl2 N4 Ni -","- C160 H160 Cl16 N32 Ni8 -","8","","HH0615","Bachman, R. E.; Whitmire, K. H.; Mandal, S.; Bharadwaj, P. K.","Dichlorotetrakis(pyridine)nickel(II)","Acta Crystallographica Section C","1992","48","10","1836","1837","10.1107/S0108270192001872","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000540","7.101","0.002","13.92","0.003","19.05","0.004","90","","98.47","0.02","90","","1862.5","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl4 N6 Ti2 -","- C12 H14 Cl4 N6 Ti2 -","- C48 H56 Cl16 N24 Ti8 -","4","1","CR0406","Kirschbaum, K.; Giolando, D. M.","Structure of the μ-azido-dichloro(η^5^-methylcyclopentadienyl)titanium(IV) dimer","Acta Crystallographica Section C","1992","48","10","1837","1839","10.1107/S0108270192002385","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000541","10.671","0.001","11.777","0.002","25.494","0.001","90","","98.148","0.005","90","","3171.5","0.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C36 H30 Cl O P Sn -","- C36 H30 Cl O P Sn -","- C144 H120 Cl4 O4 P4 Sn4 -","4","1","AS0567","Ng, S. W.; Kumar Das, V. G.","Structure of triphenyltin chloride-triphenylphosphine oxide (1/1) complex","Acta Crystallographica Section C","1992","48","10","1839","1841","10.1107/S0108270192001306","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000542","11.732","0.005","12.404","0.004","16.194","0.005","90","","108.8","0.03","90","","2230.9","1.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Cl Co N4 O7 -","- C25 H16 Cl Co N4 O7 -","- C100 H64 Cl4 Co4 N16 O28 -","4","1","AL0481","McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A.","Carbonatobis(1,10-phenanthroline)cobalt(III) perchlorate","Acta Crystallographica Section C","1992","48","10","1841","1842","10.1107/S0108270192002105","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000543","6.701","0.001","8.674","0.001","9.179","0.001","83.5","0.01","89.37","0.01","74.35","0.01","510.34","0.11","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H8 Cl8 F6 Mo2 N4 O2 -","- C4 H8 Cl8 F6 Mo2 N4 O2 -","- C4 H8 Cl8 F6 Mo2 N4 O2 -","1","0.5","SE1001","Herbst-Irmer, R.; Egert, E.","Structure of bis(trifluoracetamidinium) di-μ-chloro-hexachlorodioxodimolybdate(V)","Acta Crystallographica Section C","1992","48","10","1843","1844","10.1107/S0108270192002488","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000544","12.379","0.005","13.79","0.006","16.031","0.006","90","","99.73","0.04","90","","2697.2","1.9","","","","","","","","","","","","8","P 1 21/c 1","","","","","","- C14 H27 B Cl3 F4 N Ni2 S6 -","- C14 H27 B Cl3 F6 N Ni2 S6 -","- C56 H108 B4 Cl12 F24 N4 Ni8 S24 -","4","1","HA0100","Blake, A. J.; Halcrow, M. A.; Schröder, M.","Tri-μ-chloro-bis(1,4,7-trithiacyclononane)dinickel(II) tetrafluoroborate acetonitrile solvate","Acta Crystallographica Section C","1992","48","10","1844","1846","10.1107/S0108270192002439","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000545","23.867","0.002","9.492","0.001","11.615","0.0006","90","","90","","90","","2631.3","0.4","","","","","","","","","","","","4","P n a 21","","","","","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C116 H124 N12 O20 -","4","1","PA0267","Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B.","Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline-5-carboxylate","Acta Crystallographica Section C","1992","48","10","1846","1848","10.1107/S0108270192001161","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000546","12.384","0.001","17.786","0.001","21.903","0.002","97.68","0.01","96.96","0.01","105.73","0.01","4539","0.7","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H70 O5 -","- C51.5 O5.5 -","- C206 O22 -","4","2","AB0181","Bugge, K.-E.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","Ethanol complex of 1,3-diethoxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1992","48","10","1848","1851","10.1107/S0108270192001239","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000547","9.521","0.003","13.007","0.004","14.116","0.006","90","","100.77","0.01","90","","1717.3","1.1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl N3 S -","- C18 H18 Cl N3 S -","- C72 H72 Cl4 N12 S4 -","4","1","PA0271","Dupont, L.; Dideberg, O.; Liégeois, J. F.; Delarge, J.","Structure du 8-chloro-11-(4-méthylpipérazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-thiazépine","Acta Crystallographica Section C","1992","48","10","1851","1853","10.1107/S0108270192001021","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000548","6.739","0.005","16.963","0.006","17.094","0.006","90","","90","","90","","1954.1","1.7","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","AB0231","Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H.","Structure of xindongnin B","Acta Crystallographica Section C","1992","48","10","1853","1855","10.1107/S0108270191013410","","","1.541","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000549","15.608","0.004","8.637","0.002","17.273","0.005","90","","97.71","0.02","90","","2307.5","1","","","","","","","","","","","","5","P 1 21 1","","","","","","- C23 H34 Cl N O3 -","- C23 H34 Cl N O3 -","- C92 H136 Cl4 N4 O12 -","4","2","HH0604","Flippen-Anderson, J. L.; George, C. F.","Absolute configuration of ({-})-α-acetylmethadol hydrochloride","Acta Crystallographica Section C","1992","48","10","1855","1857","10.1107/S0108270192001409","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2000550","7.766","0.006","11.809","0.004","27.219","0.011","90","","90","","90","","2496","2","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","1","ST0563","Baures, P. W.; Miski, M.; Eggleston, D. S.","Structure of 3,6-diacetyl-8-benzoylantakyatriol","Acta Crystallographica Section C","1992","48","10","1857","1859","10.1107/S0108270192001598","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000551","14.392","0.002","18.837","0.003","10.191","0.002","90.15","0.02","98.72","0.02","85.49","0.02","2722.3","0.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","4","MU0286","Chinnakali, K.; Sivakumar, K.; Natarajan, S.","Structure of 7-diethylamino-4-trifluoromethylcoumarin","Acta Crystallographica Section C","1992","48","10","1859","1862","10.1107/S0108270192000623","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000552","13.075","0.002","13.284","0.003","9.924","0.002","103.68","0.03","95.28","0.03","66.34","0.04","1534","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","2","AS0517","Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G.","Structure of 3-<i>tert</i>-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea","Acta Crystallographica Section C","1992","48","10","1862","1864","10.1107/S0108270191014658","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000553","8.732","0.006","7.639","0.005","14.966","0.01","90","","95.85","0.02","90","","993.1","1.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C44 H54 N2 O8 -","2","1","KA0018","Ribár, B.; Lazar, D.; Radivojević, P.; Engel, P.; Gašić, O.; Kanyó, I.","Structure of corydaline","Acta Crystallographica Section C","1992","48","10","1864","1866","10.1107/S0108270192001951","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000554","5.726","0.006","14.234","0.007","20.08","0.01","90","","92.54","0.07","90","","1635","2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 O3 P -","- C18 H19 O3 P -","- C72 H76 O12 P4 -","4","1","CR0403","Hua, D. H.; Roche, D.; Bharathi, S. N.; Wu, X.; Robinson, P. D.","Structure of <i>cis</i>,<i>cis</i>-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide","Acta Crystallographica Section C","1992","48","10","1866","1868","10.1107/S0108270192002051","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000555","22.704","0.005","10.33","0.002","14.808","0.003","90","","105.79","0.03","90","","3341.9","1.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","HH0582","Toscano, R. A.; Rubio, M.; Cetina, R.; Pérez-Ibarra, B. M.","Structure of a <i>p</i>-nitrobenzoyl praziquantel analogue","Acta Crystallographica Section C","1992","48","10","1868","1870","10.1107/S0108270192001902","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000556","7.9122","0.0013","27.749","0.008","13.402","0.003","90","","107.094","0.016","90","","2812.5","1.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","CR0385","Lin, T.-Y.; Mao, Y.-L.; Chuo, C.-M.","Structure of 10-acetyloxy-10-methyl-9(10<i>H</i>)-anthracenone","Acta Crystallographica Section C","1992","48","10","1870","1872","10.1107/S010827019200204X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000557","8.1446","0.0011","12.238","0.002","14.186","0.003","90","","90","","90","","1414","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N8 O8 -","- C9 H14 N8 O8 -","- C36 H56 N32 O32 -","4","1","HH0608","Gilardi, R.; Flippen-Anderson, J. L.; George, C. F.","Structure of 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane","Acta Crystallographica Section C","1992","48","10","1872","1873","10.1107/S0108270192001707","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000558","6.657","0.001","8.742","0.001","15.894","0.001","90","","101.23","0.01","90","","907.25","0.18","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N4 O2 -","- C7 H14 N4 O2 -","- C28 H56 N16 O8 -","4","1","NA0014","Meetsma, A.; van Aken, E.; Wynberg, H.","Structure of a bicyclic guanidinium nitrite salt","Acta Crystallographica Section C","1992","48","10","1874","1876","10.1107/S0108270192002282","","","0.71073","X-rayMoKalphamean","","","0.043","","","0.035","","","","","1.816","1.816","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000559","12.755","0.001","11.221","0.002","21.77","0.002","90","","94.16","0.02","90","","3107.6","0.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 Se -","- C16 H14 Br2 Se -","- C128 H112 Br16 Se8 -","8","2","LI0102","Zukerman-Schpector, J.; Castellano, E. E.; Comasseto, J. V.; Stefani, H. A.","Structure of 1,1-dibromo-2-phenylseleno-3-<i>p</i>-tolylcyclopropane","Acta Crystallographica Section C","1992","48","10","1876","1878","10.1107/S0108270192002427","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000560","9.463","0.002","11.251","0.003","18.871","0.006","90","","90","","90","","2009.2","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","ST0565","Lynch, V. M.; Corbett, J. W.; Martin, S. F.; Davis, B. E.","Structure of a chiral intermediate in the synthesis of (+)-19-epiajmalicine","Acta Crystallographica Section C","1992","48","10","1878","1880","10.1107/S0108270192002336","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000561","13.686","0.002","5.874","0.002","11.03","0.003","90","","96.62","0.03","90","","880.8","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","PA0237","Bocelli, G.; Cantoni, A.","2-Menthyl (2-hydroxyphenyl)glycolate","Acta Crystallographica Section C","1992","48","10","1880","1881","10.1107/S0108270192002324","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000562","20.604","0.005","12.694","0.005","12.647","0.005","93.64","0.05","105.69","0.05","85.89","0.05","3173","2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H62 O9 S9 -","- C63 H62 O9 S9 -","- C126 H124 O18 S18 -","2","1","AL0531","Roos, H. M.; Dillen, J. L. M.","Structure of tris(5-acetyl-3-thienyl)methane-<i>n</i>-hexane (3/1) inclusion compound","Acta Crystallographica Section C","1992","48","10","1882","1884","10.1107/S0108270192002312","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000563","6.228","0.003","20.315","0.008","11.104","0.006","90","","103.87","0.05","90","","1363.9","1.2","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C13 H22 N2 O2 -","- C16 H33 N2 O2 -","- C64 H132 N8 O8 -","4","1","HU0411","van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","<i>N</i>,<i>N</i>-Diethyl-6-(hydroxyimino)-α-methyl-1-cyclohexene-1-acetamide","Acta Crystallographica Section C","1992","48","10","1884","1886","10.1107/S0108270192001756","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000564","13.123","0.007","11.24","0.008","9.666","0.006","90","","99.22","0.05","90","","1407.3","1.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O2 -","- C13 H22 N2 O2 -","- C52 H88 N8 O8 -","4","1","HU0413","van Eijk, P. J. S. S.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","<i>N</i>,<i>N</i>-Diethyl-2-[2-(hydroxyimino)cyclohexylidine]propanamide","Acta Crystallographica Section C","1992","48","10","1886","1887","10.1107/S0108270192001768","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000565","20.52","0.002","10.647","0.001","18.26","0.002","90","","91.015","0.008","90","","3988.8","0.7","299","","299","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(μ-2,2-dimethylpropanoate-O,O')di(2,5-lutidine)dinickel","","- C34 H54 N2 Ni2 O8 -","- C34 H54 N2 Ni2 O8 -","- C136 H216 N8 Ni8 O32 -","4","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.043","","","0.031","","","","","2.29","2.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000566","13.231","0.001","13.857","0.001","11.425","0.001","99.48","0.01","104.63","0.01","109.68","0.01","1835.3","0.3","297","","297","1","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-2,2-diphenylpropanoate-O,O')di(quinoline)dinickel bis(trichloromethane)","","- C80 H68 Cl6 N2 Ni2 O8 -","- C80 H66 Cl6 N2 Ni2 O8 -","- C80 H66 Cl6 N2 Ni2 O8 -","1","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.081","","","0.087","","","","","6.176","6.176","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000567","10.992","0.001","20.932","0.001","10.964","0.001","90","","90.587","0.005","90","","2522.5","0.3","300","","300","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(μ-2-methyl-2-phenylpropanoato-O,O')di(quinoline)dinickel","","- C58 H58 N2 Ni2 O8 -","- C58 H58 N2 Ni2 O8 -","- C116 H116 N4 Ni4 O16 -","2","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.041","","","0.026","","","","","1.726","1.726","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000568","10.616","0.001","11.059","0.001","9.826","0.001","98.22","0.01","109.03","0.01","62.52","0.01","967.47","0.19","299","","299","1","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-2,2-dimethylpropanoato-O,O')di(2-ethylpyridine)dinickel","","- C34 H54 N2 Ni2 O8 -","- C34 H54 N2 Ni2 O8 -","- C34 H54 N2 Ni2 O8 -","1","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.042","","","0.037","","","","","3.624","3.624","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000569","10.541","0.001","10.724","0.001","9.68","0.001","97.2","0.01","108.48","0.01","63.31","0.01","927.05","0.19","299","","299","1","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-2,2-dimethylpropanoato-O,O')di(2-picoline)dinickel","","- C32 H50 N2 Ni2 O8 -","- C32 H50 N2 Ni2 O8 -","- C32 H50 N2 Ni2 O8 -","1","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.039","","","0.035","","","","","3.36","3.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000570","14.461","0.001","23.432","0.001","13.542","0.001","90","","112.921","0.004","90","","4226.4","0.5","299","","299","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(μ-methyldiphenylsilanecarboxylato-O,O')bis(triphenylphosphine) dinickel","","- C92 H82 Ni2 O8 P2 Si4 -","- C92 H82 Ni2 O8 P2 Si4 -","- C184 H164 Ni4 O16 P4 Si8 -","2","0.5","AS1007","Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.","Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~","Acta Crystallographica Section C","1992","48","10","1888","1894","10.1107/S0108270192005808","","","0.71073","MoKα","","","0.044","","","0.035","","","","","2.666","2.666","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000571","7.768","0.002","13.524","0.004","16.066","0.004","90","","91.91","0.02","90","","1686.9","0.8","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-(Fluorodimethylstannyl)ethyl]diphenylphosphineoxide","","- C16 H20 F O P Sn -","- C16 H20 F O P Sn -","- C64 H80 F4 O4 P4 Sn4 -","4","1","NA1011","Preut, H.; Godry, B.; Mitchell, T.","Structure of [2-(fluorodimethylstannyl)ethyl]diphenylphosphine oxide","Acta Crystallographica Section C","1992","48","10","1894","1896","10.1107/S0108270192007236","","","0.71073","MoKα","","","0.027","","","0.038","","","","","0.81","0.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000572","11.642","0.0006","9.3595","0.0005","21.0985","0.0011","90","","104.252","0.005","90","","2228.2","0.2","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C20 H52 Cl8 Cr2 N4 O12 Zn2 -","- C20 H44 Cl8 Cr2 N4 O12 Zn2 -","- C40 H88 Cl16 Cr4 N8 O24 Zn4 -","2","0.5","MU1005","Clegg, W.; Straughan, B. P.; Yusoff, A. R.","Structure of a dichromium(II) complex with bridging betaine ligands, [Cr~2~(O~2~CCH~2~NMe~3~)~4~(OH~2~)~2~][ZnCl~4~]~2~.2H~2~O","Acta Crystallographica Section C","1992","48","10","1896","1898","10.1107/S0108270192006103","","","0.71073","MoKα","","","0.0488","","","0.0601","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000573","11.362","0.002","9.962","0.001","22.113","0.003","90","","104.01","0.01","90","","2428.5","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","LI1007","Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.","Structure of 2-[(4-methylphenylimino)methyl]-1-nitrobenzene","Acta Crystallographica Section C","1992","48","10","1898","1900","10.1107/S0108270192005997","","","0.71069","MoKα","","","0.0526","","","0.061","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000574","6.511","0.004","7.18","0.005","14.01","0.01","80.57","0.07","78.93","0.06","81.55","0.05","629.6","0.8","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N8 O9 -","- C6 H10 N8 O8 -","- C12 H20 N16 O16 -","2","1","AB1010","Simonsen, O.","Structure of an oxonium salt crystal complex","Acta Crystallographica Section C","1992","48","10","1900","1902","10.1107/S0108270192006449","","","0.71069","MoKα","","0.197362","0.082","","0.0726","0.0696","","","","2.817","3","3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000575","10.85","0.005","8.206","0.004","10.78","0.004","90","","114.07","0.03","90","","876.3","0.7","130","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C8 H16 O4 -","- C8 H19.5 O4 -","- C32 H78 O16 -","4","1","AB1001","Olmstead, M. M.; Hobbs, J. L.; Planalp, R. P.","Structure of a polydentate alkoxide ligand, <i>cis</i>-tetrahydroxytetramethylcyclobutane","Acta Crystallographica Section C","1992","48","10","1902","1904","10.1107/S0108270192006425","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.13","1.13","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2000576","19.9686","0.0007","16.733","0.0006","11.8636","0.0004","90","","90","","90","","3964","0.2","293","","293","","","","","","","","","6","A e 2 a","A -2ab -2ab","41","","1,3-bis-[triphenylphosphonio]-propadien-bis-[trifluormethanesulfonate]","","- C41 H32 F6 O6 P2 S2 -","- C41 H32 F6 O6 P2 S2 -","- C164 H128 F24 O24 P8 S8 -","4","0.5","SH1002","Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.","Structure of the allene C~39~H~32~P~2~^2+^.2CF~3~O~3~S^{-^}","Acta Crystallographica Section C","1992","48","10","1904","1906","10.1107/S0108270192006127","","","0.7093","MoKα~1~","","","0.041","","","0.027","","","","","2.66","2.66","","","","","has coordinates","203891","2020-10-21","18:00:00",""
"2000577","11.157","0.002","11.873","0.004","7.703","0.001","94.54","0.02","106.08","0.02","72.84","0.02","936.8","0.4","293","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","BR1004","Parvez, M.; Lin, M.-T.; DeShong, P.","{2<i>S</i>-[2α,3α,3aβ,6β(<i>R</i>*),7α,7aα]}-6-(3-Benzyloxy-2-propyl)-2-hydroxy-2,3,7-trimethylhexahydro-4<i>H</i>-furo[3,2-<i>c</i>]pyran-4-one, a rearrangement product of pyranone derivatives in the tirandamycin A series","Acta Crystallographica Section C","1992","48","10","1906","1908","10.1107/S0108270192005754","","","0.71069","MoKα","","","0.0628","","","0.0708","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000578","12.669","0.005","8.76","0.002","9.475","0.005","90","","107.38","0.03","90","","1003.5","0.7","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","1,8-dichloro-5-oxa-10-azatricyclo(5.3.1.0~3,8~)undecan-9-one","","- C9 H11 Cl2 N O2 -","- C9 H11 Cl2 N O2 -","- C36 H44 Cl8 N4 O8 -","4","0.5","AL1017","Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.","1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0^3,8^]undecan-9-one: structure of a hydrolysed Diels-Alder addition product","Acta Crystallographica Section C","1992","48","10","1908","1909","10.1107/S0108270192007340","","","0.71069","MoKα","","","0.036","","","0.044","","","","","1.95","1.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000579","7.6772","0.0006","6.2628","0.0005","12.4889","0.0008","90","","104.879","0.006","90","","580.34","0.08","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","Oxonium (R)-O-acetylmandelate","","- C10 H12 O5 -","- C10 H12 O5 -","- C20 H24 O10 -","2","1","HA1019","Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.","Oxonium (<i>R</i>)-<i>O</i>-acetylmandelate","Acta Crystallographica Section C","1992","48","10","1909","1911","10.1107/S0108270192008199","","","0.7093","MolybdenumKα","","0.053","0.039","","0.061","0.055","","","","","1.24","1.24","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2000580","7.651","0.002","21.79","0.01","6.689","0.002","90","","113.85","0.03","90","","1019.9","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H26 N4 O20 P4 Te -","- H26 N4 O20 P4 Te -","- H52 N8 O40 P8 Te2 -","2","0.5","PA9258","Averbuch-Pouchot, M. T.; Durif, A.","Structure of an adduct between diammonium dihydrogendiphosphate and telluric acid: 2(NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~. Erratum","Acta Crystallographica Section C","1992","48","10","1912","","10.1107/S0108270192007984","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000581","10.1291","0.0008","5.9038","0.0005","14.961","0.001","90","","103.64","0.008","90","","869.44","0.12","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 Se2 -","- H K3 O8 Se2 -","- H4 K12 O32 Se8 -","4","0.5","AB0265","Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.","Structure of ferroelastic K~3~H(SeO~4~)~2~","Acta Crystallographica Section C","1992","48","9","1569","1571","10.1107/S0108270192001379","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205833","2020-10-21","18:00:00",""
"2000582","5.5448","0.0003","5.8829","0.0003","7.7434","0.0004","90","","90","","90","","252.59","0.02","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- H I O3 -","- H I O3 -","- H4 I4 O12 -","4","1","AB0266","Ståhl, K.; Szafranski, M.","A neutron powder diffraction study of HIO~3~ and DIO~3~","Acta Crystallographica Section C","1992","48","9","1571","1574","10.1107/S0108270192001094","","neutron","1.47","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000583","5.5408","0.0004","5.8745","0.0004","7.7356","0.0005","90","","90","","90","","251.79","0.03","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- D I O3 -","- D I O3 -","- D4 I4 O12 -","4","1","AB0266","Ståhl, K.; Szafranski, M.","A neutron powder diffraction study of HIO~3~ and DIO~3~","Acta Crystallographica Section C","1992","48","9","1571","1574","10.1107/S0108270192001094","","neutron","1.47","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000584","10.0422","0.0005","14.1044","0.0007","6.3273","0.0006","100.369","0.005","98.655","0.006","81.354","0.004","864.49","0.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- Cl H25 N5 O12 Ru S2 -","- Cl H23 N5 O12 Ru S2 -","- Cl2 H46 N10 O24 Ru2 S4 -","2","1","GR0193","John, E.; Schugar, H. J.; Potenza, J. A.","Structure of pentaamminechlororuthenium(III) bisulfate tetrahydrate","Acta Crystallographica Section C","1992","48","9","1574","1576","10.1107/S010827019200146X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000585","4.413","0.002","14.585","0.009","6.7","0.004","90","","104.3","0.04","90","","417.9","0.4","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- B5 Ba2 Li O10 -","- B5 Ba2 Li O10 -","- B10 Ba4 Li2 O20 -","2","0.5","LI0114","Huang, Q.; Lu, S.; Dai, G.; Liang, J.","A new type of borate double salt: structure of LiBa~2~B~5~O~10~","Acta Crystallographica Section C","1992","48","9","1576","1578","10.1107/S0108270191013549","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000586","6.954","0.001","17.196","0.003","15.333","0.002","90","","99.53","0.01","90","","1808.2","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Fe2 N4 O8 -","- C40 H32 Fe2 N4 O8 -","- C80 H64 Fe4 N8 O16 -","2","0.5","AL0515","Dušek, M.; Petříček, V.; Kameníček, J.; Šindelář, Z.","Structure of μ-(tetraphthalato)-bis[<i>N</i>,<i>N</i>'-ethylenebis(salicylaldiminato)iron(III)]","Acta Crystallographica Section C","1992","48","9","1579","1582","10.1107/S0108270192000982","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000587","9.536","0.004","11.221","0.002","11.613","0.001","62.55","0.01","65.81","0.02","73.05","0.02","997.8","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 Cl2 F30 P2 Pt -","- C36 Cl2 F30 P2 Pt -","- C36 Cl2 F30 P2 Pt -","1","0.5","HH0588","Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E.","A platinum chloro (fluoroaryl)phosphine complex","Acta Crystallographica Section C","1992","48","9","1582","1584","10.1107/S0108270192001008","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000588","12.683","0.004","10.374","0.002","19.229","0.004","90","","111.92","0.02","90","","2347.1","1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cu N7 O8 -","- C16 H30 Cu N7 O8 -","- C64 H120 Cu4 N28 O32 -","4","1","LI0124","Driessen, W. L.; Haanstra, W. G.; Reedijk, J.","Structure of the dinuclear copper(II) compound of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine (tped), [Cu~2~(tped)(H~2~O)~2~(NO~3~)~2~](NO~3~)~2~.2CH~3~OH","Acta Crystallographica Section C","1992","48","9","1585","1587","10.1107/S0108270192001082","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000589","14.76","0.001","12.486","0.001","8.5623","0.0007","90","","101.78","0.004","90","","1544.7","0.2","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C15 H15 Ga N2 O4 -","- C15 H18 Ga N2 O4 -","- C60 H72 Ga4 N8 O16 -","4","0.5","HH0599","Rettig, S. J.; Storr, A.; Trotter, J.","Structure of methylbis(salicylaldoximato-<i>O</i>^1^,<i>N</i>)gallium(III)","Acta Crystallographica Section C","1992","48","9","1587","1590","10.1107/S0108270192001318","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000590","7.214","0.002","19.554","0.004","10.877","0.004","90","","103.82","0.03","90","","1489.9","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl4 Cu2 O10 -","- C28 H20 Cl4 Cu2 O10 -","- C56 H40 Cl8 Cu4 O20 -","2","0.5","AS0583","Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.","Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate","Acta Crystallographica Section C","1992","48","9","1590","1594","10.1107/S010827019200129X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000591","23.365","0.003","10.688","0.001","20.542","0.002","90","","100.03","0.01","90","","5051.5","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl12 Cu2 N2 O8 -","- C40 H26 Cl12 Cu2 N2 O8 -","- C160 H104 Cl48 Cu8 N8 O32 -","4","1","AS0583","Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.","Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate","Acta Crystallographica Section C","1992","48","9","1590","1594","10.1107/S010827019200129X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000592","7.844","0.002","10.244","0.019","26.55","0.005","90","","90","","90","","2133","4","","","","","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C17 H23 Cl2 Fe O6 -","- C17 H23 Cl2 Fe O6 -","- C68 H92 Cl8 Fe4 O24 -","4","1","BR0016","Pang, L.; Hynes, R. C.; Whitehead, M. A.","Structure of the clathrate compound tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene (1/1)","Acta Crystallographica Section C","1992","48","9","1594","1597","10.1107/S0108270192001331","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","205966","2020-10-21","18:00:00",""
"2000593","7.692","0.002","11.351","0.002","16.89","0.003","90","","97.98","0.02","90","","1460.4","0.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Au Cl N4 O -","- C10 H16 Au Cl2 N4 O2 -","- C40 H64 Au4 Cl8 N16 O8 -","4","1","BR0015","Britten, J. F.; Lock, C. J. L.; Wang, Z.","Bis(4,5-dimethylimidazol-2-ylidene)gold(I) chloride hydrate: an unexpected product from the reaction of tris(4,5-dimethylimidazol-2-yl)phosphine and tetrachloroauric acid","Acta Crystallographica Section C","1992","48","9","1600","1603","10.1107/S0108270192001513","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000594","9.106","0.003","14.803","0.003","15.147","0.003","112.95","0.02","103.68","0.02","95.1","0.02","1789","0.9","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Co O9 P3 Pt -","- C14 H32 Co O9 P3 Pt -","- C42 H96 Co3 O27 P9 Pt3 -","3","1.5","HH0605","Marsh, R. E.; Schaefer, W. P.; Lyon, D. K.; Labinger, J. A.; Bercaw, J. E.","Structure of trimethylplatinum(IV) with a tripod ligand","Acta Crystallographica Section C","1992","48","9","1603","1606","10.1107/S010827019200163X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208360","2020-10-21","18:00:00",""
"2000595","14.23","0.004","19.283","0.004","14.628","0.004","90","","90","","90","","4013.9","1.8","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H26 F3 O3 S Ta -","- C18 H26 F3 O3 S Ta -","- C144 H208 F24 O24 S8 Ta8 -","8","1","HH0590","Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.","Cp,Cp*-dimethyltantalum triflate","Acta Crystallographica Section C","1992","48","9","1610","1612","10.1107/S0108270192001628","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190975","2020-10-21","18:00:00",""
"2000596","16.428","0.004","12.721","0.003","12.526","0.006","90","","114.53","0.03","90","","2381.4","1.5","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","","","","","- C28 H40 Cl Cu2 F18 N8 P3 -","- C28 H40 Cl Cu2 F18 N8 P3 -","- C56 H80 Cl2 Cu4 F36 N16 P6 -","2","0.25","PA0275","Alilou, E. H.; Giorgi, M.; Pierrot, M.; Reglier, M.","Structure of μ-chloro-bis{bis[2-(2-pyridyl)ethylamine-<i>N</i>,<i>N</i>']copper(II)} trishexafluorophosphate","Acta Crystallographica Section C","1992","48","9","1612","1614","10.1107/S0108270192001549","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000597","10.21","0.01","13.99","0.01","5.91","0.01","90","","90","","90","","844.2","1.8","","","","","","","","","","","","5","P m m n","","","","","","- C15 H25 F3 N2 O2 -","- C30 H50 F16 N4 O4 -","- C60 H100 F32 N8 O8 -","2","","HU0404","Patel, D.; Brown, D. S.; Traynor, J. R.","3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene hydrogen trifluoroacetate","Acta Crystallographica Section C","1992","48","9","1614","1616","10.1107/S0108270192001732","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000598","21.335","0.002","8.516","0.001","9.273","0.001","90","","93.645","0.001","90","","1681.4","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","CR0357","Kokila, M. K.; Nirmala, K. A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","Structure of ethyl 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate","Acta Crystallographica Section C","1992","48","9","1619","1622","10.1107/S0108270192000209","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000599","11.453","0.003","7.163","0.004","11.929","0.002","90","","111.86","0.02","90","","908.3","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","HH0568","Marsh, R. E.; Schaefer, W. P.; Kukkola, P. J.; Myers, A. G.","A chiral <i>N</i>-crontonyloxazolidinone Diels-Alder adduct","Acta Crystallographica Section C","1992","48","9","1622","1624","10.1107/S0108270192000738","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000600","14.686","0.005","7.59","0.002","23.578","0.006","90","","107.47","0.01","90","","2506.9","1.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Cl2 N3 O3 -","- C23 H33 Cl2 N3 O3 -","- C92 H132 Cl8 N12 O12 -","4","1","CR0394","Mehdi, S.; Ravikumar, K.","Crystal structure of a calcium channel antagonist: 4-(2,4-dichlorophenyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","Acta Crystallographica Section C","1992","48","9","1627","1630","10.1107/S0108270192001446","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000601","9.304","0.002","10.987","0.002","11.833","0.002","90","","109.65","0.01","90","","1139.2","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 Cl N O3 -","- C25 H34 Cl N O3 -","- C50 H68 Cl2 N2 O6 -","2","1","AL0525","Woudenberg, R. H.; Lie, T. S.; van Koningsveld, H.; Maat, L.","Structure of 5β,10α,10β-triethylthebaine hydrochloride","Acta Crystallographica Section C","1992","48","9","1630","1633","10.1107/S0108270192000994","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000602","10.946","0.004","5.817","0.002","10.551","0.004","90","","94.15","0.03","90","","670.1","0.4","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","acenaphtho[1,2-a]acenaphthylene","","- C22 H12 -","- C22 H12 -","- C44 H24 -","2","0.5","HA0107","Jones, P. G.; Bubenitschek, P.; Sheldrick, G. M.; Dyker, G.","Acenaphtho[1,2-<i>a</i>]acenaphthylene at 178 K","Acta Crystallographica Section C","1992","48","9","1633","1635","10.1107/S0108270192001458","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206334","2020-10-21","18:00:00",""
"2000603","10.482","0.003","8.084","0.001","18.081","0.004","90","","92.59","0.02","90","","1530.6","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","ST0570","Valente, E. J.; Ruggiero, G.; Eggleston, D. S.","Structure of racemic (±)-6,8-dimethyl-6,12-methano-6<i>H</i>,12<i>H</i>,13<i>H</i>-[1]benzopyran[4,3-<i>d</i>][1,3]benzodioxocin-13-one","Acta Crystallographica Section C","1992","48","9","1635","1637","10.1107/S0108270192001471","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000604","18.055","0.003","15.048","0.003","17.173","0.003","90","","91.7","0.1","90","","4663.7","1.5","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C20 H35 N3 O6 -","- C20.5 H34 N3 O6 -","- C164 H272 N24 O48 -","8","2","GE0294","Bardi, R.; Piazzesi, A. M.; Crisma, M.; Toniolo, C.; Sukumar, M.; Balaram, P.","Structure of <i>N</i>-<i>tert</i>-butyloxycarbonyl-α-aminoisobutyryl-<small>DL</small>-pipecolyl-α-aminoisobutyric acid methyl ester","Acta Crystallographica Section C","1992","48","9","1645","1648","10.1107/S0108270192001070","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000605","8.568","0.003","8.568","0.003","6.531","0.005","90","","90","","90","","479.4","0.4","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Cl4 F6 P Sb -","- Cl4 F6 P Sb -","- Cl8 F12 P2 Sb2 -","2","0.25","BX0585","Preut, H.; Lennhoff, D.; Minkwitz, R.","Structure of tetrachlorophosphonium hexafluoroantimonate","Acta Crystallographica Section C","1992","48","9","1648","1650","10.1107/S0108270192001173","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2000606","8.311","0.004","7.363","0.004","4.902","0.003","99.67","0.02","81.77","0.02","114.48","0.01","268.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Al H3 Na2 O14 P4 -","- Al Na2 O14 P4 -","- Al Na2 O14 P4 -","1","0.5","MU0258","Galí, S.; Cárdenas, A.; Byrappa, K.; Gopalakrishna, G. S.","Structure of aluminium disodium trihydrogenbis(diphosphate)","Acta Crystallographica Section C","1992","48","9","1650","1652","10.1107/S0108270192000611","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000607","10.41","0.01","10.63","0.02","13.63","0.02","81.8","0.1","76.6","0.1","69.8","0.1","1374","4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H45 N5 Ni S2 -","- C23 H45 N5 Ni S2 -","- C46 H90 N10 Ni2 S4 -","2","1","MU0254","Koman, M.; Jóna, E.; Ďurčanská, E.","Structural investigations of nickel(II) complexes. X. Tris(3,5-dimethylpiperidine)bis(isothiocyanato)nickel(II), [Ni(NCS)~2~(3,5-diMepip)~3~]","Acta Crystallographica Section C","1992","48","9","1652","1654","10.1107/S0108270192000635","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000608","26.499","0.013","9.037","0.006","17.419","0.007","90","","107.33","0.03","90","","3982","4","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Ni2 P2 S4 -","- C42 H42 Ni2 P2 S4 -","- C168 H168 Ni8 P8 S16 -","4","0.5","AS0501","Cao, R.; Huang, Z.; Lei, X.; Kang, B.; Hong, M.; Liu, H.","Structure of a dinuclear nickel compound, Ni~2~(PPh~3~)~2~(SC~3~H~6~S)~2~","Acta Crystallographica Section C","1992","48","9","1654","1655","10.1107/S0108270192000647","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000609","16.149","0.001","7.205","0.005","15.358","0.005","90","","115.09","0.05","90","","1618.3","1.4","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C12 H22 Cu I N4 -","- C12 H22 Cu I N4 -","- C48 H88 Cu4 I4 N16 -","4","0.5","HH0580","Bao, X.; Holt, E. M.","Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide","Acta Crystallographica Section C","1992","48","9","1655","1657","10.1107/S0108270192000684","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2000610","9.7484","0.0007","10.3086","0.0006","19.2656","0.0008","90","","90","","90","","1936","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 Sn -","- C21 H19 N O3 Sn -","- C84 H76 N4 O12 Sn4 -","4","1","AS0552","Lo, K. M.; Ng, S. W.; Wei, C.; Kumar Das, V. G.","Structure of triphenyltin glyoxalate <i>O</i>-methyloxime","Acta Crystallographica Section C","1992","48","9","1657","1658","10.1107/S0108270192000945","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000611","14.5752","0.0017","9.7304","0.0008","15.163","0.005","90","","97.454","0.015","90","","2132.3","0.8","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C13 H30 Cl3 Ir O2 P2 S -","- C15 H35 Cl3 Ir O2 P2 S -","- C60 H140 Cl12 Ir4 O8 P8 S4 -","4","1","HA0103","Blake, A. J.; Cockman, R. W.; Ebsworth, E. A. V.","Structure of [IrCl~2~(CO)(PEt~3~)~2~(SOCl)]","Acta Crystallographica Section C","1992","48","9","1658","1660","10.1107/S0108270192001240","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000612","21.077","0.005","13.296","0.003","11.525","0.002","90","","112.24","0.02","90","","2989.5","1.2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C15 H35 B2 F8 N5 O7 U -","- C16 H36 B2 F8 N5 O7 U -","- C64 H144 B8 F32 N20 O28 U4 -","4","0.5","DU0327","Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.","Structure of pentakis(<i>N</i>,<i>N</i>-dimethylformamide)dioxouranium(VI) tetrafluoroborate","Acta Crystallographica Section C","1992","48","9","1660","1661","10.1107/S0108270192001689","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2000613","9.188","0.002","19.307","0.003","15.545","0.003","90","","102.98","0.01","90","","2687.1","0.9","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 P2 Ru -","- C32 H32 P2 Ru -","- C128 H128 P8 Ru4 -","4","1","LI0120","Litster, S. A.; Redhouse, A. D.; Simpson, S. J.","Structure of [1,3-bis(diphenylphosphino)propane](η^5^-cyclopentadienyl)hydridoruthenium(II)","Acta Crystallographica Section C","1992","48","9","1661","1663","10.1107/S010827019200132X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000614","7.398","0.001","11.439","0.002","10.727","0.002","90","","106.42","0.01","90","","870.8","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C34 H56 Cl2 N4 Rh2 -","2","1","SE0084","Flörke, U.; Ortmann, U.; Haupt, H.-J.","Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)","Acta Crystallographica Section C","1992","48","9","1663","1665","10.1107/S0108270191015111","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000615","7.231","0.001","15.87","0.003","15.918","0.003","90","","100.4","0.01","90","","1796.7","0.5","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C17 H28 Cl N2 O Rh -","- C18 H26 Cl N2 O Rh -","- C72 H104 Cl4 N8 O4 Rh4 -","4","1","SE0084","Flörke, U.; Ortmann, U.; Haupt, H.-J.","Rhodium(I)-cyclooctadiene (cod) complexes with the <i>N</i>-donor ligands 1,8-diazabicyclo[5.4.0]undec-7-ene (dbu) and 1,5-diazabicyclo[4.3.0]non-5-ene (dbn)","Acta Crystallographica Section C","1992","48","9","1663","1665","10.1107/S0108270191015111","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000616","9.272","0.002","13.031","0.003","15.24","0.003","80.04","0.03","79.15","0.03","73.46","0.03","1719.6","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Cl6 O7 U2 -","- C20 H40 Cl6 O7 U2 -","- C40 H80 Cl12 O14 U4 -","2","1","HH0562","Noltemeyer, M.; Gilje, J. W.; Roesky, H. W.","Structure of chlorodioxotetrakis(tetrahydrofuran)uranium(VI) pentachloro(tetrahydrofuran)uranate(IV)","Acta Crystallographica Section C","1992","48","9","1665","1666","10.1107/S0108270192001896","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000617","13.2099","0.0009","12.1272","0.0012","21.847","0.002","90","","107.4","0.006","90","","3339.7","0.5","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Co F12 N4 Na O16 S4 -","- C13 H32 Co F12 N4 Na O16 S4 -","- C52 H128 Co4 F48 N16 Na4 O64 S16 -","4","1","ST0558","Rawji, G. H.; Lynch, V. M.","Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III) aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate","Acta Crystallographica Section C","1992","48","9","1667","1669","10.1107/S0108270192001574","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000618","12.8896","0.0005","12.8896","0.0005","19.1855","0.0007","90","","90","","120","","2760.47","0.18","","","","","","","","","","","","4","R -3 :H","-R 3","148","","tris(phenylseleno)phosphine","","- C18 H15 P Se3 -","- C18 H15 P Se3 -","- C108 H90 P6 Se18 -","6","0.333333","HH0566","Keder, N. L.; Shibao, R. K.; Eckert, H.","Structure of tris(phenylseleno)phosphine","Acta Crystallographica Section C","1992","48","9","1670","1671","10.1107/S010827019101497X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000619","7.322","0.001","10.029","0.001","7.155","0.001","89.96","0.01","99.72","0.01","95.14","0.01","515.73","0.11","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N4 O3 -","- C9 H12 N4 O3 -","- C18 H24 N8 O6 -","2","1","PA0265","Gimeno, B.; Soto, L.; Sancho, A.; Dahan, F.; Legros, J.-P.","Structure of 3,3-bis(2-imidazolyl)propionic acid monohydrate","Acta Crystallographica Section C","1992","48","9","1671","1673","10.1107/S0108270191015068","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000620","12.62","0.003","15.719","0.005","9.945","0.002","90","","90.14","0.02","90","","1972.8","0.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C8 H24 Cl6 N2 Te -","- C8 H24 Cl6 N2 Te -","- C32 H96 Cl24 N8 Te4 -","4","1","AS0574","Ishida, H.; Kashino, S.","Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)","Acta Crystallographica Section C","1992","48","9","1673","1675","10.1107/S0108270191015147","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000621","9.182","0.011","9.774","0.009","11.784","0.01","107.27","0.07","100.16","0.08","98.05","0.09","973","1.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Ge2 N6 Si2 -","- C32 H58 Ge2 N6 Si2 -","- C32 H58 Ge2 N6 Si2 -","1","0.5","KA0016","Preut, H.; Klein, B.; Neumann, W. P.","1,3,7,9-Tetra-<i>tert</i>-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane","Acta Crystallographica Section C","1992","48","9","1675","1677","10.1107/S0108270192000453","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000622","9.762","0.004","10.689","0.005","8.387","0.003","96.97","0.04","102.26","0.03","76.74","0.04","830","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H11 Cl N2 O4 S -","- C17 H11 Cl N2 O4 S -","- C34 H22 Cl2 N4 O8 S2 -","2","1","ST0564","Muir, J. A.; Cox, O.; Bernard, L. A.; Muir, M. M.","Structure of a twisted styrylbenzothiazole, 2-(α-acetoxy-2-chloro-5-nitrostyryl)benzothiazole","Acta Crystallographica Section C","1992","48","9","1677","1679","10.1107/S010827019200043X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000623","10.646","0.001","10.646","0.001","5.752","0.002","90","","90","","90","","651.9","0.2","","","","","","","","","","","","4","P 41","P 41","","","","","- C3 H5 N3 O5 -","- C3 H5 N3 O5 -","- C12 H20 N12 O20 -","4","1","HH0586","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structure of 3-nitrato-1-nitroazetidine","Acta Crystallographica Section C","1992","48","9","1679","1680","10.1107/S0108270192000696","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000624","6.301","0.001","7.858","0.001","8.736","0.001","85.88","0.01","84.62","0.01","85.13","0.01","428.2","0.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 N4 O8 -","- C4 H4 N4 O8 -","- C8 H8 N8 O16 -","2","1","HH0587","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structure of 1,1,3,3-tetranitrocyclobutane","Acta Crystallographica Section C","1992","48","9","1680","1681","10.1107/S0108270192000702","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000625","8.67","0.001","17.149","0.001","9.224","0.001","90","","95.88","0.01","90","","1364.2","0.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C20 H36 O5 S5 -","- C20 H36 O5 S5 -","- C40 H72 O10 S10 -","2","1","GE0300","Divjaković, V.; Miljković, D.; Lajšić, S.; Klement, U.","Structure of 4,5-di-<i>O</i>-acetyl-6-<i>S</i>-acetyl-2,3-di-<i>S</i>-ethyl-2,3,6-trithio-<small>D</small>-allose diethyl dithioacetal","Acta Crystallographica Section C","1992","48","9","1685","1686","10.1107/S0108270192000775","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000626","16.8","0.002","20.071","0.002","9.429","0.001","90","","90","","90","","3179.4","0.6","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","BR0013","Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C.","Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","Acta Crystallographica Section C","1992","48","9","1687","1689","10.1107/S0108270192001197","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000627","7.598","0.003","25.635","0.002","5.774","0.003","90","","90","","90","","1124.6","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O S2 -","- C11 H14 O S2 -","- C44 H56 O4 S8 -","4","1","LI0121","Barkley, J.; Harding, M. M.; Kariuki, B. M.; Namwindwa, E. S.; Page, P. C. B.","<i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide","Acta Crystallographica Section C","1992","48","9","1689","1690","10.1107/S0108270192000878","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000628","8.633","0.001","9.966","0.002","13.317","0.004","92.01","0.02","102.9","0.02","106.25","0.01","1066.4","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N O4 P -","- C24 H20 N O4 P -","- C48 H40 N2 O8 P2 -","2","1","CD0076","Fuquen, R. M.; Lechat, J. R.","Structure of the 1:1 complex formed by triphenylphosphine oxide and 4-nitrophenol","Acta Crystallographica Section C","1992","48","9","1690","1692","10.1107/S0108270192001227","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000629","7.6209","0.0002","9.1292","0.0003","9.6135","0.0005","90","","90","","90","","668.84","0.04","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","1","HH0600","Garcia, J. G.; Voll, R. J.; Fronczek, F. R.; Younathan, E. S.","Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol","Acta Crystallographica Section C","1992","48","9","1692","1694","10.1107/S0108270192001057","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000630","3.8036","0.0007","7.643","0.001","22.818","0.005","90","","91.36","","90","","663.2","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C32 H20 N4 O8 -","4","1","AS0549","Ng, S. W.","Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)","Acta Crystallographica Section C","1992","48","9","1694","1695","10.1107/S0108270192000957","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000631","9.496","0.001","12.508","0.002","23.317","0.004","90","","90","","90","","2769.5","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 O7 Si -","- C24 H44 O7 Si -","- C96 H176 O28 Si4 -","4","1","ST0553","Abboud, K. A.; Enholm, E. J.; Trivellas, A.","Structure of a densely oxygenated carbocycle","Acta Crystallographica Section C","1992","48","9","1695","1698","10.1107/S0108270192001033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2000632","8.075","0.002","10.086","0.003","7.465","0.002","92.17","0.03","93.91","0.03","96.58","0.02","601.9","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl N O6 -","- C9 H14 Cl N O6 -","- C18 H28 Cl2 N2 O12 -","2","1","AS0581","Okabe, N.; Mori, S.","Structure of 3-methoxytyramine perchlorate","Acta Crystallographica Section C","1992","48","9","1698","1699","10.1107/S0108270192001367","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","200475","2020-10-21","18:00:00",""
"2000633","29.512","0.005","9.142","0.001","10.872","0.002","90","","92.46","0.01","90","","2930.5","0.8","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C12 H20 N6 O7 -","- C10.5 H17 N6 O6.5 -","- C84 H136 N48 O52 -","8","1","HH0607","George, C.; Gilardi, R.; Flippen-Anderson, J. L.","Structure of an acetone solvate of 7,9-diacetyl-2,5-dinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonane","Acta Crystallographica Section C","1992","48","9","1699","1701","10.1107/S0108270192000933","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000634","8.1261","0.0011","14.4215","0.0009","7.6839","0.0006","90","","103.173","0.009","90","","876.79","0.15","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl O2 -","- C9 H9 Cl O2 -","- C36 H36 Cl4 O8 -","4","1","ST0566","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone","Acta Crystallographica Section C","1992","48","9","1701","1703","10.1107/S0108270192001586","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000635","7.6079","0.0007","12.296","0.002","9.924","0.0013","90","","111.097","0.009","90","","866.1","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl O2 -","- C9 H9 Cl O2 -","- C36 H36 Cl4 O8 -","4","1","ST0566","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone","Acta Crystallographica Section C","1992","48","9","1701","1703","10.1107/S0108270192001586","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000636","9.441","0.004","10.378","0.004","20.023","0.009","90","","91.56","0.03","90","","1961.1","1.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 I N2 -","- C20 H29 I N2 -","- C80 H116 I4 N8 -","4","1","ST0569","Lynch, V. M.; Liao, Y.; Martin, S. F.; Davis, B. E.","Structure of a tricyclic subunit of manzamine A","Acta Crystallographica Section C","1992","48","9","1703","1705","10.1107/S0108270192001045","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000637","10.4097","0.0007","22.186","0.002","12.742","0.001","90","","101.51","0.01","90","","2883.6","0.4","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F6 N8 O4 P -","- C22 H29 F6 N8 O4 P -","- C88 H116 F24 N32 O16 P4 -","4","1","PA0273","Soto, L.; Garcia-Lozano, J.; Martinez, M.; Dahan, F.; Legros, J.-P.","Structure of mepirizole.H(mepirizole) hexafluorophosphate","Acta Crystallographica Section C","1992","48","9","1705","1707","10.1107/S0108270192001380","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000638","7.4783","0.0015","10.81","0.003","10.731","0.003","90","","90","","90","","867.5","0.4","150","0.1","","","","","","","","","","4","C m c m","-C 2c 2","","","","","- C5 I Mn O5 -","- C5 I Mn O5 -","- C20 I4 Mn4 O20 -","4","0.25","HA1007","Blake, A. J.; Johnson, B. F. G.; Sieker, A.","Pentacarbonyliodomanganese(I)","Acta Crystallographica Section C","1992","48","9","1708","1709","10.1107/S0108270192005559","","","0.71073","MoKα","","","0.0117","","","0.0163","","","","","0.68","0.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000639","6.462","0.001","6.278","0.001","18.72","0.003","90","","95.89","0.01","90","","755.4","0.2","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-(pentacarbonylmanganese)-mercury","","- C10 Hg Mn2 O10 -","- C10 Hg Mn2 O10 -","- C20 Hg2 Mn4 O20 -","2","0.5","NA1007","Flörke, U.; Haupt, H.-J.","A new modification of Hg[Mn(CO)~5~]~2~","Acta Crystallographica Section C","1992","48","9","1709","1710","10.1107/S010827019200581X","","","0.71073","MolybdenumKα","","","0.027","","","0.029","","","","","1.543","1.543","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000640","11.476","0.001","13.177","0.001","9.267","0.001","106.19","0.01","96.38","0.01","96","0.01","1323.9","0.2","299","","299","1","","","","","","","","4","P -1","-P 1","2","","trans-1,3-bis(diphenylphosphinoyl)cyclohexane","","- C30 H30 O2 P2 -","- C30 H30 O2 P2 -","- C60 H60 O4 P4 -","2","1","AS1010","Morooka, M.; Hashimoto, T.; Maeta, H.; Matsumoto, T.; Suzuki, K.; Ohba, S.","<i>trans</i>-1,3-Bis(diphenylphosphinoyl)cyclohexane","Acta Crystallographica Section C","1992","48","9","1710","1712","10.1107/S010827019200605X","","","0.71073","MoKα","","","0.046","","","0.037","","","","","2.787","2.787","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000641","5.236","0.001","10.246","0.002","10.884","0.002","89.368","0.004","76.092","0.003","86.412","0.004","565.67","0.19","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C30 H20 O6 -","2","1","LI1005","Seetharaman, J.; Rajan, S. S.","Structure of 6-hydroxyflavone","Acta Crystallographica Section C","1992","48","9","1714","1715","10.1107/S0108270192005456","","","1.5418","CuKα","","","0.057","","","0.056","","","","","0.783","0.783","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000642","6.532","0.004","7.387","0.006","8.743","0.007","70.23","0.06","83.25","0.06","66.32","0.05","363.5","0.5","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","1,4-Dibenzoylbenzene","","- C20 H14 O2 -","- C20 H14 O2 -","- C20 H14 O2 -","1","0.5","AL1018","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","1,4-Dibenzoylbenzene","Acta Crystallographica Section C","1992","48","9","1715","1717","10.1107/S0108270192006887","","","0.71073","MoKα","","","0.039","","","0.062","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000643","16.636","0.004","16.873","0.003","8.881","0.002","90","","90","","90","","2492.9","0.9","296","","296","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","cyclen","1,4,7,10-tetrazacyclododecane","","- C8 H26 N4 O3 -","- C8 H26 N4 O3 -","- C64 H208 N32 O24 -","8","0.5","ST1013","Reibenspies, J. H.","Structure of 1,4,7,10-tetraazacyclododecane trihydrate","Acta Crystallographica Section C","1992","48","9","1717","1718","10.1107/S0108270192006723","","","0.71073","MoKα","","0.0715","0.052","","0.0622","0.0586","","","","1.302","1.452","1.452","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000644","13.452","0.002","7.952","0.001","15.671","0.001","90","","106.97","0.01","90","","1603.3","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzenesulfonyl-3-acetoxy-1,3-dihydroindole-2-one","","- C17 H15 N O5 S -","- C17 H15 N O5 S -","- C68 H60 N4 O20 S4 -","4","1","ST1011","Grossie, D. A.; Ketcha, D. M.","1-Benzenesulfonyl-3-methyl-2-oxo-2,3-dihydroindol-3-yl acetate","Acta Crystallographica Section C","1992","48","9","1718","1720","10.1107/S0108270192006334","","","0.71069","MoKα","","0.052","0.041","","0.052","0.04","","","","1.179","1.015","1.015","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000645","6.548","0.002","9.685","0.002","21.282","0.008","90","","90","","90","","1349.6","0.7","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2α, 3α,-7α, 13α-diépoxyhimachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1001","Chiaroni, A.; Riche, C.; Benharref, A.; Chekroun, A.; Lavergne, J.-P.","Structure du 2α,3α,7α,13α-diépoxyhimachalane","Acta Crystallographica Section C","1992","48","9","1720","1722","10.1107/S0108270192005316","","","1.5418","CuKα","","","0.054","","","0.071","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000646","14.932","0.003","14.85","0.002","7.173","0.002","90","","90","","90","","1590.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Chloro-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 Cl O6 -","- C16 H17 Cl O6 -","- C64 H68 Cl4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","0.7093","Mo-Kα~1~","","","0.0318","","","0.0407","","","","","0.4548","0.4548","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000647","15.054","0.003","14.924","0.002","7.207","0.002","90","","90","","90","","1619.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Bromo-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 Br O6 -","- C16 H17 Br O6 -","- C64 H68 Br4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","1.54056","Cu-Kα~1~","","","0.0431","","","0.0558","","","","","0.7118","0.7118","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000648","29.018","0.003","8.53","0.001","11.762","0.001","90","","90","","90","","2911.4","0.5","293","2","293","2","","","","","","","","4","P b c a","","","","1-Indanone-2-spiro-4'-N-phenylpiperidine","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","KA1005","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P.","Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one","Acta Crystallographica Section C","1992","48","9","1727","1730","10.1107/S0108270192005328","","","1.54178","X-rayCuK-αmean","","","0.0395","","","0.0566","","","","","0.8064","0.8064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000649","13.737","0.002","6.9879","0.0005","15.124","0.005","90","","94.37","0.01","90","","1447.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cis,anti,cis-4b,5,6,6a,10b,10c-hexahydro-4b-hydroxybenzo[3,4]cyclobuta- [1,2a]biphenylene-4-carboxaldehyde","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","KA1010","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, M. A.; Caubère, P.","Structure and conformation of <i>cis</i>,<i>anti</i>,<i>cis</i>-4b,4c,8b,9,10,10a-hexahydro-4b-hydroxybenzo[3,4]cyclobuta[1,2-<i>a</i>]biphenylene-4-carbaldehyde","Acta Crystallographica Section C","1992","48","9","1730","1733","10.1107/S0108270192005420","","","1.54178","CuKα~1~","","","0.0453","","","0.0468","","","","","0.7321","0.7321","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000650","13.474","0.002","12.54","0.001","7.632","0.001","101.78","0.01","95.02","0.01","87.14","0.01","1256.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-9a-Methoxy-1,2,3,4,4a,9a,-hexahydrofluoren-9-one oxime","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","KA1012","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, P.","Structure and conformation of <i>cis</i>-9a-methoxy-1,2,3,4,4a,9a-hexahydrofluoren-9-one oxime","Acta Crystallographica Section C","1992","48","9","1734","1737","10.1107/S0108270192005912","","","1.54056","CuKα~1~","","","0.0846","","","0.0976","","","","","2.6728","2.6728","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000651","9.279","0.001","14.035","0.001","9.123","0.001","90","","117.37","0.01","90","","1055.1","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","meropenem","(1R,5S,6S)-2-[(3S,5S)-5-Dimethylaminocarbonylpyrrolidin-3-ylthio]- 6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate trihydrate","","- C17 H31 N3 O8 S -","- C17 H31 N3 O8 S -","- C34 H62 N6 O16 S2 -","2","1","AS1005","Yanagi, K.; Takeuchi, Y.; Sunagawa, M.","Structure of a novel carbapenem antibiotic, meropenem","Acta Crystallographica Section C","1992","48","9","1737","1739","10.1107/S0108270192004608","","","1.5418","CuKα","","0.036","0.034","","","0.046","","","","","1.82","1.82","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000652","8.3806","0.0004","8.3806","0.0004","8.3806","0.0004","65.527","0.003","65.527","0.003","65.527","0.003","535.72","0.05","","","","","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- Al2 H6 O12 Se3 -","- Al2 O12 Se3 -","- Al4 O24 Se6 -","2","0.333333","CR0386","Harrison, W. T. A.; Stucky, G. D.; Morris, R. E.; Cheetham, A. K.","Synthesis and structure of aluminium selenite trihydrate, Al~2~(SeO~3~)~3~.3H~2~O","Acta Crystallographica Section C","1992","48","8","1365","1367","10.1107/S0108270192000015","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2000653","9.501","0.001","7.14","0.001","13.47","0.002","90","","94.27","0.01","90","","911.2","0.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 N2 O3 S2 Sr -","- C2 H6 N2 O3 S2 Sr -","- C8 H24 N8 O12 S8 Sr4 -","4","1","SE0079","Mereiter, K.; Preisinger, A.","Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K","Acta Crystallographica Section C","1992","48","8","1367","1370","10.1107/S0108270191015081","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000654","9.452","0.002","7.103","0.002","13.373","0.003","90","","94.51","0.02","90","","895.1","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 N2 O6 S2 Sr -","- C2 H6 N2 O3 S2 Sr -","- C8 H24 N8 O12 S8 Sr4 -","4","1","SE0079","Mereiter, K.; Preisinger, A.","Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K","Acta Crystallographica Section C","1992","48","8","1367","1370","10.1107/S0108270191015081","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000655","7.596","0.002","7.596","0.002","8.027","0.003","90","","90","","90","","463.2","0.2","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","","","","","- Cl4 Cu H4 O2 Rb2 -","- Cl4 Cu H4 O2 Rb2 -","- Cl8 Cu2 H8 O4 Rb4 -","2","0.125","AS0559","Waizumi, K.; Masuda, H.; Ohtaki, H.; Burkov, K. A.; Chernykh, L.","Structure of 2RbCl.CuCl~2~.2H~2~O","Acta Crystallographica Section C","1992","48","8","1374","1376","10.1107/S0108270192000180","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000656","3.8268","0.0002","14.3142","0.0006","6.1724","0.0004","90","","90","","90","","338.11","0.03","","","","","","","","","","","","3","C m c m","-C 2c 2","","","","","- Bi2 O5 Sr2 -","- Bi2 O6 Sr2 -","- Bi4 O12 Sr4 -","2","0.125","MU0273","Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.","Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction data","Acta Crystallographica Section C","1992","48","8","1380","1382","10.1107/S0108270192000581","","neutron","2.57171","neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000657","10","0.002","14.202","0.002","7.421","0.001","90","","90","","90","","1053.9","0.3","","","","","","","","","","","","4","C 2 2 21","C 2c 2","","","","","- B3 Cl O9 Sr5 -","- B3 Cl O9 Sr5 -","- B12 Cl4 O36 Sr20 -","4","0.5","HH0561","Alekel, T.; Keszler, D. A.","Structure of Sr~5~(BO~3~)~3~Cl","Acta Crystallographica Section C","1992","48","8","1382","1386","10.1107/S0108270192000507","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000658","28.865","0.01","13.787","0.007","14.733","0.004","90","","104.67","0.02","90","","5671.86","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C15 H8 Fe4 O12 Te4 -","- C15 Fe4 O12 Te4 -","- C120 Fe32 O96 Te32 -","8","1","AL0505","Das, K.; Sinha, U. C.; Mathur, P.","Structure of a Te-methylene-Te bridged double-butterfly complex","Acta Crystallographica Section C","1992","48","8","1386","1389","10.1107/S0108270191014488","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000659","28.865","0.01","13.787","0.007","14.733","0.004","90","","104.67","0.02","90","","5671.86","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C15 H8 Fe4 O12 Te4 -","- C15 Fe4 O12 Te4 -","- C120 Fe32 O96 Te32 -","8","1","AL0505","Das, K.; Sinha, U. C.; Mathur, P.","Structure of a Te-methylene-Te bridged double-butterfly complex","Acta Crystallographica Section C","1992","48","8","1386","1389","10.1107/S0108270191014488","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000660","9.217","0.001","9.998","0.001","7.365","0.001","90","","117.07","0.01","90","","604.35","0.13","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C4 H4 Na O4 -","- C4 H6 Na O4 -","- C16 H24 Na4 O16 -","4","0.5","AB0263","Kalsbeek, N.","Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K","Acta Crystallographica Section C","1992","48","8","1389","1394","10.1107/S0108270191014865","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000661","8.844","0.002","10.284","0.003","7.349","0.002","90","","117.33","0.02","90","","593.8","0.3","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C4 H4 Na O4 -","- C4 H6 Na O4 -","- C16 H24 Na4 O16 -","4","0.5","AB0263","Kalsbeek, N.","Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K","Acta Crystallographica Section C","1992","48","8","1389","1394","10.1107/S0108270191014865","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000662","16.927","0.003","6.105","0.0006","6.3343","0.0009","90","","109.17","0.01","90","","618.28","0.16","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C4 H5 O4 Rb -","- C4 H6 O4 Rb -","- C16 H24 O16 Rb4 -","4","0.5","AB0263","Kalsbeek, N.","Structures of partially deuterated sodium hydrogen succinate at 295 and 120 K and rubidium hydrogen succinate at 120 K","Acta Crystallographica Section C","1992","48","8","1389","1394","10.1107/S0108270191014865","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000663","12.855","0.002","13.501","0.002","5.8864","0.0006","102.6","0.01","103.24","0.01","110.235","0.009","882.2","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Cd Cl O3 P -","- C6 Cd Cl O3 P -","- C24 Cd4 Cl4 O12 P4 -","4","2","HH0583","Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.","Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands","Acta Crystallographica Section C","1992","48","8","1394","1397","10.1107/S0108270191014841","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000664","9.772","0.003","15.366","0.004","20.973","0.005","90","","102.53","0.02","90","","3074.2","1.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.84 H48 Au2 Br1.16 N0.84 P2 -","- C28 H48 Au2 Br2 N2 P2 -","- C112 H192 Au8 Br8 N8 P8 -","4","1","HH0581","Schaefer, W. P.; McCleskey, T. M.; Gray, H. B.","A μ-bis(phosphino)ethane gold(I) dimer","Acta Crystallographica Section C","1992","48","8","1397","1399","10.1107/S010827019101507X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000665","9.306","0.003","16.247","0.003","8.972","0.002","104.72","0.02","96.38","0.02","80.44","0.02","1290.4","0.6","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 Cl4 Co Fe N6 O4 -","- C18 H24 Cl4 Co Fe N6 O4 -","- C36 H48 Cl8 Co2 Fe2 N12 O8 -","2","1","AS0557","Xu, D.; Lei, L.; Xu, Y.; Cheng, C.; Chen, J.","Structure of <i>trans</i>-bis[dimethylglyoximato(1-)-<i>N</i>,<i>N</i>']bis(pyridine-<i>N</i>)cobalt(III) tetrachloroferrate(III)","Acta Crystallographica Section C","1992","48","8","1399","1402","10.1107/S0108270192000088","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206341","2020-10-21","18:00:00",""
"2000666","13.489","0.0005","9.6913","0.0007","16.6847","0.0005","90","","112.365","0.003","90","","2017.06","0.18","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C12 H24 Cl2 N6 O6 Ru -","- C12 H24 Cl2 N6 O6 Ru -","- C48 H96 Cl8 N24 O24 Ru4 -","4","0.5","HE0033","Taqui Khan, M. M.; Venkatasubramanian, K.; Abdi, S. H. R.; Bhadbhade, M. M.; Tyagi, B.","Structure of tris(dimethylglyoxime)ruthenium(II) dichloride","Acta Crystallographica Section C","1992","48","8","1402","1405","10.1107/S010827019101510X","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000667","8.501","0.001","8.59","0.001","10.854","0.002","84.54","0.02","82.1","0.02","84.73","0.02","779","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu N2 O4 S -","- C12 H19 Cu N2 O4 S -","- C24 H38 Cu2 N4 O8 S2 -","2","1","LI0117","Haanstra, W. G.; Driessen, W. L.; Reedijk, J.; Wood, J. S.","Structure of <i>catena</i>-poly-[{tetrakis-μ-(acetato-<i>O</i>:<i>O</i>')-dicopper(II)}-μ-{1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane-<i>N</i>^2^,<i>N</i>^2^'}]","Acta Crystallographica Section C","1992","48","8","1405","1407","10.1107/S0108270192000362","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000668","9.802","0.002","13.288","0.002","22.686","0.003","88.69","0.01","89.29","0.02","82.4","0.02","2928","0.8","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 Fe N6 O6 P3 -","- C66 H54 Fe N6 O6 P3 -","- C132 H108 Fe2 N12 O12 P6 -","2","1","MU0279","Matt, D.; Lakkis, D.; Grandjean, D.; Balegroune, F.; Laidoudi, A.","Structure of tris(4-diphenylphosphinoyl-3-methyl-1-phenylpyrazol-5-onato-<i>O</i>,<i>O</i>')iron(III)","Acta Crystallographica Section C","1992","48","8","1408","1411","10.1107/S0108270192000374","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000669","9.3667","0.0008","13.689","0.002","23.042","0.002","90","","90","","90","","2954.5","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C30 H32 O6 P2 Ru -","- C30 H32 O6 P2 Ru -","- C120 H128 O24 P8 Ru4 -","4","1","MU0244","Blake, A. J.; Crook, J. R.; Mawby, R. J.; Reid, A. J.; Reynolds, C. D.","Structure of <i>cis</i>-dicarbonyl[2-carboxylato-1-methoxycarbonyl-2-(4-methylphenyl)vinyl]-<i>trans</i>-bis(dimethylphenylphosphine)ruthenium(II), a complex containing a bidentate vinyl ligand","Acta Crystallographica Section C","1992","48","8","1411","1414","10.1107/S010827019200057X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000670","32.017","0.009","23.557","0.007","7.933","0.003","90","","90","","90","","5983","3","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H34 N3 Nd O17 S3 -","- C18 H33 N3 Nd O17 S3 -","- C144 H264 N24 Nd8 O136 S24 -","8","1","MU0260","Starynowicz, P.","Structure of bis(4-aminobenzenesulfonato-<i>O</i>)heptaaquaneodymium 4-aminobenzenesulfonate hydrate","Acta Crystallographica Section C","1992","48","8","1414","1416","10.1107/S0108270192000593","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","191087","2020-10-21","18:00:00",""
"2000671","8.924","0.004","18.467","0.005","22.165","0.003","91.42","0.02","92.36","0.02","92.21","0.03","3646","2","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H114 B18 Li2 O3 Sc2 Si4 -","- C50 H114 B18 Li2 O3 Sc2 Si4 -","- C100 H228 B36 Li4 O6 Sc4 Si8 -","2","1","HH0559","Marsh, R. E.; Schaefer, W. P.; Bazan, G. C.; Bercaw, J. E.","A permethylcyclopentadienyl carbollide scandium complex, Sc~2~Si~4~O~3~C~50~B~18~Li~2~H~114~","Acta Crystallographica Section C","1992","48","8","1416","1419","10.1107/S0108270192000714","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206333","2020-10-21","18:00:00",""
"2000672","18.172","0.002","17.95","0.003","12.086","0.004","90","","90","","90","","3942.3","1.5","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H28 Cl3 N9 O12 Pt2 -","- C35 H31 Cl3 N9 O15 Pt2 -","- C140 H124 Cl12 N36 O60 Pt8 -","4","0.5","HH0585","Bailey, J. A.; Gray, H. B.","A μ-pyrazolyl terpyridineplatinum(II) dimer","Acta Crystallographica Section C","1992","48","8","1420","1422","10.1107/S010827019200074X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000673","7.901","0.001","10.147","0.001","11.37","0.002","90","","93.6","0.01","90","","909.8","0.2","","","","","","","","","","","","6","P 1 21 1","","","","","","- C19 H14 N O2 S2 Tc -","- C19 H14 N O2 S2 Tc -","- C38 H28 N2 O4 S4 Tc2 -","2","1","SE0080","Bandoli, G.; Mazzi, U.; Pietzsch, H.-J.; Spies, H.","Structure of (benzenethiolato)oxo[<i>N</i>-(2-sulfidophenyl)salicylideneiminato(2-)-<i>O</i>,<i>N</i>,<i>S</i>]technetium(V)","Acta Crystallographica Section C","1992","48","8","1422","1425","10.1107/S0108270191014798","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189098","2020-10-21","18:00:00",""
"2000674","7.914","0.002","30.983","0.003","6.629","0.001","90","","102.38","0.01","90","","1587.6","0.5","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- C38 H25 Fe N8 -","- C38 H25 Fe N8 -","- C76 H50 Fe2 N16 -","2","0.5","PA0263","Bravic, G.; Gaultier, J.; Chasseau, D.; Lequan, R. M.; Lequan, M.","Structure of (η^5^-cyclopentadienyl)(η^6^-1,3,5-trimethylbenzene)iron-7,7,8,8-tetracyano-<i>p</i>-quinodimethane (1/2)","Acta Crystallographica Section C","1992","48","8","1425","1428","10.1107/S0108270192000532","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000675","20.435","0.011","20.435","0.011","20.435","0.011","90","","90","","90","","8533","8","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","","","","","- C7 H11 Cl N Nd O12 -","- C7 H9 Cl1.16667 N Nd O16 -","- C168 H216 Cl28 N24 Nd24 O384 -","24","1","MU0259","Starynowicz, P.","Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate","Acta Crystallographica Section C","1992","48","8","1428","1430","10.1107/S010827019200060X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191087","2020-10-21","18:00:00",""
"2000676","9.608","0.002","10.034","0.002","7.033","0.001","94.29","0.01","96.95","0.01","64.52","0.01","607.4","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 Li4 O20 -","- C14 H28 Li4 O20 -","- C14 H28 Li4 O20 -","1","0.5","ST0556","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structure of tetralithium 1,4,5,8-naphthalenetetracarboxylate dodecahydrate","Acta Crystallographica Section C","1992","48","8","1430","1434","10.1107/S0108270192000428","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000677","14.318","0.002","16.427","0.002","16.299","0.002","90","","100.01","0.01","90","","3775.2","0.8","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu N4 -","- C22 H22 Cu N4 -","- C176 H176 Cu8 N32 -","8","2","HH0609","Cotton, F. A.; Czuchajowska-Wiesinger, J.","The structure of copper(II) 5,7,12,14-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradeca-2,4,7,9,11,14-hexaenediide","Acta Crystallographica Section C","1992","48","8","1434","1437","10.1107/S0108270192000726","","","1.54183","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000678","13.592","0.003","11.46","0.003","25.751","0.009","90","","101.08","0.02","90","","3936.3","1.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","3,5-dimethyl-1,2-tellurazole","","- C5 H7 N Te -","- C5 H7 N Te -","- C120 H168 N24 Te24 -","24","6","GE0290","De Munno, G.; Lucchesini, F.","Structure of 3,5-dimethyl-1,2-tellurazole","Acta Crystallographica Section C","1992","48","8","1437","1439","10.1107/S0108270191014907","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203714","2020-10-21","18:00:00",""
"2000679","12.529","0.001","13.068","0.001","15.815","0.001","90","","93.58","0.01","90","","2584.3","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N4 O2 -","- C28 H40 N4 O2 -","- C112 H160 N16 O8 -","4","1","AL0518","Venkatasubramanian, K.; Paul, P.; Nanda, K. K.; Adhikary, B.; Nag, K.","Structure of a tetratertiaryamino-diphenolato macrocyclic ligand","Acta Crystallographica Section C","1992","48","8","1440","1442","10.1107/S0108270191014993","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000680","10.496","0.003","17.305","0.004","7.5","0.002","90","","128.94","0.02","90","","1059.6","0.6","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C9 H18 O3 -","- C9 H18 O3 -","- C36 H72 O12 -","4","0.5","HH0569","Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.","Structure of 2,6-dihydroxy-2,6-dimethylheptan-4-one","Acta Crystallographica Section C","1992","48","8","1442","1444","10.1107/S0108270191014853","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000681","23.671","0.006","5.48","0.001","20.644","0.008","90","","123.82","0.02","90","","2224.8","1.2","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cl N2 O S -","- C10 H9 Cl N2 O S -","- C80 H72 Cl8 N16 O8 S8 -","8","1","HE0045","Beddoes, R. L.; Kearney, T.; Jackson, A.; Joule, J. A.","Structure of 5-chloro-2-methylthio-3<i>H</i>-indol-3-one 3-oxime <i>O</i>-methyl ether","Acta Crystallographica Section C","1992","48","8","1444","1446","10.1107/S0108270191015093","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000682","9.829","0.001","13.29","0.002","18.864","0.003","90","","90","","90","","2464.2","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C24 H24 N6 O4 S2 -","- C24 H24 N6 O4 S2 -","- C96 H96 N24 O16 S8 -","4","1","HH0557","Shin, W.; Kim, Joonyeong","Structure of diphenylmethyl 7β-amino-7α-methoxy-3-[(1-methyl-1<i>H</i>-tetrazol-5-ylthio)methyl]-3-cephem-4-carboxylate","Acta Crystallographica Section C","1992","48","8","1451","1453","10.1107/S0108270192000489","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000683","11.038","0.005","11.211","0.006","14.436","0.008","90","","90","","90","","1786.4","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H19 N3 O6 S -","- C16 N3 O6 S -","- C64 N12 O24 S4 -","4","1","HH0558","Shin, W.; Cho, S. W.","Structure of cefadroxil monohydrate","Acta Crystallographica Section C","1992","48","8","1454","1456","10.1107/S0108270192000490","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000684","22.04","0.005","10.295","0.004","11.827","0.003","90","","120.57","0.02","90","","2310.6","1.3","","","","","","","","","","","","5","C 1 2/m 1","","","","","","- C42 H48 Cl2 O14 S6 -","- C42 H48 Cl2 O14 S6 -","- C84 H96 Cl4 O28 S12 -","2","0.25","AB0262","Noreland, J.; Olovsson, G.; Olovsson, I.","Structure of the organic semiconducting radical cation salt tris[2,6-dimethoxy-3,7-bis(methylthio)naphthalene] diperchlorate","Acta Crystallographica Section C","1992","48","8","1459","1462","10.1107/S0108270192000027","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000685","25.01","0.002","6.144","0.001","8.169","0.001","90","","93.3","0.02","90","","1253.2","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","GE0293","Busetti, V.; Crisma, M.; Toniolo, C.","Structure of 1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid","Acta Crystallographica Section C","1992","48","8","1464","1466","10.1107/S0108270192000763","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000686","10.673","0.003","15.776","0.003","16.103","0.004","122.77","0.02","110.09","0.02","68.13","0.02","2080.5","1","","","","","","","","","","","","3","P 1","P 1","1","","","","- C67 H120 O38 -","- C68 H110 O39 -","- C68 H110 O39 -","1","1","PA0255","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Structure of the (1:1:1) complex 2<i>a</i>,2<i>b</i>,2<i>c</i>,2<i>d</i>,2<i>e</i>,2<i>f</i>,3<i>a</i>,3<i>g</i>,6<i>a</i>,6<i>b</i>,6<i>c</i>,6<i>d</i>,6<i>e</i>,6<i>f</i>,6<i>g</i>-pentadeca-<i>O</i>-methyl-β-cyclodextrin-1,7-dioxaspiro[5.5]undecane-methanol","Acta Crystallographica Section C","1992","48","8","1466","1471","10.1107/S0108270192000520","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2000687","15.809","0.004","12.207","0.002","19.772","0.005","90","","90","","90","","3815.6","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C21 H18 Cl N3 O S -","- C21 H18 Cl N3 O S -","- C168 H144 Cl8 N24 O8 S8 -","8","1","HU0407","Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.","Mesoionic compounds. 3. Structure of the hydrochloride of 5(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazolium-2-phenylaminide","Acta Crystallographica Section C","1992","48","8","1471","1474","10.1107/S0108270192000283","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000688","9.328","0.001","19.348","0.003","25.939","0.005","90","","90","","90","","4681.4","1.3","","","","","","","","","","","","3","P b c m","","","","","","- C53 H68 O5 -","- C54 H47 O5 -","- C216 H188 O20 -","4","0.5","AS0555","Armah, A. E.; Suzuki, K.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-<i>tert</i>-butylbishomooxacalix[4]arene-<i>m</i>-xylene (1:1) complex","Acta Crystallographica Section C","1992","48","8","1474","1476","10.1107/S0108270192000179","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000689","11.237","0.003","13.073","0.002","8.04","0.003","106.4","0.02","105.48","0.02","85.7","0.02","1091.9","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","trimethylsilylethyl cis-4,5-dimethyl-1-(o-nitrobenzyl)-3-oxopyrazolidine-2-carboxylate","","- C18 H27 N3 O5 Si -","- C18 H27 N3 O5 Si -","- C36 H54 N6 O10 Si2 -","2","1","HH0564","Johnson, A. T.; Keszler, D. A.; Perri, S. T.; White, J. D.","Structure of a highly substituted pyrazolidin-3-one","Acta Crystallographica Section C","1992","48","8","1476","1479","10.1107/S0108270192000519","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206333","2020-10-21","18:00:00",""
"2000690","23.866","0.011","9.571","0.005","6.686","0.003","90","","90","","90","","1527.2","1.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000691","24.104","0.012","9.774","0.005","6.463","0.003","90","","90","","90","","1522.6","1.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000692","13.096","0.006","12.653","0.006","10.696","0.005","90","","90","","90","","1772.4","1.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C80 H76 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000693","26.724","0.013","11.985","0.006","11.453","0.006","90","","99.96","0.02","90","","3613","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C160 H152 N24 O32 -","8","2","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000694","13.474","0.007","11.422","0.006","11.534","0.006","90","","97.73","0.02","90","","1759","1.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C80 H76 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000695","14.586","0.0008","14.586","0.0008","52.351","0.004","90","","90","","120","","9645.6","1.1","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Au Cl O4 Sb4 -","- C72 H60 Au Cl O6 Sb4 -","- C432 H360 Au6 Cl6 O36 Sb24 -","6","0.333333","HA0090","Jones, P. G.","Tetrakis(triphenylstibine)gold(I) perchlorate","Acta Crystallographica Section C","1992","48","8","1487","1488","10.1107/S0108270192000246","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199739","2020-10-21","18:00:00",""
"2000696","10.764","0.001","12.557","0.004","19.626","0.002","90","","90","","90","","2652.7","0.9","","","","","","","","","","","","6","P b c a","","","","","","- C12 H17 Cl N2 O Pd -","- C12 H17 Cl N2 O Pd -","- C96 H136 Cl8 N16 O8 Pd8 -","8","1","AS0592","Cho, I.; Yeo, H.; Whang, D.; Kim, K.","Structure of chloro[<i>N</i>-(3-dimethylamino-1-propyl)salicylideneaminato]palladium(II)","Acta Crystallographica Section C","1992","48","8","1488","1489","10.1107/S0108270192002543","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000697","15.67","0.02","13.54","0.02","13.24","0.02","90","","127.9","0.2","90","","2217","8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Cl10 N2 Sn -","- C8 H20 Cl10 N2 Sn -","- C32 H80 Cl40 N8 Sn4 -","4","0.5","HH0578","Kane, C. J.; Long, R.; Pettit, W. E.; Breneman, G. L.; Pettit, G. R.","Structure of bis(2-chloroethyl)ammonium hexachlorostannate","Acta Crystallographica Section C","1992","48","8","1490","1491","10.1107/S0108270191015135","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2000698","10.535","0.002","10.936","0.002","16.5","0.003","90","","90","","90","","1901","0.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br P S Sn -","- C16 H20 Br P S Sn -","- C64 H80 Br4 P4 S4 Sn4 -","4","1","AL0519","Preut, H.; Godry, B.; Mitchell, T. N.","[2-(Bromodimethylstaannyl)ethyl]diphenylphosphine sulfide","Acta Crystallographica Section C","1992","48","8","1491","1493","10.1107/S0108270191014750","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000699","21.654","0.003","10.581","0.001","16.82","0.001","90","","90","","90","","3853.8","0.7","","","","","","","","","","","","5","P n a 21","","","","","","- C44 H45 Ir O P2 -","- C44 H45 Ir O P2 -","- C176 H180 Ir4 O4 P8 -","4","1","BR0014","Janik, T. S.; Churchill, M. R.; See, R. F.; Randall, S. L.; McFarland, J. M.; Atwood, J. D.","Structure of <i>trans</i>-carbonylmethylbis(tri-<i>p</i>-tolylphosphine)iridium(I), <i>trans</i>-[Ir(CO)(CH~3~){P(<i>p</i>-C~6~H~4~CH~3~)~3~}~2~]","Acta Crystallographica Section C","1992","48","8","1493","1495","10.1107/S0108270191014890","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000700","9.029","0.004","13.265","0.004","21.426","0.011","90","","92.62","0.04","90","","2563.5","1.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C32 H25 O2 S -","- C32 H25 O2 S -","- C128 H100 O8 S4 -","4","1","LI0092","Vojtěchovský, J.; Hašek, J.","Structure of 1,1-dioxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate","Acta Crystallographica Section C","1992","48","8","1495","1497","10.1107/S0108270191014099","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2000701","10.622","0.003","11.448","0.002","12.343","0.003","96.08","0.02","69.42","0.02","67.69","0.02","1249.3","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H23.5 O S -","- C35 H22 O S -","- C70 H44 O2 S2 -","2","1","LI9092","Vojtěchovský, J.; Hašek, J.","Structure of 1-oxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate","Acta Crystallographica Section C","1992","48","8","1497","1499","10.1107/S0108270192002117","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000702","8.239","0.001","9.75","0.001","7.856","0.001","105.67","0.01","118.14","0.01","79.85","0.01","534.91","0.12","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","AL0510","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structure of a cyclopenta[<i>hi</i>]indolizine","Acta Crystallographica Section C","1992","48","8","1499","1500","10.1107/S0108270191014531","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000703","6.5675","0.0008","11.9949","0.0014","5.1052","0.0006","93.418","0.004","100.42","0.004","74.612","0.006","381.33","0.08","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C16 H24 O4 -","1","0.5","ST0550","Choubal, M. D.; Fernandez, E. J.; Crumrine, D. S.; Pavkovic, S. F.","Structure of diethyl <i>cis</i>,<i>cis</i>-3,8-cyclodecadiene-<i>trans</i>-1,6-dicarboxylate","Acta Crystallographica Section C","1992","48","8","1501","1502","10.1107/S0108270191014191","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206333","2020-10-21","18:00:00",""
"2000704","12.058","0.004","7.791","0.001","17.006","0.003","90","","91.74","0.03","90","","1596.9","0.6","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C16 H20 N O3 P -","- C16 H20 N O3 P -","- C64 H80 N4 O12 P4 -","4","1","HA0081","Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H.","Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate","Acta Crystallographica Section C","1992","48","8","1502","1504","10.1107/S0108270191014440","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","203584","2020-10-21","18:00:00",""
"2000705","13.345","0.003","7.729","0.002","10.471","0.002","90","","101.18","0.02","90","","1059.5","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 D3 O3 -","- C23 H37 D3 O3 -","- C46 H74 D6 O6 -","2","1","CR0374","McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D.","Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K","Acta Crystallographica Section C","1992","48","8","1509","1512","10.1107/S0108270192000234","","neutron","1.0508","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000706","9.123","0.003","15.727","0.003","11.916","0.003","90","","106.53","0.02","90","","1639","0.8","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","HU0403","Linden, A.","Structure of 3-benzyloxy-5-(benzyloxymethyl)-5<i>H</i>-furan-2-one","Acta Crystallographica Section C","1992","48","8","1514","1516","10.1107/S0108270192000337","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000707","8.4118","0.0002","11.9934","0.0004","7.9901","0.0004","83.493","0.003","114.946","0.003","101.598","0.003","715.59","0.05","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","CR0392","Sui, X.; Codding, P. W.","Structure of 3,4-diethylcanthine-5,6-dione","Acta Crystallographica Section C","1992","48","8","1516","1518","10.1107/S0108270192000222","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000708","24.386","0.003","10.816","0.002","9.983","0.001","90","","92.71","0.01","90","","2630.2","0.6","","","","","","","","","","","","4","P 1 21 1","","","","","","- C46 H83 N O18 -","- C46 H77 N O19 -","- C92 H154 N2 O38 -","2","1","AS0564","Nakai, H.; Matsutani, S.","Structure of concanamycin A pentahydrate","Acta Crystallographica Section C","1992","48","8","1519","1521","10.1107/S0108270191014749","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","191088","2020-10-21","18:00:00",""
"2000709","12.8198","0.0009","6.9843","0.0008","23.0717","0.0013","90","","102.981","0.005","90","","2013","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 S3 -","- C22 H17 N3 S3 -","- C88 H68 N12 S12 -","4","1","AL0516","Husebye, S.; Maartmann-Moe, K.; Mikalsen, Ø.","The structure of a trisubstituted 3<i>H</i>-1,2-dithiole","Acta Crystallographica Section C","1992","48","8","1521","1523","10.1107/S0108270191015007","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000710","10.1406","0.0005","10.1948","0.0006","18.87","0.001","90","","97.253","0.002","90","","1935.2","0.18","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 P S4 -","- C18 H15 P S4 -","- C72 H60 P4 S16 -","4","1","HH0567","Shibao, R. K.; Keder, N. L.; Eckert, H.","Structure of tris(phenylthio)phosphine sulfide","Acta Crystallographica Section C","1992","48","8","1525","1527","10.1107/S0108270191014919","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2000711","10.615","0.001","9.115","0.002","12.948","0.002","90","","108.57","0.01","90","","1187.6","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one","","- C7 H9 N7 O8 -","- C7 H9 N7 O8 -","- C28 H36 N28 O32 -","4","1","HH0573","George, C.; Gilardi, R.; Flippen-Anderson, J. L.","Structure of 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one","Acta Crystallographica Section C","1992","48","8","1527","1528","10.1107/S0108270191014956","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000712","6.151","0.002","13.484","0.007","15.165","0.009","90","","90.94","0.05","90","","1257.6","1.1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C40 H64 N16 O20 -","4","1","HH0576","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane","Acta Crystallographica Section C","1992","48","8","1528","1530","10.1107/S0108270191014944","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000713","7.801","0.001","19.885","0.003","7.077","0.001","90","","91.35","0.02","90","","1097.5","0.3","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C8 H12 N4 O5 -","- C8 H18 N4 O5 -","- C32 H72 N16 O20 -","4","1","HH0576","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane","Acta Crystallographica Section C","1992","48","8","1528","1530","10.1107/S0108270191014944","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000714","6.552","0.002","25.794","0.006","19.412","0.005","90","","90","","90","","3280.7","1.5","","","","","","","","","","","","4","P b c a","","","","","","- C11 H18 N8 O8 -","- C11 H18 N8 O8 -","- C88 H144 N64 O64 -","8","1","HH0579","Flippen-Anderson, J. L.; George, C.; Gilardi, R.","Structure of 2,4,6-trinitro-8,10-dipropionyl-2,4,6,8,10-pentaazabicyclo[5.3.0]decane","Acta Crystallographica Section C","1992","48","8","1530","1531","10.1107/S0108270191015123","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000715","8.482","0.001","11.844","0.002","11.943","0.002","90","","90","","90","","1199.8","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C32 H48 N24 O24 -","4","1","HH0606","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structure of 6,8-diacetyl-2,4-dinitro-2,4,6,8-tetraazabicyclo[3.3.0]octane","Acta Crystallographica Section C","1992","48","8","1532","1533","10.1107/S0108270191014968","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000716","10.636","0.002","12.759","0.001","18.185","0.002","90","","90","","90","","2467.8","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N2 O2 P -","- C25 H41 N2 O2 P -","- C100 H164 N8 O8 P4 -","4","1","CD0065","Bélanger-Gariépy, F.; Bennani, Y. L.; Beaudoin, S.; Hanessian, S.","Structure of a chiral bicyclic β-hydroxyphosphonamide - an asymmetric olefination intermediate, C~25~H~41~N~2~O~2~P","Acta Crystallographica Section C","1992","48","8","1533","1535","10.1107/S0108270191014671","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000717","9.101","0.003","8.612","0.006","13.79","0.005","90","","92.29","0.03","90","","1080","0.9","","","","","","","","","","","","5","P 1 21 1","","","","","","- C22 H35 N2 O2 P -","- C22 H35 N2 O2 P -","- C44 H70 N4 O4 P2 -","2","1","CD0066","Simard, M.; Beaudoin, S.; Hanessian, S.","Structure of a chiral bicyclic β-hydroxyphosphonamide - a product of kinetic resolution in an olefination reaction, C~22~H~35~N~2~O~2~P","Acta Crystallographica Section C","1992","48","8","1535","1537","10.1107/S0108270191014695","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000718","13.703","0.002","9.122","0.002","18.028","0.002","90","","107.15","0.01","90","","2153.3","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O5 -","- C27 H22 O5 -","- C108 H88 O20 -","4","1","ST0562","Prince, P.; Fronczek, F. R.; Gandour, R. D.","Methyl 8-[(2,7-dimethoxynaphthyl)ethynyl]-7-methoxy-2-naphthoate","Acta Crystallographica Section C","1992","48","8","1538","1540","10.1107/S0108270191014786","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000719","7.842","0.001","13.84","0.002","8.536","0.001","90","","100.04","0.01","90","","912.3","0.2","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","NA1003","Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.","Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i>","Acta Crystallographica Section C","1992","48","8","1543","1547","10.1107/S0108270192004268","","","1.54178","CuKα","","","0.039","","","0.053","","","","","3.4","3.4","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000720","8.035","0.001","7.208","0.001","15.887","0.003","90","","90.92","0.01","90","","920","0.2","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","NA1003","Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.","Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i>","Acta Crystallographica Section C","1992","48","8","1543","1547","10.1107/S0108270192004268","","","1.54178","CuKα","","","0.041","","","0.051","","","","","3.1","3.1","","","","","has coordinates","206330","2020-10-21","18:00:00",""
"2000721","8.465","0.002","6.062","0.001","11.901","0.002","90","","95.78","0.01","90","","607.6","0.2","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(4-methylphenyl)-1H-indene-1,3(2H)-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","AL1009","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","Structure of 2-(4-methylphenyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione","Acta Crystallographica Section C","1992","48","8","1547","1549","10.1107/S0108270192005742","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000722","8.81","0.002","9.231","0.003","9.34","0.002","84.48","0.02","75.88","0.02","66.49","0.02","675.5","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","4-methoxycarbonyl-8,9-methylenedioxy-1,2,5,6,10b-pentahydro-2- oxobenzo[d]cyclopen[b]azepine","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C32 H30 N2 O10 -","2","1","CR1010","Robinson, P. D.; Hua, D. H.; Hong, Y.; Miao, S. W.","Methyl 1,2,4,5,6,10b-hexahydro-8,9-methylenedioxy-2-oxobenzo[<i>d</i>]cyclopenta[<i>b</i>]azepine-4-carboxylate","Acta Crystallographica Section C","1992","48","8","1549","1551","10.1107/S0108270192005626","","","0.71069","MoKα","","","0.049","","","0.047","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000723","8.321","0.003","10.271","0.003","15.313","0.004","71.59","0.02","84.88","0.02","73.5","0.02","1190.6","0.7","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","Ethyl (Z)-4-(chlorodimethylstannyl)-6-hydroxy-7-oxo- 6,7-diphenyl-3-heptenoate","","- C23 H27 Cl O4 Sn -","- C23 H27 Cl O4 Sn -","- C46 H54 Cl2 O8 Sn2 -","2","1","KA1011","Preut, H.; Dornseifer, N. M.; Mitchell, T. N.","Structure of ethyl (<i>Z</i>)-4-(chlorodimethyl-stannyl)-6-hydroxy-7-oxo-6,7-diphenyl-3-heptenoate","Acta Crystallographica Section C","1992","48","8","1551","1553","10.1107/S0108270192005705","","","0.71073","MoKα","","0.0413","0.0323","","0.0435","0.0388","","","","","0.8672","0.8672","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000724","10.657","0.001","5.12","0.001","14.813","0.002","90","","109.06","0.01","90","","763.9","0.2","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H12 N2 S2 -","- C20 H12 N2 S2 -","- C40 H24 N4 S4 -","2","0.5","SE1004","Mizuguchi, J.; Rihs, G.","Structure of 5,7,12,14-tetrahydroquinolino[2,3-<i>b</i>]acridine-7,14-dithione","Acta Crystallographica Section C","1992","48","8","1553","1555","10.1107/S0108270192004475","","","1.5418","CuKα","","","0.056","","","0.066","","","","","1.48","1.48","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2000725","8.871","0.001","10.256","0.001","7.345","0.001","90","","117.27","0.01","90","","593.98","0.13","123","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 Na O4 -","- C4 H5 Na O4 -","- C16 H20 Na4 O16 -","4","0.5","MU1014","Mallinson, P. R.; Frampton, C. S.","Structure of sodium hydrogen succinate at 123 K","Acta Crystallographica Section C","1992","48","8","1555","1556","10.1107/S0108270192006310","","","0.71069","MoKα","","","0.0276","","","0.0363","","","","","2.29","2.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000726","9.288","0.001","11.301","0.002","12.737","0.002","101.1","0.01","95.39","0.01","109.46","0.01","1218.8","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H40 Se8 -","- C58 H40 Se8 -","- C58 H40 Se8 -","1","0.5","MU1012","MacNicol, D. D.; Mallinson, P. R.; Robertson, C. D.","Octakis(phenylseleno)naphthalene","Acta Crystallographica Section C","1992","48","8","1557","1558","10.1107/S0108270192006255","","","0.71069","MoKα","","","0.044","","","0.047","","","","","1.9","1.9","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000727","6.4253","0.0006","10.7241","0.0008","13.049","0.001","84.084","0.006","82.435","0.007","87.378","0.007","886.1","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","δ-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate","","- C10 H8 F6 P S8 -","- C10 H8 F6 P S8 -","- C20 H16 F12 P2 S16 -","2","1","CR1000","Bu, X.; Cisarova, I.; Coppens, P.","Structure of δ-(BEDT-TTF)PF~6~","Acta Crystallographica Section C","1992","48","8","1558","1560","10.1107/S0108270192005250","","","0.71073","MoKα","","","0.042","","","0.054","","","","","2.55","2.55","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2000728","14.744","0.001","6.676","0.002","32.151","0.003","90","","90","","90","","3164.7","1","293","","293","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] Dicyanamide","","- C22 H16 N3 S16 -","- C22 H16 N3 S16 -","- C88 H64 N12 S64 -","4","0.5","CR1001","Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.","Structure of (BEDT-TTF)~2~N(CN)~2~","Acta Crystallographica Section C","1992","48","8","1560","1561","10.1107/S0108270192005262","","","0.71073","MoKα","","","0.077","","","0.125","","","","","5.05","5.05","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2000729","14.527","0.001","10.735","0.002","5.9233","0.0006","90","","105.559","0.008","90","","889.9","0.2","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","ε-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate","","- C10 H8 F6 P S8 -","- C10 H8 F6 P S8 -","- C20 H16 F12 P2 S16 -","2","0.25","CR1002","Bu, X.; Cisarova, I.; Coppens, P.","Structure of {εpsilon}-(BEDT-TTF)PF~6~","Acta Crystallographica Section C","1992","48","8","1562","1563","10.1107/S0108270192005274","","","0.71073","MoKα","","","0.082","","","0.114","","","","","6.4","6.4","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2000730","8.293","0.001","6.703","0.001","33.02","0.008","90","","91.87","0.02","90","","1834.5","0.6","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","ζ-di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate","","- C24 H24 F6 O P S16 -","- C24 H24 F6 O2 P S16 -","- C48 H48 F12 O4 P2 S32 -","2","0.5","CR1003","Bu, X.; Cisarova, I.; Coppens, P.","Structure of ζ-(BEDT-TTF)~2~PF~6~.C~4~H~8~O~2~","Acta Crystallographica Section C","1992","48","8","1563","1565","10.1107/S0108270192005286","","","0.71073","MoKα","","","0.119","","","0.141","","","","","3.39","3.39","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2000731","8.892","0.001","15.627","0.002","17.84","0.002","66.169","0.009","79.791","0.009","85.81","0.009","2231.7","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Hg2 I14 S32 -","- C40 H32 Hg2 I14 S32 -","- C40 H32 Hg2 I14 S32 -","1","0.5","CR1004","Bu, X.; Coppens, P.","Structure of (BEDT-TTF)~4~Hg~2~I~6~(I~8~)","Acta Crystallographica Section C","1992","48","8","1565","1566","10.1107/S0108270192005298","","","0.71073","MoKα","","","0.07","","","0.089","","","","","3.77","3.77","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2000732","9.181","0.003","14.841","0.006","11.598","0.004","90","","113.3","0.02","90","","1451.4","0.9","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H34 Cl2 P2 Ru -","- C32 H34 Cl2 P2 Ru -","- C64 H68 Cl4 P4 Ru2 -","2","1","HA1005","Blake, A. J.; Easton, T.; Stephenson, T. A.","<i>cis</i>-Dichlorobis(1-butenyldiphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1992","48","8","1567","1568","10.1107/S0108270192004955","","","0.71073","MoKα","","","0.0583","","","0.0704","","","","","1.29","1.29","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000733","12.262","0.003","4.121","0.003","14.713","0.002","90","","90","","90","","743.5","0.6","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba S4 Sm2 -","- Ba S4 Sm2 -","- Ba4 S16 Sm8 -","4","0.5","ST0546","Carpenter, J. D.; Hwu, S.-J.","Single-crystal structure of BaSm~2~S~4~","Acta Crystallographica Section C","1992","48","7","1164","1167","10.1107/S010827019101418X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000735","5.598","0.002","15.292","0.009","5.532","0.002","90","","90","","90","","473.6","0.4","","","","","","","","","","","","3","A b a 2","A 2 -2ab","","","","","- Bi2 O5.5 V -","- Bi2 O6 V -","- Bi8 O24 V4 -","4","","DU0318","Touboul, M.; Lokaj, J.; Tessier, L.; Kettman, V.; Vrabel, V.","Structure of dibismuth vanadate Bi~2~VO~5.5~","Acta Crystallographica Section C","1992","48","7","1176","1179","10.1107/S010827019101421X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000736","6.51","0.001","6.51","0.001","6.51","0.001","89.47","0.02","89.47","0.02","89.47","0.02","275.86","0.07","","","","","","","","","","","","3","R -3","-P 3*","","","","","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn -","- Mo6 S8 Sn -","1","","CR0368","Le Lay, L.; Powell, D. R.; Willis, T. C.","Structure of Sn~0.854~Mo~6~S~8~","Acta Crystallographica Section C","1992","48","7","1179","1182","10.1107/S0108270191014609","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2000737","7.139","0.006","19.008","0.009","8.469","0.009","90","","90","","90","","1149.2","1.6","","","","","","","","","","","","4","P c 21 b","P -2bc -2c","","","","","- H La O6 Se2 -","- La O6 Se2 -","- La8 O48 Se16 -","8","2","CR0356","Morris, R.; Harrison, W. T. A.; Stucky, G. D.; Cheetham, A. K.","The synthesis and crystal structure of LaHSe~2~O~6~, a layered anhydrous selenite","Acta Crystallographica Section C","1992","48","7","1182","1185","10.1107/S0108270191014300","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000738","9.536","0.002","11.095","0.004","9.291","0.002","106.58","0.02","100.42","0.02","113.01","0.02","818.2","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Al Br3 H18 O18 -","- Al Br3 H18 O18 -","- Al2 Br6 H36 O36 -","2","1","CR0351","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.","The structure of hexaaquaaluminium(III) bromate trihydrate, [Al(H~2~O)~6~](BrO~3~)~3~.3H~2~O","Acta Crystallographica Section C","1992","48","7","1185","1188","10.1107/S0108270191014804","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000739","9.227","0.003","10.599","0.003","11.089","0.002","74.01","0.02","67.36","0.02","77.02","0.02","953.5","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Cl6 O22 Th2 -","- C12 H54 Cl6 O22 Th2 -","- C12 H54 Cl6 O22 Th2 -","1","0.5","CD0073","Rogers, R. D.; Bond, A. H.","Structure of [ThCl(OH)(OH~2~)~6~]~2~Cl~4~.18-crown-6.2H~2~O","Acta Crystallographica Section C","1992","48","7","1199","1201","10.1107/S0108270191014142","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000740","10.447","0.0006","13.947","0.002","11.296","0.003","90","","106.1","0.01","90","","1581.3","0.5","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cl2 K N2 O8 Ru -","- C10 H15 Cl2 K N2 O9 Ru -","- C40 H60 Cl8 K4 N8 O36 Ru4 -","4","1","HA0077","Taqui Khan, M. M.; Bhadbhade, M. M.; Venkatasubramanian, K.; Siddiqui, M. R. H.","Structure of potassium dichloro(ethylenediaminetetraacetato)ruthenate(III)","Acta Crystallographica Section C","1992","48","7","1202","1204","10.1107/S0108270191013999","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000741","9.11","0.004","22.472","0.009","21.01","0.01","90","","95.28","0.04","90","","4283","3","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl2 Co7 N O21 Si -","- C29 H20 Cl2 Co7 N O21 Si -","- C116 H80 Cl8 Co28 N4 O84 Si4 -","4","1","LI0098","Barris, G. C.; Mackay, K. M.; Nicholson, B. K.","Structure of tetraethylammonium nonacarbonyl-μ~3~-{[dichloro(undecacarbonylcobaltio)silyl]oxymethylidyne}-tricobaltate, [Et~4~N][Cl~2~SiCo~7~(CO)~21~]","Acta Crystallographica Section C","1992","48","7","1204","1207","10.1107/S0108270191013641","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000742","5.379","0.004","11.074","0.009","19.582","0.017","90","","90","","90","","1166.4","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H18 N2 O6 V2 -","- C6 H18 N2 O6 V2 -","- C24 H72 N8 O24 V8 -","4","0.5","AB0238","Tyršelová, J.; Pavelčík, F.","Structure of 1,6-hexanediammonium metavanadate","Acta Crystallographica Section C","1992","48","7","1207","1209","10.1107/S0108270191014269","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000743","11.258","0.003","13.586","0.003","13.969","0.003","108.77","0.02","101.69","0.02","112.07","0.01","1742.6","0.9","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H21 Au F15 O P -","- C35 H21 Au F15 O P -","- C70 H42 Au2 F30 O2 P2 -","2","1","HA0089","Jones, P. G.","[(Methyldiphenylphosphonio)methanide]tris(pentafluorophenyl)gold(III) acetone solvate","Acta Crystallographica Section C","1992","48","7","1209","1211","10.1107/S0108270191013914","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000744","8.53","0.002","11.928","0.001","12.118","0.003","90","","103.67","0.02","90","","1198","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H38 Cl2 Co N2 O12 -","- C10 H38 Cl2 Co N2 O12 -","- C20 H76 Cl4 Co2 N4 O24 -","2","0.5","AS0565","Chen, X.-M.; Mak, T. C. W.","Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section C","1992","48","7","1211","1214","10.1107/S0108270191014373","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000745","8.014","0.004","13.66","0.007","18.023","0.007","90","","90","","90","","1973","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Co N4 S2 -","- C17 H26 Co N4 S2 -","- C68 H104 Co4 N16 S8 -","4","1","HA0093","Jupp, K. M.; Raithby, P. R.","Structure of dithiocyanato[({-})-spartein]cobalt(II)","Acta Crystallographica Section C","1992","48","7","1214","1216","10.1107/S0108270191014439","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000746","8.794","0.003","20.333","0.007","4.247","0.002","90","","90","","90","","759.4","0.5","","","","","","","","","","","","5","P m n n","-P 2n 2","58","","","","- C10 H4 Ag N2 S8 -","- C10 H4 Ag N2 S8 -","- C20 H8 Ag2 N4 S16 -","2","0.25","ST0531","Morosin, B.; Nigrey, P. J.","Structure of bis(methylenedithio)tetrathiafulvalene dicyanoargentate(I)","Acta Crystallographica Section C","1992","48","7","1216","1218","10.1107/S0108270191014282","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2000747","7.538","0.001","7.416","0.003","30.803","0.004","90","","90","","90","","1722","1","","","","","","","","","","","","5","A e m a","-A 2ab 2ab","64","","","","- C8 H24 Cd Cl4 N2 -","- C8 Cd Cl4 N2 -","- C32 Cd4 Cl16 N8 -","4","0.25","MU0240","Doudin, B.; Chapuis, G.","Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)","Acta Crystallographica Section C","1992","48","7","1218","1220","10.1107/S010827019101452X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208233","2020-10-21","18:00:00",""
"2000748","7.538","0.001","7.416","0.003","30.803","0.004","90","","90","","90","","1722","1","","","","","","","","","","","","5","A e m a","-A 2ab 2ab","64","","","","- C8 H24 Cd Cl4 N2 -","- C16 Cd Cl4 N4 -","- C64 Cd4 Cl16 N16 -","4","0.25","MU0240","Doudin, B.; Chapuis, G.","Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)","Acta Crystallographica Section C","1992","48","7","1218","1220","10.1107/S010827019101452X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208233","2020-10-21","18:00:00",""
"2000749","10.081","0.004","13.339","0.004","15.083","0.003","85.24","0.04","82.673","0.005","67.37","0.04","1855.5","1.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H57 Cl U -","- C45 H57 Cl U -","- C90 H114 Cl2 U2 -","2","1","AB0235","Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.","Structure of chlorotris(1,2,4,5,6,7-hexamethylindenyl)uranium(IV)","Acta Crystallographica Section C","1992","48","7","1221","1223","10.1107/S0108270191014592","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000750","21.37","0.02","22.04","0.01","8.66","0.01","90","","90","","90","","4079","6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Ba2 N10 O28 P2 -","- C20 H44 Ba2 N10 O28 P2 -","- C80 H176 Ba8 N40 O112 P8 -","4","1","SE0083","Churchill, M. E. A.; Pritchard, R. G.; Helliwell, M.","Structure of barium guanosine 5'-monophosphate","Acta Crystallographica Section C","1992","48","7","1223","1227","10.1107/S0108270192001136","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000752","12.413","0.003","14.645","0.003","12.287","0.002","90","","90","","90","","2233.6","0.8","","","","","","","","","","","","6","P b c n","","","","","","- C20 H16 Cl2 Cu N4 O8 -","- C20 H16 Cl2 Cu N4 O8 -","- C80 H64 Cl8 Cu4 N16 O32 -","4","0.5","AS0546","Chen, C.; Xu, D.; Xu, Y.; Cheng, C.; Ling, R.","Structure of <i>catena</i>-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-μ-4,4'-bipyridyl]","Acta Crystallographica Section C","1992","48","7","1231","1233","10.1107/S0108270191014361","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000753","6.7","0.001","20.911","0.009","9.609","0.002","90","","104.24","0.02","90","","1304.9","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C16 H36 F12 N2 O4 P2 -","- C16 H36 F28 N2 O4 P2 -","- C32 H72 F56 N4 O8 P4 -","2","0.5","GE0275","Suwińska, K.","Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions","Acta Crystallographica Section C","1992","48","7","1234","1237","10.1107/S0108270191013690","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000754","6.482","0.001","16.932","0.002","10.871","0.001","90","","106.63","0.02","90","","1143.2","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 I2 N2 O4 -","- C16 H36 I2 N2 O4 -","- C32 H72 I4 N4 O8 -","2","0.5","GE0275","Suwińska, K.","Structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiazonia-18-crown-6 with PF^{-^}~6~ and I^{-^} as the counterions","Acta Crystallographica Section C","1992","48","7","1234","1237","10.1107/S0108270191013690","","","0.71078","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000755","13.602","0.001","14.477","0.002","6.969","0.001","90","","90","","90","","1372.3","0.3","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C48 H32 N32 O16 -","8","1","AS0556","Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A.","Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide","Acta Crystallographica Section C","1992","48","7","1237","1239","10.1107/S0108270191013781","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","205890","2020-10-21","18:00:00",""
"2000756","9.385","0.004","12.314","0.004","18.573","0.006","90","","90","","90","","2146.4","1.3","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","N-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","HE0036","Mostafa, G.; Mukherjee, M.; Ray, S.","Structure of <i>N</i>-benzyl-3-benzylidene-4-methyl-4-nitro-5-phenyl-2-pyrrolidinone","Acta Crystallographica Section C","1992","48","7","1241","1243","10.1107/S0108270191013975","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","206332","2020-10-21","18:00:00",""
"2000757","7.961","0.005","11.863","0.006","24.873","0.008","90","","92.29","0.01","90","","2347","2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","PA0228","Warin, V.; Lamiot, J.; Baert, F.; Ait Mansour, H.; Houssin, R.; Lesieur, D.","Structure of 6-benzyl-5-(3,4-dimethoxybenzyl)-3-methyl-5,6,7,8-tetrahydro-3<i>H</i>-oxazolo[5,4-<i>g</i>]isoquinolin-2-one","Acta Crystallographica Section C","1992","48","7","1243","1246","10.1107/S0108270191013720","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000758","16.454","0.003","17.353","0.003","17.674","0.001","90","","90","","90","","5046.4","1.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C25 H27 N5 Si -","- C25 H27 N5 Si -","- C200 H216 N40 Si8 -","8","1","HA0095","Whitby, R. J.; Webster, M.; Dennehy, R. D.","Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene","Acta Crystallographica Section C","1992","48","7","1252","1253","10.1107/S0108270191014464","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000759","11.2191","0.0004","15.9824","0.0005","17.7311","0.0007","90","","90","","90","","3179.3","0.2","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- C32 H46 N4 O8 -","- C32 H48 N4 O8 -","- C128 H192 N16 O32 -","4","0.5","GE0295","Kanters, J. A.; Schouten, A.; Kroon, J.; Grech, E.","Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate at 100 K","Acta Crystallographica Section C","1992","48","7","1254","1257","10.1107/S0108270191014348","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000760","8.63","0.001","9.908","0.004","13.549","0.016","107.73","0.03","94.96","0.05","112.51","0.03","991.9","1.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C52 H38 N2 O6 -","2","1","HA0079","Hursthouse, M. B.; Karaulov, A. I.; Ciechanowicz-Rutkowska, M.; Kolasa, A.; Zankowska-Jasińska, W.","Structure of 3-benzoyl-4-methyl-1-phenyl-1,2,3,4-tetrahydro-5<i>H</i>-indeno[1,2-<i>b</i>]pyridine-2,5-dione","Acta Crystallographica Section C","1992","48","7","1257","1260","10.1107/S0108270191014476","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000761","6.756","0.002","13.012","0.004","10.931","0.004","90","","91.5","0.02","90","","960.6","0.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 B2 Br N4 -","- C6 H8 B2 Br N4 -","- C24 H32 B8 Br4 N16 -","4","1","CR0390","Hodgkins, T. G.; Powell, D. R.","Structure of 4-bromopyrazabole","Acta Crystallographica Section C","1992","48","7","1260","1262","10.1107/S0108270191013872","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000762","12.456","0.002","6.735","0.004","16.135","0.003","90","","92.17","0.01","90","","1352.6","0.9","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","GE0291","Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C.","Structure of 1-morpholinoanthraquinone at 110 K","Acta Crystallographica Section C","1992","48","7","1262","1265","10.1107/S0108270191014336","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000763","11.782","0.002","9.058","0.002","9.766","0.002","90","","109.3","0.01","90","","983.7","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","- C28 H56 N4 O16 S4 -","2","0.5","BX0561","Paulus, E. F.; Porz, C.","Structure of <i>meso</i>-(<i>R</i>,<i>R</i>,<i>S</i>,<i>S</i>)-<i>trans</i>-4,5,4',5'-tetrahydroxy-2,2'-bi(1,3-thiaoxolane)-dimethylacetamide (1:2)","Acta Crystallographica Section C","1992","48","7","1267","1269","10.1107/S0108270191014683","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000764","13.391","0.002","28.817","0.003","6.667","0.002","90","","97.256","0.017","90","","2552.1","0.9","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N O3 -","- C32 H2 N O3 -","- C128 H8 N4 O12 -","4","1","CR0359","Luss, H. R.; Texter, J.","Structure of <i>N</i>-{2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl}-1-hydroxy-2-naphthalenecarboxamide","Acta Crystallographica Section C","1992","48","7","1269","1272","10.1107/S0108270191013847","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000765","19.307","0.003","19.307","0.003","26.735","0.004","90","","90","","120","","8631","2","","","","","","","","","","","","3","R -3 :H","-R 3","","","","","- C19 H16 O -","- C38 H30 O2 -","- C912 H720 O48 -","24","1.33333","MU0292","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Low, J. N.; Scrimgeour, S. N.","The structure of triphenylmethanol, Ph~3~COH","Acta Crystallographica Section C","1992","48","7","1272","1275","10.1107/S0108270191015044","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249444","2020-10-21","18:00:00",""
"2000766","13.82","0.002","6.205","0.001","17.55","0.003","90","","106.06","0.01","90","","1446.2","0.4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H20 I N O2 -","- C12 H20 I N O2 -","- C48 H80 I4 N4 O8 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000767","12.233","0.003","13.733","0.003","14.169","0.006","90","","112.75","0.03","90","","2195.1","1.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C19 H26 I N O4 S -","- C19 H26 I N O4 S -","- C76 H104 I4 N4 O16 S4 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","190713","2020-10-21","18:00:00",""
"2000768","7.527","0.001","9.157","0.001","9.988","0.001","96.39","0.01","110.4","0.01","93.24","0.01","637.87","0.14","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O2 S2 -","- C28 H30 N4 O2 S2 -","- C28 H30 N4 O2 S2 -","1","0.5","BX0570","Mizuguchi, J.; Rihs, G.","Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide","Acta Crystallographica Section C","1992","48","7","1279","1283","10.1107/S0108270191014701","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000769","12.674","0.001","10.318","0.001","8.761","0.001","90","","100.32","0.01","90","","1127.14","0.19","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H24 N2 O2 S4 -","- C22 H24 N2 O2 S4 -","- C44 H48 N4 O4 S8 -","2","0.5","BX0570","Mizuguchi, J.; Rihs, G.","Structures of complexes of 2,3,3a,5,6,6a-hexahydro-3,6-diphenyl-1<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dithione with <i>N</i>-methyl-2-pyrrolidone and dimethyl sulfoxide","Acta Crystallographica Section C","1992","48","7","1279","1283","10.1107/S0108270191014701","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000770","23.08","0.03","7.842","0.003","28.081","0.013","90","","105.97","0.07","90","","4886","7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C6 H2 Br2 N2 O2 -","- C6 H2 Br2 N2 O2 -","- C144 H48 Br48 N48 O48 -","24","3","CR0354","Britton, D.","The crystal packing of 4,7-dibromobenzofurazan 1-oxide","Acta Crystallographica Section C","1992","48","7","1283","1285","10.1107/S0108270191014774","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000771","6.105","0.002","16.634","0.003","14.356","0.003","90","","90","","90","","1457.9","0.6","","","","","","","","","","","","4","P b c n","","","","","","- C18 H15 F2 P -","- C18 H15 F2 P -","- C72 H60 F8 P4 -","4","0.5","HH0563","Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R.","Structure of difluorotriphenylphosphorane","Acta Crystallographica Section C","1992","48","7","1288","1290","10.1107/S0108270191014889","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000772","13.561","0.004","6.598","0.001","14.108","0.004","90","","118.37","0.02","90","","1110.7","0.5","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","HH0572","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.","Three substituted hexahydro-5,8-dimethanonaphthalenes","Acta Crystallographica Section C","1992","48","7","1290","1294","10.1107/S0108270191014877","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000773","6.556","0.002","25.739","0.01","7.436","0.005","90","","111.25","0.04","90","","1169.5","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 O2 -","- C12 H10 Br2 O2 -","- C48 H40 Br8 O8 -","4","1","HH0572","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.","Three substituted hexahydro-5,8-dimethanonaphthalenes","Acta Crystallographica Section C","1992","48","7","1290","1294","10.1107/S0108270191014877","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000774","10.827","0.004","8.395","0.002","12.997","0.002","90","","105.34","0.02","90","","1139.2","0.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","HH0572","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.","Three substituted hexahydro-5,8-dimethanonaphthalenes","Acta Crystallographica Section C","1992","48","7","1290","1294","10.1107/S0108270191014877","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000775","8.604","0.002","14.29","0.004","24.924","0.004","90","","90","","90","","3064.4","1.2","","","","","","","","","","","","6","P b c a","","","","","","- C14 H10 F3 N3 O2 S -","- C14 H10 F3 N3 O2 S -","- C112 H80 F24 N24 O16 S8 -","8","1","CR0380","Wang, X.; Deng, R.; Wu, J.; Chen, Z.","Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone","Acta Crystallographica Section C","1992","48","7","1295","1297","10.1107/S0108270191014762","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000776","7.44","0.002","7.44","0.002","16.097","0.006","90","","90","","90","","891","0.5","","","","","","","","","","","","4","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- Ba Cu O10 Si4 -","- Ba2 Cu4 O10 Si4 -","- Ba8 Cu16 O40 Si16 -","4","0.25","BX0572","Lin, H. C.; Liao, F. L.; Wang, S. L.","Structure of BaCuSi~4~O~10~","Acta Crystallographica Section C","1992","48","7","1297","1299","10.1107/S0108270192001203","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000777","7.447","0.001","7.447","0.001","16.138","0.002","90","","90","","90","","895","0.2","","","","","","","","","","","","4","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","AB0258","Janczak, J.; Kubiak, R.","Refinement of the structure of barium copper silicate BaCu[Si~4~O~10~] at 300 K","Acta Crystallographica Section C","1992","48","7","1299","1301","10.1107/S0108270191014580","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2000778","4.41","0.002","4.41","0.002","24.27","0.02","90","","90","","120","","408.8","0.4","","","","","","","","","","","","3","R -3 m","-R 3 2""","","","","","- Er K Te2 -","- Er K Te2 -","- Er3 K3 Te6 -","3","","ST0551","Keane, P. M.; Ibers, J. A.","Structure of KErTe~2~","Acta Crystallographica Section C","1992","48","7","1301","1303","10.1107/S0108270191014208","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000779","14.902","0.001","10.815","0.004","14.941","0.001","90","","103.29","0.01","90","","2343.5","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 I N2 Pt -","- C26 H29 I N2 Pt -","- C104 H116 I4 N8 Pt4 -","4","1","GE0287","Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G.","Structure of {<i>ad</i>,<i>be</i>-bis[(8-dimethylamino-κ<i>N</i>)naphthyl-κ<i>C</i>^1^]}-<i>f</i>-ethyl-<i>c</i>-iodoplatinum(IV)","Acta Crystallographica Section C","1992","48","7","1303","1305","10.1107/S0108270192001616","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000780","12.252","0.003","9.176","0.002","11.974","0.008","90","","115.06","0.03","90","","1219.4","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C12 H32 Cl8 N4 O2 Os -","- C12 H32 Cl8 N4 O2 Os -","- C24 H64 Cl16 N8 O4 Os2 -","2","0.5","AB0247","Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T.","Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride","Acta Crystallographica Section C","1992","48","7","1305","1307","10.1107/S0108270191014117","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2000781","8.545","0.003","3.8691","0.001","12.692","0.004","90","","90","","90","","419.6","0.2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cl Cu N -","- C2 H3 Cl Cu N -","- C8 H12 Cl4 Cu4 N4 -","4","0.5","HA0086","Jones, P. G.","Redetermination of the structure of (acetonitrile)chlorocopper(I) [(H~3~CCN)CuCl] at 178 K","Acta Crystallographica Section C","1992","48","7","1307","1308","10.1107/S0108270191013926","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000782","7.674","0.002","11.113","0.003","13.346","0.004","71.64","0.02","79.49","0.02","86.62","0.02","1062.1","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 O4 Sn -","- C20 H36 O4 Sn -","- C40 H72 O8 Sn2 -","2","1","CD0062","Bélanger-Gariépy, F.; Léger, R.; Hanessian, S.","Structure of a bicyclic organostannane resulting from a trimethyltin hydride addition-cyclization reaction","Acta Crystallographica Section C","1992","48","7","1309","1310","10.1107/S0108270191013793","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000783","21.817","0.003","21.817","0.003","30.658","0.005","90","","90","","90","","17759","5","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","","","","","- C65 H69 F12 N4 P10 Rh2 -","- C65 H69 F12 N4 P6 Rh2 -","- C520 H552 F96 N32 P48 Rh16 -","8","0.5","CR0383","Tortorelli, L. J.; Woods, C.; Campana, C. F.","Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(<i>tert</i>-C~4~H~9~NC)~2~](PF~6~)~2~","Acta Crystallographica Section C","1992","48","7","1311","1312","10.1107/S0108270191014294","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203310","2020-10-21","18:00:00",""
"2000784","14.141","0.004","20.209","0.005","14.207","0.004","90","","95.85","0.03","90","","4038.9","1.9","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Au2 F10 P2 -","- C37 H22 Au2 F10 P2 -","- C148 H88 Au8 F40 P8 -","4","1","HA0092","Jones, P. G.; Thöne, C.","μ-[Bis(diphenylphosphino)methane]-bis[pentafluorophenylgold(I)] at 178 K","Acta Crystallographica Section C","1992","48","7","1312","1314","10.1107/S0108270191014518","","","0.71069","monoclinic","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000785","8.5402","0.0014","10.0286","0.0016","10.584","0.002","110.221","0.01","95.476","0.01","93.42","0.012","842.6","0.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Ag2 Cu I4 N4 O2 -","- C26 H28 Ag2 Cu I4 N4 O2 -","- C26 H28 Ag2 Cu I4 N4 O2 -","1","0.5","HA0094","Jones, P. G.","Bis[1,1-di(2-pyridyl)ethyl methyl ether-<i>N</i>,<i>N</i>',<i>O</i>]copper(II) di-μ-iodo-bis[iodoargentate(I)]","Acta Crystallographica Section C","1992","48","7","1314","1315","10.1107/S0108270191014506","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000786","10.2","0.02","13.55","0.04","7.98","0.01","90.7","0.2","99.7","0.2","105.1","0.2","1048","4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl Cu N5 O5 -","- C21 H16 Cl Cu N5 O5 -","- C42 H32 Cl2 Cu2 N10 O10 -","2","1","AL0480","McAuliffe, C. A.; Pritchard, R. G.; Bermejo, M. R.; Garcia-Vazquez, A.; Macias, A.; Sanmartín, J.; Romero, J.; Sousa, A.","Bis(2,2'-bipyridine)isocyanatocopper(II) perchlorate","Acta Crystallographica Section C","1992","48","7","1316","1317","10.1107/S010827019101449X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000787","11.268","0.003","12.815","0.003","13.72","0.004","107.37","0.01","98.15","0.02","110.42","0.01","1703.7","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N5 O2 -","- C17 H22 N5 O1.5 -","- C68 H88 N20 O6 -","4","2","PA0256","Dupont, L.; Englebert, S.; Dideberg, O.; Liégeois, J. F.; Delarge, J.","Structure du 6-(4-méthylpipérazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazépine 1,5-hydrate","Acta Crystallographica Section C","1992","48","7","1322","1324","10.1107/S0108270191013744","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000788","5.63","0.001","9.341","0.002","15.531","0.003","90","","98.4","0.01","90","","808","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C44 H32 O8 -","4","1","AL0517","Maniukiewicz, W.; Bukowska-Strzyżewska, M.","Structure of 2-hydroxy-1-naphthaldehyde","Acta Crystallographica Section C","1992","48","7","1324","1326","10.1107/S0108270191013628","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000789","9.149","0.002","10.934","0.001","12.064","0.001","90","","93.14","0.01","90","","1205","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","AS0509","Okabe, N.; Tatsumi, M.; Sasaki, Y.","Structure of <small>DL</small>-desthiobiotin","Acta Crystallographica Section C","1992","48","7","1326","1327","10.1107/S010827019101380X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000790","12.301","0.003","13.3","0.004","10.817","0.003","90","","110.94","0.02","90","","1652.8","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H14 Cl N3 O5 -","- C16 H14 Cl N3 O5 -","- C64 H56 Cl4 N12 O20 -","4","1","CR0377","Boggess, R. K.","Monoprotonated perchlorate salt of tris(2-pyridyl)methanol","Acta Crystallographica Section C","1992","48","7","1327","1329","10.1107/S0108270191013860","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000791","10.936","0.002","8.846","0.001","14.6","0.003","89.08","0.02","105.16","0.02","100.12","0.02","1341.4","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N3 O5 -","- C30 H33 N3 O5 -","- C60 H66 N6 O10 -","2","1","PA0252","Theobald, F.; Rodier, N.; Moustaid, K.; Nguyen Dinh An; Laude, B.","Structure of ethyl 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate","Acta Crystallographica Section C","1992","48","7","1329","1331","10.1107/S0108270191013719","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000792","5.4732","","8.6274","","19.4255","","90","","90","","90","","917.262","","","","","","","","","","","","","5","P b c 21","P 2c -2b","29","","N-benzylmethanesulfonamide","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","HA0085","Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K.","<i>N</i>-Benzylmethanesulfonamide","Acta Crystallographica Section C","1992","48","7","1331","1333","10.1107/S0108270191013987","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205890","2020-10-21","18:00:00",""
"2000793","9.203","0.003","9.81","0.03","12.705","0.006","90","","90","","90","","1147","4","","","","","","","","","","","","3","P b c a","","","","","","- C10 H2 F12 -","- C10 H2 F12 -","- C40 H8 F48 -","4","0.5","ST0561","Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.","Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene","Acta Crystallographica Section C","1992","48","7","1339","1341","10.1107/S0108270191013963","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000794","20.301","0.005","8.952","0.002","14.707","0.006","90","","90","","90","","2672.8","1.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H16 O5 S -","- C12 H16 O5 S -","- C96 H128 O40 S8 -","8","1","AB0261","Frydenvang, K.; Jensen, B.","Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane","Acta Crystallographica Section C","1992","48","7","1341","1343","10.1107/S0108270191014622","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000795","6.7895","0.0009","22.054","0.002","9.713","0.001","90","","103.5","0.01","90","","1414.2","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N4 O8 -","- C11 H16 N4 O8 -","- C44 H64 N16 O32 -","4","1","AB0260","Frydenvang, K.; Jensen, B.; Nielsen, K.","Structure of choline picrate","Acta Crystallographica Section C","1992","48","7","1343","1345","10.1107/S0108270191014610","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000796","15.603","0.003","13.7397","0.0006","23.717","0.005","90","","90.28","0.015","90","","5084.4","1.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl10 N3 O2 -","- C17 H15 Cl10 N3 O2 -","- C136 H120 Cl80 N24 O16 -","8","2","GE0296","Kanters, J. A.; ter Horst, E. H.; Grech, E.","Structure of [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium(1+) pentachlorophenolate(1-) pentachlorophenol]~2~","Acta Crystallographica Section C","1992","48","7","1345","1347","10.1107/S010827019101435X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000797","7.825","0.001","14.254","0.001","18.91","0.002","90","","90","","90","","2109.2","0.4","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ent-3α,11b-Diacetoxy-2β-hydroxy-16-oxo-17,20-dinor-9α,15α- cyclogibberell- 1(10)-ene-7,19-dioic Acid 7-Methyl Ester 19,2-Lactone","","- C23 H24 O9 -","- C23 H24 O9 -","- C92 H96 O36 -","4","1","HL1000","Furber, M.; Mander, L. N.; Patrick, G. L.; Willis, A. C.","A 9,5-cyclogibberellin formed from a bromogibberellin-16-one derivative","Acta Crystallographica Section C","1992","48","7","1348","1350","10.1107/S0108270192003767","","","0.71069","MoKαradiation","","0.059","0.04","","0.056","0.048","","","","1.352","1.419","1.419","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000798","6.292","0.001","12.329","0.001","9.233","0.001","90","","105.91","0.01","90","","688.8","0.15","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- F2 H20 N2 Ni O12 P2 -","- F2 H20 N2 Ni O12 P2 -","- F4 H40 N4 Ni2 O24 P4 -","2","0.5","AL1003","Berraho, M.; R'Kha, C.; Vegas, A.; Rafiq, M.","Structure of Ni(H~2~O)~6~(NH~4~)~2~(PO~3~F)~2~","Acta Crystallographica Section C","1992","48","7","1350","1352","10.1107/S0108270192003044","","","0.7107","MoKα","","","0.03","","","0.034","","","","","0.996","0.996","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000799","8.767","0.001","7.117","0.002","7.26","0.002","90","","110.23","0.02","90","","425.04","0.18","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","(±)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","AB1006","Vinković, M.; Dumić, M.; Kamenar, B.","(±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane","Acta Crystallographica Section C","1992","48","7","1352","1354","10.1107/S0108270192003755","","","0.7101","MoKα","","0.036","0.032","","0.045","0.041","","","","0.7691","0.7693","0.7693","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000800","8.86","0.008","11.007","0.002","16.316","0.004","90","","90","","90","","1591.2","1.5","293","","","","","","","","","","","5","P n n 2","P 2 -2n","","","","","- C14 H11 Fe N2 O10 -","- C14 H11 Fe N2 O10 -","- C56 H44 Fe4 N8 O40 -","4","1","DU1001","Cousson, A.; Nectoux, F.; Rizkalla, E. N.","Structure of bis(dipicolinato)ferrate(III) dihydrate","Acta Crystallographica Section C","1992","48","7","1354","1357","10.1107/S0108270192002877","","","0.71069","MoKα","","","0.041","","","0.04","","","","","2.15","2.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000801","5.135","0.001","5.135","0.001","33.882","0.005","90","","90","","90","","893.4","0.4","293","","","","","","","","","","","5","I 41/a","-I 4ad","","","","","- As Ca2 O12 W2 Y -","- As Ca2 O12 W2 Y -","- As4 Ca8 O48 W8 Y4 -","4","","NA1005","Demartin, F.; Gramaccioli, C. M.; Pilati, T.","Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite","Acta Crystallographica Section C","1992","48","7","1357","1359","10.1107/S0108270192003688","","","0.71073","MoKα","","","0.024","","","0.027","","","","","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000802","10.928","0.004","37.398","0.004","6.139","0.004","90","","90","","90","","2508.9","1.9","297","","297","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(p-butoxybenzylidene)androsta-1,4-diene-3,17-dione","","- C30 H36 O3 -","- C30 H36 O3 -","- C120 H144 O12 -","4","1","HL1004","Ogawa, K.; Yoshimura, S.; Kaji, M.; Kagawa, H.; Kakuta, A.","16-(<i>p</i>-Butoxybenzylidene)androsta-1,4-diene-3,17-dione","Acta Crystallographica Section C","1992","48","7","1359","1361","10.1107/S0108270192003925","","","1.54184","","","0.057","0.05","","0.059","0.058","","","","2.441","2.58","2.58","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000803","19.72","0.009","7.703","0.003","7.753","0.003","90","","96.57","0.04","90","","1170","0.8","178","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 Ag2 N4 S4 Zn -","- C4 Ag2 N4 S4 Zn -","- C16 Ag8 N16 S16 Zn4 -","4","0.5","HA1006","Jones, P. G.; Bembenek, E.","Redetermination of the structure of zinc disilver(I) tetrathiocyanate (at 178 K)","Acta Crystallographica Section C","1992","48","7","1361","1362","10.1107/S0108270192003986","","","0.71069","MoKα","","","0.026","","","0.03","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000804","28.795","0.003","8.887","0.001","12.139","0.001","90","","103.17","0.01","90","","3024.7","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(tert-butyl)-cis-5-(p-chlorophenylthio)-trans-5-methyl-1,3-dioxolan-4-one","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C112 H136 Cl8 O24 S8 -","8","1","HL1010","Beckwith, A. L. J.; Chai, C. L. L.; Willis, A. C.","2-(<i>tert</i>-Butyl)-<i>cis</i>-5-(<i>p</i>-chlorophenylthio)-<i>trans</i>-5-methyl-1,3-dioxolan-4-one","Acta Crystallographica Section C","1992","48","7","1362","1364","10.1107/S0108270192004165","","","0.71069","molybdenumKα","","0.061","0.031","","0.047","0.039","","","","1.258","1.311","1.311","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000805","7.651","0.002","21.79","0.01","6.689","0.002","90","","113.85","0.03","90","","1020","1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 N2 O13 P2 Te -","- H13 N2 O10 P2 Te0.5 -","- H52 N8 O40 P8 Te2 -","4","1","PA0258","Averbuch-Pouchot, M. T.; Durif, A.","Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~","Acta Crystallographica Section C","1992","48","6","973","975","10.1107/S0108270191013604","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000806","5.616","0.002","10.062","0.001","8.727","0.001","90","","90.9","0.02","90","","493.09","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- Ba O6 P V -","- Ba O6 P V -","- Ba4 O24 P4 V4 -","4","1","BR0009","Kang, H. Y.; Wang, S. L.; Lii, K. H.","Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)","Acta Crystallographica Section C","1992","48","6","975","978","10.1107/S0108270191014038","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000807","5.43","0.001","9.846","0.002","8.517","0.002","90","","90.6","0.02","90","","455.33","0.16","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- O6 P Sr V -","- O6 P Sr V -","- O24 P4 Sr4 V4 -","4","1","BR0009","Kang, H. Y.; Wang, S. L.; Lii, K. H.","Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)","Acta Crystallographica Section C","1992","48","6","975","978","10.1107/S0108270191014038","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000808","12.45","0.002","12.727","0.003","12.694","0.002","90","","97.99","0.01","90","","1991.9","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- As2 Ba3 H14 O7 S8 -","- As2 Ba3 H14 O7 S8 -","- As8 Ba12 H56 O28 S32 -","4","1","SE0081","Mereiter, K.; Preisinger, A.","Structure of Ba~3~(AsS~4~)~2~.7H~2~O at 125 K","Acta Crystallographica Section C","1992","48","6","984","987","10.1107/S0108270191013938","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000809","11.996","0.005","15.298","0.006","16.508","0.009","90","","105.4","0.03","90","","2921","2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cr O4 P2 -","- C32 H28 Cr O4 P2 -","- C128 H112 Cr4 O16 P8 -","4","1","AS0545","Ueng, C.-H.; Shih, G.-Y.","Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)","Acta Crystallographica Section C","1992","48","6","988","991","10.1107/S0108270191012404","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000810","12.055","0.001","15.352","0.005","16.544","0.004","90","","104.68","0.02","90","","2961.8","1.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O4 P2 W -","- C32 H28 O4 P2 W -","- C128 H112 O16 P8 W4 -","4","1","AS0545","Ueng, C.-H.; Shih, G.-Y.","Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)","Acta Crystallographica Section C","1992","48","6","988","991","10.1107/S0108270191012404","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000811","5.161","0.002","12.251","0.004","11.266","0.003","90","","94.87","0.02","90","","709.7","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Ge N O4 -","- C4 H11 Ge N O4 -","- C16 H44 Ge4 N4 O16 -","4","1","AS0538","Chiang, H.-C.; Lin, S.-M.; Ueng, C.-H.","Synthesis and structure of dihydroxo(η^3^-2,2'-iminodiethoxo)germanium(IV)","Acta Crystallographica Section C","1992","48","6","991","993","10.1107/S0108270191012398","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000812","12.583","0.007","12.667","0.008","13.08","0.008","76.59","0.04","86.72","0.04","79.34","0.04","1993","2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 I6 In2 P6 -","- C78 H72 I6 In2 P6 -","- C78 H72 I6 In2 P6 -","1","0.5","LI0104","Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.","Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)","Acta Crystallographica Section C","1992","48","6","995","999","10.1107/S0108270191013033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000813","10.418","0.008","10.769","0.009","13.808","0.009","90","","90","","90","","1549","2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H18 Cl3 In P2 -","- C6 H18 Cl3 In P2 -","- C24 H72 Cl12 In4 P8 -","4","0.5","LI0104","Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.","Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)","Acta Crystallographica Section C","1992","48","6","995","999","10.1107/S0108270191013033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000814","10.058","0.001","14.182","0.003","17.988","0.003","90","","97.94","0.02","90","","2541.3","0.7","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C20 H9 I N O9 P Ru3 -","- C20 H9 I N O9 P Ru3 -","- C80 H36 I4 N4 O36 P4 Ru12 -","4","1","PA0254","Lugan, N.; Lavigne, G.; Bonnet, J.-J.","Structural characterization of 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-μ-iodo-1,2,3-[μ~3~-(phenylpyridylphosphido)-μ-<i>P</i>,<i>N</i>]-<i>triangulo</i>-triruthenium","Acta Crystallographica Section C","1992","48","6","999","1002","10.1107/S010827019101260X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000815","26.374","0.003","12.22","0.002","16.278","0.003","90","","90","","90","","5246.2","1.4","","","","","","","","","","","","6","F d d 2","F 2 -2d","","","","","- C26 H26 Cl2 N2 O2 Zn -","- C32 H12 Cl2 N2 O2 Zn -","- C256 H96 Cl16 N16 O16 Zn8 -","8","0.5","BX0556","Hajjem, B.; Kallel, A.; Svoboda, I.; Sakurai, J.","Structure of di(5-β-methylallyl-2-phenyl-1,3-oxazole)zinc(II) dichloride","Acta Crystallographica Section C","1992","48","6","1002","1004","10.1107/S0108270191013343","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000816","7.761","0.005","20.578","0.01","15.634","0.011","90","","103.1","0.06","90","","2432","3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H12 Mn N O2 -","- C13 H12 Mn N O2 -","- C104 H96 Mn8 N8 O16 -","8","2","AB0251","Crocock, B.; Long, C.; Howie, R. A.","The synthesis and structure of the pyridine-substituted derivative of tricarbonyl(η^5^-methylcyclopentadienyl)manganese(I)","Acta Crystallographica Section C","1992","48","6","1004","1007","10.1107/S0108270191013161","","","0.710692","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000817","7.929","0.002","8.716","0.003","10.914","0.003","98.77","0.02","90.3","0.02","105.79","0.02","716.4","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 N O13 V -","- C6 H20 N O13 V -","- C12 H40 N2 O26 V2 -","2","1","AS0562","Okamoto, K.; Hidaka, J.; Fukagawa, M.; Kanamori, K.","Structure of triaqua(nitrilotriacetato)vanadium(III) tetrahydrate","Acta Crystallographica Section C","1992","48","6","1025","1027","10.1107/S010827019101377X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206333","2020-10-21","18:00:00",""
"2000818","14.332","0.003","16.592","0.003","17.42","0.003","90","","90","","90","","4142.4","1.3","","","","","","","","","","","","6","P b c a","","","","","","- C10 H30 Cl2 O3 P4 Pd -","- C10 H30 Cl2 O3 P4 Pd -","- C80 H240 Cl16 O24 P32 Pd8 -","8","1","CR0282","Davies, J. A.; Pinkerton, A. A.; Vilmer, M.","<i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate","Acta Crystallographica Section C","1992","48","6","1027","1029","10.1107/S0108270191013859","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","189069","2020-10-21","18:00:00",""
"2000819","12.082","0.001","8.965","0.001","22.888","0.002","90","","91.25","0.01","90","","2478.5","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl3 N4 Nd O22 -","- C8 Cl3 N4 Nd O37 -","- C32 Cl12 N16 Nd4 O148 -","4","1","KA0012","Csöregh, I.; Huskowska, E.; Legendziewicz, J.","Structure of a neodymium diglycine complex, [Nd(Gly-Gly)~2~(H~2~O)~2~](ClO~4~)~3~.2H~2~O","Acta Crystallographica Section C","1992","48","6","1030","1033","10.1107/S0108270191014257","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000820","16.58","0.03","8.34","0.01","24.35","0.03","90","","91.2","0.2","90","","3366","8","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","2","CR0353","Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Tunnell, J. L.; Ferrara, J. D.","Structure of the crystalline dimer of α-hydroxyisobutyrophenone: (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane","Acta Crystallographica Section C","1992","48","6","1033","1036","10.1107/S0108270191012428","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000821","13.49","0.003","7.734","0.002","8.211","0.003","90","","97.6","0.04","90","","849.1","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","PA0236","Bocelli, G.; Cantoni, A.; Tosi, G.","Structure of butanedione bis(methylphenylhydrazone)","Acta Crystallographica Section C","1992","48","6","1041","1043","10.1107/S010827019101257X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000822","9.734","0.002","10.873","0.007","7.256","0.002","101.47","0.04","106.31","0.02","81.6","0.04","719","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl2 N S -","- C14 H15 Cl2 N S -","- C28 H30 Cl4 N2 S2 -","2","1","PA0247","Enjalbert, R.; Galy, J.; Géhénot, A.; Rao, R. C.; Maire, G.","Structure of ticlopidine hydrochloride - a platelet antiaggregating agent","Acta Crystallographica Section C","1992","48","6","1043","1045","10.1107/S0108270191012593","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000823","7.659","0.001","12.741","0.001","15.095","0.001","90","","90","","90","","1473","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","LI0105","Priya, V.; Shamala, N.; Viswamitra, M. A.; Senthil Kumar, U. P.; Jeyaraman, R.","Structure of <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one","Acta Crystallographica Section C","1992","48","6","1048","1051","10.1107/S0108270191012982","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000824","14.232","0.001","14.232","0.001","10.169","0.004","90","","90","","90","","2059.7","0.8","","","","","","","","","","","","4","P -4 21 c","P -4 2n","","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000825","13.854","0.001","9.071","0.001","11.808","0.004","90","","92.14","0.01","90","","1482.9","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H21 N3 O2 -","- C14 H21 N3 O2 -","- C56 H84 N12 O8 -","4","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000826","12.639","0.001","10.185","0.001","7.851","0.004","90","","96.92","0.01","90","","1003.3","0.5","","","","","","","","","","","","4","P 1 21 1","","","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C44 H42 N6 O4 -","2","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000827","7.311","0.001","5.565","0.001","88.01","0.01","90","","90","","90","","3580.7","0.9","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H34 O2 -","- C18 H34 O2 -","- C144 H272 O16 -","8","1","AS0516","Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the low-melting phase of petroselinic acid","Acta Crystallographica Section C","1992","48","6","1054","1057","10.1107/S0108270191012921","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000828","5.359","0.001","8.874","0.002","41.391","0.005","90.49","0.01","89.12","0.02","113.81","0.02","1800.6","0.6","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H34 O2 -","- C18 H34 O2 -","- C72 H136 O8 -","4","2","AS0527","Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the high-melting phase of petroselinic acid","Acta Crystallographica Section C","1992","48","6","1057","1060","10.1107/S0108270191013173","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000829","5.462","0.001","5.197","0.001","44.16","0.01","91.2","0.01","90.85","0.02","117.32","0.02","1113","0.4","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H42 O2 -","- C22 H42 O2 -","- C44 H84 O4 -","2","1","AS0523","Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the γ~1~ phase of erucic acid","Acta Crystallographica Section C","1992","48","6","1060","1063","10.1107/S0108270191012994","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000830","9.266","0.007","14.57","0.01","7.404","0.005","90","","108.6","0.06","90","","947.4","1.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","KA0011","Lokaj, J.; Sivý, P.; Ilavsky, D.; Marchalin, S.; Vrabel, V.; Kettmann, V.","Structure of (4<i>Z</i>,6<i>Z</i>)-6-acetyl-7-hydroxy-2,4,6-octatriene-4-olide","Acta Crystallographica Section C","1992","48","6","1063","1065","10.1107/S0108270191013021","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000831","29.056","0.009","13.127","0.003","10.068","0.002","90","","90","","90","","3840.1","1.7","","","","","","","","","","","","3","P b c a","","","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C160 H288 O32 -","8","1","AS0535","Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J.","Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene","Acta Crystallographica Section C","1992","48","6","1065","1068","10.1107/S010827019101301X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000832","15.492","0.002","6.592","0.001","17.193","0.002","90","","99.96","0.01","90","","1729.3","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C17 H24 Cl N3 O2 -","- C17 H23 Cl N3 O2 -","- C68 H92 Cl4 N12 O8 -","4","1","AL0483","Ciechanowicz-Rutkowska, M.; Stadnicka, K.; Filippini, G.; Pilati, T.","Structure of an anti-arrhythmic and hypotensive agent: 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl}pyrrolidin-2-one","Acta Crystallographica Section C","1992","48","6","1068","1071","10.1107/S0108270191013112","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000833","11.313","0.001","19.187","0.001","9.6363","0.0009","90","","90","","90","","2091.7","0.3","","","","","","","","","","","","4","P n a 21","","","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","AS0533","Ogawa, K.; Yoshimura, S.; Takeuchi, Y.; Katritzky, A.; Murugan, R.","Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine","Acta Crystallographica Section C","1992","48","6","1071","1074","10.1107/S0108270191013008","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000834","6.995","0.002","14.902","0.005","9.803","0.004","90","","110.33","0.03","90","","958.2","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O4 P2 -","- C18 H22 N4 O4 P2 -","- C36 H44 N8 O8 P4 -","2","0.5","BX0558","Englehardt, U.; Stromburg, B.","2,8-Dioxo-2,8-diphenoxy-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan","Acta Crystallographica Section C","1992","48","6","1074","1076","10.1107/S0108270191013331","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206334","2020-10-21","18:00:00",""
"2000835","8.248","0.001","5.145","0.002","19.724","0.002","90","","90.67","0.01","90","","836.9","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","LI0100","Begum, N. S.; Jain, M.; Chandrasekhar, S.; Venkatesan, K.","Structure of 3-(2-hydroxyphenyl)propionic acid","Acta Crystallographica Section C","1992","48","6","1076","1078","10.1107/S0108270191012970","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000836","9.35","0.006","9.271","0.002","9.695","0.012","90","","108.38","0.03","90","","797.5","1.1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C32 H40 N4 O6 -","2","1","LI0095","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.","Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K","Acta Crystallographica Section C","1992","48","6","1079","1082","10.1107/S0108270191012969","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000837","9.474","0.006","9.163","0.004","9.524","0.006","90","","107.83","0.03","90","","787.1","0.8","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C32 H40 N4 O6 -","2","1","LI0095","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.","Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K","Acta Crystallographica Section C","1992","48","6","1079","1082","10.1107/S0108270191012969","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000838","6.579","0.005","8.441","0.007","13.893","0.014","101.92","0.09","103.38","0.06","97.44","0.06","721.5","1.2","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O7 -","- C17 H14 O7 -","- C34 H28 O14 -","2","1","LI0106","Parmar, V. S.; Vardhan, A.; Sharma, R. K.; Alcock, N. W.; Errington, W.","Structure of prudomestin","Acta Crystallographica Section C","1992","48","6","1090","1092","10.1107/S0108270191013823","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000839","7.353","0.001","10.153","0.001","25.324","0.003","90","","90","","90","","1890.6","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O2 -","- C21 H32 N2 O2 -","- C84 H128 N8 O8 -","4","1","HE0035","Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.","Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)","Acta Crystallographica Section C","1992","48","6","1092","1095","10.1107/S010827019101466X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000840","8.564","0.005","9.439","0.009","9.566","0.005","86.01","0.09","72.3","0.06","78.09","0.09","720.8","1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 Cl6 O10 Pr2 -","- C16 H36 Cl6 O10 Pr2 -","- C16 H36 Cl6 O10 Pr2 -","1","0.5","CD0074","Rogers, R. D.; Henry, R. F.","Structure of [PrCl~3~(EO4)]~2~","Acta Crystallographica Section C","1992","48","6","1099","1101","10.1107/S0108270191012763","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000841","14.533","0.003","18.004","0.005","8.538","0.002","100.37","0.01","105.92","0.05","74.69","0.03","2058.1","1","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H20 Au F6 N2 S4 Sb -","- C10 H20 Au F6 N2 S4 Sb -","- C40 H80 Au4 F24 N8 S16 Sb4 -","4","2","AS0529","Hong, M.; Huang, Z.; Lei, X.; Jiang, F.; Liu, H.","Structure of bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)gold(III) hexafluoroantimonate","Acta Crystallographica Section C","1992","48","6","1101","1102","10.1107/S010827019101291X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000842","16.908","0.002","27.038","0.003","9.531","0.001","93.88","0.01","95.71","0.01","106.86","0.01","4127.8","0.8","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Fe N O6 P2 -","- C45 H39 Fe N O6 P2 -","- C180 H156 Fe4 N4 O24 P8 -","4","2","PA0260","Brunet, J.-J.; Dahan, F.; Passelaigue, E.","Structure of bis(triphenylphosphine)iminium tetracarbonyl(α-ethoxycarbonylethyl)ferrate: [{(C~6~H~5~)~3~P}~2~N][Fe(CO)~4~{CH(CH~3~)COOC~2~H~5~}]","Acta Crystallographica Section C","1992","48","6","1103","1105","10.1107/S0108270191012945","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000843","8.027","0.001","5.725","0.002","11.43","0.002","90","","97.08","0.01","90","","521.3","0.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- Cl4 Fe H14 N4 O2 -","- Cl4 Fe H14 N4 O2 -","- Cl8 Fe2 H28 N8 O4 -","2","0.5","AB0163","Kumar, N. R. S.; Nethaji, M.","Structure of diaquadichlorobis(hydrazinium)iron(II) dichloride","Acta Crystallographica Section C","1992","48","6","1105","1107","10.1107/S010827019101329X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000844","6.73","0.001","8.366","0.001","8.835","0.001","74.15","0.01","74.32","0.01","72.27","0.01","446.19","0.1","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 F K N2 O6 S -","- C4 H6 F K N2 O6 S -","- C8 H12 F2 K2 N4 O12 S2 -","2","1","GE0289","Antolini, L.; Pecorari, P.","Structure of potassium 5-fluoro-5,6-dihydrouracil-6-sulfonate monohydrate","Acta Crystallographica Section C","1992","48","6","1107","1109","10.1107/S0108270191013550","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000845","9.623","0.002","8.202","0.001","18.757","0.003","90","","96.2","0.01","90","","1471.8","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S Sn -","- C15 H15 N O S Sn -","- C60 H60 N4 O4 S4 Sn4 -","4","1","LI0115","Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.","Structure of [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV)","Acta Crystallographica Section C","1992","48","6","1109","1110","10.1107/S0108270191013045","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000846","23.659","0.008","32.794","0.01","10.042","0.005","90","","90","","90","","7791","5","","","","","","","","","","","","7","F d d 2","","","","","","- C8 H24 Cl2 F6 Ir N2 P3 -","- C8 H24 Cl2 F6 Ir N2 P3 -","- C128 H384 Cl32 F96 Ir16 N32 P48 -","16","1","AS0553","Uekusa, H.; Ohba, S.; Simonsen, K. P.; Kojima, M.; Fujita, J.","Structure of <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III) hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~","Acta Crystallographica Section C","1992","48","6","1111","1112","10.1107/S0108270191013185","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000847","7.552","0.002","8.114","0.002","9.714","0.004","93.88","0.02","102.04","0.03","114.8","0.02","520.3","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H11 Cl3 O3 Sn -","- C3 H11 Cl3 O3 Sn -","- C6 H22 Cl6 O6 Sn2 -","2","1","BX0564","Reuter, H.; Schröder, D.","Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH","Acta Crystallographica Section C","1992","48","6","1112","1114","10.1107/S0108270191013288","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000848","6.906","0.003","14.545","0.003","21.236","0.009","90","","99.05","0.02","90","","2106.6","1.4","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C13 H23 Co F9 N4 O3 P -","- C13 H23 Co F13 N4 O3 P -","- C52 H92 Co4 F52 N16 O12 P4 -","4","1","GE0283","Geremia, S.; Rahman, A.; Zangrando, E.","Structure of aqua{[3,3'-(1,3-propanediyldinitrilo)bis(2-butanone oximato)]-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(2,2,2-trifluoroethyl)cobalt(III) hexafluorophosphate","Acta Crystallographica Section C","1992","48","6","1114","1116","10.1107/S0108270191013562","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000849","11.418","0.002","7.989","0.001","11.231","0.002","90","","106.36","0.01","90","","983","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","AL0507","Blaser, D.; Stoeckli-Evans, H.","Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate)","Acta Crystallographica Section C","1992","48","6","1124","1125","10.1107/S0108270191012738","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000850","7.931","0.001","7.95","0.001","8.929","0.001","90","","102.81","0.01","90","","548.97","0.12","","","","","","","","","","","","3","P 1 21 1","","","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","AL0508","Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R.","Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)","Acta Crystallographica Section C","1992","48","6","1126","1127","10.1107/S010827019101274X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000851","13.59","0.01","10.62","0.01","7.59","0.01","110","0.1","106.2","0.1","91.4","0.1","980","2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H13 F6 N -","- C26 H13 F6 N -","- C52 H26 F12 N2 -","2","1","AL0494","Halfpenny, J.","Structure of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3<i>H</i>-naphtho[2,1-<i>b</i>]azepine","Acta Crystallographica Section C","1992","48","6","1127","1129","10.1107/S0108270191012349","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000852","9.027","0.004","3.922","0.001","13.396","0.006","90","","93.127","0.003","90","","473.6","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","PA0245","Bideau, J.-P.; Cotrait, M.; Buisson, J.-P.; Demerseman, P.","Structure cristalline du [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyrène)","Acta Crystallographica Section C","1992","48","6","1129","1131","10.1107/S0108270191012647","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000853","4.762","0.001","11.196","0.004","21.421","0.007","90","","90","","90","","1142.1","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C11 H13 F O2 S -","- C11 H13 F O2 S -","- C44 H52 F4 O8 S4 -","4","1","GE0292","Fabrizi, G.; Fedeli, W.; Lamba, D.","Structure of 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane","Acta Crystallographica Section C","1992","48","6","1131","1133","10.1107/S0108270191013574","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000854","7.752","0.004","7.539","0.003","12.096","0.007","90","","106.77","0.04","90","","676.9","0.6","","","","","","","","","","","","6","P 1 c 1","","","","","","- C9 H18 F6 N O P -","- C9 H18 F6 N O P -","- C18 H36 F12 N2 O2 P2 -","2","1","HE0037","Simpson, S. J.","2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","1992","48","6","1137","1138","10.1107/S0108270191013252","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000855","6.46","0.002","8.917","0.003","15.616","0.005","83.6","0.03","83.41","0.02","89.52","0.02","888","0.5","","","","","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O4 S2 -","- C15 H26 O4 S2 -","- C30 H52 O8 S4 -","2","2","ST0549","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer","Acta Crystallographica Section C","1992","48","6","1145","1148","10.1107/S0108270191013379","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2000856","8.1849","0.0008","8.9456","0.0014","12.0258","0.0014","90","","100.878","0.008","90","","864.69","0.19","","","","","","","","","","","","4","P 1 21 1","","","","","","- C15 H26 O4 S2 -","- C15 H26 O4 S2 -","- C30 H52 O8 S4 -","2","1","ST0549","Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.","Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer","Acta Crystallographica Section C","1992","48","6","1145","1148","10.1107/S0108270191013379","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000857","6.3847","0.0008","10.234","0.001","22.251","0.003","90","","90","","90","","1453.9","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","PA0257","Rodier, N.; Cense, J.-M.; Robert, J.-M.; Le Baut, G.","<i>N</i>-(4,6-Diméthylpyridin-2-yl)(1-méthylindol-2-yl)carboxamide","Acta Crystallographica Section C","1992","48","6","1148","1150","10.1107/S0108270191013732","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000858","7.746","0.003","11.965","0.005","12.538","0.004","90","","91.86","0.03","90","","1161.4","0.8","","","","","","","","","","","","6","P 1 21 1","","","","","","- C5 H15 N O4 S2 Si -","- C5 H15 N O4 S2 Si -","- C20 H60 N4 O16 S8 Si4 -","4","2","HA0087","Jones, P. G.; Weinkauf, A.","Redetermination of the structure of <i>N</i>-(trimethylsilyl)dimesylamine [(H~3~C)~3~SiN(SO~2~CH~3~)~2~] at 178 K","Acta Crystallographica Section C","1992","48","6","1150","1151","10.1107/S0108270191013355","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000859","19.057","0.007","7.473","0.003","7.286","0.003","90","","94.76","0.03","90","","1034","0.7","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-phenylpyridazino[2,1-f][1,2,4]triazin-4-one","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C48 H32 N16 O4 -","4","1","AS1002","Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A.","Two azabenzotriazines","Acta Crystallographica Section C","1992","48","6","1152","1154","10.1107/S0108270192002725","","","1.5405","CuKα_1","","","0.058","","","0.065","","","","","1.03","1.03","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000860","14.452","0.002","10.257","0.001","7.048","0.003","90","","98.11","0.02","90","","1034.3","0.5","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-phenylpyrazino[3,2-f][1,2,4]triazin-4-one","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C48 H32 N16 O4 -","4","1","AS1002","Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A.","Two azabenzotriazines","Acta Crystallographica Section C","1992","48","6","1152","1154","10.1107/S0108270192002725","","","1.5405","CuKα_1","","","0.062","","","0.054","","","","","1.38","1.38","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000861","5.493","0.004","7.262","0.005","22.459","0.015","98.51","0.03","93.75","0.03","102.53","0.02","860.5","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-Hydroxy-1-oxatricyclo[4.3.0^2,8^.0^3,7^]-8-undecene (compound 3)","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","2","KA1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.","Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol","Acta Crystallographica Section C","1992","48","6","1155","1160","10.1107/S0108270192002993","","","0.71069","MoKα","","","0.0351","","","0.0452","","","","","0.5248","0.5248","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000862","7.741","0.001","21.032","0.011","6.05","0.001","90","","99.43","0.01","90","","971.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","9,10-Epoxy-3-hydroxy-1-oxatricyclo[4.4.0^2,9^.0^3,8^]dodecane compound (4)","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","KA1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.","Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol","Acta Crystallographica Section C","1992","48","6","1155","1160","10.1107/S0108270192002993","","","1.54178","CuKα","","","0.0475","","","0.0787","","","","","1.0944","1.0944","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000863","4.752","0.001","11.721","0.004","4.971","0.001","90","","90","","90","","276.88","0.12","","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- F4 In Li -","- F4 In Li -","- F16 In4 Li4 -","4","0.5","DU0320","Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P.","Structure of lithium tetrafluoroindate","Acta Crystallographica Section C","1992","48","5","769","771","10.1107/S0108270191011915","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000864","8.849","0.002","3.937","0.001","14.348","0.005","90","","90","","90","","499.9","0.2","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Se3 Zr -","- Eu Se3 Zr -","- Eu4 Se12 Zr4 -","4","0.5","ST0540","Mar, A.; Ibers, J. A.","Structure of europium zirconium selenide, EuZrSe~3~","Acta Crystallographica Section C","1992","48","5","771","773","10.1107/S0108270191011599","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000865","5.952","0.001","13.576","0.002","7.908","0.001","90","","90.53","0.01","90","","638.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co D8 O8 S -","- Co D8 O8 S -","- Co4 D32 O32 S4 -","4","1","AB0252","Kellersohn, T.","Structure of cobalt sulfate tetrahydrate","Acta Crystallographica Section C","1992","48","5","776","779","10.1107/S0108270191012003","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"2000866","14.37","0.003","14.99","0.003","13.324","0.003","110.3","0.02","94.91","0.02","110.38","0.02","2452.8","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Mo O11 P2 S -","- C51 H50 Mo O11 P2 S -","- C102 H100 Mo2 O22 P4 S2 -","2","1","BR0008","Gibson, D. H.; Richardson, J. F.; Franco, J. O.","Dicarbonyl(η^5^-cyclopentadienyl)(triphenylphosphite)[(triphenylphosphonio)methanide]molybdenum <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1992","48","5","782","785","10.1107/S0108270191011824","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000867","14.457","0.004","21.38","0.006","10.209","0.003","90","","90","","90","","3155.5","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C28 H42 N3 O9 Tc -","- C28 H29 N4 O10 Tc -","- C112 H116 N16 O40 Tc4 -","4","1","CD0058","Rochon, F. D.; Melanson, R.; Kong, P.-C.","Structure of bis(4-nitro-1,2-catecholato)oxotechnetium(V)","Acta Crystallographica Section C","1992","48","5","785","788","10.1107/S010827019101185X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000868","17.094","0.002","16.842","0.001","15.198","0.002","90","","123","0.01","90","","3669.6","0.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 H10 Mg N4 O6 -","- C4 H10 Mg N4 O6 -","- C64 H160 Mg16 N64 O96 -","16","2","AS0495","Yamagata, K.; Achiwa, N.; Hashimoto, M.; Koyano, N.; Ridwan; Iwata, Y.; Shibuya, I.","Magnesium formate-urea (1/2)","Acta Crystallographica Section C","1992","48","5","793","795","10.1107/S0108270191012301","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000869","15.204","0.003","12.825","0.002","11.006","0.002","84.18","0.02","110.18","0.02","105.22","0.02","1943.5","0.7","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cu2 N6 O15 -","- C40 H32 Cu2 N6 O15 -","- C80 H64 Cu4 N12 O30 -","2","1","AL0502","Aguiló, M.; Solans, X.; Castro, I.; Faus, J.; Julve, M.","Two different (croconato)(2,2':6',2''-terpyridyl)copper(II) complexes in one single crystal: structure of [Cu(C~15~H~11~N~3~)(H~2~O)(C~5~O~5~)][Cu(C~15~H~11~N~3~)(C~5~O~5~)].4H~2~O","Acta Crystallographica Section C","1992","48","5","802","806","10.1107/S0108270191012325","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000870","13.229","0.002","11.069","0.002","12.849","0.001","90","","117.92","0.09","90","","1662.5","1.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C17 H11 Au Br N5 -","- C17 H11 Au Br N5 -","- C68 H44 Au4 Br4 N20 -","4","1","GE0297","Ferretti, V.; Gilli, P.; Bertolasi, V.; Marangoni, G.; Pitteri, B.; Chessa, G.","Structure of bromodicyano(2,2':6',2''-terpyridine)gold(III)","Acta Crystallographica Section C","1992","48","5","814","817","10.1107/S0108270191012830","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000871","11.471","0.002","12.555","0.003","13.159","0.002","90","","91.83","0.02","90","","1894.2","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C19 H15 Cl2 O4 P -","- C19 H15 Cl2 O4 P -","- C76 H60 Cl8 O16 P4 -","4","1","HA0048","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structure of the diphenyl phosphate ester of 2,6-dichlorobenzyl alcohol","Acta Crystallographica Section C","1992","48","5","824","826","10.1107/S0108270191012131","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000872","27.83","0.016","5.82","0.003","18.389","0.015","90","","106.46","0.06","90","","2856","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","2","HA0049","Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J.","Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1992","48","5","826","829","10.1107/S0108270191012143","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000873","7.9995","0.0014","9.87","0.002","11.975","0.002","112.84","0.02","105.1","0.02","93.56","0.02","827","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C34 H48 O6 S2 -","2","1","HA0049","Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J.","Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1992","48","5","826","829","10.1107/S0108270191012143","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000874","15.415","0.003","9.003","0.002","15.454","0.003","90","","114.32","0.02","90","","1954.4","0.8","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O -","- C26 H24 O -","- C104 H96 O4 -","4","1","HA0050","Jones, P. G.; Kirby, A. J.; Percy, J. M.","Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol","Acta Crystallographica Section C","1992","48","5","829","832","10.1107/S0108270191012155","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000875","9.3638","0.0012","10.4685","0.001","12.827","0.002","90","","94.875","0.012","90","","1252.8","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","HA0050","Jones, P. G.; Kirby, A. J.; Percy, J. M.","Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol","Acta Crystallographica Section C","1992","48","5","829","832","10.1107/S0108270191012155","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000876","7.353","0.001","8.136","0.001","24.307","0.004","94.44","0.01","89.81","0.01","105.51","0.01","1396.8","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","HA0051","Kirby, A. J.; Parker, J. K.; Raithby, P. R.","Bond length and reactivity. Structure of 2-phenylethyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1992","48","5","832","834","10.1107/S0108270191012167","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000877","8.333","0.0016","5.5554","0.0016","27.182","0.007","90","","90.78","0.03","90","","1258.2","0.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H13 F2 N O3 -","- C56 H52 F8 N4 O12 -","4","1","HA0052","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","835","837","10.1107/S0108270191012179","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000878","6.0219","0.0008","14.8748","0.0014","15.1877","0.0016","90","","90","","90","","1360.4","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H12 F N O4 -","- C15 H12 F N O4 -","- C60 H48 F4 N4 O16 -","4","1","HA0052","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","835","837","10.1107/S0108270191012179","","","1.54179","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000879","11.941","0.003","7.871","0.003","15.688","0.003","90","","99.46","0.02","90","","1454.4","0.7","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H15 F O3 S -","- C15 H15 F O3 S -","- C60 H60 F4 O12 S4 -","4","1","HA0053","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","838","841","10.1107/S0108270191012180","","","1.54179","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000880","12.079","0.004","7.87","0.003","15.337","0.004","90","","98.9","0.03","90","","1440.4","0.8","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C14 H12 Cl F O3 S -","- C14 H12 Cl F O3 S -","- C56 H48 Cl4 F4 O12 S4 -","4","1","HA0053","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","838","841","10.1107/S0108270191012180","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000881","5.7308","0.0008","24.877","0.005","10.1784","0.0014","90","","91.35","0.02","90","","1450.7","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O5 S -","- C14 H12 F2 N O5 S -","- C56 H48 F8 N4 O20 S4 -","4","1","HA0053","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","838","841","10.1107/S0108270191012180","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000882","5.842","0.002","8.666","0.003","20.361","0.006","90","","96.6","0.02","90","","1024","0.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C8 H8 F N O5 S -","- C8 H8 F N O5 S -","- C32 H32 F4 N4 O20 S4 -","4","1","HA0054","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol","Acta Crystallographica Section C","1992","48","5","841","844","10.1107/S0108270191012192","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000883","5.2568","0.0009","5.7559","0.0009","36.385","0.007","90","","90","","90","","1100.9","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","HA0054","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol","Acta Crystallographica Section C","1992","48","5","841","844","10.1107/S0108270191012192","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000884","6.376","0.002","14.317","0.007","21.792","0.008","90","","92.64","0.03","90","","1987.2","1.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","HA0055","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","844","847","10.1107/S0108270191012209","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000885","12.951","0.002","10.836","0.002","14.022","0.002","90","","102.66","0.02","90","","1920","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","HA0055","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","844","847","10.1107/S0108270191012209","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000886","13.921","0.002","11.408","0.003","12.591","0.003","90","","100.61","0.02","90","","1965.4","0.8","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","HA0056","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structure of the 4-phenylbenzoate ester of <i>trans</i>-3-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","847","849","10.1107/S0108270191012210","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000887","9.424","0.005","17.177","0.009","8.321","0.003","90","","90","","90","","1347","1.1","","","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- C11 H22 O3 S -","- C11 H22 O3 S -","- C44 H88 O12 S4 -","4","1","HA0057","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","849","851","10.1107/S0108270191012222","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000888","21.081","0.003","6.0693","0.0006","10.3058","0.0016","90","","94.944","0.012","90","","1313.7","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H22 O3 S -","- C11 H22 O3 S -","- C44 H88 O12 S4 -","4","1","HA0057","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","849","851","10.1107/S0108270191012222","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000889","6.971","0.001","9.3896","0.0011","23.826","0.004","90","","93.518","","90","","1556.6","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F O2 -","- C19 H19 F O2 -","- C76 H76 F4 O8 -","4","1","HA0058","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","852","855","10.1107/S0108270191012234","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000890","16.644","0.005","9.277","0.003","12.048","0.004","90","","109.8","0.03","90","","1750.3","1","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C18 H20 F O4 P -","- C18 H20 F O4 P -","- C72 H80 F4 O16 P4 -","4","1","HA0058","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","852","855","10.1107/S0108270191012234","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000891","11.7709","0.0015","15.601","0.002","8.2119","0.0012","90","","94.728","0.015","90","","1502.9","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H17 F O3 S -","- C16 H17 F O3 S -","- C64 H68 F4 O12 S4 -","4","1","HA0058","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","852","855","10.1107/S0108270191012234","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000892","7.559","0.002","9.869","0.002","14.347","0.004","103.17","0.02","92.8","0.02","104.33","0.02","1003.4","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 F O2 -","- C23 H28 F2 O2 -","- C46 H56 F4 O4 -","2","1","HA0059","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","855","858","10.1107/S0108270191012246","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000893","17.09","0.004","7.678","0.002","10.806","0.003","90","","106.54","0.02","90","","1359.3","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C11 H21 F O3 S -","- C11 H22 F2 O3 S -","- C44 H88 F8 O12 S4 -","4","1","HA0059","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","855","858","10.1107/S0108270191012246","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000894","9.368","0.004","9.462","0.004","15.546","0.007","85.17","0.04","81.8","0.02","61.62","0.03","1199.8","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 F O2 -","- C29 H32 F2 O2 -","- C58 H64 F4 O4 -","2","1","HA0060","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","859","864","10.1107/S0108270191012258","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000895","21.194","0.004","11.155","0.002","8.3306","0.0015","90","","95.512","","90","","1960.4","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C23 H27 F O2 -","- C23 H28 F2 O2 -","- C92 H112 F8 O8 -","4","1","HA0060","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","859","864","10.1107/S0108270191012258","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000896","5.8904","0.0015","10.96","0.003","33.09","0.008","90","","90","","90","","2136.3","1","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H28 F O4 P -","- C22 H29 F2 O4 P -","- C88 H116 F8 O16 P4 -","4","1","HA0060","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","859","864","10.1107/S0108270191012258","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000897","21.127","0.003","6.2048","0.0008","10.4113","0.0015","90","","101.427","0.011","90","","1337.8","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C11 H21 F O3 S -","- C11 H22 F2 O3 S -","- C44 H88 F8 O12 S4 -","4","1","HA0060","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","859","864","10.1107/S0108270191012258","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000898","10.249","0.002","8.853","0.002","29.687","0.004","90","","90","","90","","2693.6","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H21 F O3 S -","- C11 H21 F O3 S -","- C88 H168 F8 O24 S8 -","8","1","HA0061","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","864","866","10.1107/S010827019101226X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000899","6.256","0.001","16.608","0.003","17.012","0.004","90","","94.49","0.02","90","","1762.1","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C18 H22 O2 Si -","- C18 H22 O2 Si -","- C72 H88 O8 Si4 -","4","1","HA0062","Doyle, M. J.; Kirby, A. J.; Percy, J. M.; Raithby, P. R.","Bond length and reactivity. The effect of β-silicon. Structure of the 4-phenylbenzoate ester of 2-trimethylsilylethanol","Acta Crystallographica Section C","1992","48","5","866","868","10.1107/S0108270191012271","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000900","7.9566","0.0014","13.11","0.003","20.844","0.005","96.32","0.02","90.73","0.02","90.24","0.02","2160.8","0.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 Si -","- C21 H24 N2 O6 Si -","- C84 H96 N8 O24 Si4 -","4","2","HA0063","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-silicon. Structure of the 3,5-dinitrobenzoate ester of <i>trans</i>-2-(dimethylphenylsilyl)cyclohexanol","Acta Crystallographica Section C","1992","48","5","868","871","10.1107/S0108270191012283","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000901","6.57","0.002","19.031","0.004","7.949","0.002","90","","90","","90","","993.9","0.4","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","GE0281","Giuseppetti, G.; Tadini, C.; Bettinetti, G. P.","Structures of sobrerol enantiomers and racemates. II. (±)-<i>trans</i>-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (racemic <i>trans</i>-sobrerol)","Acta Crystallographica Section C","1992","48","5","876","878","10.1107/S0108270191011150","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000902","8.484","0.002","6.859","0.002","14.95","0.005","90","","90","","90","","870","0.4","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H7 Na O8 -","- C6 H10 Na O9 -","- C24 H40 Na4 O36 -","4","0.5","AB0248","Kalsbeek, N.","Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K","Acta Crystallographica Section C","1992","48","5","878","883","10.1107/S0108270191012489","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000903","6.671","0.002","7.39","0.003","9.359","0.004","90","","100.49","0.03","90","","453.7","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C3 H3 Na O4 -","- C3 H3 Na O4 -","- C12 H12 Na4 O16 -","4","1","AB0248","Kalsbeek, N.","Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K","Acta Crystallographica Section C","1992","48","5","878","883","10.1107/S0108270191012489","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000904","11.153","0.004","14.833","0.003","19.332","0.005","90","","90","","90","","3198.1","1.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 I2 N2 O4 S2 -","- C28 H36 I2 N2 O4 S2 -","- C112 H144 I8 N8 O16 S8 -","4","1","AL0477","Anderson, M.; Gallagher, T.; Mahon, M. F.; Molloy, K. C.; Shaw, R.","Structure of (<i>Z</i>,<i>Z</i>)-3,11-diiodo-<i>N</i>,<i>N</i>-ditosyl-1,9-diazacyclohexadeca-3,11-diene","Acta Crystallographica Section C","1992","48","5","883","885","10.1107/S0108270191011782","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000905","26.085","0.007","7.211","0.002","13.653","0.006","90","","90","","90","","2568.1","1.5","","","","","","","","","","","","3","P b c n","","","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","1","PA0239","Rodier, N.; Zhang, Y. M.; Mayrargue, J.","Spiro[(2,3-époxycyclohexane)-1:4'-(2',3'-dihydro-8'-méthoxybenzo-4<i>H</i>-pyranne)]","Acta Crystallographica Section C","1992","48","5","885","887","10.1107/S0108270191011605","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000906","14.696","0.003","14.696","0.003","15.853","0.003","90","","90","","90","","3423.8","1.2","","","","","","","","","","","","4","I 41/a","I 4bw -1bw","","","","","- C20 H16 Br2 N2 -","- C20 H16 Br2 N2 -","- C160 H128 Br16 N16 -","8","","AS0544","Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K.","Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides","Acta Crystallographica Section C","1992","48","5","894","897","10.1107/S0108270191011885","","","0.71068","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000907","9.934","0.002","13.285","0.003","7.969","0.001","95.32","0.01","92.64","0.02","114.7","0.02","947.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br2 N2 O -","- C21 H20 Br2 N2 O -","- C42 H40 Br4 N4 O2 -","2","1","AS0544","Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K.","Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides","Acta Crystallographica Section C","1992","48","5","894","897","10.1107/S0108270191011885","","","0.71068","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000908","9.714","0.003","10.087","0.005","15.758","0.008","90","","91.67","0.04","90","","1543.4","1.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","AL0503","Wallis, J. D.","The first structure of a benzo[<i>b</i>][1,4]diazocine","Acta Crystallographica Section C","1992","48","5","897","899","10.1107/S0108270191012337","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000909","11.814","0.005","7.803","0.001","10.871","0.004","90","","91.41","0.04","90","","1001.8","0.6","","","","","","","","","","","","2","P 1 21 1","","","","","","- C34 H18 -","- C34 H18 -","- C68 H36 -","2","1","AS0534","Izuoka, A.; Wakui, K.; Fukuda, T.; Sato, N.; Sugawara, T.","Refined molecular structure of tetrabenzo[<i>de</i>,<i>hi</i>,<i>op</i>,<i>st</i>]pentacene","Acta Crystallographica Section C","1992","48","5","900","902","10.1107/S0108270191011800","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000910","9.799","0.001","11.853","0.001","17.316","0.002","90","","90","","90","","2011.2","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","LI0088","Begum, N. S.; Venkatesan, K.","Studies on nonlinear optical materials: structure of diphenylmethyl (<i>Z</i>)-1-(1-methylthio-2-nitrovinyl)tetrahydropyrrole-2-carboxylate","Acta Crystallographica Section C","1992","48","5","902","905","10.1107/S0108270191011836","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000911","5.074","0.003","8.611","0.003","17.476","0.004","90","","94.57","0.04","90","","761.1","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","BR0006","Tari, L. W.; Secco, A. S.","Structure of 1-acetylthymine","Acta Crystallographica Section C","1992","48","5","905","907","10.1107/S0108270191012556","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000912","13.664","0.007","16.783","0.008","16.702","0.008","90","","111.68","0.04","90","","3559","3","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C43 H36 P2 Pt -","- C43 H35 P2 Pt -","- C172 H140 P8 Pt4 -","4","1","ST0542","Abboud, K. A.; Lu, Z.; Jones, W. M.","Structure of [(1,2-η^2^)-1,3,5,7-cycloheptatetraene]bis(triphenylphosphine)platinum(0)","Acta Crystallographica Section C","1992","48","5","909","912","10.1107/S0108270191011289","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000913","11.191","0.003","11.512","0.003","13.134","0.003","65.35","0.02","77.58","0.02","66.31","0.02","1406","0.7","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H86 B2 Cl4 F8 P4 Pt2 -","- C39.6 H87.2 B2 Cl5.2 F8 P4 Pt2 -","- C39.6 H87.2 B2 Cl5.2 F8 P4 Pt2 -","1","0.5","LI0109","Litster, S. A.; Mole, L.; Redhouse, A. D.; Spencer, J. L.","Structure of di-μ-chloro-bis[1,3-bis(di-<i>tert</i>-butylphosphino)propaneplatinum(II)] tetrafluoroborate 0.8-dichloromethane solvate","Acta Crystallographica Section C","1992","48","5","913","915","10.1107/S0108270191012611","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2000914","13.192","0.005","13.192","0.005","52.83","0.02","90","","90","","120","","7962","5","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H81 Au Cl O4 P3 -","- C54 H81 Au Cl O4 P3 -","- C324 H486 Au6 Cl6 O24 P18 -","6","0.333333","ST0543","Muir, J. A.; Cuadrado, S. I.; Muir, M. M.","Structure of tris(dicyclohexylphenylphosphine)gold(I) perchlorate","Acta Crystallographica Section C","1992","48","5","915","917","10.1107/S0108270191011551","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203906","2020-10-21","18:00:00",""
"2000915","9.023","0.001","13.881","0.002","7.341","0.001","90","","97.8","0.2","90","","910.9","0.5","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C3 H6 Cl4 Cu N2 O -","- C3 H6 Cl4 Cu N2 O -","- C12 H24 Cl16 Cu4 N8 O4 -","4","1","GE0278","Valle, G.; Ettorre, R.","Structure of 2-chloroimidazolium aquatrichlorocuprate(II)","Acta Crystallographica Section C","1992","48","5","919","921","10.1107/S0108270191011757","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000916","12.123","0.002","13.851","0.003","15.028","0.003","59.99","0.02","61.53","0.02","69.15","0.02","1897.9","0.8","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Fe Ge N4 O4 -","- C40 H44 Fe Ge N4 O4 -","- C80 H88 Fe2 Ge2 N8 O8 -","2","1","PA0240","Habbou, A.; Lecomte, C.; Barbe, J. M.","Structure of tetracarbonyl[(2,3,7,8,12,13,17,18-octaethylporphinato)germanio(IV)]iron","Acta Crystallographica Section C","1992","48","5","921","923","10.1107/S0108270191012635","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2000917","12.714","0.005","14.726","0.002","7.453","0.004","90","","90","","90","","1395.4","0.9","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","CR0375","Robinson, P. D.; Hua, D. H.; Roche, D.","Structure of (2<i>R</i>,4<i>R</i>,5<i>R</i>)-2-chloro-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide","Acta Crystallographica Section C","1992","48","5","923","925","10.1107/S0108270191010727","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000918","10.063","0.001","8.206","0.001","14.856","0.001","90","","104.84","0.01","90","","1185.8","0.2","","","","","","","","","","","","6","P 1 21 1","","","","","","- C21 H28 Cl2 N O5 P -","- C21 H28 Cl2 N O5 P -","- C42 H56 Cl4 N2 O10 P2 -","2","1","AB0249","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","5","925","929","10.1107/S0108270191011721","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000919","6.502","0.001","11.393","0.001","32.739","0.001","90","","90","","90","","2425.2","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N O6 P -","- C21 H30 Cl2 N O6 P -","- C84 H120 Cl8 N4 O24 P4 -","4","1","AB0249","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","5","925","929","10.1107/S0108270191011721","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000920","8.742","0.001","10.982","0.001","17.302","0.002","90","","90","","90","","1661.1","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O9 -","- C14 H19 N O9 -","- C56 H76 N4 O36 -","4","1","LI0112","Ondráček, J.; Novotný, J.; Kefurt, K.; Havlíček, J.","Structure of 2,3,4,5-tetra-<i>O</i>-acetyl-6-amino-6-deoxy-<small>D</small>-mannonolactam","Acta Crystallographica Section C","1992","48","5","929","930","10.1107/S010827019101171X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000921","25.259","0.002","4.876","0.002","28.326","0.002","90","","96.215","0.002","90","","3468.2","1.5","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C20 H18 Br N O4 -","- C20 H18 Br N O4 -","- C160 H144 Br8 N8 O32 -","8","1","AB0225","Atkinson, A. M.; Rogers, D.","Structure of 4-bromo-13α-methyl-13aα<i>H</i>-tetrahydropseudocoptisin","Acta Crystallographica Section C","1992","48","5","931","932","10.1107/S0108270191011666","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000922","7.366","0.003","12.006","0.004","20.601","0.005","90","","90","","90","","1821.9","1.1","","","","","","","","","","","","4","P b c n","","","","","","- C21 H13 Br2 N3 -","- C21 H13 Br2 N3 -","- C84 H52 Br8 N12 -","4","0.5","HA0084","Constable, E. C.; Khan, F. K.; Marquez, V. E.; Raithby, P. R.","6,6''-Dibromo-4'-phenyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","1992","48","5","932","934","10.1107/S0108270191012015","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000923","10.186","0.001","5.546","0.001","33.232","0.002","90","","98.48","0.04","90","","1856.8","0.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","AL0492","Brito, I.; Cataldo, F.; Astudillo, L.; Rivera, P.","Structure of octabenzone","Acta Crystallographica Section C","1992","48","5","934","936","10.1107/S0108270191011496","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"2000924","7.0784","0.0008","12.1106","0.0008","22.721","0.002","90","","90","","90","","1947.7","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","ST0538","Prince, P.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 8-[(2,6-dimethoxyphenyl)ethynyl]-7-methoxy-2-naphthoate","Acta Crystallographica Section C","1992","48","5","936","938","10.1107/S0108270191011277","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000925","12.771","0.007","7.873","0.005","11.571","0.004","90","","112.47","0.03","90","","1075.1","1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O -","- C14 H9 N O -","- C56 H36 N4 O4 -","4","1","AL0513","Preut, H.; Kolev, T.; Juchnovski, I.; Bleckmann, P.","Structure of 2-cyanobenzophenone","Acta Crystallographica Section C","1992","48","5","938","940","10.1107/S0108270191012544","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000926","16.288","0.0006","7.5741","0.0003","22.6836","0.0008","90","","96.606","0.004","90","","2779.83","0.18","","","","","","","","","","","","5","I 1 2/a 1","","","","","","- C18 H28 N10 Ni O16 -","- C18 H28 N10 Ni O16 -","- C72 H112 N40 Ni4 O64 -","4","0.5","AL0511","Clegg, W.; Bharadwaj, P. K.; Mandal, S.","Structure of [Ni(OH~2~)~2~(NH~2~CH~2~CH~2~CH~2~NH~2~)~2~][picrate]~2~","Acta Crystallographica Section C","1992","48","5","942","943","10.1107/S0108270191012672","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000927","10.131","0.001","10.131","0.001","14.913","0.003","90","","90","","120","","1325.6","0.3","","","","","","","","","","","","4","P 32","","","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C60 H69 N3 O12 -","3","1","KA0008","Ribár, B.; Radivojević, P.; Gašić, O.; Kanyó, I.; Golič, L.","Structure of isocorypalmine","Acta Crystallographica Section C","1992","48","5","944","945","10.1107/S0108270191011575","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000928","7.536","0.005","9.926","0.008","23.397","0.016","90","","90","","90","","1750","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KA0010","Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Engel, P.","Structure of isocorydine","Acta Crystallographica Section C","1992","48","5","945","947","10.1107/S0108270191011587","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000929","9.232","0.003","14.561","0.001","12.446","0.003","90","","91.07","0.01","90","","1672.8","0.7","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N2 O2 P -","- C18 H21 N2 O2 P -","- C72 H84 N8 O8 P4 -","4","1","AB0242","Liu, X. L.; Sun, M.; Miao, F. M.; Feng, K. S.; Chen, R. Y.","Structure of 3,3-diethyl-1,2-diphenyl-1,4,2-diazaphospholidine-5-one 2-oxide","Acta Crystallographica Section C","1992","48","5","947","949","10.1107/S0108270191011678","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000930","16.159","0.007","17.958","0.002","16.159","0.007","90","","96.41","0.02","90","","4660","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C30 H14 N4 S2 -","- C30 H14 N4 S2 -","- C240 H112 N32 S16 -","8","2","AB0246","Thorup, N.; Hjorth, M.; Larsen, J.; Bechgaard, K.","Structure of a dibenzo[<i>d</i>,<i>d</i>']benzo[1,2-<i>b</i>:4,3-<i>b</i>']dithiophene (DBBDT) complex with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)","Acta Crystallographica Section C","1992","48","5","949","951","10.1107/S0108270191012453","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000931","12.2","0.007","16.795","0.002","16.655","0.001","90","","104.18","0.03","90","","3309","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C152 H168 N24 O8 -","8","2","LI0101","Delboni, L. F.; Oliva, G.","Structure of (3<i>R</i>,6<i>S</i>,12b<i>R</i>)-6-cyanomethyl-3-ethyl-2-oxo-1,2,3,4,7,7a,12a,12b-octahydro-6<i>H</i>-indolo[2,3-<i>a</i>]quinolizine","Acta Crystallographica Section C","1992","48","5","953","955","10.1107/S0108270191011617","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000932","9.009","0.005","7.882","0.002","15.072","0.007","90","","98.61","0.06","90","","1058.2","0.8","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","KA0007","Martin-Ramos, J. D.; Reinoso, M. D.; Navarrete, A.","Structure of (<i>E</i>)-4-hydroxyiminomethyl-1-(<i>p</i>-methoxyphenyl)imidazole","Acta Crystallographica Section C","1992","48","5","957","959","10.1107/S0108270191012064","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000933","8.486","0.002","12.387","0.003","26.244","0.005","90","","90","","90","","2758.7","1.1","","","","","","","","","","","","3","P b c 21","","","","","","- C18 H13 P -","- C18 H13 P -","- C144 H104 P8 -","8","2","CD0078","Alyea, E. C.; Ferguson, G.; Gallagher, J. F.","Structure of 5-phenyldibenzophosphole","Acta Crystallographica Section C","1992","48","5","959","961","10.1107/S0108270191014105","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","194537","2020-10-21","18:00:00",""
"2000934","13.768","0.002","9.947","0.002","9.825","0.003","110.98","0.03","105.54","0.02","94.45","0.03","1187.7","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Cl N3 -","- C12 H12 Cl N3 -","- C48 H48 Cl4 N12 -","4","2","PA0238","Bocelli, G.; Cantoni, A.","<i>N</i>-(4-Chlorobenzylidene)-2-(4-imidazolyl)ethylamine","Acta Crystallographica Section C","1992","48","5","961","963","10.1107/S0108270191012623","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000935","18.234","0.002","11.984","0.001","7.468","0.001","90","","113.95","0.02","90","","1491.4","0.4","297","","","","","","","","","","","4","C 1 2/c 1","","","","2-methyl-4,6-diphenyl-1,2,3-triazinium iodide","","- C16 H14 I N3 -","- C16 H17 I N3 -","- C64 H68 I4 N12 -","4","0.5","AS1000","Yamaguchi, K.; Itoh, T.; Okada, M.; Ohsawa, A.","2-Methyl-4,6-diphenyl-1,2,3-triazinium iodide","Acta Crystallographica Section C","1992","48","5","964","965","10.1107/S0108270192002269","","","1.5405","CuKα~1~","","","0.048","","","0.047","","","","","1.398","1.398","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000936","9.437","0.001","9.437","0.001","10.69","0.001","90","","90","","120","","824.47","0.15","295","","","","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C24 H48 N6 O12 -","3","0.5","AB1002","Rychlewska, U.","Unusual conformation of (<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyltartramide (I) and its <i>O</i>,<i>O</i>'-dibenzoyl derivative (II)","Acta Crystallographica Section C","1992","48","5","965","969","10.1107/S0108270192000921","","","1.54178","CuKα","","","0.035","","","0.05","","","","","4","4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000937","9.578","0.001","13.692","0.001","8.508","0.001","90","","102.783","0.009","90","","1088.1","0.19","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","AB1002","Rychlewska, U.","Unusual conformation of (<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyltartramide (I) and its <i>O</i>,<i>O</i>'-dibenzoyl derivative (II)","Acta Crystallographica Section C","1992","48","5","965","969","10.1107/S0108270192000921","","","1.54178","CuKα","","","0.036","","","0.05","","","","","3.4","3.4","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000938","16.495","0.007","10.841","0.006","9.118","0.004","90","","104.03","0.03","90","","1581.9","1.3","130","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C10 H22 Cu N4 O9 -","- C10 H22 Cu N4 O9 -","- C40 H88 Cu4 N16 O36 -","4","1","AB1000","Noll, B. C.; Marusak, R. A.","Structure of aqua[<i>N</i>,<i>N</i>'-ethylenebis(<i>N</i>-carbamoylmethylglycinato)]copper(II) dihydrate","Acta Crystallographica Section C","1992","48","5","969","972","10.1107/S0108270192001781","","","0.71069","MoKα","","","0.0293","","","0.0352","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000939","13.672","0.003","13.672","0.003","12.908","0.005","90","","90","","120","","2089.6","1","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","","","","","- H13.5 K5.5 O30 Sb W6 -","- K10 O33 Sb W6 -","- K20 O66 Sb2 W12 -","2","0.166667","AS0506","Naruke, H.; Yamase, T.","Structure of a photoluminescent polyoxotungstoantimonate","Acta Crystallographica Section C","1992","48","4","597","599","10.1107/S0108270191010478","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000940","7.376","0.002","12.452","0.002","12.173","0.001","90","","90.04","0.01","90","","1118","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba H8 O12 Re2 -","- Ba H8 O12 Re2 -","- Ba4 H32 O48 Re8 -","4","1","AB0240","Macíček, J.; Todorov, T.","Structure of a barium perrhenate tetrahydrate","Acta Crystallographica Section C","1992","48","4","599","603","10.1107/S0108270191011125","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000941","10.4775","0.0006","6.0856","0.0011","15.4206","0.0011","90","","102.919","0.009","90","","958.4","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2000942","10.4019","0.0007","6.049","0.0011","15.3206","0.0014","90","","102.827","0.008","90","","939.9","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2000943","10.3827","0.0007","6.039","0.0011","15.2935","0.0013","90","","102.816","0.008","90","","935","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2000944","9.829","0.001","9.829","0.001","9.829","0.001","90","","90","","90","","949.6","0.4","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- Li7 N4 Nb -","- Li7 N4 Nb -","- Li56 N32 Nb8 -","8","0.333333","CR0379","Vennos, D. A.; DiSalvo, F. J.","Structure of lithium niobium nitride","Acta Crystallographica Section C","1992","48","4","610","612","10.1107/S0108270191011654","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000945","11.668","0.0008","10.589","0.001","15.097","0.003","90","","99.754","0.009","90","","1838.3","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H22 In P -","- C21 H9 In P -","- C84 H36 In4 P4 -","4","1","AB0237","Schumann, H.; Ghodsi, T.; Esser, L.","A monomeric cyclopentadienyl indium complex. Structure of [η^5^-(diphenylphosphino)tetramethylcyclopentadienyl]indium(I)","Acta Crystallographica Section C","1992","48","4","618","620","10.1107/S0108270191010442","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000946","7.44","0.001","14.678","0.003","16.903","0.003","90","","90.845","0.001","90","","1845.7","0.6","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 Cu N4 O8 -","- C10 H26 Cl2 Cu N4 O8 -","- C40 H104 Cl8 Cu4 N16 O32 -","4","1","AS0518","Hsieh, Y.-L.; Lu, T.-H.; Liou, Y.-L.; Chung, C.-S.","Structure of perchlorato[(2<i>S</i>,6<i>R</i>,9<i>S</i>,13<i>R</i>)-2,6,9,13-tetraazatetradecane]copper(II) perchlorate","Acta Crystallographica Section C","1992","48","4","620","623","10.1107/S0108270191011174","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000947","10.698","0.002","25.533","0.004","7.315","0.002","90","","101.83","0.01","90","","1955.7","0.7","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C16 H13 Cl4 Fe N4 -","- C16 H12 Cl4 Fe N4 -","- C64 H48 Cl16 Fe4 N16 -","4","1","GE0274","Barbaro, P.; Bianchini, C.; Fochi, M.; Masi, D.; Mealli, C.","Adduct of two 1,8-naphthyridine molecules (one protonated) with tetrachloroferrate (III)","Acta Crystallographica Section C","1992","48","4","625","627","10.1107/S0108270191011149","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000948","11.31","0.003","18.146","0.011","18.926","0.004","90","","90","","90","","3884","3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C12 H31 B9 O Ru -","- C12 H31 B9 O Ru -","- C96 H248 B72 O8 Ru8 -","8","2","MU0284","Macgregor, S. A.; Welch, A. J.; Yellowlees, L. J.","5-(η-<i>p</i>-Cymene)-6-ethoxy-5-ruthena-<i>nido</i>-decaborane(12)","Acta Crystallographica Section C","1992","48","4","629","633","10.1107/S0108270191010934","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2000949","12.434","0.002","11.913","0.003","18.822","0.004","90","","115.31","0.01","90","","2520.4","0.9","","","","","","","","","","","","5","P 1 c 1","P -2yc","","","","","- C18 H38 N2 S4 Sn -","- C18 H38 N2 S4 Sn -","- C72 H152 N8 S16 Sn4 -","4","2","MU0247","Vrábel, V.; Lokaj, J.; Kellö, E.; Garaj, J.; Batsanov, A. C.; Struchkov, Yu. T.","Structure of di(<i>n</i>-butyl)bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV) at 153 K","Acta Crystallographica Section C","1992","48","4","633","635","10.1107/S0108270191010454","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000950","10.271","0.004","11.401","0.003","19.426","0.004","74.86","0.02","88.51","0.03","83.51","0.03","2181.7","1.1","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38.95 H45.9 B9 Cl1.9 O P2 Rh S -","- C38.95 H45.9 B9 Cl1.9 O P2 Rh S -","- C77.9 H91.8 B18 Cl3.8 O2 P4 Rh2 S2 -","2","1","CD0064","Murphy, M.; Spalding, T. R.; Ferguson, G.; Gallagher, J. F.","[8,8-(PPh~3~)~2~-9-(OEt)-8,7-RhSB~9~H~9~].0.95(CH~2~Cl~2~)","Acta Crystallographica Section C","1992","48","4","638","641","10.1107/S0108270191011861","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2000951","10.244","0.002","9.844","0.001","15.532","0.003","90","","92.1","0.01","90","","1565.2","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 O2 Zn2 -","- C32 H52 O2 Zn2 -","- C64 H104 O4 Zn4 -","2","0.5","CR0347","Parvez, M.; BergStresser, G. L.; Richey, Jnr, H. G.","Dimeric ethyl(2,6-di-<i>tert</i>-butylphenoxy)zinc","Acta Crystallographica Section C","1992","48","4","641","644","10.1107/S0108270191011381","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000952","6.618","0.002","9.0321","0.001","11.75","0.002","101.68","0.01","99","0.02","103.52","0.02","653.3","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Fe2 O3 -","- C14 H12 Fe2 O3 -","- C28 H24 Fe4 O6 -","2","1","ST0504","Altbach, M. I.; Fronczek, F. R.; Butler, L. G.","Structure of a new polymorph of <i>cis</i>-[(μ-CH~2~)(μ-CO){Fe(η^5^-C~5~H~5~)CO}~2~]","Acta Crystallographica Section C","1992","48","4","644","650","10.1107/S010827019101123X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000953","7.296","0.001","10.11","0.003","12.814","0.004","90.84","0.02","101.17","0.02","92.52","0.02","926.1","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cl4 N2 Zn -","- C10 H26 Cl4 N2 Zn -","- C20 H52 Cl8 N4 Zn2 -","2","1","MU0179","Guo, N.; Lin, Y.-H.; Zeng, G.-F.; Xi, S.-Q.","Structure of 1,10-diaminodecane tetrachlorozincate","Acta Crystallographica Section C","1992","48","4","650","652","10.1107/S0108270191008922","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000954","9.101","0.002","20.681","0.003","11.101","0.001","90","","93.55","0.02","90","","2085.4","0.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 Cu2 N4 O8 -","- C52 H36 Cu2 N4 O8 -","- C104 H72 Cu4 N8 O16 -","2","0.5","HE0022","Liu, S.-X.; Yu, Y.-P.","Structure of a copper complex of an α-hydroxylated acid: [Cu(C~14~H~8~O~3~)(C~12~H~8~N~2~)]~2~.2H~2~O","Acta Crystallographica Section C","1992","48","4","652","655","10.1107/S0108270191007564","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000955","9.185","0.004","11.179","0.002","8.396","0.002","103.82","0.02","105.49","0.03","99.38","0.03","782.7","0.5","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cl2 O Pt S Te -","- C11 H15 Cl2 O Pt S Te -","- C22 H30 Cl4 O2 Pt2 S2 Te2 -","2","1","BR0005","Singh, A. K.; Srivastava, V.; Dhingra, S. K.; Drake, J. E.; Bailey, J. H. E.","<i>cis</i>-Dichloro[2-(4-ethoxyphenyltelluro)ethyl methyl sulfide-<i>S</i>,<i>Te</i>]platinum(II) <i>cis</i>-PtCl~2~[Te(C~6~H~4~OC~2~H~5~)CH~2~CH~2~(CH~3~)S]","Acta Crystallographica Section C","1992","48","4","655","657","10.1107/S010827019101096X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000956","22.924","0.001","7.5051","0.0004","15.274","0.01","90","","129.071","0.003","90","","2040.2","1.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C80 H64 Br8 N8 O24 -","8","1","AL0485","De, A.","Structure of a potential anticonvulsant: 5'-bromospiro[1,3-dioxolane-2,3'-indolin]-2'-one","Acta Crystallographica Section C","1992","48","4","660","662","10.1107/S0108270191010831","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000957","8.134","0.002","8.877","0.003","16.681","0.004","90","","90.77","0.02","90","","1204.4","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","HA0065","Kohnke, F. H.; Mathias, J. P.; Stoddart, J. F.; Slawin, A. M. Z.; Williams, D. J.","<i>rel</i>-(1<i>R</i>,4<i>S</i>,5<i>R</i>,8<i>S</i>)-1,4:5,8-Diepoxy-1,4,5,8-tetrahydro-9,10-dimethylphenanthrene","Acta Crystallographica Section C","1992","48","4","663","665","10.1107/S010827019100940X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","206335","2020-10-21","18:00:00",""
"2000958","11.7413","0.0005","13.0279","0.0005","16.2332","0.0009","99.456","0.004","94.217","0.004","101.893","0.004","2381.9","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H64 Cl2 F2 O6 -","- C24.5 H31 Cl2 F O3 -","- C98 H124 Cl8 F4 O12 -","4","2","CR0324","Ammon, H. L.; Prasad, S. M.; Kumar, N.","Structure of RG-12561 dichloromethane solvate and a diastereomer","Acta Crystallographica Section C","1992","48","4","669","675","10.1107/S0108270191010077","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000959","6.054","0.002","12.931","0.002","14.838","0.003","67.7","0.02","85.75","0.02","82.85","0.02","1065.9","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 F O3 -","- C24 H31 F O3 -","- C48 H62 F2 O6 -","2","1","CR0324","Ammon, H. L.; Prasad, S. M.; Kumar, N.","Structure of RG-12561 dichloromethane solvate and a diastereomer","Acta Crystallographica Section C","1992","48","4","669","675","10.1107/S0108270191010077","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000960","12.369","0.002","5.564","0.001","23.044","0.004","90","","100.49","0.02","90","","1559.4","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C60 H68 Br4 N8 O12 -","4","1","AL0472","Kwiatkowski, W.; Karolak-Wojciechowska, J.","Structure and conformation of <i>N</i>-(morpholinomethyl)-<i>m</i>-bromophenylsuccinimide","Acta Crystallographica Section C","1992","48","4","678","680","10.1107/S0108270191010569","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000961","9.089","0.002","17.737","0.002","14.265","0.002","90","","125.65","0.02","90","","1868.7","0.7","","","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C104 H64 O16 -","8","4","AS0524","Mochida, T.; Matsumiya, S.; Izuoka, A.; Sato, N.; Sugawara, T.; Sugawara, Y.","Structure of 3-hydroxyphenalenone","Acta Crystallographica Section C","1992","48","4","680","683","10.1107/S010827019101048X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000962","7.743","0.002","12.43","0.005","12.776","0.005","90","","90.52","0.03","90","","1229.6","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","BR0004","Tari, L. W.; McKinnon, D. M.; Secco, A. S.","Structure of 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal","Acta Crystallographica Section C","1992","48","4","683","686","10.1107/S0108270191010570","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000963","9.19","0.006","19.485","0.012","9.57","0.006","90","","103.66","0.05","90","","1665.2","1.9","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C19 H21 O2 P -","- C21 H21 O2 P -","- C84 H84 O8 P4 -","4","1","AB0234","Steel, P. J.; Battiste, M. A.; Campbell, C. R.","Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols","Acta Crystallographica Section C","1992","48","4","690","693","10.1107/S0108270191010430","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000964","9.24","0.004","19.529","0.008","9.736","0.006","90","","103.88","0.04","90","","1705.5","1.5","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C19 H21 O3 P -","- C19 O4 P -","- C76 O16 P4 -","4","1","AB0234","Steel, P. J.; Battiste, M. A.; Campbell, C. R.","Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols","Acta Crystallographica Section C","1992","48","4","690","693","10.1107/S0108270191010430","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000965","5.836","0.003","11.837","0.008","13.242","0.007","75.09","0.05","81.25","0.04","83.86","0.05","871.5","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 O4 P -","- C20 O4 P -","- C40 O8 P2 -","2","1","AB0234","Steel, P. J.; Battiste, M. A.; Campbell, C. R.","Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols","Acta Crystallographica Section C","1992","48","4","690","693","10.1107/S0108270191010430","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000966","8.991","0.009","6.247","0.007","13.611","0.015","90","","92.53","0.06","90","","763.7","1.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H21 Na2 O14 P -","- C6 H21 Na2 O14 P -","- C12 H42 Na4 O28 P2 -","2","1","MU0275","Lis, T.; Weichsel, A.","Structure of disodium β-<small>D</small>-fructopyranose 1-phosphate pentahydrate","Acta Crystallographica Section C","1992","48","4","693","696","10.1107/S0108270191010922","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000967","25.442","0.008","10.051","0.003","27.062","0.01","90","","94.5","0.1","90","","6899","4","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C73 H108 O12 -","- C73 H108 O12 -","- C292 H432 O48 -","4","1","GE0280","Millini, R.; Del Piero, G.; Bracci, M.","Structure of 1,3,4,5-neopentanetetrayl tetrakis[3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate]","Acta Crystallographica Section C","1992","48","4","696","699","10.1107/S0108270191010557","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000968","11.998","0.003","12.678","0.004","12.181","0.006","90","","115.96","0.03","90","","1665.9","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 H20 P2 S5 -","- C8 H20 P2 S5 -","- C32 H80 P8 S20 -","4","1","CR0349","Gallacher, A. C.; Pinkerton, A. A.","Bis(diethylthiophosphoryl) trisulfide","Acta Crystallographica Section C","1992","48","4","701","703","10.1107/S010827019101082X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000969","6.3863","0.0008","14.346","0.002","17.247","0.002","90","","90","","90","","1580.1","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H25 N3 O4 -","- C13 H25 N3 O4 -","- C52 H100 N12 O16 -","4","1","GE0277","Puliti, R.; Mattia, C. A.; Lilley, T. H.","Structure of <i>N</i>-acetyl-<small>L</small>-leucyl-<small>L</small>-prolinamide monohydrate","Acta Crystallographica Section C","1992","48","4","709","712","10.1107/S0108270191011162","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000970","29.027","0.007","7.26","0.02","5.917","0.003","90","","101.38","0.03","90","","1222","3","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C15 H11 Br O -","- C15 H11 Br O -","- C60 H44 Br4 O4 -","4","1","CR0360","Li, Z.; Pa, F.; Su, G.","Structure of 4-bromochalcone","Acta Crystallographica Section C","1992","48","4","712","714","10.1107/S0108270191011137","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000971","12.9884","0.0005","4.6517","0.0001","20.787","0.0011","90","","102.436","0.003","90","","1226.44","0.09","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C5 H8 N2 O2 -","- C5 H10 N2 O2 -","- C40 H80 N16 O16 -","8","1","AL0499","Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Meutermans, W.","Structure of 3,5-pyrazoledimethanol: an X-ray and ^13^C solid-state NMR study","Acta Crystallographica Section C","1992","48","4","714","717","10.1107/S0108270191011228","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000972","5.638","0.003","7.828","0.002","20.045","0.003","90","","95.05","0.02","90","","881.2","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 S -","- C8 H10 O3 S -","- C32 H40 O12 S4 -","4","1","AL0512","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.; Pedersen, R. T.","Structure of 4-methoxyphenyl methyl sulfone and a redetermination of the structure of methyl phenyl sulfone","Acta Crystallographica Section C","1992","48","4","717","720","10.1107/S0108270191012520","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000973","8.172","0.002","9.095","0.002","10.844","0.013","90","","111.66","0.05","90","","749.1","1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O2 S -","- C7 H8 O2 S -","- C28 H32 O8 S4 -","4","1","AL0512","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.; Pedersen, R. T.","Structure of 4-methoxyphenyl methyl sulfone and a redetermination of the structure of methyl phenyl sulfone","Acta Crystallographica Section C","1992","48","4","717","720","10.1107/S0108270191012520","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2000974","7.199","0.001","12.157","0.002","33.888","0.002","90","","90","","90","","2965.8","0.7","","","","","","","","","","","","3","P 21 21 21","P 2 2ab","","","","","- C32 H54 O4 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","PA0243","Simon, A.; Delage, C.; Saux, M.; Chulia, A. J.; Najid, A.; Rigaud, M.","Structure of ursolic acid ethanol solvate","Acta Crystallographica Section C","1992","48","4","726","728","10.1107/S0108270191012581","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000975","4.3725","0.0001","11.679","0.0003","5.411","0.0001","90","","90","","90","","276.32","0.011","","","","","","","","","","","","4","C m c m","-C 2c 2","","","","","- Cu K0.95 O2 Sr0.05 -","- Cu K O2 Sr -","- Cu4 K4 O8 Sr4 -","4","0.25","HA0076","Abrahams, I.; Pienkowski, M. C.; Bruce, P. G.; Edwards, P. P.","Structure of potassium strontium cuprate, K~0.95~Sr~0.05~CuO~2~","Acta Crystallographica Section C","1992","48","4","731","733","10.1107/S0108270191011629","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000976","11.304","0.002","5.316","0.002","6.64","0.002","90","","90","","90","","399","0.2","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","ST0536","Serra, D. L.; Hwu, S.-J.","Structure of orthorhombic NbPO~5~","Acta Crystallographica Section C","1992","48","4","733","735","10.1107/S0108270191011265","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2000977","11.666","0.001","18.885","0.003","19.492","0.002","90","","97.07","0.01","90","","4261.7","0.9","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C44.5 H43 Cl F6 Ir P3 -","- C45 H42 Cl3 F6 Ir P3 -","- C180 H168 Cl12 F24 Ir4 P12 -","4","1","AL0495","Chaloner, P. A.; Hitchcock, P. B.; Reisinger, M.","Structure of an iridium bis(phosphine)diene complex, a catalyst for homogeneous hydrogenation","Acta Crystallographica Section C","1992","48","4","735","737","10.1107/S0108270191010521","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000978","6.892","0.001","19.692","0.002","6.439","0.001","90","","90","","90","","873.9","0.2","","","","","","","","","","","","5","I m a 2","","","","","","- C6 H8 N Na O5 -","- C6 H8 N Na O5 -","- C24 H32 N4 Na4 O20 -","4","0.5","AS0531","Minemoto, H.; Sonoda, N.; Miki, K.","Structure of sodium <i>p</i>-nitrophenolate dihydrate","Acta Crystallographica Section C","1992","48","4","737","738","10.1107/S0108270191010764","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000979","14.389","0.009","13.782","0.01","8.615","0.007","90","","123.01","0.06","90","","1433","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H54 P2 Pd -","- C24 H54 P2 Pd -","- C48 H108 P4 Pd2 -","2","0.5","AS0519","Tanaka, M.","Structure of bis(tri-<i>tert</i>-butylphosphine)palladium(0)","Acta Crystallographica Section C","1992","48","4","739","740","10.1107/S0108270191010491","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000980","8.599","0.002","12.07","0.003","14.583","0.003","90","","94.64","0.02","90","","1508.6","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H22 Cl2 Pt -","- C13 H22 Cl2 Pt -","- C52 H88 Cl8 Pt4 -","4","1","ST0537","Rheingold, A. L.; Jacobson, K. A.","Dichloro(3-isopropyl-1,2,4,5,5-pentamethylcyclopenta-1,3-diene)platinum(II)","Acta Crystallographica Section C","1992","48","4","740","741","10.1107/S0108270191010582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000981","7.007","0.001","8.468","0.002","9.537","0.004","90","","109.4","0.4","90","","533.8","1.3","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 Cl2 Co -","- C10 H11 Cl2 Co -","- C20 H22 Cl4 Co2 -","2","0.5","BX0559","Sens, I.; Ruhlandt-Senge, K.; Müller, U.","Cobaltocenium-hydrogendichlorid, [CoCp~2~]HCl~2~","Acta Crystallographica Section C","1992","48","4","742","743","10.1107/S0108270191011472","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2000982","17.757","0.003","6.1899","0.0006","15.637","0.005","90","","115.45","0.02","90","","1551.9","0.6","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H20 Br2 N4 O7 Pt S2 -","- C2 H20 Br2 N4 O7 Pt S2 -","- C8 H80 Br8 N16 O28 Pt4 S8 -","4","1","DU0315","Khodadad, P.; Rodier, N.","Bis(méthanesulfonate) de tétraammine-<i>trans</i>-dibromoplatine(IV) monohydrate","Acta Crystallographica Section C","1992","48","4","743","745","10.1107/S0108270191011393","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000983","11.0716","0.0004","11.6305","0.0004","22.6463","0.0009","90","","90","","90","","2916.12","0.19","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl5 N2 Pt Sn -","- C26 H29 Cl5 N2 Pt Sn -","- C104 H116 Cl20 N8 Pt4 Sn4 -","4","1","GE0285","Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G.","Structure of <i>a</i>-chloro-<i>b</i>-dichloromethylstannio-[<i>dc</i>,<i>ef</i>-bis(8-dimethylamino-1-naphthyl)]platinum(IV)","Acta Crystallographica Section C","1992","48","4","745","747","10.1107/S0108270191011812","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000984","15.796","0.004","7.332","0.002","14.498","0.004","90","","113.3","0.02","90","","1542.2","0.8","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","AL0501","Preut, H.; Bleckmann, P.; Kolev, T.; Juchnovski, I.","Structure of <i>N</i>-[(4-cyanophenyl)(phenyl)methylene]aniline","Acta Crystallographica Section C","1992","48","4","754","756","10.1107/S0108270191011290","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000985","10.2612","0.0008","8.167","0.0008","15.2974","0.0012","90","","108.885","0.006","90","","1212.96","0.18","","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H11 N O6 S -","- C10 H11 N O6 S -","- C40 H44 N4 O24 S4 -","4","2","ST0535","Sun, G.; Fronczek, F. R.; Gandour, R. D.","(<i>R</i>)-(1-Methyloxiranyl)methyl 4-nitrobenzenesulfonate","Acta Crystallographica Section C","1992","48","4","758","760","10.1107/S0108270191010995","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000986","8.892","0.002","5.108","0.002","18.573","0.003","90","","98.22","0.02","90","","834.9","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","LI0085","Zukerman-Schpector, J.; Castellano, E. E.; Pinto, A. D. C.; da Silva, J. F. M.; Barcellos, M. T. F. C.","Structure of 1-acetylindole-2,3-dione","Acta Crystallographica Section C","1992","48","4","760","762","10.1107/S0108270191006947","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000987","12.521","0.001","29.271","0.003","6.779","0.001","90","","90","","90","","2484.5","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C116 H168 O16 -","4","1","AS0539","Nakai, H.","Structure of a glycyrrhetinic acid derivative","Acta Crystallographica Section C","1992","48","4","762","763","10.1107/S0108270191011034","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2000988","12.8584","0.0013","5.0051","0.0002","19.381","0.002","90","","109.141","0.009","90","","1178.36","0.19","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","ST0544","Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","2-[(2,6-Dihydroxyphenyl)ethynyl]benzoic acid","Acta Crystallographica Section C","1992","48","4","763","765","10.1107/S0108270191010594","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2000989","5.9476","0.0004","8.1253","0.001","12.0198","0.0012","90","","100.938","0.007","90","","570.32","0.1","","","","","","","","","","","","3","P 1 21 1","","","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C30 H20 O8 -","2","1","ST0545","Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","3-(2,6-Dihydroxyphenyl)-1<i>H</i>-2-benzopyran-1-one","Acta Crystallographica Section C","1992","48","4","765","767","10.1107/S0108270191010600","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000990","8.588","0.001","24.28","0.003","13.992","0.002","90","","90","","90","","2917.6","0.6","","","","","","","","","","","","4","P b c a","","","","","","- C16 H11 I Te -","- C16 H11 I Te -","- C128 H88 I8 Te8 -","8","1","LI0110","Zukerman-Schpector, J.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","Structure of 3-iodo-2,5-diphenyltellurophene, C~16~H~11~ITe","Acta Crystallographica Section C","1992","48","4","767","768","10.1107/S0108270191011484","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000991","15.8556","0.0004","15.8556","0.0004","15.8556","0.0004","90","","90","","90","","3986.1","0.17","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","","","","","- Al2 O6 Sr3 -","- Al2 O6 Sr3 -","- Al48 O144 Sr72 -","24","1","ST0526","Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A.","Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica Section C","1992","48","3","414","419","10.1107/S0108270191010211","","neutron","1.4","Neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000992","13.0319","0.0001","13.0319","0.0001","13.0319","0.0001","90","","90","","90","","2213.21","0.03","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2 D12 O12 Sr3 -","- Al2 D12 O12 Sr3 -","- Al16 D96 O96 Sr24 -","8","0.0833333","ST0526","Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A.","Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica Section C","1992","48","3","414","419","10.1107/S0108270191010211","","neutron","1.4","Neutron","","","","","","","","","","","","","","","","","has coordinates","205968","2020-10-21","18:00:00",""
"2000993","15.7575","0.0019","5.7373","0.0015","11.339","0.0019","90","","111.193","0.01","90","","955.8","0.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Br H2 Na O5 -","- Br H2 Na O5 -","- Br8 H16 Na8 O40 -","8","1","CR0334","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J.","Structure of sodium perbromate monohydrate","Acta Crystallographica Section C","1992","48","3","419","424","10.1107/S0108270191010818","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000994","5.184","0.003","5.341","0.005","12.124","0.009","84.69","0.07","86.72","0.06","86.36","0.07","333.1","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 O14 P2 Zn -","- C6 H12 O14 P2 Zn -","- C6 H12 O14 P2 Zn -","1","0.5","MU0276","Lis, T.","Structure of zinc(II), magnesium(II) and manganese(II) bis(phosphoenolpyruvate) dihydrate","Acta Crystallographica Section C","1992","48","3","424","427","10.1107/S0108270191008958","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000995","5.172","0.003","5.333","0.003","12.184","0.006","85.3","0.04","86.9","0.04","86.56","0.04","333.9","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Mg O14 P2 -","- C6 H12 Mg O14 P2 -","- C6 H12 Mg O14 P2 -","1","0.5","MU0276","Lis, T.","Structure of zinc(II), magnesium(II) and manganese(II) bis(phosphoenolpyruvate) dihydrate","Acta Crystallographica Section C","1992","48","3","424","427","10.1107/S0108270191008958","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000996","5.277","0.003","5.443","0.003","12.09","0.006","83.74","0.04","86.35","0.04","85.96","0.04","343.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Mn O14 P2 -","- C6 H12 Mn O14 P2 -","- C6 H12 Mn O14 P2 -","1","0.5","MU0276","Lis, T.","Structure of zinc(II), magnesium(II) and manganese(II) bis(phosphoenolpyruvate) dihydrate","Acta Crystallographica Section C","1992","48","3","424","427","10.1107/S0108270191008958","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2000997","9.769","0.001","9.08","0.001","12.474","0.002","90","","100.98","0.08","90","","1086.2","0.4","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H18 Co N5 O6 S -","- C3 H17.5 Co N5 O6 S -","- C12 H70 Co4 N20 O24 S4 -","4","2","MU0224","Prelesnik, B.; Andjelković, K.; Juranić, N.","Structure of [(<i>S</i>)-alaninato]tetraamminecobalt(III) sulfate","Acta Crystallographica Section C","1992","48","3","427","429","10.1107/S0108270191008946","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2000998","15.794","0.002","12.02","0.003","17.119","0.002","90","","98.21","0.01","90","","3216.6","1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C24 H43 B9 P3 Rh S -","- C24 H43 B9 P3 Rh S -","- C96 H172 B36 P12 Rh4 S4 -","4","1","MU0280","Ferguson, G.; Lough, A. J.; Coughlan, S.; Spalding, T. R.","Structure of <i>nido</i>-[8,8,8-(PMe~2~Ph)~3~-8,7-RhSB~9~H~10~]","Acta Crystallographica Section C","1992","48","3","440","443","10.1107/S0108270191009721","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2000999","9.52","0.002","9.549","0.003","7.86","0.001","105.88","0.02","110.29","0.01","100.89","0.02","611.9","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H7 Na O8 -","- C14 H7 Na O8 -","- C28 H14 Na2 O16 -","2","1","ST0534","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structure of the sodium salt of 1,4,5,8-naphthalenetetracarboxylic acid 4,5-anhydride hydrate","Acta Crystallographica Section C","1992","48","3","460","465","10.1107/S0108270191010983","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001000","12.791","0.002","13.097","0.002","7.439","0.0009","90","","90","","90","","1246.2","0.3","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C9 H18 I N O2 -","- C8 H14 I N O2 -","- C32 H56 I4 N4 O8 -","4","1","AB0199","Frydenvang, K.; Jensen, B.","Structures of muscarone iodide and muscarone picrate","Acta Crystallographica Section C","1992","48","3","469","474","10.1107/S0108270191006169","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249442","2020-10-21","18:00:00",""
"2001001","6.584","0.003","23.127","0.006","11.962","0.003","91.02","0.02","104.76","0.03","90.37","0.03","1760.9","1.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 O9 -","- C15 H20 N4 O9 -","- C60 H80 N16 O36 -","4","2","AB0199","Frydenvang, K.; Jensen, B.","Structures of muscarone iodide and muscarone picrate","Acta Crystallographica Section C","1992","48","3","469","474","10.1107/S0108270191006169","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001002","10.591","0.001","11.133","0.001","13.657","0.002","90","","90","","90","","1610.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C19 H26 O4 -","- C20 H23 O5 -","- C80 H92 O20 -","4","1","AL0474","Dastidar, P.; Shankar, V. N.; Madyastha, K. M.; Guru Row, T. N.","Structure of 9α,19-dihydroxy-4-androstene-3,17-dione","Acta Crystallographica Section C","1992","48","3","486","488","10.1107/S0108270191009319","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001003","8.331","0.003","21.731","0.006","8.804","0.003","90","","95.61","0.02","90","","1586.3","0.9","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","1","MU0272","Polborn, K.; Knorr, R.; Böhrer, P.","Front strain in the structure of 2-benzylidene-1,1,3,3-tetramethylindan, a sterically congested styrene","Acta Crystallographica Section C","1992","48","3","490","492","10.1107/S0108270191008466","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001004","8.646","0.001","10.132","0.001","11.765","0.002","69.82","0.01","86.38","0.01","84.97","0.01","963","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 N4 O7 P -","- C15 N4 O7 P -","- C30 N8 O14 P2 -","2","1","BX0557","Engelhardt, U.; Simon, A.","<i>N</i>-Methyl- und <i>N</i>-Ethoxycarbonyl-substituierter Phosphor-Hydrazin-Heterocyclus mit Twist-Konformation","Acta Crystallographica Section C","1992","48","3","495","498","10.1107/S0108270191009940","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001005","6.918","0.001","12.27","0.001","9.283","0.001","90","","104.13","0.02","90","","764.14","0.17","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H16 O4 S2 -","- C18 O4 S2 -","- C36 O8 S4 -","2","0.5","AL0473","Olivé, J. L.; Saaedan, A.; El Amoudi, M. S.; Geneste, P.; Rambaud, J.; Declercq, J.-P.","Structure of the head-to-tail <i>cis</i>-<i>anti</i>-<i>cis</i> photodimer of 2-methylbenzo[<i>b</i>]thiophene 1,1-dioxide","Acta Crystallographica Section C","1992","48","3","501","503","10.1107/S0108270191009198","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001006","25.184","0.003","7.797","0.001","15.174","0.003","90","","121.05","0.01","90","","2552.6","0.7","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C26 H46 O6 -","- C26 H46 O6 -","- C104 H184 O24 -","4","1","AS0515","Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.","Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol","Acta Crystallographica Section C","1992","48","3","503","507","10.1107/S0108270191009307","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001007","25.835","0.002","8.137","0.001","15.553","0.002","90","","121.08","0.01","90","","2800.2","0.6","","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C28 H50 O6 -","- C28 H50 O6 -","- C112 H200 O24 -","4","1","AS0515","Miki, K.; Masui, A.; Kasai, N.; Goonewardena, W.; Shibakami, M.; Takemoto, K.; Miyata, M.","Structures of 1:1 addition compounds of methyl cholate with methanol and with 2-propanol","Acta Crystallographica Section C","1992","48","3","503","507","10.1107/S0108270191009307","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001008","10.512","0.002","11.203","0.002","14.469","0.002","111.49","0.01","105.74","0.01","95.82","0.01","1487.2","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Cl N4 O4 -","- C30 H35 Cl N4 O4 -","- C60 H70 Cl2 N8 O8 -","2","1","AS0520","Kuroda, R.; Shinomiya, M.","Structures of new DNA photocleaving agents: 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium chloride monohydrate (II)","Acta Crystallographica Section C","1992","48","3","512","515","10.1107/S0108270191009563","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:31",""
"2001009","9.481","0.0008","14.495","0.002","9.255","0.001","95.48","0.01","98.17","0.01","101.78","0.01","1222.2","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl N3 O5 -","- C26 H28 Cl N3 O5 -","- C52 H56 Cl2 N6 O10 -","2","1","AS0520","Kuroda, R.; Shinomiya, M.","Structures of new DNA photocleaving agents: 3,6-bis(dimethylamino)-10-[6-(4-nitrobenzoyloxy)hexyl]acridinium chloride (1) and 9-{[6-(4-nitrobenzoyloxy)hexyl]amino}acridinium chloride monohydrate (II)","Acta Crystallographica Section C","1992","48","3","512","515","10.1107/S0108270191009563","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001010","6.607","0.002","14.988","0.002","16.803","0.003","78.27","0.01","88.55","0.02","87.78","0.02","1627.7","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F6 P S16 -","- C20 F6 P S16 -","- C40 F12 P2 S32 -","2","1","CR0328","Bu, X.; Cisarova, I.; Coppens, P.; Lederle, B.; Naughton, M. J.","Structure and conductivity of a new phase of 3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene hexafluorophosphate: γ-(BEDT-TTF)~2~PF~6~","Acta Crystallographica Section C","1992","48","3","516","519","10.1107/S0108270191009320","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001011","11.596","0.002","14.757","0.003","8.126","0.001","90","","110.48","0.02","90","","1302.6","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","AL0446","Arriortua, M. I.; Urtiaga, M. K.; Domínguez, E.; Igartua, A.; Iriondo, C.; Solans, X.","(<i>E</i>)-3-Dimethylamino-1,2-diphenyl-2-propen-1-one: structure of an enaminone","Acta Crystallographica Section C","1992","48","3","528","530","10.1107/S0108270191009708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001012","6.749","0.001","9.699","0.002","19.204","0.001","90","","90","","90","","1257.1","0.3","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","","","- C32 H24 N4 O2 -","- C32 H24 N4 O2 -","- C64 H48 N8 O4 -","2","0.25","AB0239","Thorup, N.; Hjorth, M.; Christensen, J. B.; Bechgaard, K.","Structure of a charge-transfer complex of 3,8-diethyl-5,10-dimethyl-1,6-dioxapyrene (DEDMDOP) with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)","Acta Crystallographica Section C","1992","48","3","530","533","10.1107/S0108270191010284","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2001013","7.162","0.001","7.162","0.001","37.235","0.007","90","","90","","120","","1654.1","0.5","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","","","","","- B6 Ba O12 Sr -","- B6 Ba2 O12 Sr -","- B36 Ba12 O72 Sr6 -","6","0.166667","LI0063","Huang, Q.; Huang, L.; Dai, G.; Liang, J.","Structure of Sr~<i>x~</i>Ba~3{-~<i>x</i>}(B~3~O~6~)~2~ in a solid solution","Acta Crystallographica Section C","1992","48","3","539","541","10.1107/S0108270191009228","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001014","10.703","0.002","10.653","0.001","10.852","0.002","90","","118.46","0.01","90","","1087.8","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 Cl4 Co N2 -","- C3 H12 Cl4 Co N2 -","- C12 H48 Cl16 Co4 N8 -","4","1","MU0180","Guo, N.; Lin, Y.-H.; Zeng, G.-F.; Xi, S.-Q.","Structure of 1,3-propanediammonium tetrachlorocobaltate(II)","Acta Crystallographica Section C","1992","48","3","542","543","10.1107/S010827019100896X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001015","8.887","0.002","20.495","0.004","20.78","0.004","90","","90","","90","","3784.8","1.3","","","","","","","","","","","","7","P 21 n b","P -2bc 2a","33","","","","- C43 H37 Cl2 N P2 Ru S -","- C43 H37 Cl2 N P2 Ru S -","- C172 H148 Cl8 N4 P8 Ru4 S4 -","4","1","HE0034","Simpson, S. J.","(η^5^-Cyclopentadienyl)(thiocyanato-<i>N</i>)bis(triphenylphosphine)ruthenium dichloromethane solvate","Acta Crystallographica Section C","1992","48","3","544","545","10.1107/S010827019101106X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206033","2020-10-21","18:00:00",""
"2001016","13.004","0.002","10.968","0.002","11.23","0.001","114.42","0.01","87.57","0.01","112.54","0.01","1334.1","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 O3 P Rh -","- C31 H28 O3 P Rh -","- C62 H56 O6 P2 Rh2 -","2","1","AB0211","Roodt, A.; Leipoldt, J. G.; Swarts, J. C.; Steyn, G. J. J.","Structure of (3-benzylacetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl(triphenylphosphine)rhodium(I)","Acta Crystallographica Section C","1992","48","3","547","549","10.1107/S0108270191009654","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001017","11.625","0.003","14.269","0.003","15.963","0.002","90.95","0.01","100.23","0.01","101.95","0.02","2546","1","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 Fe N2 O4 P2 Ru -","- C49 H42 Fe N2 O4 P2 Ru -","- C98 H84 Fe2 N4 O8 P4 Ru2 -","2","1","MU0278","Numan, M.; Goubitz, K.; Schenk, H.; Kraakman, M. J. A.","Structure of 1,1,2,2-tetracarbonyl{<i>N</i>-[(2-pyridyl)methylidene]isopropylamine-μ-<i>N</i>^1^,2-σ-<i>N</i>^2^,1-η^2^-<i>CH</i>=<i>N</i>^1^}-1,2-bis(triphenylphosphine)ironruthenium(<i>Fe</i>-<i>Ru</i>)","Acta Crystallographica Section C","1992","48","3","549","551","10.1107/S0108270191009976","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001018","13.119","0.001","22.204","0.003","9.868","0.001","90","","90","","90","","2874.5","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H38 O9 -","- C30 H38 O9 -","- C120 H152 O36 -","4","1","AS0528","Kubota, M.; Ohba, S.; Kosemura, S.; Matsunaga, K.; Yamamura, S.","Structure of citreohybridone A","Acta Crystallographica Section C","1992","48","3","552","554","10.1107/S0108270191009770","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001019","8.758","0.005","16.795","0.006","5.646","0.004","90","","90","","90","","830.5","0.8","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C9 H7 N3 -","- C9 H7 N3 -","- C36 H28 N12 -","4","1","CR0366","Robinson, P. D.; Bausch, M. J.; Jirka, G. P.","Structure of 2-(4-aminophenyl)-1,3-propanedinitrile","Acta Crystallographica Section C","1992","48","3","554","556","10.1107/S0108270191010880","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001020","14.206","0.001","4.99","0.001","10.964","0.003","90","","111.68","0.01","90","","722.2","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H2 F10 N2 O2 -","- C14 H2 F10 N2 O2 -","- C28 H4 F20 N4 O4 -","2","0.5","AS0521","Yamaguchi, K.; Matsumura, G.; Haga, N.; Shudo, K.","Structure of <i>N</i>,<i>N</i>-bis(2,3,4,5,6-pentafluorophenyl)oxamide","Acta Crystallographica Section C","1992","48","3","558","559","10.1107/S0108270191009757","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001021","7.594","0.001","24.316","0.004","6.298","0.004","90","","96.47","0.01","90","","1155.6","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F4 N3 O -","- C12 H7 F4 N3 O -","- C48 H28 F16 N12 O4 -","4","1","AS0522","Yamaguchi, K.; Matsumura, G.; Haga, N.; Shudo, K.","Structure of <i>N</i>-(2,3,5,6-tetrafluoropyridyl)-<i>N</i>'-phenylurea","Acta Crystallographica Section C","1992","48","3","559","561","10.1107/S0108270191009769","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001022","9.131","0.002","11.629","0.009","25.203","0.007","90","","90","","90","","2676","2","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C27 H36 O6 -","- C27 H30 O6 -","- C108 H120 O24 -","4","1","AB0226","Berg, J.-E.; Wahlberg, I.","Structure of a benzoyl derivative of an epidioxy-containing tobacco cembranoid","Acta Crystallographica Section C","1992","48","3","564","566","10.1107/S0108270191010363","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","199614","2020-10-21","18:00:00",""
"2001023","9.808","0.002","8.019","0.004","13.755","0.003","90","","105.73","0.02","90","","1041.3","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C40 H72 O8 -","2","1","AB0228","Berg, J.-E.; Wahlberg, I.","Structure of a 7,8-epoxycembranoid isolated from tobacco","Acta Crystallographica Section C","1992","48","3","566","568","10.1107/S0108270191010326","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001024","12.207","0.001","14.715","0.001","11.572","0.001","90","","90","","90","","2078.6","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H29 F O4 -","- C24 H29 F O4 -","- C96 H116 F4 O16 -","4","1","CR0365","Wawrzak, Z.; Griffin, J. F.; Strong, P. D.; Duax, W. L.","Structure of 6-fluoro-1β,2β-methylene-3,20-dioxo-9β,10α-pregna-4,6-dien-17α-yl acetate","Acta Crystallographica Section C","1992","48","3","570","572","10.1107/S0108270191010715","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001025","9.976","0.004","6.96","0.004","11.906","0.004","90","","93.67","0.03","90","","825","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","ST0541","Baures, P. W.; Miski, M.; Eggleston, D. S.","Structure of sesamin","Acta Crystallographica Section C","1992","48","3","574","576","10.1107/S010827019101034X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001026","9.636","0.005","13.906","0.004","9.293","0.004","108.25","0.02","109.91","0.02","88.17","0.03","1108","0.8","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","2","MU0277","Guo, S.; Su, G.; Pan, F.; He, Y.","Structure of 4-methoxybenzophenone","Acta Crystallographica Section C","1992","48","3","576","578","10.1107/S0108270191010351","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001027","7.03","0.003","13.55","0.01","15.4","0.01","90","","114.77","0.03","90","","1332","1.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H9 Cl N2 O3 -","- C15 H9 Cl N2 O3 -","- C60 H36 Cl4 N8 O12 -","4","1","ST0539","Muir, M. M.; Cox, O.; Bernard, L.; Muir, J. A.","Structure of a styrylbenzoxazole derivative","Acta Crystallographica Section C","1992","48","3","583","585","10.1107/S0108270191011009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001028","10.122","0.001","7.826","0.001","13.715","0.001","90","","92.99","0.01","90","","1084.95","0.19","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F N O5 P -","- C21 H29 F N O5 P -","- C42 H58 F2 N2 O10 P2 -","2","1","AB0244","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and fluoro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","3","587","590","10.1107/S0108270191011204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001029","9.679","0.001","8.115","0.001","13.797","0.001","90","","98.14","0.02","90","","1072.8","0.2","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F N O5 P -","- C21 H29 F N O5 P -","- C42 H58 F2 N2 O10 P2 -","2","1","AB0244","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and fluoro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","3","587","590","10.1107/S0108270191011204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001030","5.8653","0.0002","11.1843","0.0007","15.9975","0.0012","90","","93.308","0.004","90","","1047.68","0.11","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2,3-Dideoxy-3-fluoro-β-D-erythro-pento-furanosyl)-5-fluorouracil","","- C9 H10 F2 N2 O4 -","- C9 H10 F2 N2 O4 -","- C36 H40 F8 N8 O16 -","4","2","GE0282","Everaert, D. H.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.; Van Aerschot, A.; Herdewijn, P.","Structure of a nucleoside analogue 2',3'-dideoxy-3',5-difluorouridine","Acta Crystallographica Section C","1992","48","3","590","592","10.1107/S0108270191011022","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","205898","2020-10-21","18:00:00",""
"2001031","11.419","0.005","20.749","0.008","8.946","0.003","90","","101.85","0.03","90","","2074.4","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-2-(tert-Butyl)-4-(p-chlorophenylthio)-3-(phenylacetyl)-1,3-oxazolidin-5- one","","- C21 H22 Cl N O3 S -","- C21 H22 Cl N O3 S -","- C84 H88 Cl4 N4 O12 S4 -","4","1","HL0011","Beckwith, A. L. J.; Chai, C. L. L.; Willis, A. C.","<i>cis</i>-2-(<i>tert</i>-Butyl)-4-(<i>p</i>-chlorophenylthio)-3-phenylacetyl-1,3-oxazolidin-5-one","Acta Crystallographica Section C","1992","48","3","593","594","10.1107/S0108270191014051","","","0.71069","MolybdenumKα","","0.134","0.044","","0.066","0.046","","","","1.255","1.371","1.371","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001032","5.615","0.001","5.615","0.001","18.667","0.003","90","","90","","120","","509.69","0.15","","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- K2 Mn O6 Se2 -","- K2 Mn O6 Se2 -","- K6 Mn3 O18 Se6 -","3","","BX0571","Wildner, M.","Structure of K~2~Mn(SeO~3~)~2~, a further buetschliite-type selenite","Acta Crystallographica Section C","1992","48","3","595","","10.1107/S0108270191012350","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001033","8.853","0.001","8.853","0.001","8.853","0.001","90","","90","","90","","693.86","0.14","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","","","","","- C3 Fe N O4 Tl -","- C3 Fe N O4 Tl -","- C12 Fe4 N4 O16 Tl4 -","4","0.333333","AL0488","Clarkson, L. M.; Clegg, W.; Hockless, D. C. R.; Norman, N. C.","Structure of a thallium(I) transition-metal carbonyl salt Tl[Fe(CO)~3~(NO)]","Acta Crystallographica Section C","1992","48","2","236","239","10.1107/S0108270191010405","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001034","6.408","0.001","10.752","0.001","11.134","0.002","90","","100.44","0.01","90","","754.42","0.19","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H20 Al N O14 S2 -","- C2 H16 Al N2 O14 S2 -","- C4 H32 Al2 N4 O28 S4 -","2","0.5","GE0269","Galešić, N.; Jordanovska, V. B.","Structures of dimethylammonium metal(III) sulfate hexahydrates (metal = Al, Cr)","Acta Crystallographica Section C","1992","48","2","256","258","10.1107/S0108270191009435","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001035","6.391","0.008","10.748","0.003","11.4","0.01","90","","100.87","0.06","90","","769","1.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H20 Cr N O14 S2 -","- C2 H16 Cr N2 O14 S2 -","- C4 H32 Cr2 N4 O28 S4 -","2","0.5","GE0269","Galešić, N.; Jordanovska, V. B.","Structures of dimethylammonium metal(III) sulfate hexahydrates (metal = Al, Cr)","Acta Crystallographica Section C","1992","48","2","256","258","10.1107/S0108270191009435","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001036","8.174","0.002","14.171","0.003","12.553","0.002","90","","96.25","0.01","90","","1445.4","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C6 H20 Cl4 Cu N2 -","- C6 H20 Cl4 Cu N2 -","- C24 H80 Cl16 Cu4 N8 -","4","1","ST0513","Williams, I. D.; Brown, P. W.; Taylor, N. J.","Structures of trimethylammonium tetrachlorometallates","Acta Crystallographica Section C","1992","48","2","259","263","10.1107/S0108270191010193","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001037","10.66","0.001","9.629","0.001","14.991","0.002","90","","90","","90","","1538.8","0.3","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H20 Cl4 N2 Zn -","- C9 H3 Cl4 N2 Zn -","- C36 H12 Cl16 N8 Zn4 -","4","0.5","ST0513","Williams, I. D.; Brown, P. W.; Taylor, N. J.","Structures of trimethylammonium tetrachlorometallates","Acta Crystallographica Section C","1992","48","2","259","263","10.1107/S0108270191010193","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001038","8.541","0.001","11.44","0.002","13.311","0.002","90","","90.02","0.01","90","","1300.6","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","ST0514","Williams, I. D.; Brown, P. W.; Taylor, N. J.","235 K structural phase transition in dimethylammonium tetrachlorocobaltate(II)","Acta Crystallographica Section C","1992","48","2","263","266","10.1107/S010827019101020X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001039","7.803","0.002","11.285","0.003","14.523","0.004","90","","96.11","0.02","90","","1271.6","0.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","ST0514","Williams, I. D.; Brown, P. W.; Taylor, N. J.","235 K structural phase transition in dimethylammonium tetrachlorocobaltate(II)","Acta Crystallographica Section C","1992","48","2","263","266","10.1107/S010827019101020X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001040","6.619","0.003","11.708","0.004","13.995","0.005","90","","100.15","0.03","90","","1067.6","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Cr O3 S -","- C12 H5 Cr O3 -","- C48 H20 Cr4 O12 -","4","1","HE0015","Kumar Das, P.; Mukhopadhyay, A.; Ray, S.; Bhattacharya (née Mazumdar), S.; Datta, S.; De, A.","Disorder in the structure of (η^6^-benzo[<i>b</i>]thiophene)tricarbonylchromium(0)","Acta Crystallographica Section C","1992","48","2","266","268","10.1107/S0108270191009253","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001041","9.548","0.002","15.814","0.003","10.66","0.002","90","","91.89","0.02","90","","1608.7","0.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cu N6 O2 S2 -","- C10 H18 Cu N6 O2 S2 -","- C40 H72 Cu4 N24 O8 S8 -","4","1","AS0493","Lu, T.-H.; Wang, C.-C.; Liou, Y.-L.; Chung, C.-S.","Structure of (4,7-diazadecanediamide-<i>N</i>,<i>N</i>',<i>O</i>)diisothiocyanatocopper(II)","Acta Crystallographica Section C","1992","48","2","269","271","10.1107/S0108270191009629","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001042","14.769","0.003","13.558","0.001","9.056","0.002","90","","105.281","0.003","90","","1749.2","0.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H25 Cl3 Co N5 O5 -","- C8 H25 Cl3 Co N5 O5 -","- C32 H100 Cl12 Co4 N20 O20 -","4","1","AL0478","Gatehouse, B. M.; Martin, R. L.; McLachlan, G.; Platts, S. N.; Spiccia, L.","Structure of <i>N</i>,<i>N</i>-bis(2-aminoethyl)diethylenetriamine(chloro)cobalt(III) chloride perchlorate hydrate","Acta Crystallographica Section C","1992","48","2","271","274","10.1107/S0108270191009423","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001043","40.8","0.01","10.882","0.005","10.966","0.005","90","","90","","90","","4869","3","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C6 H18 Cl2 Co N2 O2 -","- C6 H18 Cl2 Co N2 O2 -","- C96 H288 Cl32 Co16 N32 O32 -","16","4","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001044","11.742","0.004","11.291","0.003","10.404","0.003","90","","90","","90","","1379.4","0.7","","","","","","","","","","","","6","P b c n","-P 2n 2ab","","","","","- C6 H18 Co I2 N2 O2 -","- C6 H18 Co I2 N2 O2 -","- C24 H72 Co4 I8 N8 O8 -","4","0.5","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001045","9.756","0.003","10.383","0.003","6.558","0.002","90","","109.13","0.02","90","","627.6","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 Cl2 N2 O2 Zn -","- C6 H18 Cl2 N2 O2 Zn -","- C12 H36 Cl4 N4 O4 Zn2 -","2","1","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001046","11.27","0.003","11.053","0.003","10.206","0.003","90","","90","","90","","1271.3","0.6","","","","","","","","","","","","6","P b c n","-P 2n 2ab","","","","","- C6 H18 Br2 N2 O2 Zn -","- C6 H18 Br2 N2 O2 Zn -","- C24 H72 Br8 N8 O8 Zn4 -","4","0.5","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001047","15.694","0.007","7.042","0.005","22.95","0.011","90","","103.64","0.04","90","","2465","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C22 H26 N2 O8 Sn -","- C22 H26 N2 O8 Sn -","- C88 H104 N8 O32 Sn4 -","4","0.5","MU0263","Harston, P.; Howie, R. A.; Wardell, J. L.; Doidge-Harrison, S. M. S. V.; Cox, P. J.","Structure of dibutyltin bis(<i>p</i>-nitrobenzoate)","Acta Crystallographica Section C","1992","48","2","279","281","10.1107/S0108270191009964","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001048","9.29","0.003","11.16","0.004","31.529","0.009","90","","90","","90","","3268.8","1.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H23 N2 O5 P -","- C13 H23 N2 O5 P -","- C104 H184 N16 O40 P8 -","8","1","MU0248","Weichsel, A.; Lis, T.","Structure of triethylammonium phenylcarbamoyl phosphate","Acta Crystallographica Section C","1992","48","2","303","305","10.1107/S0108270191008636","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001049","12.094","0.001","14.689","0.001","7.0228","0.0004","96.991","0.006","101.856","0.004","101.361","0.007","1179.83","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","4","HE0025","Peters, D. A.; Beddoes, R. L.; Joule, J. A.","Structures of 3-methoxypyrazine 1-oxide (1<i>a</i>) and 3-methoxy-5-methylpyrazine 1-oxide (1<i>b</i>)","Acta Crystallographica Section C","1992","48","2","307","311","10.1107/S0108270191008624","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001050","8.0056","0.0005","12.714","0.0006","6.6861","0.0009","90","","90","","90","","680.53","0.11","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","HE0025","Peters, D. A.; Beddoes, R. L.; Joule, J. A.","Structures of 3-methoxypyrazine 1-oxide (1<i>a</i>) and 3-methoxy-5-methylpyrazine 1-oxide (1<i>b</i>)","Acta Crystallographica Section C","1992","48","2","307","311","10.1107/S0108270191008624","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001051","9.14","0.004","25.926","0.015","14.481","0.009","90","","93.55","0.04","90","","3425","3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 S2 -","- C21 H25.5 S2 -","- C168 H204 S16 -","8","2","CR0299","Rosenfeld, S.; Cheer, C. J.","Structure of 2,8-dithia[9](9,10)anthracenophane","Acta Crystallographica Section C","1992","48","2","311","315","10.1107/S010827019100882X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001052","9.712","0.003","15.072","0.003","10.713","0.003","90","","107.65","0.03","90","","1494.3","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O S -","- C17 H13 N3 O S -","- C68 H52 N12 O4 S4 -","4","1","MU0155","Akkurt, M.; Güldeste, A.; Soylu, H.; Altural, B.; Saripinar, E.","Structure of 1-amino-5-benzoyl-4-phenyl-1<i>H</i>-pyrimidine-2-thione","Acta Crystallographica Section C","1992","48","2","315","317","10.1107/S0108270191008910","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001053","14.972","0.003","5.141","0.001","19.853","0.003","90","","94.15","0.02","90","","1524.1","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N O4 -","- C20 H13 N O4 -","- C80 H52 N4 O16 -","4","1","HE0026","Black, S. N.; Davey, R. J.; O'Mahoney, C. A.; Williams, D. J.","Structure of 1-amino-4-hydroxy-2-phenoxy-9,10-anthracenedione","Acta Crystallographica Section C","1992","48","2","321","323","10.1107/S0108270191009381","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001054","7.586","0.002","11.429","0.004","19.592","0.008","90","","93.52","0.03","90","","1695.4","1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C17 H17 Cl N4 O2 -","- C17 H17 Cl N4 O2 -","- C68 H68 Cl4 N16 O8 -","4","1","HE0027","Black, S. N.; Davey, R. J.; Slawin, A. M. Z.; Williams, D. J.","Structure of 1-butyl-5-[(4-chlorophenyl)azo]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-3-pyridinecarbonitrile","Acta Crystallographica Section C","1992","48","2","323","325","10.1107/S0108270191009393","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001055","9.78","0.004","5.841","0.003","26.112","0.01","90","","93.02","0.03","90","","1489.6","1.1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl2 N2 -","- C17 H12 Cl2 N2 -","- C68 H48 Cl8 N8 -","4","1","AB0232","Steel, P. J.; Katritzky, A. R.; Greenhill, J. V.; Hitchings, G. J.; Zhao, X.","Structures of two 4,5-dihydro-3<i>H</i>-pyrroles (1-pyrrolines)","Acta Crystallographica Section C","1992","48","2","325","328","10.1107/S0108270191008909","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001056","12.061","0.004","7.666","0.003","17.206","0.006","90","","105.51","0.03","90","","1532.9","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O -","- C20 N O -","- C80 N4 O4 -","4","1","AB0232","Steel, P. J.; Katritzky, A. R.; Greenhill, J. V.; Hitchings, G. J.; Zhao, X.","Structures of two 4,5-dihydro-3<i>H</i>-pyrroles (1-pyrrolines)","Acta Crystallographica Section C","1992","48","2","325","328","10.1107/S0108270191008909","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001057","11.363","0.002","16.676","0.002","20.307","0.002","90","","90","","90","","3848","0.9","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C32 H21 Cl15 N2 O3 -","- C32 H21 Cl15 N2 O3 -","- C128 H84 Cl60 N8 O12 -","4","1","GE0273","Kanters, J. A.; ter Horst, E. H.; Kroon, J.; Grech, E.","Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). III. Structure of [DMANH]^+^.[pentachlorophenolate]^{-^}.[pentachlorophenol]~2~ at 100 K","Acta Crystallographica Section C","1992","48","2","328","332","10.1107/S0108270191009459","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001058","13.219","0.001","7.072","0.001","6.527","0.002","90","","97.23","0.01","90","","605.3","0.2","","","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","HA0070","Gulbis, J. M.; Mackay, M. F.; Banwell, M. G.; Lambert, J. N.","Structures of colchicine analogues. V. 2-Methoxy-5-(4-methoxyphenyl)cyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section C","1992","48","2","332","334","10.1107/S0108270191009411","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001059","8.365","0.008","22.654","0.002","13.436","0.005","90","","107.7","0.05","90","","2426","3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C4 H2 Cl10 N8 O2 P6 -","- C4 H2 Cl10 N8 O2 P6 -","- C16 H8 Cl40 N32 O8 P24 -","4","1","GE0272","van Bolhuis, F.; Meetsma, A.; van de Grampel, J. C.; Brandt, K.","Structure of 2,2'-(2,4-pyrimidinediyldioxy)bis(2,4,4,6,6-pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine) at 130 K","Acta Crystallographica Section C","1992","48","2","337","339","10.1107/S0108270191009447","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001060","6.907","0.006","10.26","0.005","10.619","0.002","104.64","0.04","91.61","0.07","104.88","0.05","700.2","0.8","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H23 N5 -","- C15 H29 N5 -","- C30 H58 N10 -","2","1","MU0281","Gessmann, R.; Petratos, K.; Hamodrakas, S. J.; Tsitsa, P.; Antoniadou-Vyza, E.","Structure of 2-amino-6-dimethylamino-4-(tricyclo[3.3.1.1^3,7^]dec-1-yl)-1,3,5-triazine","Acta Crystallographica Section C","1992","48","2","347","350","10.1107/S0108270191010235","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001061","9.348","0.001","16.604","0.002","21.992","0.003","90","","90","","90","","3413.5","0.7","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H54 O6 -","- C36 H48 O6 -","- C144 H192 O24 -","4","0.5","AS0508","Suzuki, K.; Minami, H.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene","Acta Crystallographica Section C","1992","48","2","350","352","10.1107/S0108270191010399","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001062","14.47","0.03","19.749","0.002","17.5","0.02","90","","110.6","0.1","90","","4681","12","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C49 H56 Fe N6 O4 -","- C49 H56 Fe N6 O4 -","- C196 H224 Fe4 N24 O16 -","4","1","MU0257","Goubitz, K.; Schenk, H.","6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene","Acta Crystallographica Section C","1992","48","2","359","361","10.1107/S0108270191009472","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001063","10.034","0.002","16.278","0.002","13.129","0.002","90","","112.04","0.01","90","","1987.7","0.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C36 H30 Cl4 O6 P2 Pd2 -","- C36 H30 Cl4 O6 P2 Pd2 -","- C72 H60 Cl8 O12 P4 Pd4 -","2","0.5","AL0489","Grigsby, W. J.; Nicholson, B. K.","Structure of <i>trans</i>-di-μ-chloro-dichlorobis(triphenylphosphite)dipalladium","Acta Crystallographica Section C","1992","48","2","362","364","10.1107/S0108270191009885","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001064","13.65","0.001","20.784","0.009","7.773","0.002","90","","90","","90","","2205.2","1.1","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C17 H20 Cl3 Mn N2 O9 -","- C17 H20 Cl3 Mn N2 O9 -","- C68 H80 Cl12 Mn4 N8 O36 -","4","1","AL0491","McAuliffe, C. A.; Pritchard, R. G.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.","Diaqua-<i>N</i>,<i>N</i>'-trimethylenebis(5'-chlorosalicylideneaminato)manganese(III) perchlorate monohydrate: a Schiff-base complex linked into infinite spirals by hydrogen and π bonds","Acta Crystallographica Section C","1992","48","2","364","366","10.1107/S0108270191009903","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001065","7.15","0.004","9.314","0.005","10.523","0.007","93.55","0.05","97.15","0.05","109.06","0.04","653.3","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N6 O4 S2 -","- C26 H24 Cu N6 O4 S2 -","- C26 H24 Cu N6 O4 S2 -","1","0.5","MU0282","Kožíšek, J.; Köhler, H.; Freude, B.","Bis(4-methylbenzenecyanamidosulfonato)dipyridinecopper(II)","Acta Crystallographica Section C","1992","48","2","368","369","10.1107/S0108270191009484","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001066","11.537","0.002","8.552","0.002","13.916","0.004","90","","92.39","0.02","90","","1371.8","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H42 O7 Si -","- C25 H48 O7 Si -","- C50 H96 O14 Si2 -","2","1","ST0530","Abboud, K. A.; Enholm, E. J.; Trivellas, A.","Structure of a densely oxygenated carbocycle","Acta Crystallographica Section C","1992","48","2","370","372","10.1107/S0108270191008879","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001067","13.354","0.0003","8.1671","0.0002","10.4791","0.0003","90","","91.331","0.007","90","","1142.58","0.05","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Br N O5 P -","- C21 H28 Br N O5 P -","- C42 H56 Br2 N2 O10 P2 -","2","1","AB0223","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.","Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","2","372","376","10.1107/S010827019100906X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001068","20.9469","0.0009","7.7456","0.0003","15.7571","0.0005","90","","102.013","0.005","90","","2500.54","0.17","","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C21 H33 Br N O7 P -","- C21 H33 Br N O7 P -","- C84 H132 Br4 N4 O28 P4 -","4","1","AB0223","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; Smits, J. M. M.","Structures of a pair of diastereomeric salts of ephedrine and bromo-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","2","372","376","10.1107/S010827019100906X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2001069","7.402","0.001","12.466","0.002","14.619","0.002","90","","97.25","0.01","90","","1338.2","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","HA0073","Wallet, J. C.; Gaydou, E. M.; Tinant, B.; Declercq, J.-P.; Baldy, A.","5-Methoxy-2-(2-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one (2,5'-dimethoxyflavone)","Acta Crystallographica Section C","1992","48","2","376","377","10.1107/S0108270191008557","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001070","8.702","0.004","12.063","0.002","9.711","0.004","90","","115.1","0.02","90","","923.1","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","ST0533","Grossie, D. A.; Turnbull, K.","5-Hydroxy-5-methylsydno[3,4-<i>a</i>]indole","Acta Crystallographica Section C","1992","48","2","377","379","10.1107/S0108270191009125","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001071","7.389","0.006","8.862","0.004","16.055","0.01","97.57","0.02","100.21","0.03","77.01","0.02","1003.5","1.1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 N3 O9 P2 -","- C15 H27 N3 O9 P2 -","- C30 H54 N6 O18 P4 -","2","1","CR0331","Rubin, J. R.; Swaminathan, P.; Sundaralingam, M.","Structure of the anti-malarial drug primaquine diphosphate","Acta Crystallographica Section C","1992","48","2","379","382","10.1107/S0108270191008831","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001072","8.3291","0.0005","8.3291","0.0005","17.1142","0.0014","90","","90","","120","","1028.21","0.12","","","","","","","","","","","","4","P 31","P 31","","","","","- C17 H10 Cl N3 -","- C17 H10 Cl N3 -","- C51 H30 Cl3 N9 -","3","1","CR0358","Szkaradzinska, M. B.; Roszak, A. W.; Trudell, M. L.; Cook, J. M.; Codding, P. W.","Structure of 2-chloro-7,12-dihydropyrido[3,2-<i>b</i>:5,4-<i>b</i>']diindole","Acta Crystallographica Section C","1992","48","2","382","384","10.1107/S0108270191009733","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001073","10.235","0.002","10.833","0.001","10.129","0.003","90","","90","","90","","1123.1","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","1","AS0513","Yamaguchi, K.; Matsumura, G.; Shimizu, M.; Tanaka, H.; Miyasaka, T.","Structure of 1-(β-<small>D</small>-arabinofuranosyl)-6-methylcytosine","Acta Crystallographica Section C","1992","48","2","384","385","10.1107/S0108270191008739","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001074","5.029","0.002","7.479","0.002","17.073","0.005","97.98","0.02","95.54","0.03","103.62","0.03","612.4","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C26 H24 F6 N2 O4 -","2","1","MU0271","Chinnakali, K.; Sivakumar, K.; Natarajan, S.; Mathews, I. I.","Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin","Acta Crystallographica Section C","1992","48","2","386","387","10.1107/S0108270191008478","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001075","21.078","0.001","7.036","0.002","19.603","0.001","90","","109.05","0.01","90","","2748","0.8","","","","","","","","","","","","5","C 1 2 1","C 2y","","","1-(3-Deoxy-3-phenylseleno-2,5-di-O-pivaloyl-β-D-xylofuranosyl)uracil","","- C25 H23 N2 O7 Se -","- C25 H32 N2 O7 Se -","- C100 H128 N8 O28 Se4 -","4","1","AS0514","Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T.","Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil","Acta Crystallographica Section C","1992","48","2","387","389","10.1107/S0108270191009101","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","199618","2020-10-21","18:00:00",""
"2001076","6.72","0.003","11.618","0.006","30.452","0.012","90","","90","","90","","2377.5","1.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C32 H22 O4 -","- C32 H22 O4 -","- C128 H88 O16 -","4","1","CR0337","Bryant, Jnr, G. L.; Nye, S. A.","Structure of terphenyldiol dibenzoate","Acta Crystallographica Section C","1992","48","2","389","391","10.1107/S0108270191008247","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001077","5.049","0.001","13.677","0.002","8.664","0.001","90","","94.92","0.01","90","","596.09","0.16","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 N O5 Se -","- C2 H7 N O5 Se -","- C8 H28 N4 O20 Se4 -","4","1","LI0090","Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J.","Structure of glycine-selenious acid (1/1)","Acta Crystallographica Section C","1992","48","2","391","392","10.1107/S0108270191008235","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001078","20.611","0.007","9.452","0.005","7.856","0.004","98.52","0.03","96.05","0.02","93","0.3","1501.6","1.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O4 S2 -","- C15 H11 N O4 S2 -","- C60 H44 N4 O16 S8 -","4","2","AL0486","van Veggel, F. C. J. M.; Harkema, S.","Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester","Acta Crystallographica Section C","1992","48","2","393","395","10.1107/S0108270191009083","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001079","11.319","0.003","6.5115","0.0015","18.105","0.005","90","","105.66","0.02","90","","1284.9","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","CR0352","Hynes, R. C.","Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate","Acta Crystallographica Section C","1992","48","2","395","396","10.1107/S0108270191008399","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001080","7.139","0.006","15.823","0.002","12.472","0.005","90","","103.12","0.09","90","","1372","1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H16 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","CR0362","Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.","Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)","Acta Crystallographica Section C","1992","48","2","400","402","10.1107/S0108270191009745","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001081","7.139","0.006","15.823","0.002","12.472","0.005","90","","103.12","0.09","90","","1372","1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","CR0362","Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.","Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)","Acta Crystallographica Section C","1992","48","2","400","402","10.1107/S0108270191009745","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001082","6.922","0.002","16.733","0.002","10.07","0.003","90","","96.88","0.02","90","","1158","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H38 O6 S -","- C22 H38 O6 S -","- C44 H76 O12 S2 -","2","1","HA0072","Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.","Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone","Acta Crystallographica Section C","1992","48","2","402","404","10.1107/S0108270191008545","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001083","12.947","0.003","13.814","0.004","16.186","0.005","90","","108.61","0.03","90","","2743.5","1.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C24 H45 N3 O4 Si -","- C24 H45 N3 O4 Si -","- C96 H180 N12 O16 Si4 -","4","1","HA0075","Tinant, B.; Declercq, J.-P.; Henderson, P.","<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine","Acta Crystallographica Section C","1992","48","2","404","406","10.1107/S0108270191009460","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001084","9.579","0.002","9.601","0.001","18.826","0.002","90","","103.25","0.02","90","","1685.3","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","HA0075","Tinant, B.; Declercq, J.-P.; Henderson, P.","<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine","Acta Crystallographica Section C","1992","48","2","404","406","10.1107/S0108270191009460","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001085","6.791","0.005","9.107","0.006","10.683","0.007","99.84","0.05","99.19","0.06","110.56","0.06","592","0.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cs3 H4 N27 Nd2 O2 -","- Cs3 H4 N27 Nd2 O2 -","- Cs3 H4 N27 Nd2 O2 -","1","0.5","MU0250","Starynowicz, P.","Structure of tricaesium diaquanonaazidedineodymate(III)","Acta Crystallographica Section C","1992","48","1","4","5","10.1107/S0108270191008430","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001086","5.4709","0.0009","5.683","0.0006","8.0734","0.0012","90","","88.964","0.007","90","","250.97","0.06","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F6 Mn Na3 -","- F6 Mn Na3 -","- F12 Mn2 Na6 -","2","0.5","AL0476","Englich, U.; Massa, W.; Tressaud, A.","Structure of trisodium hexafluoromanganate(III)","Acta Crystallographica Section C","1992","48","1","6","8","10.1107/S0108270191009071","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001087","7.052","0.002","7.052","0.002","11.15","0.003","90","","90","","90","","554.5","0.3","","","","","","","","","","","","4","I 4/m m m","","","","","","- Ba2 Cu2 O12 Si4 -","- Ba2 Cu2 O12 Si4 -","- Ba4 Cu4 O24 Si8 -","2","0.0625","AB0183","Janczak, J.; Kubiak, R.","Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K","Acta Crystallographica Section C","1992","48","1","8","10","10.1107/S0108270191002354","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001088","11.55","0.01","7.877","0.002","16.866","0.005","90","","90","","90","","1534.5","1.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C9 H16 Cu N4 O6 S -","- C9 H16 Cu N4 O6 S -","- C36 H64 Cu4 N16 O24 S4 -","4","1","LI0094","Haanstra, W. G.; Driessen, W. L.; Reedijk, J.","Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","1992","48","1","14","16","10.1107/S0108270191009204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001089","17.95","0.005","17.95","","10.907","0.002","90","","90","","90","","3514.3","1.2","","","","","","","","","","","","6","I -4 2 d","I -4 2bw","","","","","- C20 H49 Cl6 N8 O0.5 Zn3 -","- C20 H48 Cl6 N8 O Zn3 -","- C80 H192 Cl24 N32 O4 Zn12 -","4","0.25","MU0269","Alcock, N. W.; Berry, A.; Moore, P.","Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride","Acta Crystallographica Section C","1992","48","1","16","19","10.1107/S0108270191008454","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001090","10.404","0.004","16.454","0.005","13.539","0.005","90","","103.99","0.03","90","","2249","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Cu2 N5 O8 -","- C54 Cu2 N6 O10 -","- C108 Cu4 N12 O20 -","2","0.5","HE0010","Liu, S.-X.","Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O","Acta Crystallographica Section C","1992","48","1","22","24","10.1107/S0108270191005383","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001091","12.884","0.006","12.012","0.006","14.442","0.007","90","","101.45","0.03","90","","2190.6","1.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Fe O2 -","- C14 H14 Fe O2 -","- C112 H112 Fe8 O16 -","8","2","CR0317","Geib, S. J.; Rao, S. J.; Petter, R. C.","Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene","Acta Crystallographica Section C","1992","48","1","25","27","10.1107/S0108270191004250","","","0.71073","","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001092","8.586","0.006","8.79","0.008","8.77","0.006","68.23","0.06","62.42","0.05","86.08","0.07","540.5","0.8","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl2 Cu N4 O4 -","- C24 H20 Cl2 Cu N4 O4 -","- C24 H20 Cl2 Cu N4 O4 -","1","0.5","MU0249","Kožíšek, J.; Baran, P.; Valigura, D.","Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate","Acta Crystallographica Section C","1992","48","1","31","33","10.1107/S0108270191009642","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001093","15.011","0.003","11.316","0.004","16.155","0.002","90","","106.55","0.01","90","","2630.5","1.1","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 I2 N O2 Os P -","- C23 H24 I3 N O2 Os P -","- C92 H96 I12 N4 O8 Os4 P4 -","4","1","AS0511","Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y.","Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex","Acta Crystallographica Section C","1992","48","1","33","35","10.1107/S0108270191009149","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001094","14.027","0.002","21.127","0.003","12.229","0.002","90","","100.56","0.01","90","","3562.7","0.9","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 F6 O2 P2 Pt -","- C39 F6 O2 P2 Pt -","- C156 F24 O8 P8 Pt4 -","4","1","CD0038","Hynes, R. C.; Willis, C. J.; Payne, N. C.","A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}]","Acta Crystallographica Section C","1992","48","1","42","45","10.1107/S0108270191009265","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001095","13.482","0.001","15.926","0.004","9.827","0.002","90","","90","","90","","2110","0.7","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H28 Cl2 N P Pt -","- C20 H31 Cl2 N P Pt -","- C80 H124 Cl8 N4 P4 Pt4 -","4","1","CD0057","Payne, N. C.; Tobin, G. R.","A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)","Acta Crystallographica Section C","1992","48","1","45","48","10.1107/S0108270191009216","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001096","18.402","0.017","16.861","0.019","16.328","0.016","90","","117.04","0.07","90","","4512","8","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C18 H32 N2 O4 Sn -","- C18 H31 N2 O4 Sn -","- C144 H248 N16 O32 Sn8 -","8","1","MU0200","Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J.","Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate","Acta Crystallographica Section C","1992","48","1","51","53","10.1107/S0108270191008934","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001097","8.759","0.003","13.037","0.003","15.366","0.004","90","","90","","90","","1754.7","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H20 B9 Co -","- C15 H20 B9 Co -","- C60 H80 B36 Co4 -","4","1","MU0270","Lewis, Z. G.; Welch, A. J.","Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~","Acta Crystallographica Section C","1992","48","1","53","57","10.1107/S0108270191009058","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001098","18.097","0.004","9.714","0.002","13.845","0.001","90","","92.46","0.01","90","","2431.6","0.8","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C8 H17 Cd Cl2 N O2 -","- C8 H17 Cd Cl2 N O2 -","- C64 H136 Cd8 Cl16 N8 O16 -","8","1","AS0497","Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L.","Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)]","Acta Crystallographica Section C","1992","48","1","57","59","10.1107/S0108270191008363","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001099","11.689","0.002","22.934","0.004","11.592","0.002","90","","100.16","0.03","90","","3058.8","1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","CR0281","Chandrakantha, T. N.; Puttaraja; Nethaji, M.","Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate","Acta Crystallographica Section C","1992","48","1","60","62","10.1107/S0108270191002913","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2001100","12.795","0.002","13.178","0.002","11.092","0.002","90","","90","","90","","1870.2","0.5","","","","","","","","","","","","3","I b a m","-I 2 2c","","","","","- C10 H14 O3 -","- C10 H13 O3 -","- C80 H104 O24 -","8","0.5","CR0251","Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A.","9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern","Acta Crystallographica Section C","1992","48","1","66","70","10.1107/S010827019100330X","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001101","8.264","0.001","6.988","0.001","18.288","0.001","90","","96.27","0.01","90","","1049.8","0.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","AN0328","Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.","Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols","Acta Crystallographica Section C","1992","48","1","70","73","10.1107/S0108270191004456","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001102","12.792","0.001","8.937","0.001","13.089","0.001","90","","91.37","0.01","90","","1495.9","0.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","AN0328","Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.","Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols","Acta Crystallographica Section C","1992","48","1","70","73","10.1107/S0108270191004456","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001103","10.773","0.001","25.953","0.001","10.818","0.001","90","","90","","90","","3024.6","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C128 H144 O40 -","8","1","AN0328","Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.","Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols","Acta Crystallographica Section C","1992","48","1","70","73","10.1107/S0108270191004456","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001104","8.229","0.002","10.654","0.003","10.668","0.002","92.93","0.02","93.01","0.02","107.5","0.2","888.6","1.1","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","2","CR0297","Pyrka, G. J.; Pinkerton, A. A.","Structure of the high-temperature-melting polymorph of 2,2'-dipyridylamine","Acta Crystallographica Section C","1992","48","1","91","94","10.1107/S0108270191007163","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001105","13.32","0.004","31.654","0.015","6.991","0.003","90","","90","","90","","2948","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","AS0499","Mori, Y.; Hayakawa, A.; Maeda, K.","Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones","Acta Crystallographica Section C","1992","48","1","123","126","10.1107/S0108270191007904","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001106","9.939","0.002","10.043","0.002","9.603","0.003","114.19","0.02","96.89","0.02","106.4","0.02","807.8","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","AS0499","Mori, Y.; Hayakawa, A.; Maeda, K.","Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones","Acta Crystallographica Section C","1992","48","1","123","126","10.1107/S0108270191007904","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001107","9.095","0.001","7.087","0.001","14.149","0.002","90","","107.87","0.03","90","","868","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H31 I -","- C18 H30 I -","- C36 H60 I2 -","2","1","HA0064","Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D.","Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane","Acta Crystallographica Section C","1992","48","1","131","133","10.1107/S0108270191007758","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001108","6.8553","0.001","15.399","0.002","8.5628","0.0009","90","","95.763","0.01","90","","899.4","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","AB0222","Jerslev, B.; Larsen, S.","(<i>E</i>)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K","Acta Crystallographica Section C","1992","48","1","136","138","10.1107/S0108270191007850","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001109","10.16","0.002","12.23","0.002","12.796","0.001","105.735","0.006","99.58","0.02","90.09","0.01","1507.2","0.5","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","2","MU0236","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)","Acta Crystallographica Section C","1992","48","1","140","142","10.1107/S0108270191008211","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001110","13.978","0.01","9.638","0.008","6.338","0.011","90","","90","","90","","853.9","1.8","","","","","","","","","","","","4","P n a 21","","","","","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","1","MU0225","Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.","Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate","Acta Crystallographica Section C","1992","48","1","145","147","10.1107/S010827019100820X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191091","2020-10-21","18:00:00",""
"2001111","15.557","0.011","7.562","0.011","16.972","0.013","90","","116.69","0.05","90","","1784","3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C56 H88 N24 O32 -","8","1","MU0225","Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.","Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate","Acta Crystallographica Section C","1992","48","1","145","147","10.1107/S010827019100820X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2001112","18.232","0.003","7.613","0.001","16.842","0.004","90","","96.27","0.02","90","","2323.7","0.7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C16 H18 Cl2 Cu N8 O11 -","- C16 H20 Cl2 Cu N8 O11 -","- C64 H80 Cl8 Cu4 N32 O44 -","4","0.5","ST0503","Morgan, L. W.; Pennington, W. T.; Petersen, J. D.; Ruminski, R. R.; Bennett, D. W.; Rommel, J. S.","Structure of aquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1992","48","1","163","165","10.1107/S0108270191004602","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001113","10.422","0.001","17.294","0.002","18.581","0.003","90","","94.56","0.01","90","","3338.4","0.7","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 F15 Fe N6 P2 -","- C30 H23 F17 Fe N6 P2 -","- C120 H92 F68 Fe4 N24 P8 -","4","1","BR0002","Cho, C. K.; Secco, A. S.","Tris(4-fluoro-2,2'-bipyridyl)iron(II) hexafluorophosphate","Acta Crystallographica Section C","1992","48","1","165","167","10.1107/S0108270191008788","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001114","7.231","0.01","10.633","0.003","15.767","0.003","90","","103.94","0.05","90","","1176.6","1.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cu N4 O14 -","- C12 H24 Cl2 Cu N4 O14 -","- C24 H48 Cl4 Cu2 N8 O28 -","2","0.5","MU0207","Delacruz, X.; Martínez-Balbás, A.; Tormo, J.; Verdaguer, N.","Structure of <i>trans</i>-diaquabis[(2-oxopyrrolidin-1-yl)acetamide]copper(II) perchlorate","Acta Crystallographica Section C","1992","48","1","167","169","10.1107/S0108270191008971","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001115","9.764","0.002","10.185","0.002","19.885","0.003","80.03","0.01","87.87","0.01","61.94","0.01","1716.5","0.6","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H49 N O3 P Rh S -","- C34 H49 N O3 P Rh S -","- C68 H98 N2 O6 P2 Rh2 S2 -","2","1","AB0215","Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Lamprecht, G. J.; Preston, H.","Structure of carbonyl(4-methoxy-<i>N</i>-methylbenzothiohydroxamato-κ<i>O</i>,κ<i>S</i>)(tricyclohexylphosphine)rhodium(I) benzene solvate","Acta Crystallographica Section C","1992","48","1","169","171","10.1107/S0108270191008405","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001116","11.99","0.001","6.195","0.001","20.906","0.003","90","","92.857","0.01","90","","1550.9","0.4","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H14 N2 O6 P Rh -","- C12 H14 N2 O6 P Rh -","- C48 H56 N8 O24 P4 Rh4 -","4","1","AB0217","Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Venter, J. A.","Structure of carbonyl(<i>N</i>-hydroxy-<i>N</i>-nitrosobenzenaminato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane)rhodium(I)","Acta Crystallographica Section C","1992","48","1","171","173","10.1107/S0108270191008223","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001117","11.086","0.002","11.086","0.002","14.367","0.004","90","","90","","120","","1529.1","0.6","","","","","","","","","","","","5","P 31","P 31","","","","","- C21 H30 Cl N2 O -","- C21 H29 Cl N2 O -","- C63 H87 Cl3 N6 O3 -","3","1","LI0074","McKenna, R.; Agbandje, M.; Neidle, S.","Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine","Acta Crystallographica Section C","1992","48","1","188","190","10.1107/S0108270191009113","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001118","10.167","0.004","11.092","0.002","10.278","0.004","90","","115.22","0.02","90","","1048.6","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 S5 -","- C7 H10 S5 -","- C28 H40 S20 -","4","1","MU0255","Pickardt, J.; Kustos, M.; Steudel, R.","Structure of a norbornanepolysulfane: <i>exo</i>-3,4,5,6,7-pentathiatricyclo[7.2.1.0^2,8^]dodecane","Acta Crystallographica Section C","1992","48","1","190","191","10.1107/S0108270191008715","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001119","8.403","0.004","5.405","0.003","33.005","0.016","90","","91.07","0.04","90","","1498.8","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H18 N2 O2 -","- C18 H19 N2 O2 -","- C72 H76 N8 O8 -","4","1","AS0500","Ishida, T.; Negi, A.; In, Y.; Inoue, M.","Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide","Acta Crystallographica Section C","1992","48","1","193","194","10.1107/S0108270191009599","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001120","16.381","0.003","7.042","0.001","18.157","0.004","90","","113.02","0.03","90","","1927.7","0.8","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C80 H64 N16 O32 -","8","2","CR0340","Kwiatkowski, W.; Karolak-Wojciechowska, J.","Structure of <i>m</i>-nitrophenylsuccinimide","Acta Crystallographica Section C","1992","48","1","204","206","10.1107/S0108270191008843","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001121","7.145","0.008","10.866","0.005","11.006","0.006","90","","107.53","0.06","90","","814.8","1.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H7 N3 -","- C9 H10 N3 -","- C36 H40 N12 -","4","1","HE0024","Alvarez-Larena, A.; Piniella, J. F.; Borrell, J. I.; Vidal-Ferran, A.; Victory, P.; Germain, G.","Structure of 2-amino-5-methylisophthalonitrile","Acta Crystallographica Section C","1992","48","1","208","209","10.1107/S010827019100865X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001122","8.331","0.004","24.066","0.008","5.663","0.002","90","","90","","90","","1135.4","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","MU0212","Su, G.; Guo, S.; Pan, F.; He, Y.","Structure of 4-amino-4'-methylbenzophenone","Acta Crystallographica Section C","1992","48","1","210","211","10.1107/S0108270191008983","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176340","2020-10-21","18:00:00",""
"2001123","13.525","0.007","7.549","0.004","13.646","0.007","90","","90.02","0.04","90","","1393.3","1.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","2","ST0527","Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S.","Structure of hymenoratin","Acta Crystallographica Section C","1992","48","1","211","213","10.1107/S0108270191008867","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001124","5.206","0.002","17.294","0.004","10.972","0.002","90","","98.91","0.01","90","","975.9","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H N O4 -","- C42 H2 N2 O8 -","2","1","MU0261","Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S.","Structure of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-phenylalanine benzyl ester","Acta Crystallographica Section C","1992","48","1","216","217","10.1107/S0108270191007771","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001125","14.662","0.004","10.79","0.002","7.749","0.002","90","","104.55","0.02","90","","1186.6","0.5","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)-1-phenylethanone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","AL1007","Preut, H.; Kolev, T.; Bleckmann, P.; Juchnovski, I.","Structure of 2-(4-nitrophenyl)-1-phenylethanone","Acta Crystallographica Section C","1992","48","6","1154","1155","10.1107/S010827019200310X","","","0.71073","MoKα","","","0.044","","","0.048","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001126","8.9319","0.0006","5.7057","0.0006","12.465","0.002","90","","110.7","0.01","90","","594.24","0.13","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H11 Cl Hg N2 O5 -","- C9 H9 Cl Hg N2 O5 -","- C18 H18 Cl2 Hg2 N4 O10 -","2","1","GR1008","Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E.","Structure of 5-chloromercurio-2'-deoxyuridine","Acta Crystallographica Section C","1993","49","12","2047","2049","10.1107/S0108270193007565","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001127","9.285","0.006","5.373","0.002","11.981","0.006","90","","112.09","0.04","90","","553.8","0.5","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","","","","","- C14 H18 -","- C14 H18 -","- C28 H36 -","2","0.5","HU1011","Yufit, D. S.; Struchkov, Yu. T.; Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.","Structure of 1,2-bis(spiro[2.3]hex-4-ene-4-yl)ethane","Acta Crystallographica Section C","1993","49","12","2049","2051","10.1107/S0108270192012800","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001128","4.4204","0.0005","9.136","0.001","11.762","0.002","101.61","0.01","96.2","0.01","92.28","0.01","461.64","0.11","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C3 S8 -","- C3 S8 -","- C6 S16 -","2","1","VS1006","Baumer, V. N.; Starodub, V. A.; Batulin, V. P.; Lakin, E. E.; Kuznetsov, V. P.; Dyachenko, O. A.","Structure of 4,5-(pentasulfane-1,5-diyl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1993","49","12","2051","2053","10.1107/S0108270193004184","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001129","5.164","0.001","5.164","0.001","10.741","0.002","90","","90","","90","","286.43","0.09","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- F4 Li Y -","- F4 Li Y -","- F16 Li4 Y4 -","4","0.25","HH0619","Garcia, E.; Ryan, R. R.","Structure of the laser host material LiYF~4~","Acta Crystallographica Section C","1993","49","12","2053","2054","10.1107/S0108270193005876","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","203896","2020-10-21","18:00:00",""
"2001130","10.0636","0.0017","10.405","0.002","11.9671","0.0015","96.552","0.015","108.031","0.011","90.498","0.014","1182.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","2","CD1029","Hambalek, R. J.; Hynes, R. C.; Just, G.","Structure of (±)-<i>exo</i>-4'-hydroxy-<i>exo</i>-6'-hydroxymethyl-<i>endo</i>-3'-thymin-1-yl-2',7'-dioxabicyclo[3.2.0]heptane","Acta Crystallographica Section C","1993","49","12","2055","2056","10.1107/S0108270193004962","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001131","9.188","0.001","3.717","0.001","13.839","0.001","90","","90","","90","","472.63","0.14","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","tinzirconiumtrisulfide","","- S3 Sn Zr -","- S3 Sn Zr -","- S12 Sn4 Zr4 -","4","0.5","AB1082","Meetsma, A.; Wiegers, G. A.; de Boer, J. L.","Structure determination of SnZrS~3~","Acta Crystallographica Section C","1993","49","12","2060","2062","10.1107/S0108270193005888","","","0.71073","MoKα","","","0.038","","","0.031","","","","","2.19","2.19","","","","","has coordinates","207947","2020-10-21","18:00:00",""
"2001132","6.6858","0.0008","6.6858","0.0008","24.147","0.003","90","","90","","90","","1079.4","0.4","294","","","","","","","","","","","3","P 41","P 4w","76","","","","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca16 O56 P16 -","8","2","DU1046","Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Redetermination of the β-Ca~2~P~2~O~7~ structure","Acta Crystallographica Section C","1993","49","12","2062","2064","10.1107/S0108270193005608","","","0.71073","MoKᾱ","","","0.031","","","0.034","","","","","1.001","1.001","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001133","11.485","0.003","6.549","0.002","15.774","0.007","90","","103.72","0.03","90","","1152.6","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- Cl5 H15 N4 O Pt -","- Cl5 H15 N4 O Pt -","- Cl20 H60 N16 O4 Pt4 -","4","1","PA1046","Balde, L.; Khodadad, P.; Rodier, N.; Julien, R.","Chlorure de triamminetrichloroplatine(IV) chlorure d'ammonium monohydrate","Acta Crystallographica Section C","1993","49","12","2064","2065","10.1107/S0108270193005165","","","0.7107","MoKᾱ","","","0.048","","","0.057","","","","","1.87","1.87","","","","","has coordinates","187340","2020-10-21","18:00:00",""
"2001134","16.563","0.002","8.111","0.001","9.458","0.002","90","","90","","90","","1270.6","0.3","294","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 H15 Ir N5 Pt -","- Cl5 H15 Ir N5 Pt -","- Cl20 H60 Ir4 N20 Pt4 -","4","0.5","DU1026","Garnier, E.; Bele, M.","Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)","Acta Crystallographica Section C","1993","49","12","2066","2067","10.1107/S0108270193005037","","","0.71069","MoKα","","","0.0282","","","0.0302","","","","","1.537","1.537","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001135","8.39","0.001","15.585","0.001","13.058","0.001","90","","92.22","0.01","90","","1706.2","0.3","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N8 O6 -","- C12 H12 Cu N8 O10 -","- C48 H48 Cu4 N32 O40 -","4","1","CD1045","Otieno, T.; Rettig, S. J.; Thompson, R. C.; Trotter, J.","Structure of (nitrato-<i>O</i>)(nitrato-<i>O</i>,<i>O</i>')tris(pyridazine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1993","49","12","2067","2070","10.1107/S0108270193004986","","","1.54178","CuKα","","","0.036","","","0.038","","","","","2.83","2.83","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001136","12.756","0.002","14.451","0.002","9.805","0.001","90","","105.69","0.01","90","","1740.1","0.4","297","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu2 N2 O5 -","- C18 H16 Cu2 N2 O5 -","- C72 H64 Cu8 N8 O20 -","4","1","OH1028","Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T.","Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)]","Acta Crystallographica Section C","1993","49","12","2070","2072","10.1107/S0108270193004779","","","0.71073","MoKα","","","0.047","","","0.046","","","","","4.65","4.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001137","14.297","0.005","13.078","0.003","30.301","0.006","90","","92.8","0.02","90","","5659","3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H87 B P4 Pt2 -","- C56 H92 B P4 Pt2 -","- C224 H368 B4 P16 Pt8 -","4","1","NA1031","Bachechi, F.; Mura, P.; Zambonelli, L.","Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]","Acta Crystallographica Section C","1993","49","12","2072","2074","10.1107/S0108270193005220","","","1.54178","CuKα","","","0.059","","","0.066","","","","","7.03","7.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001138","21.143","0.011","17.911","0.002","20.415","0.003","90","","107.83","0.02","90","","7360","4","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H32 Cl2 P2 W -","- C22 H32 Cl2 P2 W -","- C264 H384 Cl24 P24 W12 -","12","3","HL1028","Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.","The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]","Acta Crystallographica Section C","1993","49","12","2074","2079","10.1107/S0108270193005402","","","0.71069","MoKα","","","0.048","","","0.061","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001139","12.208","0.002","12.27","0.002","21.498","0.006","90","","94.81","0.02","90","","3208.9","1.2","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C34 H38 Cl2 P2 W -","- C34 H38 Cl2 P2 W -","- C136 H152 Cl8 P8 W4 -","4","1","HL1028","Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.","The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]","Acta Crystallographica Section C","1993","49","12","2074","2079","10.1107/S0108270193005402","","","0.71069","MoKα_Zr_filter","","","0.028","","","0.033","","","","","1.04","1.04","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001140","9.355","0.002","14.678","0.002","14.685","0.004","101.82","0.02","93.01","0.02","108.36","0.02","1858.3","0.8","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl2 O P Pt -","- C18 H17 Cl2 O P Pt -","- C72 H68 Cl8 O4 P4 Pt4 -","4","2","ST1054","Rath, N. P.; Fallis, K. A.; Anderson, G. K.","Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","12","2079","2081","10.1107/S0108270193005189","","","0.71073","MoKα","","","0.0713","","","0.0884","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001141","11.634","0.002","12.172","0.001","10.056","0.002","114.099","0.009","115.05","0.01","92.81","0.01","1134.4","0.4","296.1","","23","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Cr2 N4 O12 P4 -","- C32 H56 Cr2 N4 O12 P4 -","- C32 H56 Cr2 N4 O12 P4 -","1","0.5","BR1030","Jasinski, J. P.; Pozdniakov, R. Y.; Wong, E. H.","Structure of a dichromium octacarbonyl complex of cyclotetrakis[bis(diisopropylamino)phosphoxane]","Acta Crystallographica Section C","1993","49","12","2081","2083","10.1107/S0108270193004111","","","0.7107","MoKα","","","0.0423","","","0.0518","","","","","2.239","2.239","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001142","7.576","0.003","8.212","0.002","11.242","0.005","86.84","0.03","74.62","0.03","85.38","0.05","671.8","0.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N6 O8 Rh2 -","- C24 H26 N6 O8 Rh2 -","- C24 H26 N6 O8 Rh2 -","1","0.5","DU1036","Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C.","Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II)","Acta Crystallographica Section C","1993","49","12","2084","2086","10.1107/S0108270193005049","","","0.71069","MoKα","","","","","","","","","","","2.1","2.1","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001143","13.003","0.003","13.639","0.004","9.861","0.002","110.26","0.02","100.94","0.02","109.35","0.02","1453.5","0.8","294","","","","","","","","","","","6","P 1","P 1","1","","","","- C30 H66 Cl6 Er2 N6 O42 -","- C30 H66 Cl6 Er2 N6 O48 -","- C30 H66 Cl6 Er2 N6 O48 -","1","1","OH1031","Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.","Structure of an erbium complex with <small>L</small>-proline","Acta Crystallographica Section C","1993","49","12","2086","2089","10.1107/S0108270193005311","","","0.71069","MoKα","","","0.024","","","0.028","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001144","13.381","0.012","8.91","0.009","9.178","0.009","90","","101.27","0.09","90","","1073.1","1.8","80","1","80","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","di-μ-chlorobis[trichloro(allyl acetate-O)]dititanium(IV)","","- C10 H16 Cl8 O4 Ti2 -","- C10 H16 Cl8 O4 Ti2 -","- C20 H32 Cl16 O8 Ti4 -","2","0.5","KA1046","Lis, T.; Utko, J.; Sobota, P.","Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K","Acta Crystallographica Section C","1993","49","12","2089","2091","10.1107/S0108270193006110","","","0.7093","MoKα","","","0.0258","","","0.028","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001145","12.878","0.005","19.311","0.009","14.387","0.008","90","","112.56","0.04","90","","3304","3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 O24 Pd6 S12 -","- C36 H60 O24 Pd6 S12 -","- C72 H120 O48 Pd12 S24 -","2","0.5","SH1051","Schneider, I.; Hörner, M.; Olendzki, R. N.; Strähle, J.","Structure of <i>cyclo</i>-hexakis[bis-μ-(methoxycarbonylmethylthiolato)-palladium(II)], [Pd(SCH~2~COOCH~3~)~2~]~6~","Acta Crystallographica Section C","1993","49","12","2091","2093","10.1107/S0108270193005657","","","0.71069","MoKα","","","0.033","","","0.043","","","","","1.657","1.657","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001146","17.06","0.002","7.088","0.002","15.332","0.002","90","","91.76","0.01","90","","1853.1","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 K3 N2 O12 -","- C14 H11 K3 N2 O12 -","- C56 H44 K12 N8 O48 -","4","1","OH1023","Nakamura, N.; Kohzuma, T.; Kuma, H.; Suzuki, S.","Structure of a tripotassium pyrroloquinoline quinone salt","Acta Crystallographica Section C","1993","49","12","2093","2095","10.1107/S0108270193005530","","","1.54178","CuKα","","","0.056","","","0.06","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001147","11.782","0.002","12.524","0.002","7.041","0.002","95.49","0.02","98.01","0.02","84.71","0.02","1020.8","0.4","298","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 Cu2 O10 -","- C40 H48 Cu2 O10 -","- C40 H48 Cu2 O10 -","1","0.5","AS1036","Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.","Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine","Acta Crystallographica Section C","1993","49","12","2095","2100","10.1107/S0108270193005359","","","0.71073","MoKα","","","0.047","","","0.054","","","","","1.94","1.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001148","13.033","0.001","22.608","0.003","16.703","0.001","90","","90.76","0.01","90","","4921.1","0.8","298","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H68 Cu2 N2 O8 -","- C27 H31 Cu N O4 -","- C108 H124 Cu4 N4 O16 -","4","1","AS1036","Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.","Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine","Acta Crystallographica Section C","1993","49","12","2095","2100","10.1107/S0108270193005359","","","0.71073","MoKα","","","0.047","","","0.041","","","","","1.57","1.57","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001149","19.928","0.004","10.982","0.002","10.017","0.002","90","","97.98","0.02","90","","2171","0.7","300","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Cu N2 O4 -","- C54 H48 Cu N2 O4 -","- C108 H96 Cu2 N4 O8 -","2","0.5","AS1036","Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.","Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine","Acta Crystallographica Section C","1993","49","12","2095","2100","10.1107/S0108270193005359","","","0.71073","MoKα","","","0.056","","","0.054","","","","","1.61","1.61","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001150","12.76","0.006","5.319","0.004","14.933","0.008","90","","91.05","0.04","90","","1013.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H22 Co O14 -","- C16 H22 Co O14 -","- C32 H44 Co2 O28 -","2","0.5","HU1032","Kariuki, B. M.; Jones, W.","Structure of hexaaquacobalt hydrogen phthalate","Acta Crystallographica Section C","1993","49","12","2100","2102","10.1107/S0108270193005918","","","0.71069","MoKα","","","0.056","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001151","16.562","0.001","9.704","0.001","36.591","0.002","90","","92.21","0.01","90","","5876.4","0.8","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","FeBAMP","Bis(2,6-diaminomethylpyridine)Fe(II)Dichloride . 1.67Hydrate","","- C14 H25.33 Cl2 Fe N6 O1.67 -","- C14 H25.3333 Cl2 Fe N6 O1.66667 -","- C168 H304 Cl24 Fe12 N72 O20 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.029","0.029","","0.046","0.049","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001152","16.477","0.002","9.677","0.001","36.534","0.005","90","","91.9","0.01","90","","5822.1","1.2","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","NiBAMP","Bis(2,6-diaminomethylpyridine)Ni(II)Dichloride 1.67Hydrate","","- C14 H25.33 Cl2 N6 Ni O1.67 -","- C14 H25.3333 Cl2 N6 Ni O1.66667 -","- C168 H304 Cl24 N72 Ni12 O20 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.036","0.036","","0.051","0.051","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001153","16.54","0.001","9.709","0.001","36.607","0.002","90","","92.01","0.01","90","","5875","0.8","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ZnBAMP","Bis(2,6-diaminomethylpyridine)Zn(II)Dichloride . 1.67Hydrate","","- C14 H25.33 Cl2 N6 O1.67 Zn -","- C14 H25.3333 Cl2 N6 O1.66667 Zn -","- C168 H304 Cl24 N72 O20 Zn12 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.036","0.036","","0.091","0.091","","","","","1.73","1.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001154","13.01","0.001","9.162","0.001","15.669","0.002","90","","93.251","0.009","90","","1864.7","0.3","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","MnBAMP","Bis(2,6-diaminomethylpyridine)Mn(II)Dichloride Monohydrate","","- C14 H24 Cl2 Mn N6 O -","- C14 H24 Cl2 Mn N6 O -","- C56 H96 Cl8 Mn4 N24 O4 -","4","0.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.034","0.034","","0.064","0.064","","","","","0.6","0.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001155","8.758","0.002","26.749","0.005","17.32","0.003","90","","90","","90","","4057.5","1.4","294","1","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","CoBAMP","Bis(2,6-diaminomethylpyridine)Co(III)Trichloride Hemihydrate","","- C14 H22 Cl3 Co N6 O0.5 -","- C14 H22 Cl3.5 Co N6 O -","- C112 H176 Cl28 Co8 N48 O8 -","8","1","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.072","0.072","","0.117","0.117","","","","","1.83","1.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001156","17.628","0.004","10.168","0.001","6.496","0.001","90","","90","","90","","1164.4","0.3","294","1","293","","","","","","","","","6","P n a 21","P 2c -2n","33","CuBAMP","(2,6-diaminomethylpyridine)Cu(II)Chloride Perchorlate","","- C7 H11 Cl2 Cu N3 O4 -","- C7 H11 Cl2 Cu N3 O4 -","- C28 H44 Cl8 Cu4 N12 O16 -","4","1","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.032","0.032","","0.049","0.049","","","","","0.86","0.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001157","8.737","0.003","10.096","0.004","14.093","0.006","90","","96.05","0.03","90","","1236.2","0.8","240","2","240","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-tetrachlorobis(hexamethylphosphoric triamide)titanium","","- C12 H36 Cl4 N6 O2 P2 Ti -","- C12 H36 Cl4 N6 O2 P2 Ti -","- C24 H72 Cl8 N12 O4 P4 Ti2 -","2","0.5","MU1061","Clegg, W.; O'Neil, P. A.; Henderson, K. W.; Mulvey, R. E.","Structure of monomeric [TiCl~4~(hexamethylphosphoric triamide)~2~]","Acta Crystallographica Section C","1993","49","12","2108","2109","10.1107/S0108270193006973","","","1.54184","CuKα","","0.0852","0.08","","0.226","","","","","1.12","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001158","10.73","0.002","21.081","0.004","9.868","0.002","90","","111.62","0.02","90","","2075.1","0.8","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Li2 O8 Zn -","- C16 H20 Li2 O8 Zn -","- C64 H80 Li8 O32 Zn4 -","4","1","MU1063","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Dilithium zinc crotonate, a mixed-metal sheet polymeric structure","Acta Crystallographica Section C","1993","49","12","2109","2112","10.1107/S0108270193006985","","","1.54184","CuKα","","0.0413","0.0378","","0.1064","0.1064","","","","1.046","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001159","8.4229","0.0005","12.85","0.003","16.4655","0.0008","90","","94.959","0.005","90","","1775.5","0.4","298","3","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O12 -","- C36 H96 Cl8 Cu4 N16 O48 -","4","1","AS1041","Lu, T.-H.; Lin, J.-L.; Shu, K.; Yuan, Y.-Z.; Chung, C.-S.","Structure of [(3<i>RS</i>,7<i>SR</i>)-3,7-dimethyl-3,7-diazanonane-1,9-diamine]perchloratocopper(II) perchlorate, [Cu(ClO~4~)(C~9~H~24~N~4~)](ClO~4~)","Acta Crystallographica Section C","1993","49","12","2112","2113","10.1107/S0108270193005736","","","0.7093","MoKα","","","0.032","","","0.032","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001160","9.889","0.003","25.239","0.004","8.402","0.002","90","","92.85","0.02","90","","2094.4","0.9","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H31 Cl2 N5 Ni O8 -","- C12 H31 Cl2 N5 Ni O8 -","- C48 H124 Cl8 N20 Ni4 O32 -","4","1","AS1043","Tahirov, T. H.; Lu, T.-H.; Liu, Y.-L.; Huang, C.-C.; Yuan, Y.-Z.; Chung, C.-S.","Structure of (2,5,9,13,16-pentaazaheptadecane)perchloratonickel(II) perchlorate, [Ni(ClO~4~)(C~12~H~31~N~5~)](ClO~4~)","Acta Crystallographica Section C","1993","49","12","2114","2115","10.1107/S0108270193005748","","","1.54178","CuKα","","","0.069","","","0.08","","","","","24.27","24.27","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001161","11.351","0.002","9.734","0.002","12.09","0.002","90","","90","","90","","1335.8","0.4","120","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 I2 N2 Zn -","- C8 I2 N2 Zn -","- C32 I8 N8 Zn4 -","4","0.5","AL1044","Freer, A. A.; McDermott, G.; Melville, J. C.; Robins, D. J.","Structure of diiodobis(1-pyrroline)zine(II)","Acta Crystallographica Section C","1993","49","12","2115","2117","10.1107/S010827019300544X","","","0.7107","MoKα","","","0.034","","","0.06","","","","","3.2","3.2","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001162","12.362","0.003","10.44","0.003","18.641","0.005","90","","92.29","0.02","90","","2403.9","1.1","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Cl5 N3 Zn -","- C12 H36 Cl5 N3 Zn -","- C48 H144 Cl20 N12 Zn4 -","4","1","OH1035","Ishida, H.; Kashino, S.","Structure of [(CH~3~)~3~CNH~3~]~2~[ZnCl~4~].(CH~3~)~3~CNH~3~Cl","Acta Crystallographica Section C","1993","49","12","2117","2119","10.1107/S0108270193006067","","","0.71073","MoKα","","","0.07","","","0.076","","","","","1.95","1.95","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2001163","14.251","0.007","10.062","0.009","8.691","0.009","103.91","0.06","90.65","0.07","99.98","0.05","1189.5","1.8","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H37 N2 O7 P S -","- C18 H37 N2 O7 P S -","- C36 H74 N4 O14 P2 S2 -","2","1","OH1022","Izumi, M.; Ichikawa, K.; Suzuki, M.; Tanaka, I.","Structure of bis(triethylammonium) phenylphosphonatosulfate","Acta Crystallographica Section C","1993","49","12","2119","2121","10.1107/S0108270193004688","","","0.71069","MoKα","","","0.0831","","","0.0831","","","","","2.0188","2.0188","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001164","25.767","0.002","13.897","0.002","19.867","0.004","90","","126.91","0.01","90","","5688.3","1.7","293","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C58 H80 O10 -","- C58 H80 O10 -","- C232 H320 O40 -","4","1","PA1034","Guelzim, A.; Khrifi, S.; Baert, F.; Asfari, Z.; Vicens, J.","Structure of diethyl 5,11,17,23-tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)","Acta Crystallographica Section C","1993","49","12","2121","2124","10.1107/S010827019300349X","","","1.5418","CuKα","","","0.062","","","0.062","","","","","2.31","2.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001165","20.666","0.002","10.71","0.001","20.302","0.003","90","","118.72","0.008","90","","3940.7","0.8","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C24 H19 N O2 S -","- C12 H9.5 N0.5 O S0.5 -","- C96 H76 N4 O8 S4 -","8","2","LI1050","Helliwell, M.; Barnwell, N.; Mitchell, M. B.; Joule, J. A.","Structure of a phenylsulfonylallene","Acta Crystallographica Section C","1993","49","12","2124","2126","10.1107/S0108270193005384","","","1.54178","CuKα","","","0.057","","","0.08","","","","","2.62","2.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001166","14.442","0.001","4.561","0.006","18.037","0.002","90","","93.959","0.006","90","","1185.3","1.6","294","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","HA1045","Glendinning, A.; Hunter, W. N.; Joule, J. A.; Leonard, G. A.","Structure of [2]benzoxepino[4,3-<i>b</i>]indole","Acta Crystallographica Section C","1993","49","12","2126","2128","10.1107/S0108270193004299","","","1.5418","CuKα","","","0.048","","","0.048","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001167","23.513","0.006","5.965","0.002","13.433","0.004","90","","92.05","0.03","90","","1882.8","1","295","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","BR1033","Glatzhofer, D. T.; Khan, M. A.","<i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation","Acta Crystallographica Section C","1993","49","12","2128","2133","10.1107/S0108270193005025","","","0.71069","MoKα","","","0.038","","","0.04","","","","","1.4","1.4","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001168","14.469","0.004","19.264","0.006","9.814","0.003","90","","98.15","0.03","90","","2707.8","1.4","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N3 O3 S -","- C31 H29 N3 O3 S -","- C124 H116 N12 O12 S4 -","4","1","BR1033","Glatzhofer, D. T.; Khan, M. A.","<i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation","Acta Crystallographica Section C","1993","49","12","2128","2133","10.1107/S0108270193005025","","","0.71069","MoKα","","","0.036","","","0.037","","","","","1.3","1.3","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001169","3.986","0.003","11.753","0.004","8.154","0.002","90","","99.2","0.03","90","","377.1","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tetrathiooxalsäure-dimetylester","","","- C4 H6 S4 -","- C4 H6 S4 -","- C8 H12 S8 -","2","0.5","SE1030","Sens, I.; Müller, U.","Tetrathiooxalsäure-Dimethylester","Acta Crystallographica Section C","1993","49","12","2133","2134","10.1107/S0108270193007024","","","0.7107","MoKα","","0.061","0.04","","","0.023","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001170","15.22","0.005","8.229","0.005","15.717","0.005","90","","116.84","0.03","90","","1756.4","1.4","190","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 O12 S2 -","- C27 H29 O6 S -","- C54 H58 O12 S2 -","2","1","CD1030","Chênevert, R.; Gagnon, R.; Simard, M.","18-Crown-6‒methyl 2-naphthalenesulfonate (1/2) complex","Acta Crystallographica Section C","1993","49","12","2134","2137","10.1107/S0108270193002951","","","1.54178","CuKα","","","0.04","","","0.055","","","","","2.88","2.88","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001171","7.605","0.002","8.401","0.002","11.555","0.002","106.86","0.02","102.57","0.02","102.17","0.02","659.3","0.3","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","HL1030","Shi, J.; Su, G.; He, Y.","Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II)","Acta Crystallographica Section C","1993","49","12","2137","2139","10.1107/S0108270193004901","","","0.71069","MoKα","","","0.052","","","0.073","","","","","2.25","2.25","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001172","10.644","0.002","9.355","0.002","12.643","0.003","90","","97.18","0.02","90","","1249","0.5","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","HL1030","Shi, J.; Su, G.; He, Y.","Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II)","Acta Crystallographica Section C","1993","49","12","2137","2139","10.1107/S0108270193004901","","","0.71069","MoKα","","","0.056","","","0.066","","","","","2.08","2.08","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001173","8.594","0.002","14.045","0.006","11.509","0.006","90","","90","","90","","1389.2","1","293","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","HA1049","Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A.","Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one","Acta Crystallographica Section C","1993","49","12","2140","2141","10.1107/S0108270193005050","","","1.5418","CuKα","","","0.034","","","0.046","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001174","9.221","0.001","18.157","0.002","10.318","0.001","90","","90","","90","","1727.5","0.3","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-tris(tert.-butyl)anilin","","- C18 H31 N -","- C18 H31 N -","- C72 H124 N4 -","4","0.5","SE1024","Pohl, E.; Herbst-Irmer, R.; Köhler, K.; Roesky, H. W.; Sheldrick, G. M.","Structure of 2,4,6-tri(<i>tert</i>-butyl)aniline at 153 K","Acta Crystallographica Section C","1993","49","12","2141","2143","10.1107/S0108270193005827","","","0.71073","MoKα","","0.0621","0.0522","","0.1662","","","","","1.071","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2001175","17.77","0.006","5.379","0.009","36.001","0.006","90","","90","","90","","3441","1","294","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C176 H152 N24 -","8","2","PA1035","Toupet, L.; Soufiaoui, M.; Carrie, R.","Etude de la phenylhydrazone du 3-benzoyl-1-methylindole","Acta Crystallographica Section C","1993","49","12","2143","2145","10.1107/S0108270193005190","","","0.70926","MoKα","","","0.038","","","0.039","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001176","17.794","0.005","10.002","0.003","12.502","0.004","90","","92.16","0.03","90","","2223.5","1.2","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Cl N O2 Si3 -","- C13 H32 Cl N O2 Si3 -","- C52 H128 Cl4 N4 O8 Si12 -","4","1","SE1021","Ramm, M.; Schmaucks, G.; Rudert, R.; Schulz, B.","Structure of 1-ethyl-3-(heptamethyltrisiloxan-3-yl)pyrroline hydrochloride, C~13~H~32~NO~2~Si~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1993","49","12","2145","2147","10.1107/S0108270193005621","","","0.71069","MoKα","","","0.062","","","0.072","","","","","2.927","2.927","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001177","8.1358","0.0006","8.6407","0.0004","9.6854","0.0005","81.098","0.004","87.352","0.005","72.702","0.005","642.25","0.07","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","1","0.5","CR1052","Davis, D. S.; Stubbs, J. L.; Fronczek, F. R.; Gandour, R. D.","<i>N</i>,<i>N</i>'-(1,2-Ethynylenedi-2,2'-phenylene)bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section C","1993","49","12","2148","2149","10.1107/S0108270193004731","","","1.54184","CuKα","","","0.037","","","0.059","","","","","2.642","2.642","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001178","15.834","0.002","9.558","0.002","8.216","0.001","90","","95.77","0.01","90","","1237.1","0.3","298","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C64 H40 O20 -","4","1","OH1034","Ohsawa, Y.; Ohba, S.","Damnacanthal","Acta Crystallographica Section C","1993","49","12","2149","2151","10.1107/S0108270193005670","","","0.71073","MoKα","","","0.042","","","0.046","","","","","1.82","1.82","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001179","5.707","0.001","10.227","0.002","16.625","0.002","80.48","0.01","87.25","0.01","74.5","0.01","922.2","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","(±)(1R,2S,3R,6S,7R,8S,13R)-9-[(phenylacetoxy)ethyl]-10-trifluoromethyl- 11,12-dioxatetracyclo [6.2.1.1.^3,6^0^2,7^]deca-4,9-diene","","- C21 H19 F3 O4 -","- C21 H19 F3 O4 -","- C42 H38 F6 O8 -","2","1","HU1033","Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels‒Alder cycloaddition of furan to 5,5,5-trifluoropent-3-yn-2-yl phenylacetate","Acta Crystallographica Section C","1993","49","12","2151","2153","10.1107/S0108270193007668","","","0.7107","MoKα","","","0.0522","","","0.0298","","","","","1.734","1.734","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001180","5.87","0.001","13.845","0.002","22.664","0.002","90","","90","","90","","1841.9","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(±)(1R,2S,3R,6S,7R,8S,13S)-9-[(phenylacetoxy)ethyl]-10-trifluoromethyl- 11,12-dioxatetracyclo [6.2.1.1.^3,6^0^2,7^]deca-4,9-diene","","- C21 H19 F3 O4 -","- C21 H19 F3 O4 -","- C84 H76 F12 O16 -","4","1","HU1033","Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels‒Alder cycloaddition of furan to 5,5,5-trifluoropent-3-yn-2-yl phenylacetate","Acta Crystallographica Section C","1993","49","12","2151","2153","10.1107/S0108270193007668","","","0.7107","MoKα","","","0.0689","","","0.0349","","","","","1.954","1.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001181","8.11","0.009","9.07","0.01","15.61","0.02","81.37","0.09","85.29","0.09","68.61","0.09","1057","2","293","","293","","","","","","","","","6","P -1","-P 1","2","","(^+^~-~)-(R^*^{S^*^[S^*^-(S^*^)]})-α,α'-[Iminobis(methylene-6-fluoro- 3,4-dihydro-2H-1-benzopyran-2-methanol] Hydrochloride","","- C22 H27 Cl F2 N O4 -","- C22 H26 Cl F2 N O4 -","- C44 H52 Cl2 F4 N2 O8 -","2","1","NA1052","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II)","Acta Crystallographica Section C","1993","49","12","2154","2157","10.1107/S0108270193006687","","","1.54178","CuKα","","0.0935","0.0464","","0.09","0.0699","","","","","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001182","4.841","0.004","14.617","0.007","33.46","0.01","90","","90","","90","","2368","2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S{R[R-(R)]})-α,α'-[Iminobis(methylene-6-fluoro-3,4-dihydro -2H-1-benzopyran-2-methanol)] Hydrobromide Dihydrate","","- C22 H30 Br F2 N O6 -","- C22 H30 Br F2 N O6 -","- C88 H120 Br4 F8 N4 O24 -","4","1","NA1052","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II)","Acta Crystallographica Section C","1993","49","12","2154","2157","10.1107/S0108270193006687","","","1.54178","CuKα","","0.1867","0.0658","","0.1214","0.0833","","","","","1.53","1.53","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001183","7.2214","0.0005","8.0172","0.0007","26.288","0.002","90","","90","","90","","1522","0.2","293","","293","","","","","","","","","5","P 21 c n","P -2n 2a","33","alkynyl pyridinium p-toluenesulfonate salt","1-(3-butynyl)pyridinum p-toluenesulphonate","","- C16 H17 N O3 S -","- C16 H15.5 N O3 S -","- C64 H62 N4 O12 S4 -","4","1","MU1050","Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R.","Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1993","49","12","2160","2162","10.1107/S0108270193006523","","","0.71073","MolybdenumKα","","0.066","0.046","","0.097","0.08","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001184","6.7004","0.0005","7.1548","0.0005","14.7572","0.0014","90","","90","","90","","707.46","0.1","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","6-amino-1,3-dimethyluracil","6-amino-1,3-dimethyluracil","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","0.5","AB1089","Ferguson, G.; Gallagher, J. F.; Low, J. N.; Howie, R. A.; Hueso-Urena, F.; Moreno Carretero, M. N.","Intermolecular N‒H^{···^}O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil","Acta Crystallographica Section C","1993","49","12","2162","2164","10.1107/S0108270193006407","","","0.7093","MoKα","","0.057","0.043","","0.074","0.071","","","","","1.95","1.95","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2001185","8.431","0.001","20.452","0.003","10.615","0.003","90","","111.42","0.01","90","","1703.9","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H25.44 Br N3 O1.72 -","- C16 H25.44 Br N3 O1.72 -","- C64 H101.76 Br4 N12 O6.88 -","4","1","HA1050","Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D.","Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate","Acta Crystallographica Section C","1993","49","12","2164","2165","10.1107/S0108270193005475","","","0.71069","MoKα","","","0.048","","","0.041","","","","","1.33","1.33","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2001186","12.424","0.002","14.402","0.002","8.09","0.001","90","","101.06","","90","","1420.7","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","AB1072","Özbey, S.; Kendi, E.; Hocaoğlu, N.; Uyar, T.; Mak, T. C. W.","2-(4-Chlorophenylazo)-2-methyl-1,3-indandione","Acta Crystallographica Section C","1993","49","12","2165","2167","10.1107/S0108270193005682","","","0.7107","MoKα","","","0.037","","","0.037","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001187","9.991","0.004","10.012","0.003","11.763","0.002","113.46","0.02","108.65","0.02","96.59","0.03","982.2","0.6","292","","292","","","","","","","","","4","P -1","-P 1","2","","3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-azabutadiene","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C48 H40 N4 O4 -","2","1","KA1045","Macíček, J.; Angelova, O.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. IV. 3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24CLPD) and 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24MOPD)","Acta Crystallographica Section C","1993","49","12","2169","2173","10.1107/S0108270193006420","","","0.71073","MoKα","","0.408","0.058","","0.065","0.029","","","","2.3","1.573","1.573","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001188","28.0154","0.0006","9.8541","0.0002","21.8502","0.0003","90","","123.375","0.001","90","","5037.34","0.17","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C34 H31 N O -","- C34 H31 N O -","- C272 H248 N8 O8 -","8","1","SH1050","Schollmeyer, D.; Fischer, G.; Pindur, U.","Annellated carbazoles as nucleic acid binding drugs: structure of 6-ethyl-6,11-dihydro-5-(4-phenoxybutyl)-5<i>H</i>-6,11-<i>o</i>-benzenobenzo[<i>b</i>]carbazole","Acta Crystallographica Section C","1993","49","12","2177","2179","10.1107/S0108270193005839","","","1.5418","CuKα","","","0.042","","","0.042","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001189","7.052","0.001","7.616","0.001","22.429","0.003","90","","93.42","0.01","90","","1202.5","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","1","AB1075","Ertan, A.; Koziol, J.","Structure of 1,3,9-trimethylalloxazine","Acta Crystallographica Section C","1993","49","12","2179","2181","10.1107/S0108270193005803","","","1.54183","CuKα","","","0.048","","","0.069","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001190","10.6819","0.0009","9.964","0.001","16.2694","0.0009","90","","90","","90","","1731.6","0.2","296","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C20 H22 O3 -","- C23 H13 O3 -","- C92 H52 O12 -","4","1","HL1029","Kagawa, H.; Sagawa, M.; Kakuta, A.","3-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-propen-1-one: an SHG active β-diketone","Acta Crystallographica Section C","1993","49","12","2181","2183","10.1107/S0108270193005906","","","1.54178","CuKα","","","0.048","","","0.064","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001191","7.471","0.001","8.588","0.002","5.684","0.001","90","","90","","90","","364.69","0.12","293","","","","","","","","","","","3","P b a m","-P 2 2ab","","","","","- Mn2 Nd O5 -","- Mn2 Nd O5 -","- Mn8 Nd4 O20 -","4","0.5","DU1038","Euzen, P.; Leone, P.; Gueho, C.; Palvadeau, P.","Structure of NdMn~2~O~5~","Acta Crystallographica Section C","1993","49","11","1875","1877","10.1107/S0108270193003221","","","0.71069","MoKα","","","0.02","","","0.021","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001193","18.839","0.002","12.719","0.001","18.743","0.002","90","","109.55","0.02","90","","4232.2","0.9","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H44 O50 Sr3 V10 -","- H10 O50 Sr3 V10 -","- H40 O200 Sr12 V40 -","4","0.5","MU1037","Nieto, J. M.; Salagre, P.; Medina, F.; Sueiras, J. E.; Solans, X.","Structure of Sr~3~V~10~O~28~.22H~2~O","Acta Crystallographica Section C","1993","49","11","1879","1881","10.1107/S0108270193003361","","","0.71069","MoKα","","","0.031","","","0.033","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001194","9.053","0.001","8.036","0.001","7.834","0.001","90","","90","","90","","569.92","0.12","296","","","","","","","","","","","4","P n a m","-P 2c -2n","","","","","- C2 H4 O6 Pb -","- C2 H4 O6 Pb -","- C8 H16 O24 Pb4 -","4","0.5","AB1074","Virovets, A. V.; Naumov, D. Yu.; Boldyreva, E. V.; Podberezskaya, N. V.","Structure of lead(II) oxalate dihydrate","Acta Crystallographica Section C","1993","49","11","1882","1884","10.1107/S0108270193004652","","","1.54178","CuKα","","","0.027","","","0.028","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001195","10.065","0.002","10.437","0.002","12.974","0.004","68.22","0.02","70.69","0.02","88.31","0.02","1187.6","0.6","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorobis(1,2-bis(diphenylphosphino)ethane)osmium(II) Dichloromethane Solvate","","- C53 H50 Cl4 Os P4 -","- C52.928 H49.856 Cl3.856 Os P4 -","- C52.928 H49.856 Cl3.856 Os P4 -","1","0.5","HA1057","Levason, W.; Champness, N. R.; Webster, M.","Structure of <i>trans</i>-dichlorobis[1,2-bis(diphenylphosphino)ethane]osmium(II) dichloromethane solvate","Acta Crystallographica Section C","1993","49","11","1884","1885","10.1107/S0108270193004639","","","0.71069","MoKα","","","0.0231","","","0.0313","","","","","1.27","1.27","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2001196","15.887","0.003","9.858","0.002","17.568","0.003","90","","112.75","0.02","90","","2537.3","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","","","Cobalt(III)sepulchrate cyclo-triphosphate-water(2/7)","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)cyclo-triphosphate -water (2/7)","","- C12 H37 Co N8 O12.5 P3 -","- C12 H34 Co N8 O13 P3 -","- C48 H136 Co4 N32 O52 P12 -","4","1","AL1051","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate","Acta Crystallographica Section C","1993","49","11","1885","1892","10.1107/S0108270193004263","","","0.7107","MoKα","","","0.0581","","","0.0644","","","","","3.208","3.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001197","17.494","0.007","11.548","0.005","22.21","0.01","90","","93.94","0.01","90","","4476","3","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[tris(aminoethylaminomethyl)amine](trisethylendiamine) dicobalt(III)di(cyclo-triphosphate)octahydrate","","- C17.16 H65.24 Co2 N13.72 O26 P6 -","- C19 H70 Co2 N20 O29 P7 -","- C76 H280 Co8 N80 O116 P28 -","4","1","AL1051","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate","Acta Crystallographica Section C","1993","49","11","1885","1892","10.1107/S0108270193004263","","","0.7107","Mo/Kα","","0.1404","0.0654","","","0.2034","","","","0.992","1.336","1.336","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001198","7.321","0.006","12.79","0.001","22.822","0.003","90","","90","","90","","2137","1.8","290.5","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Cr O4 S -","- C22 H28 Cr O4 S -","- C88 H112 Cr4 O16 S4 -","4","1","HL1032","Clark, G. R.; Cambie, R. C.; King, M. D.; Rutledge, P. S.; Woodgate, P. D.","Structure of dicarbonyl[(8,9,11,12,13,14-η)-12,19-dimethoxypodocarpa-8,11,13-triene]thiocarbonylchromium(0)","Acta Crystallographica Section C","1993","49","11","1892","1895","10.1107/S0108270193004172","","","0.71069","MoKα","","","0.0412","","","0.0333","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001199","13.518","0.009","21.496","0.01","20.055","0.01","90","","99.56","0.04","90","","5747","6","299","1","299","1","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethylenediammonium catena-Poly[μ-(2-pyridinecarboxylato-κN,κO:κO')- -tris(pyridinecarboxylato-κN,κO)holmate] Hexahydrate","","- C50 H54 Ho2 N10 O22 -","- C50 H45 Ho2 N10 O22 -","- C200 H180 Ho8 N40 O88 -","4","1","AB1068","Starynowicz, P.","Structure of ethylenediammonium <i>catena</i>-poly[tris(2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>)holmate-μ-2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>:κ<i>O</i>']hexahydrate","Acta Crystallographica Section C","1993","49","11","1895","1897","10.1107/S0108270193004603","","","0.71069","MoKα","","","0.0308","","","0.0305","","","","","","","","","","","has coordinates","191092","2020-10-21","18:00:00",""
"2001200","8.684","0.002","10.1","0.002","10.109","0.003","71.55","0.02","85.42","0.02","73.97","0.02","808.3","0.4","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Fe O2 P2 -","- C38 H33 Fe O2 P2 -","- C38 H33 Fe O2 P2 -","1","1","HH1031","Shawkataly, O. B.; Khalil, H.; Fun, H.-K.; Chinnakali, K.; Teoh, S.-G.; Ito, Y.; Sawamura, M.","Structure of (<i>R</i>)-1-[(<i>S</i>)-1',2-bis(diphenylphosphino)ferrocenyl]ethyl acetate","Acta Crystallographica Section C","1993","49","11","1898","1900","10.1107/S0108270193003063","","","0.71069","MoKα","","","0.0483","","","0.0384","","","","","0.87","0.87","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2001201","10.539","0.002","11.902","0.002","9.714","0.002","96.301","0.006","108.962","0.005","75.234","0.004","1113.8","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","Tetra-(tetramethylammonium) Octamolybdate Dihydrate","","- C16 H52 Mo8 N4 O28 -","- C16 H52 Mo8 N4 O28 -","- C16 H52 Mo8 N4 O28 -","1","0.5","HH1072","Harrison, W. T. A.; Stucky, G. D.; Gier, T. E.","Tetrakis(tetramethylammonium) octamolybdate dihydrate","Acta Crystallographica Section C","1993","49","11","1900","1902","10.1107/S0108270193004810","","","0.71073","MoKα","","","0.048","","","0.05","","","","","","","","","","","has coordinates","198643","2020-10-21","18:00:00",""
"2001202","11.176","0.002","11.879","0.002","14.026","0.002","96.39","0.01","92.84","0.01","112.8","0.01","1697.2","0.5","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl2 Cu N12 O12 -","- C21 H23 Cl2 Cu N12 O12 -","- C42 H46 Cl4 Cu2 N24 O24 -","2","1","DU1025","Salas, J.-M.; Romero, M.-A.; Enrique, C.; Sirera, R.; Faure, R.","Structure of diaquatris(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1993","49","11","1902","1905","10.1107/S0108270193004196","","","0.7107","MoKα","","","0.054","","","0.062","","","","","1.6","1.6","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001203","7.539","0.001","8.871","0.001","24.108","0.01","90","","90","","90","","1612.3","0.7","293","","","","","","","","","","","5","P b n m","-P 2c 2ab","","","","","- C17 H18 N2 Ni O3 -","- C17 H18 N2 Ni O3 -","- C68 H72 N8 Ni4 O12 -","4","0.5","HA1026","Elerman, Y.; Kabak, M.; Atakol, O.","An <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediamine‒nickel complex","Acta Crystallographica Section C","1993","49","11","1905","1906","10.1107/S0108270193004615","","","0.7107","MoKα","","","0.048","","","0.045","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001204","10.452","0.003","11.664","0.004","15.641","0.004","94.37","0.02","89.75","0.02","111.87","0.02","1763.9","0.9","293","","","","","","","","","","","6","P -1","-P 1","2","","Hexacarbonylbis(μ-dicyclohexylphosphanido)cobaltrhenium (Co-Re)","","- C30.5 H46 Co O6.5 P2 Re -","- C31 H48 Co O7 P2 Re -","- C62 H96 Co2 O14 P4 Re2 -","2","1","SE1031","Flörke, U.; Haupt, H.-J.","The first dinuclear cobalt–rhenium cluster compound: hexacarbonylbis(μ-dicyclohexylphosphanido)cobaltrhenium","Acta Crystallographica Section C","1993","49","11","1906","1908","10.1107/S0108270193005013","","","0.71073","MoKα","","","0.038","","","0.034","","","","","1.583","1.583","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001205","9.688","0.002","14.157","0.002","25.52","0.003","90","","94.72","0.01","90","","3488.3","1","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cu2 N12 S4 -","- C12 H24 Cu N6 S2 -","- C96 H192 Cu8 N48 S16 -","8","2","AS1033","Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Chung, C.-S.","Structure of isothiocyanato(1,4,7,11-tetraazacyclotetradecane)copper(II) thiocyanate","Acta Crystallographica Section C","1993","49","11","1908","1910","10.1107/S0108270193004226","","","0.7093","MoKα","","","0.044","","","0.05","","","","","1.38","1.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001206","12.532","0.002","13","0.002","12.686","0.004","90","","110.91","0.02","90","","1930.6","0.8","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H29 Cl3 Co N5 O4 -","- C12 H29 Cl3 Co N5 O4 -","- C48 H116 Cl12 Co4 N20 O16 -","4","1","AS1028","Tahirov, T. H.; Lu, T.-H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.","Structure of <i>meso</i>-chloro(1,4,7,11,14-pentaazacycloheptadecane)cobalt(III) chloride perchlorate","Acta Crystallographica Section C","1993","49","11","1910","1912","10.1107/S0108270193004159","","","0.7093","MoKα","","","0.037","","","0.037","","","","","0.99","0.99","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001207","7.185","0.005","9.552","0.003","16.742","0.003","90","","90","","90","","1149","0.9","298","3","","","","","","","","","","6","P 2 1 1","P 2x","3","","","","- C17 H36 Cl Co N4 O7 -","- C8.5 H18 Cl0.5 Co0.5 N2 O4.5 -","- C17 H36 Cl Co N4 O9 -","2","1","AS1029","Lu, T.-H.; Chen, B.-H.; Chung, C.-S.","Structure of carbonato(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate","Acta Crystallographica Section C","1993","49","11","1912","1914","10.1107/S0108270193004160","","","0.7093","MoKα","","","0.064","","","0.081","","","","","1.04","1.04","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001208","16.012","0.002","8.7156","0.0011","19.13","0.003","90","","90","","90","","2669.7","0.6","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H40 Ag Cl2 N4 O10 -","- C16 H40 Ag Cl2 N4 O10 -","- C64 H160 Ag4 Cl8 N16 O40 -","4","0.5","HH1059","Po, H. N.; Shen, S.-C.; Doedens, R. J.","Structure of (<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)silver(II) diperchlorate dihydrate","Acta Crystallographica Section C","1993","49","11","1914","1916","10.1107/S0108270193004342","","","0.71073","MoKα","","","0.0535","","","0.0729","","","","","2.51","2.51","","","","","has coordinates","198642","2020-10-21","18:00:00",""
"2001209","7.584","0.002","12.171","0.004","8.293","0.002","90","","106.06","0.02","90","","735.6","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H7 Cl Hg O2 -","- C2.5 H3.5 Cl0.5 Hg0.5 O -","- C10 H14 Cl2 Hg2 O4 -","4","2","DU1042","Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.","Structure d'un produit de mercuration de la 2,4-pentanedione, Hg(C~5~H~7~O~2~)Cl","Acta Crystallographica Section C","1993","49","11","1916","1918","10.1107/S0108270193004482","","","0.71069","MoKᾱ","","","0.051","","","0.0601","","","","","3.75","3.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001210","7.4764","0.0005","14.938","0.0007","9.7315","0.0003","90","","110.022","0.004","90","","1021.15","0.09","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 N4 Ni O7 S2 -","- C16 H22 N4 Ni O7 S2 -","- C32 H44 N8 Ni2 O14 S4 -","2","1","SH1041","Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.","Aqua[1,8-di(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>'](nitrato-<i>O</i>)nickel(II) nitrate","Acta Crystallographica Section C","1993","49","11","1918","1920","10.1107/S010827019300352X","","","0.7093","MoKα","","","0.031","","","0.034","","","","","0.74","0.74","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001211","7.404","0.001","10.006","0.001","10.093","0.001","90.28","0.01","97.68","0.01","91.77","0.01","740.64","0.15","292","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 Cu2 F8 O10 -","- C28 H16 Cu2 F8 O10 -","- C28 H16 Cu2 F8 O10 -","1","0.5","CR1050","Karipides, A.; White, C.","Structure of diaquatetrakis(μ-2,6-difluorobenzoato-κ<i>O</i>:κ<i>O</i>')dicopper(II)","Acta Crystallographica Section C","1993","49","11","1920","1923","10.1107/S0108270193004214","","","0.71073","MoKα","","","0.041","","","0.042","","","","","1.15","1.15","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001212","15.96","0.001","12.447","0.001","17.044","0.001","90","","90","","90","","3385.9","0.4","293","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C30 H33 B N6 O3 V -","- C32 H36 B N7 O3 V -","- C128 H144 B4 N28 O12 V4 -","4","1","AL1033","Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.","Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1993","49","11","1923","1926","10.1107/S0108270193004949","","","0.71069","MoKα","","","0.074","","","0.084","","","","","1.07","1.07","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2001213","8.169","0.002","19.599","0.007","10.737","0.003","90","","99.18","0.02","90","","1697","0.9","293","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 B Cl In N7 O2 -","- C32 H36 B Cl In N7 O2 -","- C64 H72 B2 Cl2 In2 N14 O4 -","2","1","AL1033","Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.","Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1993","49","11","1923","1926","10.1107/S0108270193004949","","","0.71069","MoKα","","","0.034","","","0.043","","","","","1.01","1.01","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001214","33.673","0.004","12.275","0.002","23.057","0.003","90","","97.828","0.002","90","","9441","2","298","","","","","","","","","","","6","I 1 2/c 1","-I 2yc","","","","","- C38 H24 Au2 O12 P2 Ru4 -","- C38 H24 Au2 O12 P2 Ru4 -","- C304 H192 Au16 O96 P16 Ru32 -","8","1","AL0555","Adatia, T.","Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~]","Acta Crystallographica Section C","1993","49","11","1926","1929","10.1107/S0108270193006432","","","0.71069","MoKα","","","0.0603","","","0.0605","","","","","1.723","1.723","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001215","15.156","0.002","17.34","0.003","13.472","0.002","90","","90","","90","","3540.5","0.9","295","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H40 Cl Cr3 N6 O18 S3 -","- C15 H43 Cl Cr3 N8 O18 S3 -","- C60 H172 Cl4 Cr12 N32 O72 S12 -","4","0.5","AL1037","Karu, E.; Anson, C. E.; Cannon, R. D.; Jayasooriya, U. A.; Powell, A. K.","Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O","Acta Crystallographica Section C","1993","49","11","1929","1932","10.1107/S0108270193004548","","","0.71069","MoKα","","","0.0513","","","0.0447","","","","","2.62","2.62","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001216","5.1","0.002","10.051","0.004","16.453","0.007","90","","94.82","0.05","90","","840.4","0.6","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Cu N5 O3 -","- C16 H17 Cu N5 O3 -","- C32 H34 Cu2 N10 O6 -","2","1","DU1037","Kettmann, V.; Frešová, E.; Bláhová, M.; Krätsmár-Šmogrovič, J.","Structure of (pyrazole-κ<i>N</i>^2^)[(<i>S</i>)-<i>N</i>-salicylidene-κ<i>O</i>-alaninato(2‒)-κ<i>N</i>,κ<i>O</i>]copper(II)‒pyrazole (1/1)","Acta Crystallographica Section C","1993","49","11","1932","1934","10.1107/S0108270193003476","","","0.71069","MoKα","","","0.041","","","0.059","","","","","1.36","1.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001217","9.165","0.002","19.473","0.004","15.482","0.004","90","","97.51","0.02","90","","2739.4","1.1","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 O9 Os3 P -","- C20 H26 O9 Os3 P -","- C80 H104 O36 Os12 P4 -","4","1","HA1037","Farrugia, L. J.","Structure of the ethylidene cluster Os~3~(μ-H)~2~(μ-CHCH~3~)(CO)~9~(P^<i>i^</i>Pr~3~)","Acta Crystallographica Section C","1993","49","11","1934","1936","10.1107/S0108270193001933","","","0.71069","MoKα","","","0.032","","","0.035","","","","","1.49","1.49","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001218","10.941","0.005","14.585","0.004","21.201","0.005","90","","90.83","0.03","90","","3383","2","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Br14 Mo6 O2 P2 S8 -","- C42 H38 Br14 Mo6 O2 P2 S8 -","- C84 H76 Br28 Mo12 O4 P4 S16 -","2","0.5","DU1039","Jarchow, S.; Fourmigué, M.; Batail, P.","Electrooxidation of the redox tertiary phosphine 4-(diphenylphosphino)-4',5,5'-trimethyltetrathiafulvalene (<i>P</i>~1~) and the structure of (<i>P</i>~1~O^.+^)~2~Mo~6~Br~14~^2{-^}","Acta Crystallographica Section C","1993","49","11","1936","1939","10.1107/S0108270193003671","","","0.71069","MoKα","","","0.045","","","0.051","","","","","1.63","1.63","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001219","9.247","0.002","16.052","0.006","12.683","0.003","90","","90","","90","","1882.6","0.9","300","2","","","","","","","","","","5","P m c n","P 2n -2a","","","","","- C8 H24 Br4 Co N2 -","- C16 Br8 Co N2 -","- C64 Br32 Co4 N8 -","4","0.5","OH1026","Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H.","Structure of tetramethylammonium tetrabromocobaltate at room temperature","Acta Crystallographica Section C","1993","49","11","1939","1941","10.1107/S0108270193004937","","","0.71069","MoKα","","","0.0605","","","0.0465","","","","","1.323","1.323","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001220","7.453","0.002","17.238","0.004","8.139","0.002","90","","106.4","","90","","1003.1","0.4","293","1.5","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O10 U -","- C12 H22 N4 O10 U -","- C24 H44 N8 O20 U2 -","2","0.5","AL1002","Cao, Z.; Wang, H.; Gu, J.; Zhu, L.; Yu, K.","Structure of bis({εpsilon}-caprolactam)dinitratodioxouranium(VI)","Acta Crystallographica Section C","1993","49","11","1942","1943","10.1107/S0108270193004536","","","0.71073","graphite-monochromatizedMoKα","","","0.034","","","0.0288","","","","","1.171","1.171","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001221","10.192","0.006","10.695","0.009","19.501","0.009","90","","99.38","0.04","90","","2097","2","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C23 H20 Cl N S Sn -","- C23 H20 Cl N S Sn -","- C92 H80 Cl4 N4 S4 Sn4 -","4","1","KA1027","Kellö, E.; Vrábel, V.; Lyčka, A.; Sivý, J.","Structure of dibenzylchlorotin(IV) thiooxinate","Acta Crystallographica Section C","1993","49","11","1943","1945","10.1107/S0108270193003154","","","0.71069","MoKα","","","0.046","","","0.048","","","","","0.925","0.925","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001222","10.584","0.004","10.264","0.004","18.064","0.006","90","","101.14","0.03","90","","1925.4","1.2","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Mn2 N4 O8 S2 -","- C19 H22 Mn N2 O4 S -","- C38 H44 Mn2 N4 O8 S2 -","2","1","LI1030","Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Bermejo, M. R.; Garcia-Deibe, A.; Sousa, A.","Facile synthesis and structure of the Mn^IV^‒Mn^IV^ dinuclear complex [Mn(salpn)O]~2~(DMSO)~2~ [salpnH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-diaminopropane]","Acta Crystallographica Section C","1993","49","11","1945","1947","10.1107/S010827019201326X","","","0.71069","MoKα","","","0.063","","","0.079","","","","","2.88","2.88","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001223","8.449","0.001","12.66","0.002","11.25","0.003","90","","94.05","0.02","90","","1200.3","0.4","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl N O2 -","- C13 H12 Cl N O2 -","- C52 H48 Cl4 N4 O8 -","4","1","LI1045","Ondráček, J.; Kovářová, Z.; Maixner, J.; Jursık, F.","Structure of <i>o</i>-(salicylideneamino)phenol hydrochloride","Acta Crystallographica Section C","1993","49","11","1948","1949","10.1107/S0108270193004081","","","0.71073","MoKα","","","0.033","","","0.033","","","","","0.67","0.67","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001224","6.806","0.003","34.693","0.004","7.678","0.002","90","","90","","90","","1812.9","1","191","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C28 H16 O -","- C28 H14 O -","- C112 H56 O4 -","4","0.5","ST1052","Fitzgerald, L. J.; Gerkin, R. E.; Wei, G. P.; Rawal, V. H.","Structure of diphenanthro[1,2-<i>b</i>;2',1'-<i>d</i>]furan at 191 K","Acta Crystallographica Section C","1993","49","11","1949","1952","10.1107/S0108270193003609","","","0.71073","MoKα","","","0.047","","","0.049","","","","","1.59","1.59","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001225","6.906","0.003","3.842","0.005","30.958","0.003","90","","92.04","0.02","90","","820.9","1.1","296","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C44 H32 O8 -","4","1","ST1051","Fitzgerald, L. J.; Gerkin, R. E.","Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid","Acta Crystallographica Section C","1993","49","11","1952","1958","10.1107/S0108270193002641","","","0.71073","MoKα","","","0.046","","","0.055","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001226","5.619","0.002","4.957","0.003","30.419","0.003","90","","92.38","0.03","90","","846.5","0.6","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 O2 -","- C11 H9 O2 -","- C44 H36 O8 -","4","1","ST1051","Fitzgerald, L. J.; Gerkin, R. E.","Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid","Acta Crystallographica Section C","1993","49","11","1952","1958","10.1107/S0108270193002641","","","0.71073","MoKα","","","0.041","","","0.055","","","","","1.99","1.99","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001227","5.116","0.001","10.572","0.002","28.87","0.01","90","","90","","90","","1561.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-6-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole","","- C16 H13 Cl N6 -","- C16 H13 Cl N6 -","- C64 H52 Cl4 N24 -","4","1","NA1038","Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate","Acta Crystallographica Section C","1993","49","11","1958","1961","10.1107/S0108270193004792","","","1.54184","CuKα","","0.0861","0.05","","0.2802","0.0628","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001228","6.008","0.003","8.401","0.004","35.92","0.02","90","","90","","90","","1813","1.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-6-[(4-Chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole Hydrobromide Monohydrate","","- C16 H16 Br Cl N6 O -","- C16 H16 Br Cl N6 O -","- C64 H64 Br4 Cl4 N24 O4 -","4","1","NA1038","Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate","Acta Crystallographica Section C","1993","49","11","1958","1961","10.1107/S0108270193004792","","","0.71073","MoKα","","0.0617","0.036","","0.0484","0.0451","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001229","7.3416","0.0008","10.3924","0.0008","21.509","0.002","90","","90","","90","","1641.1","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide","","- C17 H16 Cl2 N2 O2 -","- C17 H16 Cl2 N2 O2 -","- C68 H64 Cl8 N8 O8 -","4","1","NA1041","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (‒)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide","Acta Crystallographica Section C","1993","49","11","1961","1963","10.1107/S0108270193004780","","","1.54184","CuKα","","0.0334","0.0333","","0.0775","0.0575","","","","","0.94","0.94","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001230","10.472","0.005","11.279","0.006","16.358","0.008","90","","104.45","0.04","90","","1871","1.7","298","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","HH1050","Jedrzejas, M. J.; Kingu, C. S.; Baker, R. J.; Towns, R. L. R.; Masnovi, J.","Structure of <i>syn</i>-7,8-benzo-9,10-(9',10'-phenanthro)tricyclo[4.2.2.2^2,5^]dodeca-3,7,9-triene","Acta Crystallographica Section C","1993","49","11","1963","1965","10.1107/S0108270193004330","","","0.70926","MoKα","","","0.053","","","0.061","","","","","1.735","1.735","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001231","9.094","0.002","9.078","0.002","6.967","0.002","101.25","0.02","106.99","0.02","76.48","0.02","529.8","0.2","23","","23","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","CD1036","Jasinski, J. P.; Woudenberg, R. C.","6,7,8,9-Tetrahydro-4-methyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one","Acta Crystallographica Section C","1993","49","11","1965","1967","10.1107/S0108270193004974","","","0.7107","MoKα","","","0.0612","","","0.0707","","","","","2.749","2.749","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001232","13.146","0.001","8.917","0.001","12.829","0.001","90","","98.89","0.01","90","","1485.8","0.2","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C17 H21 N O2 -","- C19 H29 N O2 -","- C76 H116 N4 O8 -","4","1","KA1024","Kapor, A.; Stájer, G.; Bernáth, G.","Structure of 2-(2-hydroxyethyl)-1-<i>p</i>-tolyl-4,5,6,7-tetrahydro-3(1<i>H</i>)-isoindolone","Acta Crystallographica Section C","1993","49","11","1967","1969","10.1107/S0108270193004238","","","1.5418","CuKα","","","0.044","","","0.046","","","","","2.24","2.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001233","10.851","0.002","14.057","0.002","11.35","0.002","90","","114.8","0.01","90","","1571.6","0.5","253","","253","","","","","","","","","4","I 1 a 1","I -2ya","9","","1,3,5-triisopropyl-2-nitrobenzene","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","SH1053","De Ridder, D. J. A.; Schenk, H.; Döpp, D.","Structure of 1,3,5-triisopropyl-2-nitrobenzene","Acta Crystallographica Section C","1993","49","11","1970","1971","10.1107/S0108270193004913","","","1.5418","CuKα","","0.074","0.074","","0.096","0.096","","","","0.284","0.284","0.284","","","","","has coordinates","198721","2020-10-21","18:00:00",""
"2001234","10.974","0.002","11.892","0.001","19.952","0.003","90","","90","","90","","2603.8","0.7","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","6-tert-butyl-3,3-dimethyl-3H-indol-1-oxide","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","SH1054","De Ridder, D. J. A.; Schenk, H.; Döpp, D.","Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide","Acta Crystallographica Section C","1993","49","11","1971","1973","10.1107/S0108270193004925","","","1.5418","CopperKα","","0.082","0.082","","0.135","0.135","","","","0.525","0.525","0.525","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001235","9.433","0.003","12.674","0.003","8.276","0.003","90","","101.99","0.03","90","","967.8","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS,9bR)-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","SH1048","De Ridder, D. J. A.; Schenk, H.; Ghosh, S.","Structure of <i>rac</i>-(3a<i>S</i>,9b<i>R</i>)-3a,4,5,9b-tetrahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section C","1993","49","11","1973","1975","10.1107/S0108270193003348","","","0.71069","MolybdenumKα","","0.049","0.049","","0.072","0.072","","","","0.169","0.169","0.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001236","10.653","0.001","7.2936","0.0006","10.6398","0.0009","90","","95.26","0.01","90","","823.22","0.12","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","N,N'-dimethylpiperazine-2,3-dithione","","- C6 H10 N2 S2 -","- C6 H10 N2 S2 -","- C24 H40 N8 S8 -","4","0.5","SH1061","De Ridder, D. J. A.","Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction","Acta Crystallographica Section C","1993","49","11","1975","1976","10.1107/S0108270193005086","","","1.5418","CopperKα","","0.039","0.037","","0.073","0.07","","","","1.18","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001237","12.575","0.001","8.489","0.001","17.867","0.002","90","","92.76","0.01","90","","1905.1","0.3","293","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2-[o-(3,5-dimethylpyrazolyl)anilino]-3-methoxymaleate","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","AB1086","Sardone, N.; Oberti, R.","Structure of dimethyl 2-[<i>o</i>-(3,5-dimethyl-1-pyrazolyl)anilino]-3-methoxymaleate","Acta Crystallographica Section C","1993","49","11","1976","1978","10.1107/S0108270193005451","","","0.71069","MoKα","","0.061","0.047","","","","","","","","0.9575","0.9575","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001238","13.454","0.001","7.317","0.001","15.181","0.001","90","","90","","90","","1494.5","0.3","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-(N-acetyl)imino-3-isopropyl-5-methyl-4-phenyl-4-thiazoline","","- C15 H18 N2 O S -","- C15 H18 N2 O S -","- C60 H72 N8 O4 S4 -","4","0.5","AB1085","Declercq, J.-P.; De Kimpe, N.; Boelens, M.","X-ray crystallographic analysis of 2-acetylimino-3-isopropyl-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section C","1993","49","11","1978","1980","10.1107/S0108270193005669","","","1.54178","CopperKα","","","0.054","","","0.072","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001239","15.885","0.004","7.804","0.001","10.504","0.001","90","","90","","90","","1302.1","0.4","291","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","Dimethyl 2,2'-Bipyridine-3,3'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","0.5","AL1057","Rice, C. R.; Robinson, K. J.; Wallis, J. D.","Intramolecular interactions in dimethyl 2,2'-bipyridine-3,3'-dicarboxylate","Acta Crystallographica Section C","1993","49","11","1980","1982","10.1107/S0108270193005931","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001240","12.498","0.004","18.723","0.005","12.68","0.003","90","","100.87","0.02","90","","2913.9","1.4","288","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C33 H28 O8 -","- C33 H28 O8 -","- C132 H112 O32 -","4","1","CD1019","Bormann, L. M.; Baughman, R. G.; Mumba, P.; Meloan, C. E.","Structure of pentaerythritol tetrabenzoate","Acta Crystallographica Section C","1993","49","11","1982","1985","10.1107/S0108270193003579","","","1.54184","CuKα","","","0.052","","","0.033","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001241","8.961","0.001","8.979","0.002","13.92","0.002","91.12","0.02","97.66","0.01","114.75","0.02","1004.5","0.3","294","","","","","","","","","","","2","P -1","-P 1","2","","","","- C14 Cl12 -","- C14 Cl12 -","- C28 Cl24 -","2","1","HH1067","Gano, J. E.; Skrzypczak-Jankun, E.; Kirschbaum, K.; Lenoir, D.; Frank, R.","(<i>Z</i>)-Perchlorostilbene","Acta Crystallographica Section C","1993","49","11","1985","1988","10.1107/S0108270193006201","","","0.71073","MoKα","","","0.04","","","0.055","","","","","1.92","1.92","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001242","26.705","0.004","7.271","0.001","15.403","0.004","90","","118.19","0.02","90","","2636.1","1","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,4-Trifluoro-3-(trifluoromethyl)-6,8-dimethylphenazine","","- C15 H8 F6 N2 -","- C15 H8 F6 N2 -","- C120 H64 F48 N16 -","8","1","LI1060","Banks, R. E.; Madany, I. M.; Pritchard, R. G.","1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine, C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline","Acta Crystallographica Section C","1993","49","11","1988","1990","10.1107/S0108270193005773","","","0.71069","MoKα","","","0.067","","","0.061","","","","","2.483","2.483","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001243","7.5972","0.001","8.9585","0.001","12.672","0.002","73.824","0.011","76.383","0.011","67.823","0.001","758.76","0.18","299","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","HH1060","Tak, H.; Fronczek, F. R.; Fischer, N. H.","Ceratiolin from <i>Ceratiola ericoides</i>","Acta Crystallographica Section C","1993","49","11","1990","1992","10.1107/S0108270193003981","","","1.54184","CuKα","","","0.042","","","0.06","","","","","2.857","2.857","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001244","19.482","0.002","11.8207","0.0007","11.0553","0.0008","90","","90","","90","","2545.9","0.4","295","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H29 N O11 -","- C23 H29 N O13 -","- C92 H116 N4 O52 -","4","1","AB0308","Czarnocki, Z.; Maurin, J. K.","Enantioselective synthesis of isoquinoline alkaloids from simple sugar. I. Structure of an oxaziridine derivative","Acta Crystallographica Section C","1993","49","11","1992","1994","10.1107/S0108270193004433","","","1.54051","CuKα","","","0.0589","","","0.0828","","","","","3.3","3.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001245","7.5137","0.0009","19.178","0.002","27.731","0.006","90","","90","","90","","3996","1.1","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H30 Br N3 O4 -","- C16 H30 Br N3 O4 -","- C128 H240 Br8 N24 O32 -","8","1","AL1042","Elding-Pontén, M.","Structure of tetraethylammonium bromide‒succinimide (1/2)","Acta Crystallographica Section C","1993","49","11","1994","1996","10.1107/S010827019300455X","","","0.71069","MoKα","","","0.036","","","0.041","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001246","21.474","0.004","5.523","0.003","20.161","0.002","90","","98.24","0.01","90","","2366.4","1.4","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C104 H112 Cl8 N8 -","8","1","CD1017","Goeta, A. E.; Punte, G.; Rivero, B. E.","Refinement of the molecular structure of benzhydrylamine hydrochloride","Acta Crystallographica Section C","1993","49","11","1996","1998","10.1107/S0108270193004469","","","0.7093","MoKα","","","0.044","","","0.045","","","","","1.91","1.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001247","11.865","0.003","11.916","0.001","13.55","0.002","90","","112.97","0.02","90","","1763.8","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl3 N -","- C17 H20 Cl3 N -","- C68 H80 Cl12 N4 -","4","1","CD1018","Castelletto, V.; Punte, G.; Rivero, B. E.; Bruno Blanch, L.","Conformation of 4,4'-dichloro-<i>N</i>,<i>N</i>-diethylbenzhydrylamine","Acta Crystallographica Section C","1993","49","11","1998","2000","10.1107/S010827019300143X","","","0.7093","MoKα","","","0.0475","","","0.0496","","","","","2.41","2.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001248","6.882","0.005","17.956","0.003","9.584","0.007","90","","96.06","","90","","1177.7","1.2","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","HA1046","He, Y.; Shi, J.; Su, G.","Structure of ethyl 2-cyano-3-(4-methylphenyl)propenoate","Acta Crystallographica Section C","1993","49","11","2000","2002","10.1107/S0108270193004305","","","0.71073","MoKα","","","0.057","","","0.067","","","","","0.823","0.823","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001249","13.317","0.005","7.624","0.001","19.965","0.008","90","","104.15","0.02","90","","1965.5","1.1","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C21 H24 O2 S2 -","- C21 H24 O2 S2 -","- C84 H96 O8 S8 -","4","1","SH1046","Albert, B.; Jansen, M.; Güther, R.; Vögtle, F.","2,11-Dithia[3.3]metacyclophane-9-carboxylic acid <i>tert</i>-butyl ester","Acta Crystallographica Section C","1993","49","11","2002","2003","10.1107/S0108270193004561","","","0.71069","MoKα","","","0.0558","","","0.051","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001250","20.841","0.002","12.947","0.002","8.168","0.001","90","","90","","90","","2204","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H26 N2 O5 -","- C23 H26 N2 O5 -","- C92 H104 N8 O20 -","4","1","CD1011","Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.","Structure of (<i>Z</i>)-<small>L</small>-Pro-<small>D</small>-(αMe)Phe-OH","Acta Crystallographica Section C","1993","49","11","2003","2005","10.1107/S0108270193004457","","","0.7107","MoKα","","","0.046","","","0.053","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001251","17.03","0.005","15.03","0.004","8.874","0.004","90","","92.87","","90","","2268.5","1.4","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C26 H20 N2 O2 Se2 -","- C26 H20 N2 O2 Se2 -","- C104 H80 N8 O8 Se8 -","4","1","PA1036","Warin, V.; Guelzim, A.; Baert, F.; Galet, V.; Houssin, R.; Lesieur, D.","Structure of bis(2-amino-5-benzoylphenyl) diselenide","Acta Crystallographica Section C","1993","49","11","2005","2007","10.1107/S0108270193003506","","","0.7107","MoKα","","","0.04","","","0.04","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001252","27.961","0.001","8.154","0.004","9.34","0.002","90","","90","","90","","2129.5","1.1","294","1","","","","","","","","","","4","P c a 21","P 2c -2ac","","trans-β-ionyl-1-naphthylurethane","4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl naphthalenecarbamoate","","- C24 H28 N O2 -","- C24 H28 N O2 -","- C96 H112 N4 O8 -","4","1","HA1043","Beddoes, R. L.; Gorman, A. A.; Unett, D. J.","Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene","Acta Crystallographica Section C","1993","49","11","2007","2009","10.1107/S0108270193004627","","","0.71069","MoKα","","","0.083","","","0.081","","","","","2.05","2.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001253","19.214","0.008","12.727","0.005","10.451","0.004","90","","98.65","0.04","90","","2526.6","1.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2,5-diphenylfuryl)-3-(2,5-diphenylthienyl)sulfoxyde","","- C32 H22 O2 S2 -","- C32 H22 O2 S2 -","- C128 H88 O8 S8 -","4","1","PA1041","Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.","Structure du 2,5-diphényl-3-furyl 2,5-diphényl-3-thiényl sulfoxyde","Acta Crystallographica Section C","1993","49","11","2009","2012","10.1107/S0108270193005487","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001254","6.541","0.003","29.591","0.012","5.72","0.002","90","","108.33","0.04","90","","1051","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-N-(2,5-dihydro-5-oxo-2-furanyl)benzamide","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C44 H32 Cl4 N4 O12 -","4","1","PA1058","Ginderow, D.; Valla, A.; Giraud, M.; Michaïlidis, A.; Labia, R.; Morand, A.","Structure du 4-chloro-<i>N</i>-(2,5-dihydro-5-oxo-2-furyl)benzamide, C~11~H~8~CINO~3~","Acta Crystallographica Section C","1993","49","11","2012","2013","10.1107/S0108270193005955","","","1.5418","CuKα","","","0.067","","","0.073","","","","","1.353","1.353","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001255","14.767","0.001","8.243","0.002","15.13","0.001","90","","105.36","0.01","90","","1775.9","0.5","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.046","","","0.064","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001256","10.42","0.003","17.652","0.001","9.697","0.002","90","","90","","90","","1783.6","0.6","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.039","","","0.061","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001257","9.012","0.004","13.272","0.008","7.869","0.006","94.07","0.06","97.79","0.05","88.34","0.04","930","1","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Cl2 O6 -","- C20 H14 Cl2 O6 -","- C40 H28 Cl4 O12 -","2","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.087","","","0.121","","","","","3.7","3.7","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001258","10.176","0.001","12.075","0.002","8.077","0.001","108.88","0.01","112.79","0.01","83.86","0.01","865.6","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","Dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H16 O5 -","- C21 H16 O5 -","- C42 H32 O10 -","2","1","BR1045","Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Structure of dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2018","2019","10.1107/S010827019300575X","","","1.5418","CopperKα","","0.104","0.04","","0.058","0.052","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001259","7.687","0.003","11.553","0.005","16.003","0.008","90","","91.26","0.03","90","","1420.8","1.1","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","cerleaside-A","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","PA1053","Nguyen-Ngoc, S.; Nguyen-Ngoc, H.; Khuong-Huu, F.; Khuong-Huu, Q.; Chiaroni, A.; Riche, C.","Study of cerleaside A, a glycoside from <i>Cerbera odollam</i>","Acta Crystallographica Section C","1993","49","11","2020","2022","10.1107/S0108270193004500","","","1.5418","CuKα","","","0.048","","","0.066","","","","","1.45","1.45","","","","","has coordinates","194455","2020-10-21","18:00:00",""
"2001260","5.73","0.001","15.767","0.006","8.394","0.001","90.09","0.01","104.5","0.02","90.63","0.01","734.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","cis-transoid-cis-7,8-dihydroxytricyclo[7.5.0.0^2,8^]tetradec-1-yl acetate","","- C16 H26 O4 -","- C16 H26 O4 -","- C32 H52 O8 -","2","1","AL1053","Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.","Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives","Acta Crystallographica Section C","1993","49","11","2022","2027","10.1107/S0108270193004718","","","1.54178","CuKᾱ","","0.0512","0.0366","","0.1076","0.0998","","","","1.009","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001261","14.172","0.003","12.174","0.002","11.105","0.002","65.36","0.01","65.09","0.12","63.81","0.01","1495.2","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","cis-cisoid-cis-8,9-dihydroxytricyclo[6.5.0.0^2,7^]tridec-2-yl acetate","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","2","AL1053","Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.","Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives","Acta Crystallographica Section C","1993","49","11","2022","2027","10.1107/S0108270193004718","","","1.54178","CuKᾱ","","0.0817","0.0492","","0.1681","0.1351","","","","0.924","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001262","10.196","0.002","9.233","0.002","20.068","0.004","90","","90.33","0.01","90","","1889.2","0.7","293","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O6 -","- C17 H21 N3 O6 -","- C68 H84 N12 O24 -","4","1","AB1055","Ravikumar, K.; Mehdi, S.","Structure of a cyclohexanone derivative","Acta Crystallographica Section C","1993","49","11","2027","2030","10.1107/S0108270193004809","","","0.71063","MoKα","","","0.056","","","0.053","","","","","1.92","1.92","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001263","9.12","0.003","15.407","0.001","10.573","0.003","90","","103.96","0.01","90","","1441.8","0.6","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","PA1047","Wallet, J.-C.; Gaydou, E. M.; Mas, M.; Molins, E.; Miravitlles, C.","2-(2,3-Dimethoxyphenyl)-6-hydroxy-4<i>H</i>-1-benzopyran-4-one (6-hydroxy-2',3'-dimethoxyflavone)","Acta Crystallographica Section C","1993","49","11","2030","2032","10.1107/S0108270193005177","","","0.71073","MoKα","","","0.053","","","0.084","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001264","19.466","0.005","9.554","0.002","18.936","0.004","90","","117.5","0.02","90","","3123.8","1.4","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C14 H18 O7 S -","- C14 H18 O7 S -","- C112 H144 O56 S8 -","8","1","PA1045","Rodier, N.; Ronco, G.; Julien, R.; Postel, D.; Villa, P.","2,4:3,5-Di-<i>O</i>-méthylène-1-<i>p</i>-toluènesulfonylxylitol","Acta Crystallographica Section C","1993","49","11","2032","2033","10.1107/S0108270193005153","","","1.5418","CuKᾱ","","","0.043","","","0.042","","","","","1.94","1.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001265","11.357","0.001","11.733","0.001","15.205","0.001","91.637","0.008","111.561","0.007","96.03","0.009","1868.9","0.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O2 -","- C19.5 H20 Cl2 N3 O3 -","- C78 H80 Cl8 N12 O12 -","4","2","PA1048","Rodier, N.; Céolin, R.; Agafonov, V.; Toscani, S.; Dugué, J.; Nicolaï, E.; Teulon, J.-M.","Acide 4-{6-chloro-3-(4-chlorobenzyl)imidazo[4,5-<i>b</i>]pyridin-2-yl}-3,3-diméthylbutanoïque","Acta Crystallographica Section C","1993","49","11","2034","2037","10.1107/S0108270193005001","","","1.5418","CuKᾱ","","","0.048","","","0.05","","","","","1.79","1.79","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001266","12.226","0.002","8.565","0.001","12.675","0.001","90","","109.85","0.01","90","","1248.4","0.3","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","PA1049","Rodier, N.; Céolin, R.; Dugué, J.; Lepage, F.","2,6-Diméthyl-<i>N</i>-(5-méthyl-3-isoxazolyl)benzamide","Acta Crystallographica Section C","1993","49","11","2037","2039","10.1107/S0108270193004998","","","1.5418","CuKᾱ","","","0.043","","","0.051","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001267","13.655","0.001","5.562","0.001","17.1","0.002","90","","98.82","0.01","90","","1283.4","0.3","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(2-methylpropylthio)pyridin-2-yl methanesulfonate","","- C10 H15 N O3 S2 -","- C10 H15 N O3 S2 -","- C40 H60 N4 O12 S8 -","4","1","HL1033","Mackay, M. F.; Holan, G.; Wernert, G. T.; Winkler, D. A.","6-(2-Methylpropylthio)-2-pyridyl methanesulfonate","Acta Crystallographica Section C","1993","49","11","2039","2040","10.1107/S0108270193005815","","","1.5418","CopperKα","","","0.041","","","0.059","","","","","1","1","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2001268","13.394","0.008","4.718","0.002","8.084","0.007","90","","103.12","0.02","90","","497.5","0.6","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C26 H18 N2 O4 -","2","1","OH1020","Terao, H.; Kakuta, A.; Fukazawa, Y.","3-Aminoxanthene-9-one","Acta Crystallographica Section C","1993","49","11","2041","2042","10.1107/S010827019300410X","","","0.71073","MoKα","","","0.043","","","0.056","","","","","1.83","1.83","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001269","11.511","0.003","15.654","0.005","12.358","0.005","90","","90","","90","","2226.8","1.3","294","","","","","","","","","","","4","A b a 2","A 2 -2ab","","","","","- C8 H20 I7 N -","- C8 H18 I7 N -","- C32 H72 I28 N4 -","4","","SE1023","Tebbe, K.-F.; Gilles, T.","Verfeinerung der Kristallstruktur des Tetraethylammoniumheptaiodids","Acta Crystallographica Section C","1993","49","11","2042","2045","10.1107/S0108270193003993","","","0.71069","MoKα","","","0.0321","","","0.0306","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001270","8.9562","0.0004","7.1033","0.0003","22.744","0.001","90","","90.017","0.004","90","","1446.94","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-(N-benzylamino)-6-methyl-2-oxo-3-cyclohexene-1-oate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","CR1068","Kubicki, M.; Codding, P. W.","Methyl 4-(benzylamino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, C~16~H~19~NO~3~","Acta Crystallographica Section C","1993","49","11","2045","2046","10.1107/S0108270193006055","","","1.54178","CuKα","","0.0443","0.041","","0.114","0.1115","","","","1.05","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001271","15.214","0.006","19.077","0.008","9.991","0.004","90","","90","","90","","2900","2","","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C7 H13 Br2 N5 O4 Pt -","- C7 H13 Br2 N5 O4 Pt -","- C56 H104 Br16 N40 O32 Pt8 -","8","1","CD1020","Rochon, F. D.; Melanson, R.; Farrell, N.","Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II)","Acta Crystallographica Section C","1993","49","10","1703","1706","10.1107/S0108270193002537","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208226","2020-10-21","18:00:00",""
"2001272","7.155","0.004","20.989","0.009","7.148","0.004","90","","115.37","0.04","90","","969.9","0.9","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H18 Cl2 N6 O6 Pd -","- C12 H18 Cl2 N6 O6 Pd -","- C24 H36 Cl4 N12 O12 Pd2 -","2","0.5","CD1020","Rochon, F. D.; Melanson, R.; Farrell, N.","Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II)","Acta Crystallographica Section C","1993","49","10","1703","1706","10.1107/S0108270193002537","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","190709","2020-10-21","18:00:00",""
"2001273","8.775","0.002","18.848","0.009","25.185","0.008","90","","90","","90","","4165","3","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C20 H18 N4 Ni O2 S2 -","- C20 H18 N4 Ni O2 S2 -","- C160 H144 N32 Ni8 O16 S16 -","8","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.065","","","0.083","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001274","10.593","0.003","18.366","0.004","10.42","0.003","90","","90","","90","","2027.2","0.9","295","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H22 Br2 N2 Ni O2 -","- C20 H16 Br2 N2 Ni O2 -","- C80 H64 Br8 N8 Ni4 O8 -","4","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.054","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001275","8.358","0.002","13.259","0.003","12.87","0.004","106.74","0.02","73.51","0.02","110.54","0.01","1252.1","0.6","295","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 I N2 Ni O2 -","- C24 H19 I N2 Ni O2 -","- C48 H38 I2 N4 Ni2 O4 -","2","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.054","","","0.073","","","","","1.35","1.35","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001276","20.704","0.016","10.287","0.006","16.982","0.008","90","","90","","90","","3617","4","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C41 H39 Cl Cu P3 -","- C41 H39 Cl Cu P3 -","- C164 H156 Cl4 Cu4 P12 -","4","1","HH1044","Fife, D. J.; Mueh, H. J.; Campana, C. F.","Structure of chloro[1,1,1-tris(diphenylphosphinomethyl)ethane]copper(I)","Acta Crystallographica Section C","1993","49","10","1714","1716","10.1107/S0108270193006584","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001277","16.948","0.004","17.163","0.004","17.677","0.006","90","","109.59","0.02","90","","4844","2","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","CR1006","Raptis, R. G.; Staples, R. J.; King, C.; Fackler, Jnr, J. P.","Structure of [3,5-(C~6~H~5~)~2~C~3~H~2~N~2~]~4~. A 3,5-diphenylpyrazole tetramer linked by hydrogen bonds","Acta Crystallographica Section C","1993","49","10","1716","1719","10.1107/S0108270193005980","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001278","11.137","0.001","17.361","0.002","5.5641","0.0004","90","","90","","90","","1075.82","0.18","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C40 H32 Br4 N4 O12 -","4","1","AS1011","Ha, H.-J.; Park, K. P.; Jeong, J. H.","Structure of (<i>E</i>)-3-bromo-4-nitro-4-phenyl-3-buten-2-one","Acta Crystallographica Section C","1993","49","10","1720","1721","10.1107/S0108270193003956","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001279","8.4561","0.0006","8.4561","0.0006","20.82","0.003","90","","90","","90","","1488.7","0.3","","","","","","","","","","","","4","P 41","P 41","","","","","- C15 H23 N2 O2 -","- C15 H23 N2 O2 -","- C60 H92 N8 O8 -","4","1","HA1044","Olszak, T. A.; Grabowski, M. J.; Gwoździński, K.","Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide","Acta Crystallographica Section C","1993","49","10","1722","1723","10.1107/S0108270193005463","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001280","7.927","0.002","6.086","0.002","10.934","0.003","90","","90","","90","","527.5","0.3","291","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O16 Se4 Tl8 -","4","0.5","MU1031","Fábry, J.; Breczewski, T.","Thallium(I) selenate","Acta Crystallographica Section C","1993","49","10","1724","1727","10.1107/S0108270193003373","","","0.71073","MoKα","","","0.0472","","","0.0392","","","","","0.896","0.896","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001281","11.343","0.003","13.078","0.003","6.272","0.001","89.79","0.02","94.36","0.02","104.2","0.02","899.3","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 K2 Li O15 -","- C12 H15 K2 Li O15 -","- C24 H30 K4 Li2 O30 -","2","1","CR1032","Zacharias, D. E.; Glusker, J. P.","Structure of a citrate double salt: potassium dihydrogen citrate‒lithium potassium hydrogen citrate monohydrate","Acta Crystallographica Section C","1993","49","10","1727","1730","10.1107/S0108270193002112","","","0.71069","MoKα","","","0.039","","","0.49","","","","","0.68","0.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001282","10.757","0.002","9.65","0.002","18.918","0.003","90","","90.09","0.01","90","","1963.8","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 K2 O7 -","- C6 H6 K2 O7 -","- C48 H48 K16 O56 -","8","1","CR1033","Zacharias, D. E.; Glusker, J. P.","Structure of dipotassium hydrogen citrate","Acta Crystallographica Section C","1993","49","10","1730","1732","10.1107/S0108270193001477","","","0.71069","MoKα","","","0.04","","","0.051","","","","","2.18","2.18","","","","","has coordinates","198853","2020-10-21","18:00:00",""
"2001283","10.72","0.002","12.467","0.002","9.124","0.002","104.77","0.02","100.12","0.02","111.19","0.02","1049.7","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 O19 Sr3 -","- C12 H20 O19 Sr3 -","- C24 H40 O38 Sr6 -","2","1","CR1034","Zacharias, D. E.; Glusker, J. P.","Structure of strontium citrate pentahydrate","Acta Crystallographica Section C","1993","49","10","1732","1735","10.1107/S0108270193000964","","","1.5418","CuKα","","","0.031","","","0.042","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001284","9.99","0.002","17.875","0.004","12.743","0.002","90","","111.76","0.01","90","","2113.4","0.7","291","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H18 N2 S2 Sn -","- C22 H18 N2 S2 Sn -","- C88 H72 N8 S8 Sn4 -","4","1","AB1057","Schmiedgen, R.; Huber, F.; Preut, H.","Diphenylbis(2-pyridinethiolato)tin(IV)","Acta Crystallographica Section C","1993","49","10","1735","1737","10.1107/S0108270193002781","","","0.71073","MoKα","","","0.031","","","0.042","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001285","13.01","0.003","7.687","0.001","13.412","0.002","90","","103.63","0.02","90","","1303.5","0.4","293","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H30 Cl N6 O3 V -","- C26 H28 Cl N6 O4 V -","- C52 H56 Cl2 N12 O8 V2 -","2","0.5","SH1042","Neves, A.; Hörner, M.; Fenner, H.; Strähle, J.","Structure of dioxo[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]vanadium(V) chloride monohydrate, [VO~2~(tpen)]Cl.H~2~O","Acta Crystallographica Section C","1993","49","10","1737","1739","10.1107/S0108270193003105","","","0.71069","MoKα","","","0.048","","","0.052","","","","","0.844","0.844","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001286","10.197","0.002","12.007","0.003","11.075","0.002","90","","110.16","0.02","90","","1272.9","0.5","20","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 As Cl5 Cu2 -","- C4 H12 As Cl5 Cu2 -","- C16 H48 As4 Cl20 Cu8 -","4","1","AB1031","Murray, K.; Willett, R. D.","Tetramethylarsonium pentachlorodicuprate(II)","Acta Crystallographica Section C","1993","49","10","1739","1741","10.1107/S0108270193003853","","","0.71069","MoKα","","","0.0417","","","0.0594","","","","","1.581","1.581","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2001287","11.763","0.004","13.598","0.005","14.635","0.004","87.66","0.03","66.45","0.02","86.44","0.03","2141.5","1.3","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Fe3 O7 P2 Te2 -","- C43 H30 Fe3 O7 P2 Te2 -","- C86 H60 Fe6 O14 P4 Te4 -","2","1","HH1039","Rheingold, A. L.; Ostrander, R. L.; Mathur, P.","Heptacarbonylbis(triphenylphosphine)bis(μ~3~-tellurium)-triiron","Acta Crystallographica Section C","1993","49","10","1741","1743","10.1107/S0108270193003075","","","0.71073","MoKα","","","0.0271","","","0.0323","","","","","0.997","0.997","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001288","18.178","0.007","22.16","0.011","24.421","0.008","90","","93.64","0.04","90","","9818","7","295","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C44.5 H Br8 Cl F20 N4 Ni -","- C44.5 H Br8 Cl F20 N4 Ni -","- C356 H8 Br64 Cl8 F160 N32 Ni8 -","8","1","HH1023","Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.","Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes","Acta Crystallographica Section C","1993","49","10","1743","1747","10.1107/S0108270193003051","","","0.71073","MoKα","","","0.042","","","","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001289","18.099","0.004","22.326","0.004","24.303","0.005","90","","92.31","","90","","9812","3","294","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C44.5 H Br8 Cl Cu F20 N4 -","- C44.5 H Br8 Cl Cu F20 N4 -","- C356 H8 Br64 Cl8 Cu8 F160 N32 -","8","1","HH1023","Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.","Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes","Acta Crystallographica Section C","1993","49","10","1743","1747","10.1107/S0108270193003051","","","0.71073","MoKα","","","0.047","","","","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001290","14.506","0.002","14.823","0.002","19.243","0.002","90","","90","","90","","4137.7","0.9","298","3","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H29 Cl2 Cu N5 O9 -","- C10 H29 Cl2 Cu N5 O9 -","- C80 H232 Cl16 Cu8 N40 O72 -","8","1","AS1026","Lu, T.-H.; Tahirov, T. H.; Bin, C.-K.; Hsiao, C.-D.; Liu, Y.-L.; Lee, J.-C.; Chung, C.-S.","Structure of (2,5,8,11,14-pentaazapentadecane)copper(II) diperchlorate monohydrate","Acta Crystallographica Section C","1993","49","10","1747","1749","10.1107/S010827019300280X","","","1.54178","CuKα","","","0.048","","","0.049","","","","","10.44","10.44","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2001291","10.327","0.004","11.306","0.003","18.427","0.006","90","","90","","90","","2151.5","1.2","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 Cr N O5 Si -","- C22 H16 Cr N O5 Si -","- C88 H64 Cr4 N4 O20 Si4 -","4","1","ST1037","Heaton, S. B.; Jones, G. B.; Pennington, W. T.","Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid","Acta Crystallographica Section C","1993","49","10","1749","1753","10.1107/S0108270193003026","","","0.71073","MoKα","","","0.0383","","","0.0485","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001292","10.183","0.003","11.618","0.004","18.29","0.005","90","","90","","90","","2163.8","1.1","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 Cr N O5 Si -","- C19 H25 Cr N O5 Si -","- C76 H100 Cr4 N4 O20 Si4 -","4","1","ST1037","Heaton, S. B.; Jones, G. B.; Pennington, W. T.","Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid","Acta Crystallographica Section C","1993","49","10","1749","1753","10.1107/S0108270193003026","","","0.71073","MoKα","","","0.0289","","","0.0369","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001293","10.612","0.004","13.902","0.007","17.898","0.006","90","","104.62","0.03","90","","2555","1.9","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C29 H25 P S Te -","- C29 H22 P S Te -","- C116 H88 P4 S4 Te4 -","4","1","ST1024","Zhao, J.; Kolis, J. W.; Pennington, W. T.","Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex","Acta Crystallographica Section C","1993","49","10","1753","1756","10.1107/S010827019300232X","","","0.71073","MoKα","","","0.0486","","","0.0552","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001294","9.632","0.003","17.067","0.004","25.04","0.005","90","","90","","90","","4116.3","1.8","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C39 H35 Hg P S3 Te3 -","- C39 Hg P S3 Te3 -","- C156 Hg4 P4 S12 Te12 -","4","1","ST1024","Zhao, J.; Kolis, J. W.; Pennington, W. T.","Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex","Acta Crystallographica Section C","1993","49","10","1753","1756","10.1107/S010827019300232X","","","0.71073","MoKα","","","0.053","","","0.0566","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001295","7.607","0.002","17.091","0.004","8.416","0.002","90","","94.18","0.03","90","","1091.3","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu N8 O6 -","- C10 H9 Cu0.5 N4 O3 -","- C20 H18 Cu N8 O6 -","2","1","AL1036","Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M.","Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate","Acta Crystallographica Section C","1993","49","10","1756","1761","10.1107/S0108270193002859","","","0.71069","MoKα","","","0.0426","","","0.0426","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001296","7.309","0.001","10.917","0.001","11.183","0.002","83.45","0.01","76.7","0.01","73.36","0.01","830.9","0.2","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cu N3 O5 -","- C14 H17 Cu N3 O5 -","- C28 H34 Cu2 N6 O10 -","2","1","AL1036","Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M.","Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate","Acta Crystallographica Section C","1993","49","10","1756","1761","10.1107/S0108270193002859","","","0.71069","MoKα","","","0.071","","","0.071","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001297","6.895","0.001","9.181","0.001","6.3377","0.0008","105.24","0.01","108.2","0.01","99.45","0.01","354.2","0.09","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","OH1018","Okabe, N.; Nakamura, T.; Fukuda, H.","Structure of the copper(II) complex isonicotinic acid","Acta Crystallographica Section C","1993","49","10","1761","1762","10.1107/S010827019300318X","","","0.71069","MoKα","","","0.033","","","0.041","","","","","1.68","1.68","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001298","13.08","0.003","11.667","0.007","7.8001","0.0001","90","","90","","90","","1190.3","0.8","296","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","0.5","HA1028","Toerien, J. G.; Dillen, J. L. M.","Structure of [Ru(η^6^-C~7~H~8~)(acetylacetonato)Cl]","Acta Crystallographica Section C","1993","49","10","1762","1764","10.1107/S0108270193003002","","","0.7107","MoKα","","","0.038","","","0.025","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001299","13.824","0.007","6.178","0.008","17.844","0.006","90","","112.26","0.03","90","","1410","2","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H11 Co N2 S2 -","- C15 H11 Co N2 S2 -","- C60 H44 Co4 N8 S8 -","4","1","MU1042","Armstrong, E. M.; Austerberry, M. S.; Beddoes, R. L.; Helliwell, M.; Joule, J. A.; Garner, C. D.","Structure of (η^5^-cyclopentadienyl)[1-(2-quinoxalinyl)ethene-1,2-dithiolato]cobalt(III), [(η^5^-C~5~H~5~)Co{S~2~C~2~H(2-quinoxalinyl)}]","Acta Crystallographica Section C","1993","49","10","1764","1766","10.1107/S0108270193003452","","","0.71069","MoKα","","","0.043","","","0.043","","","","","1.33","1.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001300","11.8271","0.0004","11.9869","0.0004","13.0821","0.0005","90","","90","","90","","1854.65","0.11","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H12 Cl2 Pd -","- C8 H12 Cl2 Pd -","- C64 H96 Cl16 Pd8 -","8","1","HH1058","Kumar, R.; Maverick, A. W.; Fronczek, F. R.; Doyle, J. R.; Baenziger, N. C.; Howells, M. A. M.","The <i>Pbca</i> polymorph of dichloro(η^4^-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1993","49","10","1766","1767","10.1107/S0108270193003889","","","0.71073","MoKα","","","0.022","","","0.029","","","","","1.455","1.455","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001301","9.387","0.005","9.507","0.005","21.279","0.008","90","","92.63","0.04","90","","1897","1.6","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 N2 O14 U2 -","- C17 H17 N O7 U -","- C34 H34 N2 O14 U2 -","2","1","PA1039","Navaza, A.; Iroulart, M. G.; Nierlich, M.; Lance, M.; Vigner, J.","Bis(μ-benzoato-κ<i>O</i>:κ<i>O</i>')-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)dioxouranium(VI)]","Acta Crystallographica Section C","1993","49","10","1767","1770","10.1107/S0108270193003518","","","0.71073","MoKα","","","0.025","","","0.028","","","","","2.4","2.4","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001302","14.33","0.003","7.3123","0.0006","7.236","0.001","90","","115.85","","90","","682.36","0.18","295","","","","","","","","","","","5","C 1 2/m 1","-C 2y","","","","","- C10 H10 Cl4 N2 Ta -","- C10 H10 Cl4 N2 Ta -","- C20 H20 Cl8 N4 Ta2 -","2","0.25","ST1043","Miller, G. J.; Lin, J.; Young, Jnr, V.","Structure and bonding in [TaCl~4~(C~5~H~5~N)~2~]","Acta Crystallographica Section C","1993","49","10","1770","1773","10.1107/S0108270193003919","","","0.71073","MoKα","","","0.042","","","0.059","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001303","13.784","0.004","22.51","0.004","13.409","0.003","90","","90","","90","","4160.5","1.7","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-N,N-di-p-toluenesulphonamidoquinoline","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C184 H160 N16 O32 S16 -","8","1","AS1053","Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.","8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline","Acta Crystallographica Section C","1993","49","10","1775","1777","10.1107/S0108270193002689","","","0.7107","MoKα","","","0.055","","","0.056","","","","","3.02","3.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001304","12.647","0.006","8.277","0.001","13.551","0.006","90","","95.88","0.03","90","","1411","0.9","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","LI1044","Palmer, R. A.; Puddle, N.; Lisgarten, J. N.","<i>N</i>-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide hydrate: an anticonvulsant drug exhibiting solid-state rotational disorder","Acta Crystallographica Section C","1993","49","10","1777","1779","10.1107/S0108270193002768","","","1.54178","CuKα","","","0.048","","","0.0501","","","","","","","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:43",""
"2001305","8.9413","0.0008","7.434","0.001","10.686","0.002","90","","101.27","0.01","90","","696.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H6 N4 O7 -","- C14 H6 N4 O7 -","- C28 H12 N8 O14 -","2","1","SH1037","Ramm, M.; Kind, J.; Niclas, H.-J.","Structure of 5,7-dinitro-2,1,3-benzoxadiazol-4-yl phenyl diketone","Acta Crystallographica Section C","1993","49","10","1779","1781","10.1107/S0108270193001659","","","0.71073","MoKα","","","0.032","","","0.042","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001306","10.1029","0.0007","14.5274","0.0009","10.8606","0.0006","90","","109.922","0.005","90","","1498.61","0.17","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H13 N3 S Se -","- C16 H13 N3 S Se -","- C64 H52 N12 S4 Se4 -","4","1","HU1038","Billing, D. G.; Boeyens, J. C. A.; Haag, W.; Lai, L.-L.; Reid, D. H.","Structure of 5,10-dihydro-3-phenylimino-1,2,4-thiaselenazolo[4,5-<i>b</i>][2,4]benzodiazepine","Acta Crystallographica Section C","1993","49","10","1781","1783","10.1107/S0108270193001611","","","0.71069","MoKα","","","0.0431","","","0.0349","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001307","12.478","0.001","6.223","0.001","23.024","0.011","90","","96.36","0.03","90","","1776.8","0.9","298","","298","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5H- benzo[c]fluorene","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","HH1040","Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J.","6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene","Acta Crystallographica Section C","1993","49","10","1783","1786","10.1107/S0108270193001647","","","0.71069","MoKα","","","","","","","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001308","10.543","0.003","11.4","0.003","10.444","0.003","106.9","0.02","77.24","0.02","107.96","0.02","1130.6","0.6","298","","298","","","","","","","","","2","P -1","-P 1","2","","9-Methyl-1,3,9-triphenyl-4aH-fluorene.","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","1","HH1040","Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J.","6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene","Acta Crystallographica Section C","1993","49","10","1783","1786","10.1107/S0108270193001647","","","0.71069","MoKα","","","","","","","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001309","8.934","0.003","11.556","0.004","14.884","0.006","90","","90","","90","","1536.6","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2R-[2α,3α,6β,9α]- hexahydropyrido [2,1-b][1,3,4] oxadiazin","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","1","PA1042","Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.","X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre","Acta Crystallographica Section C","1993","49","10","1786","1789","10.1107/S0108270193002136","","","1.5418","CuKα","","","0.041","","","0.06","","","","","0.82","0.82","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001310","11.756","0.004","7.564","0.003","17.261","0.008","90","","99.78","0.05","90","","1512.6","1.1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2S-[2β,3α,6β,9β]- hexahydropyrido [2,1-b][1,3,4] oxadiazin","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","2","PA1042","Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.","X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre","Acta Crystallographica Section C","1993","49","10","1786","1789","10.1107/S0108270193002136","","","1.5418","CuKα","","","0.052","","","0.064","","","","","0.51","0.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001311","13.98","0.004","14.788","0.003","5.119","0.003","90","","90","","90","","1058.3","0.7","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","β-cytidine","4-amino-1-β-D-ribofuranosyl-2(1H)-pyrimidinone","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","AB1018","Ward, D. L.","β-Cytidine, C~9~H~13~N~3~O~5~","Acta Crystallographica Section C","1993","49","10","1789","1792","10.1107/S0108270193003464","","","0.71069","MoKα","","0.0615","0.0287","","0.0392","0.033","","","","","1.28","1.28","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001312","6.623","0.003","18.411","0.004","15.631","0.005","90","","96.75","0.02","90","","1892.8","1.1","150","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","2","BR1032","Parvez, M.; Bai, Y.; Sun, F.; Benn, M. H.","Delnuttaline, (6β,9β,13β)-13-acetoxy-6,9-dihydroxyhetisan-2-one","Acta Crystallographica Section C","1993","49","10","1871","1873","10.1107/S0108270193002525","","","0.71069","MoKα","","","0.048","","","0.047","","","","","2.43","2.43","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001313","9.315","0.001","11.162","0.001","7.657","0.001","108.42","0.01","93.98","0.01","98.9","0.01","740.28","0.15","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 F -","- C20 H19 F -","- C40 H38 F2 -","2","1","GR1009","Gallucci, J. C.; Sharma, P. K.; Black, S. D.; Rinderle, S. J.; Witiak, D. T.","Structure of 6-fluoro-1,2,3,4,7,12-hexahydro-7-methyl-12-methylenebenz[<i>a</i>]anthracene","Acta Crystallographica Section C","1993","49","10","1868","1871","10.1107/S0108270193003713","","","0.71073","MoKα","","","0.041","","","0.046","","","","","1.44","1.44","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001314","7.2471","0.0004","7.2644","0.0004","14.2762","0.0009","85.504","0.005","81.588","0.005","75.323","0.004","718.57","0.07","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Br N O2 -","- C13 H20 Br N O2 -","- C26 H40 Br2 N2 O4 -","2","1","ST1053","Keblys, V. E.; Garcia, J. G.; Gandour, R. D.; Fronczek, F. R.; Watkins, S. F.","(Benzoylmethyl)(3-hydroxypropyl)dimethylammonium bromide","Acta Crystallographica Section C","1993","49","10","1867","1868","10.1107/S0108270193003610","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.665","1.665","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001315","16.356","0.004","8.07","0.002","18.379","0.003","90","","114.55","0.01","90","","2206.6","0.9","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,7-Diphenyl-5,6,10,11-Dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one","","- C32 H24 O -","- C32 H24 O -","- C128 H96 O4 -","4","1","CR1058","Kashyap, R. P.; Watson, W. H.; Balcı, M.; Taskesenligil, Y.","3,7-Diphenyl-5,6;10,11-dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one","Acta Crystallographica Section C","1993","49","10","1865","1866","10.1107/S0108270193004470","","","1.54178","CuKα","","","0.0488","","","0.0513","","","","","4.187","4.187","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001316","6.357","0.001","11.429","0.001","11.706","0.001","61.87","0.01","85.52","0.01","87.56","0.01","747.72","0.16","295","","295","","","","","","","","","2","P -1","-P 1","2","","8-Pentacyclo[6.3.0^2,6^.0^3,10^.0^5,9^]undec-3-yl-exo-pentacyclo-[5.4.0.^2,6^.0 ^3,10^.0^5,9^]undecane.","","- C22 H26 -","- C22 H26 -","- C44 H52 -","2","1","HH1068","Watson, W. H.; Kashyap, R. P.; Marchand, A. P.; Deshpande, M. N.","8-Pentacyclo[6.3.0.0^2,6^.0^3,10^.0^5,9^]undec-3'-yl-<i>exo</i>-pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","1993","49","10","1862","1865","10.1107/S0108270193003907","","","0.71073","MoKα","","","0.0504","","","0.0651","","","","","1.371","1.371","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001317","21.972","0.002","9.2992","0.0006","12.486","0.001","90","","90","","90","","2551.2","0.4","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","AB1054","Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.","Structures of two hexacyclic cage diketone monoacetals","Acta Crystallographica Section C","1993","49","10","1859","1862","10.1107/S0108270193003865","","","0.71073","MoKα","","","0.044","","","0.045","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001318","8.726","0.006","10.013","0.005","10.322","0.007","96.26","0.05","109.63","0.05","91.24","0.05","842.8","1","175","","","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","AB1054","Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.","Structures of two hexacyclic cage diketone monoacetals","Acta Crystallographica Section C","1993","49","10","1859","1862","10.1107/S0108270193003865","","","0.71073","MoKα","","","0.051","","","0.052","","","","","1.18","1.18","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001319","5.856","0.005","21.758","0.004","14.495","0.004","90","","98.16","0.05","90","","1828.2","1.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane","","- C19 H26 O5 S -","- C21 H30 O5 S -","- C84 H120 O20 S4 -","4","1","LI1033","Baker, E. N.; Brimble, M. A.; Norris, G. E.; Quail, J. W.; Rush, C. A.","Structure of a bis-spiroacetal, <i>cis</i>-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane","Acta Crystallographica Section C","1993","49","10","1857","1859","10.1107/S0108270193004135","","","0.7093","MoKα","","0.085","0.051","","0.07","0.061","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001320","13.25","0.001","10.054","0.001","19.496","0.001","90","","90","","90","","2597.2","0.4","298","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.046","","","0.043","","","","","3.85","3.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001321","10.326","0.003","6.706","0.002","9.761","0.005","90","","101.05","0.04","90","","663.4","0.4","299","2","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.045","","","0.049","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001322","18.73","0.003","9.63","0.002","7.218","0.001","90","","94.92","0.02","90","","1297.1","0.4","297","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.048","","","0.035","","","","","3.15","3.15","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001323","14.276","0.001","10.984","0.002","17.117","0.003","90","","90","","90","","2684.1","0.7","299","2","","","","","","","","","","3","P b c n","-P 2n 2ab","","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.054","","","0.033","","","","","2.33","2.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001324","13.155","0.009","33.433","0.005","14.634","0.005","90","","90","","90","","6436","5","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C29 H38 I O9 P -","- C29 H36 I O9 P -","- C232 H288 I8 O72 P8 -","8","1","HA1047","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Structure of methyltris(2,4,6-trimethoxyphenyl)phosphonium iodide ethanol solvate","Acta Crystallographica Section C","1993","49","10","1852","1854","10.1107/S0108270193004317","","","0.71069","MoKα","","","0.059","","","0.081","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001325","8.078","0.002","19.274","0.005","12.686","0.003","90","","102.85","0.02","90","","1925.7","0.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","endo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane","","- C16 H23.5 N O3.5 -","- C17 H26 N O8.5 -","- C68 H104 N4 O34 -","4","1","NA1040","Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F.","Structures of <i>endo</i>- and <i>exo</i>-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2<i>H</i>-pyran","Acta Crystallographica Section C","1993","49","10","1850","1852","10.1107/S0108270193004202","","","0.71073","MoKα","","0.0595","0.0482","","0.1326","0.1195","","","","1.062","1.06","1.06","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2001326","9.016","0.002","9.038","0.002","10.85","0.002","104.6","0.02","91.6","0.02","91.48","0.02","854.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","exo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane","","- C15 H21 N O8 -","- C15 H21 N O8 -","- C30 H42 N2 O16 -","2","1","NA1040","Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F.","Structures of <i>endo</i>- and <i>exo</i>-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2<i>H</i>-pyran","Acta Crystallographica Section C","1993","49","10","1850","1852","10.1107/S0108270193004202","","","0.71073","MoKα","","0.0471","0.0401","","0.1124","0.101","","","","1.058","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001327","8.276","0.001","8.819","0.001","12.045","0.002","110.19","0.01","92.61","0.01","106.84","0.01","779.3","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N2 P -","- C15 H21 N2 P -","- C30 H42 N4 P2 -","2","1","ST1047","Abboud, K. A.; Villanueva, L. A.; Boncella, J. M.","Structure of a phosphazene–aniline compound","Acta Crystallographica Section C","1993","49","10","1848","1850","10.1107/S0108270193002343","","","0.71073","MoKα","","","0.0546","","","0.0658","","","","","2.13","2.13","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001328","6.616","0.001","8.661","0.001","11.693","0.001","77.79","0.01","87.14","0.01","69.02","0.01","611.21","0.14","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","1","0.5","ST1046","Abboud, K. A.; Smith, Jnr, D. W.; Wagener, K. B.","Structure of cyclo-1,1',4,4'-bis(1,1,3,3-tetramethyl-1,3-disiloxanediyl)dibenzene","Acta Crystallographica Section C","1993","49","10","1845","1848","10.1107/S0108270193002331","","","0.71073","MoKα","","","0.0516","","","0.0655","","","","","2.25","2.25","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001329","6.644","0.002","14.531","0.003","9.413","0.001","90","","103.57","0.02","90","","883.4","0.3","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C32 H36 Cl4 N16 -","4","1","OH1021","Okabe, N.; Fukuda, H.; Nakamura, T.","Structure of hydralazine hydrochloride","Acta Crystallographica Section C","1993","49","10","1844","1845","10.1107/S0108270193003762","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001330","7.131","0.001","10.852","0.004","29.553","0.008","90","","91.85","0.02","90","","2285.8","1.1","290","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C25 H16 N4 O9 -","- C25 H19 N4 O9 -","- C100 H76 N16 O36 -","4","1","CD1015","Baldwin, S. L.; Baughman, R. G.","Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone‒1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone‒3,6-dimethylphenanthrene (1/1) (II)","Acta Crystallographica Section C","1993","49","10","1840","1844","10.1107/S0108270193002446","","","1.54184","CuKα","","","0.063","","","0.046","","","","","3.77","3.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001331","12.84","0.004","15.072","0.004","14.439","0.003","90","","114.54","0.02","90","","2541.9","1.2","290","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N4 O9 -","- C29 H24 N4 O9 -","- C116 H96 N16 O36 -","4","1","CD1015","Baldwin, S. L.; Baughman, R. G.","Structure of the charge-transfer complexes 2,4,5,7-tetranitro-9-fluorenone–1-ethylnaphthalene (1/1) (I) and 2,4,5,7-tetranitro-9-fluorenone–3,6-dimethylphenanthrene (1/1) (II)","Acta Crystallographica Section C","1993","49","10","1840","1844","10.1107/S0108270193002446","","","1.54184","CuKα","","","0.05","","","0.031","","","","","1.9","1.9","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001332","12.764","0.002","5.768","0.002","20.129","0.005","90","","96.18","0.02","90","","1473.3","0.7","122","","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(dl)-trans-3-Hydroxy-5-iodomethyl-2,2-diphenyl-tetrahydrofuran","","- C17 H17 I O2 -","- C17 H17 I O2 -","- C68 H68 I4 O8 -","4","1","AB1063","Frydenvang, K.","Structure determinations of (<i>dl</i>)-<i>trans</i>-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (<i>dl</i>)-<i>trans</i>-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide","Acta Crystallographica Section C","1993","49","10","1837","1840","10.1107/S0108270193003944","","","1.5418","CuKα","","","0.047","","","0.063","","","","","1.305","1.305","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001333","10.599","0.002","9.27","0.003","19.641","0.004","90","","96.17","0.01","90","","1918.6","0.8","122","","122","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyl-5-tetrahydrofuryl)- methylammonium iodide","","- C20 H26 I N O2 -","- C20 H26 I N O2 -","- C80 H104 I4 N4 O8 -","4","1","AB1063","Frydenvang, K.","Structure determinations of (<i>dl</i>)-<i>trans</i>-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (<i>dl</i>)-<i>trans</i>-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide","Acta Crystallographica Section C","1993","49","10","1837","1840","10.1107/S0108270193003944","","","0.71073","MoKα","","","0.039","","","0.052","","","","","2.323","2.323","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001334","12.708","0.001","13.131","0.001","7.444","0.001","90","","90","","90","","1242.2","0.2","122","","122","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-muscarone iodide","(-)-cis-N,N,N-Trimethyl-(2(S)-methyl-3-oxotetrahydro-5(S)-furyl)methylammonium iodide","","- C9 H18 I N O2 -","- C12 H18 I -","- C48 H72 I4 -","4","1","AB1062","Frydenvang, K.; Jensen, B.","Structure of (‒)-muscarone iodide","Acta Crystallographica Section C","1993","49","10","1834","1837","10.1107/S0108270193003932","","","0.71073","MoKα","","","0.031","","","0.037","","","","","1.505","1.505","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001335","12.4588","0.0011","7.8993","0.0005","13.222","0.002","90","","90","","90","","1301.3","0.2","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","BR1031","Davis, D. S.; Fronczek, F. R.; Gandour, R. D.","Ethynylenebis(2-methoxybenzene)","Acta Crystallographica Section C","1993","49","10","1833","1834","10.1107/S0108270193002732","","","1.54184","CuKα","","","0.039","","","0.063","","","","","4.054","4.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001336","8.2844","0.0004","11.9757","0.001","14.5732","0.0006","68.929","0.005","89.855","0.004","71.337","0.005","1267.82","0.15","293","","293","","","","","","","","","3","P -1","-P 1","2","","(trans-anti-cis)tetramethyl-1-(methoxymethoxymethyl)tricyclo[9.4.0.0^2,8^] pentadec-9-ene-5,5,13,13-tetracarboxylate","","- C26 H38 O10 -","- C26 H38 O10 -","- C52 H76 O20 -","2","1","CD1042","Michel, A. G.; Drouin, M.","Functionalized hydrocarbons with condensed ring skeletons. XV. A (methoxymethoxymethyl)tricyclo[9.4.0.0^2,8^]pentadec-9-ene","Acta Crystallographica Section C","1993","49","10","1830","1833","10.1107/S0108270193002756","","","0.7093","MoKα","","0.069","0.039","","0.031","0.028","","","","","1.58","1.58","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001337","11.747","0.004","9.2937","0.001","12.983","0.003","90","","99.63","0.019","90","","1397.4","0.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-trans-1,10-cis-1-methoxycardonyl-8,14-dioxotricyclo[8.4.0.0^2,7^]tetradec- 6-ene","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","CD1041","Michel, A. G.; Drouin, M.","Functionalized hydrocarbons with condensed ring skeletons. XIV. A dioxotricyclo[8.4.0.0^2,7^]tetradec-6-ene","Acta Crystallographica Section C","1993","49","10","1828","1830","10.1107/S0108270193002975","","","0.7093","MoKα","","0.048","0.034","","0.032","0.03","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001338","6.669","0.002","14.842","0.001","7.7","0.001","90","","96.58","0.01","90","","757.1","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phosphinoalanine monohydrate, 2-amino-3-phosphinopropanoic acid monohydrate","2-Amino-2-carboxyethylphosphinic acid monohydrate","","- C3 H10 N O5 P -","- C3 H10 N O5 P -","- C12 H40 N4 O20 P4 -","4","1","HA1053","Schwalbe, C. H. W.; Freeman, S.; DasGupta, M.","2-Amino-2-carboxyethylphosphinic acid monohydrate","Acta Crystallographica Section C","1993","49","10","1826","1828","10.1107/S0108270193003683","","","0.71069","MolybdenumKα","","","0.03","","","0.047","","","","","0.44","0.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001339","7.244","0.007","9.959","0.009","13.727","0.001","90","","102.2","0.1","90","","967.9","1.3","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O -","- C22 H36 O -","- C44 H72 O2 -","2","1","LI1047","Decanniere, K.; Maes, D.; Lisgarten, J. N.; Zegers, I.; Biesemans, M.","Structure of 23,24-dinor-5α-cholan-12-one","Acta Crystallographica Section C","1993","49","10","1824","1826","10.1107/S0108270193003336","","","1.5418","CuKα","","","0.0491","","","0.0617","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001340","7.298","0.0003","16.0475","0.0008","7.9701","0.0003","90","","108.289","0.004","90","","886.26","0.07","298","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","CD1038","Garcia, J. G.; Enas, J. D.; Fronczek, F. R.","Structure of a 2-acylindan-1-one","Acta Crystallographica Section C","1993","49","10","1823","1824","10.1107/S0108270193002963","","","0.71073","MoKα","","","0.039","","","0.047","","","","","2.261","2.261","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001341","9.371","0.002","10.14","0.004","19.471","0.002","90","","91.32","0.01","90","","1849.7","0.9","292","","292","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyano-4-(2-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","KA1035","Angelova, O.; Macíček, J.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(<i>n</i>-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","1993","49","10","1813","1818","10.1107/S0108270193003695","","","0.71073","MoKα","","","0.038","","","0.046","","","","","1.297","1.297","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001342","10.216","0.001","7.706","0.001","23.933","0.003","90","","100.13","0.01","90","","1854.7","0.4","292","","292","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyano-4-(3-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","KA1035","Angelova, O.; Macíček, J.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(<i>n</i>-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","1993","49","10","1813","1818","10.1107/S0108270193003695","","","0.71073","MoKα","","","0.043","","","0.056","","","","","1.606","1.606","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001343","9.319","0.001","10.391","0.001","10.953","0.001","116.41","0.01","103","0.01","91.49","0.01","915.87","0.19","292","","292","","","","","","","","","4","P -1","-P 1","2","","3-cyano-4-(4-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","KA1035","Angelova, O.; Macíček, J.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(<i>n</i>-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","1993","49","10","1813","1818","10.1107/S0108270193003695","","","0.71073","MoKα","","","0.042","","","0.051","","","","","1.435","1.435","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001344","6.103","0.001","12.04","0.001","18.997","0.002","90","","90","","90","","1395.9","0.3","294","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","","","","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","HA1041","Beddoes, R. L.; Gorman, A. A.; McNeeney, S. P.","Structure of 2,3-diphenyl-2-norbornene: comparison with data for a <i>cis</i>-stilbene","Acta Crystallographica Section C","1993","49","10","1811","1813","10.1107/S0108270193002914","","","0.71069","MoKα","","","0.05","","","0.051","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001345","8.283","0.002","6.428","0.002","12.707","0.003","90","","101.39","0.02","90","","663.2","0.3","178","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C2 F4 O4 P4 S4 -","- C2 F4 O4 P4 S4 -","- C4 F8 O8 P8 S8 -","2","0.5","HA1040","Jones, P. G.; Weinkauf, A.","9,9,10,10-Tetrafluoro-1,3,5,7-tetrathio-2,4,6,8-tetraaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1^3,7^]decane, P~4~O~4~(CF~2~)~2~S~4~: a cage structure related to P~4~O~6~","Acta Crystallographica Section C","1993","49","10","1810","1811","10.1107/S0108270193003014","","","0.71069","MoKα","","","0.027","","","0.038","","","","","2","2","","","","","has coordinates","203415","2020-10-21","18:00:00",""
"2001346","10.622","0.001","11.249","0.002","9.654","0.001","90","","113.9","0.01","90","","1054.6","0.3","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","SH1043","Aebi, R.; Buechel, R.; Bürgi, H.-B.; Foertsch, M.; Venugopalan, P.","5-Methoxy-3,3a,8,8a-tetrahydro-1<i>H</i>-cyclopenta[<i>a</i>]inden-2-one","Acta Crystallographica Section C","1993","49","10","1808","1809","10.1107/S0108270193003117","","","0.71069","MoKα","","","0.039","","","0.058","","","","","0.875","0.875","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001347","13.407","0.009","8.483","0.008","9.94","0.008","90","","90","","90","","1130.5","1.6","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","N-Fluoroquinuclidinium Triflate","N-Fluoroquinuclidinium Trifluoromethanesulfonate","","- C8 H13 F4 N O3 S -","- C8 H13 F4 N O3 S -","- C32 H52 F16 N4 O12 S4 -","4","0.5","AL1049","Banks, R. E.; Pritchard, R. G.; Sharif, I.","<i>N</i>-Fluoroquinuclidinium trifluoromethanesulfonate (triflate): a novel electrophilic fluorinating agent","Acta Crystallographica Section C","1993","49","10","1806","1807","10.1107/S0108270193003646","","","0.71069","MoKα","","","0.0557","","","0.0718","","","","","2.692","2.692","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001348","15.233","0.0008","8.1208","0.0005","15.6685","0.0008","90","","93.132","0.004","90","","1935.36","0.19","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","endo-(5S^*^,6S^*^,11R^*^,12R^*^)-5,6,11,12-Tetrahydro-5,6-dihydroxy-4,11,12- trimethoxy-9,13,13-trimethyl-6,10-methano-8(7H)-benzocyclodecenone","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","AS1058","Kamei, S.; Sakai, Y.; Ohashi, Y.; Tsuruta, K.; Horiguchi, Y.; Kuwajima, I.","Structure of <i>endo</i>-(5<i>S</i>*,6<i>S</i>*,11<i>R</i>*,12<i>R</i>*)-5,6,11,12-tetrahydro-5,6-dihydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-6,10-methano-8(7<i>H</i>)-benzocyclodecenone","Acta Crystallographica Section C","1993","49","10","1802","1804","10.1107/S0108270193003968","","","1.54178","CuKα","","","0.0523","","","0.0648","","","","","2.044","2.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001349","8.087","0.003","9.365","0.001","6.2","0.001","98.45","0.01","98.19","0.03","99.75","0.02","451","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","(3R^*^,6S^*^)-3,6-Bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene","","- C16 H32 O4 -","- C16 H32 O4 -","- C16 H32 O4 -","1","0.5","AS1056","Nemoto, T.; Ohashi, Y.; Arai, M.; Nakamura, E.","Structure of (3<i>R</i>*,6<i>S</i>*)-3,6-bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene","Acta Crystallographica Section C","1993","49","10","1801","1802","10.1107/S0108270193003440","","","0.71069","MoKα","","","0.058","","","0.035","","","","","3.01","3.01","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2001350","13.436","0.002","7.001","0.002","20.698","0.003","90","","93.56","0.02","90","","1943.2","0.7","299","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C22 H26 O2 Si -","- C22 H26 O2 Si -","- C88 H104 O8 Si4 -","4","1","BR1034","Delord, T. J.; Fronczek, F. R.; Betancourt de Perez, R. M.; Larson, G. L.","Structure of an α-(methyldiphenylsilyl)-γ-lactone","Acta Crystallographica Section C","1993","49","10","1799","1801","10.1107/S010827019300263X","","","0.71073","MoKα","","","0.084","","","0.039","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001351","7.764","0.003","18.692","0.008","13.775","0.006","90","","100.05","0.03","90","","1968.4","1.4","243","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H60 O14 S2 -","- C34 H57 O14 S2 -","- C68 H114 O28 S4 -","2","1","CD1024","Chênevert, R.; Gagnon, R.; Bélanger-Gariépy, F.","18-Crown-6‒bis(methyl 10-camphorsulfonate) (1/2)","Acta Crystallographica Section C","1993","49","10","1796","1799","10.1107/S0108270192012794","","","0.7093","MoKα","","","0.054","","","0.059","","","","","2.31","2.31","","","","","has coordinates,has disorder","206191","2020-10-21","18:00:00",""
"2001352","22.268","0.008","9.039","0.002","12.361","0.005","90","","100.27","0.03","90","","2448.2","1.4","294","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 P2 S4 -","- C24 H20 P2 S4 -","- C96 H80 P8 S16 -","4","0.5","CR1049","Gallacher, A. C.; Pinkerton, A. A.","Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P‒S π bonding","Acta Crystallographica Section C","1993","49","10","1793","1796","10.1107/S010827019300366X","","","0.71073","MoKα","","","0.034","","","0.043","","","","","1.265","1.265","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2001353","6.618","0.001","11.584","0.002","34.533","0.004","90","","90","","90","","2647.4","0.7","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 P2 S4 -","- C24 H20 O4 P2 S4 -","- C96 H80 O16 P8 S16 -","4","1","CR1049","Gallacher, A. C.; Pinkerton, A. A.","Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P‒S π bonding","Acta Crystallographica Section C","1993","49","10","1793","1796","10.1107/S010827019300366X","","","0.71073","Mo-Kα","","","0.034","","","0.043","","","","","1.274","1.274","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001354","9.755","0.004","10.8","0.004","17.797","0.007","90","","90","","90","","1875","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","HH1061","Flippen-Anderson, J. L.; Zajac, W. W.; Buzby, J. H.; Walters, T. R.","Structure of 1-benzoyl-4,4,5,5-tetramethyl-2-phenylimidazoline hydrate","Acta Crystallographica Section C","1993","49","10","1792","1793","10.1107/S0108270193002276","","","0.71073","MoKα","","0.0574","0.044","","0.1377","0.1148","","","","1.118","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001355","9.487","0.004","9.179","0.004","10.666","0.007","90","","90","","90","","928.8","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","Poldervaartite","- Ca2 H2 O5 Si -","- Ca2 O5 Si -","- Ca16 O40 Si8 -","8","2","OH0018","Yano, T.; Urabe, K.; Ikawa, H.; Teraushi, T.; Ishizawa, N.; Udagawa, S.","Structure of α-dicalcium silicate hydrate","Acta Crystallographica Section C","1993","49","9","1555","1559","10.1107/S0108270193004767","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2001356","7.127","0.004","7.127","0.004","7.127","0.004","90","","90","","90","","362","0.4","298","","","","","","","","","","","3","P 41 3 2","","","","","","- Ag3 Cu12 Y5 -","- Ag24 Cu144 Y40 -","- Ag24 Cu144 Y40 -","1","0.0416667","AL1043","Zeng, L.; Li, D.; Zhuang, Y.","Structure of Ag~3~Cu~12~Y~5~, a new ternary compound","Acta Crystallographica Section C","1993","49","9","1559","1561","10.1107/S0108270193003634","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001357","10.549","0.001","9.2465","0.0009","25.256","0.002","90","","101.42","0.01","90","","2414.7","0.4","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C16 H28 Cl2 Cu N6 O8 -","- C16 H28 Cl2 Cu N6 O8 -","- C64 H112 Cl8 Cu4 N24 O32 -","4","1","ST1040","Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.","Isostructural trigonal-bipyramidal Cu^II^ and nominally 1% Cu^II^-doped Zn^II^ complexes with N~5~ ligation","Acta Crystallographica Section C","1993","49","9","1561","1564","10.1107/S0108270193004275","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001358","4.872","0.002","11.526","0.004","15.811","0.004","90","","90","","90","","887.9","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","SE1015","Brett, W. A.; Rademacher, P.; Boese, R.","Redetermination of the structure of phenanthridine","Acta Crystallographica Section C","1993","49","9","1564","1566","10.1107/S0108270193005062","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001359","22.386","0.004","22.386","0.004","13.8834","0.0007","90","","90","","90","","6957.4","1.8","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- C10 H10 S2 -","- C10 H10 S2 -","- C320 H320 S64 -","32","","SE1016","Brett, W. A.; Rademacher, P.; Boese, R.","Structure of 1,3,6,8-tetrahydrodithieno[3,4-<i>a</i>:3',4'-<i>c</i>]benzene","Acta Crystallographica Section C","1993","49","9","1566","1568","10.1107/S0108270193005074","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001360","12.577","0.002","12.577","0.002","29.893","0.004","90","","90","","90","","4728.5","1.2","","","","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C200 H248 N24 O48 -","8","1","HH1000","Wang, B.; Takusagawa, F.; Mertes, M. P.; Bowman-James, K.","Structure of the product from a novel cyclization reaction involving a C(6)-substituted uridine analog","Acta Crystallographica Section C","1993","49","9","1568","1571","10.1107/S0108270193004123","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001361","19.79","0.01","15.609","0.009","42.17","0.04","90","","92.63","0.06","90","","13013","16","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Sodium tetrastrontium decatungstoeuropate 34.5-hydrate 'W10 Eu Sr4 Na O70.5 H69'","","","- Eu H69 Na O70.5 Sr4 W10 -","- Eu Na O70.5 Sr4 W10 -","- Eu8 Na8 O564 Sr32 W80 -","8","1","AS1050","Yamase, T.; Ozeki, T.; Ueda, K.","Structure of NaSr~4~[EuW~10~O~36~].34.5H~2~O","Acta Crystallographica Section C","1993","49","9","1572","1574","10.1107/S0108270193002082","","","0.71069","MoKα","","","0.067","","","0.0589","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001362","29.894","0.005","16.072","0.003","11.446","0.003","90","","96.32","0.02","90","","5466","2","298","","290","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tripotassium Tetrasodium Dihydrogen Decatungstosamarate 22 Hydrate","","","- H46 K3 Na4 O58 Sm W10 -","- K3 Na4 O58.0001 Sm W10 -","- K12 Na16 O232 Sm4 W40 -","4","1","AS1049","Ozeki, T.; Yamase, T.","Structure of K~3~Na~4~H~2~[SmW~10~O~36~].22H~2~O","Acta Crystallographica Section C","1993","49","9","1574","1577","10.1107/S0108270193002070","","","0.71069","MoKα","","","0.0528","","","0.0346","","","","","2.03","2.03","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2001363","29.92","0.005","16.103","0.005","11.449","0.003","90","","96.36","0.01","90","","5482","2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tripotassium Tetrasodium Digydrogen Decatungstogadolinate 21 Hydrate","","","- Gd H44 K3 Na4 O57 W10 -","- Gd K3 Na4 O57 W10 -","- Gd4 K12 Na16 O228 W40 -","4","1","AS1055","Yamase, T.; Ozeki, T.","Structure of K~3~Na~4~H~2~[GdW~10~O~36~].21H~2~O","Acta Crystallographica Section C","1993","49","9","1577","1580","10.1107/S0108270193003300","","","0.71069","MoKα","","","0.0585","","","0.0519","","","","","2.152","2.152","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001364","10.176","0.001","9.1471","0.0005","22.91","0.003","90","","105.14","0.07","90","","2058.5","0.8","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- La5 Mo32 O54 -","- La5 Mo32 O54 -","- La10 Mo64 O108 -","2","0.5","DU1032","Gall, P.; Toupet, L.; Gougeon, P.","Structure of La~5~Mo~32~O~54~ containing <i>trans</i> bicapped Mo~8~ octahedral clusters and tricluster Mo~7~‒Mo~10~‒Mo~7~ chain fragments","Acta Crystallographica Section C","1993","49","9","1580","1584","10.1107/S0108270193001532","","","0.71073","MoKα","","","0.028","","","0.04","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001365","3.885","0.004","3.885","0.004","6.947","0.004","90","","90","","90","","104.85","0.16","113","","113","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","uranium oxyselenide","","- O Se U -","- O Se U -","- O2 Se2 U2 -","2","0.125","ST1058","Mansuetto, M. F.; Jobic, S.; Ng, H. P.; Ibers, J. A.","Structure of UOSe","Acta Crystallographica Section C","1993","49","9","1584","1585","10.1107/S0108270193002380","","","0.7093","MoKα","","0.0226","0.0215","","0.0491","0.0481","","","","1.079","1.094","1.094","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001366","8.2785","0.0002","8.2785","0.0002","8.2785","0.0002","90","","90","","90","","567.36","0.02","298","","","","","","","","","","","4","I m -3 m","-I 4 2 3","","","","","- Ba4 Na O12 Sb3 -","- Ba4 Na O12 Sb3 -","- Ba8 Na2 O24 Sb6 -","2","0.0208333","ST1048","Reis, K. P.; Jacobson, A. J.","Structure of Ba~4~NaSb~3~O~12~ by neutron powder diffraction","Acta Crystallographica Section C","1993","49","9","1585","1588","10.1107/S0108270193002379","","neutron","","NeutronTOF","","","7.25","","","10.63","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001367","8.598","0.002","8.598","0.002","7.312","0.003","90","","90","","90","","540.5","0.3","296","","","","","","","","","","","3","I 4/m c m","-I 4 2c","","","","","- In K Te2 -","- In K Te2 -","- In4 K4 Te8 -","4","0.125","ST1049","Hung, Y.-C.; Hwu, S.-J.","The KInTe~2~ structure revisited","Acta Crystallographica Section C","1993","49","9","1588","1589","10.1107/S0108270193003038","","","0.71069","MoKα","","","0.021","","","0.032","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001368","9.134","0.004","16.801","0.006","17.335","0.008","90","","99.15","0.03","90","","2626.4","1.9","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C12 H13 Cl2 Cu N2 O0.5 -","- C12 H13 Cl2 Cu N2 O0.5 -","- C96 H104 Cl16 Cu8 N16 O4 -","8","1","CD1026","González Q., O.; Atria, A. M.; Spodine, E.; Manzur, J.; Garland, M. T.","Structure of dimeric dichloro(4,4'-dimethyl-2,2'-bipyridine)copper(II) hemihydrate","Acta Crystallographica Section C","1993","49","9","1589","1591","10.1107/S0108270193001969","","","0.71073","MoKα","","","0.039","","","0.052","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001369","12.928","0.002","14.814","0.002","15.028","0.003","90","","90","","90","","2878.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 P S6 W -","- C26 H24 P S6 W -","- C104 H96 P4 S24 W4 -","4","1","AL1035","Burrow, T. E.; Morris, R. H.; Hills, A.; Hughes, D. L.; Richards, R. L.","Structure of dimethyl(phenyl)phosphonium tris(1,2-benzenedithiolato)tungsten(V)","Acta Crystallographica Section C","1993","49","9","1591","1594","10.1107/S0108270193001295","","","0.71069","MoKα","","","0.078","","","0.064","","","","","","","","","","","has coordinates","203417","2020-10-21","18:00:00",""
"2001370","14.7507","0.0006","14.7507","0.0006","19.373","0.001","90","","90","","120","","3650.5","0.3","298","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","SH1023","Jarraya, S.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.","Structure of [(C~2~H~5~)~2~NH~2~]~3~BiCl~6~","Acta Crystallographica Section C","1993","49","9","1594","1596","10.1107/S0108270193001283","","","0.70926","MoKα~1~","","","0.0177","","","0.0159","","","","","2.27","2.27","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"2001371","16.32","0.001","9.153","0.001","8.649","0.001","90","","95.21","0.01","90","","1286.6","0.2","293","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","","","","","- C6 H16 Cl2 Hg N4 -","- C6 H16 Cl2 Hg N4 -","- C24 H64 Cl8 Hg4 N16 -","4","0.5","SH1015","Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.","Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~]","Acta Crystallographica Section C","1993","49","9","1596","1598","10.1107/S0108270193002124","","","0.70926","MoKα~1~","","","0.039","","","0.0392","","","","","2.54","2.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001372","15.61","0.004","14.809","0.005","25.918","0.009","90","","92.34","0.02","90","","5986","3","130","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C60 H56 Cl2 N14 O10 Pt2 -","- C60 H56 Cl2 N14 O10 Pt2 -","- C240 H224 Cl8 N56 O40 Pt8 -","4","1","HH1046","Bailey, J. A.; Catalano, V. J.; Gray, H. B.","A monodentate 1,3-diphenyl-2-triazeno terpyridineplatinum(II) complex","Acta Crystallographica Section C","1993","49","9","1598","1602","10.1107/S0108270193002215","","","0.71073","MoKα","","","0.056","","","0.058","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001373","12.639","0.004","16.931","0.006","9.458","0.003","90","","90","","90","","2023.9","1.2","295","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chloro[(dimethylphenylphosphine)]gold(I)","","- C8 H11 Au Cl P -","- C8 H11 Au Cl P -","- C64 H88 Au8 Cl8 P8 -","8","2","AS1052","Cookson, P. D.; Tiekink, E. R. T.","Chloro(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1993","49","9","1602","1603","10.1107/S0108270193002707","","","0.71073","MoKα","","","0.035","","","0.039","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001374","8.9982","0.0006","9.1024","0.0007","16.774","0.0007","88.285","0.005","74.676","0.005","63.459","0.006","1179.19","0.15","296","","","","","","","","","","","6","P 1","P 1","1","","","","- C21 H27 Cl O4 P2 Pd -","- C21 H26.5 Cl O4 P2 Pd -","- C42 H53 Cl2 O8 P4 Pd2 -","2","2","HA1039","Manojlović-Muir, L.; Cross, R. J.; Hoyle, R. W.","Structure of (η^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II) perchlorate","Acta Crystallographica Section C","1993","49","9","1603","1606","10.1107/S0108270193002604","","","0.71069","MoKα","","","0.0238","","","0.0312","","","","","1.63","1.63","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2001375","18.98","0.03","13.24","0.02","30.18","0.05","90","","90","","90","","7584","2","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C26 H56 Cl6 O5 Ti2 -","- C26 H56 Cl6 O5 Ti2 -","- C208 H448 Cl48 O40 Ti16 -","8","1","AB1051","Iiskola, E.; Pelkonen, A.; Kakkonen, H. J.; Ahlgrén, M.; Pakkanen, T. A.; Pursiainen, J.","Structure of μ-oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-<i>O</i>,<i>O</i>')titanium(IV)]","Acta Crystallographica Section C","1993","49","9","1607","1609","10.1107/S0108270193002148","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001376","9.888","0.004","13.827","0.003","13.307","0.006","90","","107.31","0.04","90","","1737","1.2","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 Cl2 N2 Nb -","- C15 H25 Cl2 N2 Nb -","- C60 H100 Cl8 N8 Nb4 -","4","1","PA1029","Hubert-Pfalzgraf, L. G.; Zaki, A.; Toupet, L.","Niobium 1,4-diazabutadiene derivatives. Structure of (η^5^-Cp)NbCl~2~(^<i>t^</i>BuNCHCHN^<i>t^</i>Bu)","Acta Crystallographica Section C","1993","49","9","1609","1611","10.1107/S0108270193004494","","","0.71073","MoKα","","","0.03","","","0.028","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001377","7.139","0.001","7.907","0.001","20.199","0.002","90","","93.09","0.01","90","","1138.5","0.2","173","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 Fe2 N2 O8 -","- C16 H24 Cl4 Fe2 N2 O8 -","- C32 H48 Cl8 Fe4 N4 O16 -","2","0.5","VS1005","Sabirov, V. Kh.; Porai-Koshitz, M. A.; Struchkov, Yu. T.","Structure of the dimeric complex of iron(III) chloride with pyridoxine","Acta Crystallographica Section C","1993","49","9","1611","1614","10.1107/S0108270193000691","","","0.71069","MoKα","","","0.0235","","","0.0257","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001378","9.222","0.008","22.62","0.01","18.138","0.006","90","","91.74","0.05","90","","3782","4","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 F6 Fe Ir P3 -","- C42 H40 F6 Fe Ir P3 -","- C168 H160 F24 Fe4 Ir4 P12 -","4","1","LI1043","Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.","Structure of an iridium complex of 1,1'-bisdiphenylphosphinoferrocene","Acta Crystallographica Section C","1993","49","9","1614","1616","10.1107/S0108270193002288","","","0.71073","MoKα","","","0.055","","","0.072","","","","","2","2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001379","11.3947","0.0009","12.653","0.001","16.872","0.001","90.639","0.007","107.891","0.006","114.817","0.007","2073.3","0.3","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl2 Co Fe P2 Si2 -","- C40 H44 Cl2 Co Fe P2 Si2 -","- C80 H88 Cl4 Co2 Fe2 P4 Si4 -","2","1","HU1021","Ahmet, M. T.; Brown, R. A.; Roberts, R. M. G.; Miller, J. R.; Silver, J.; Houlton, A.","Ferrocenyl ligands. Part 4. Structure of [1,1'-bis(diphenylphosphino)-3,3'-bis(trimethylsilyl)ferrocene]dichlorocobalt","Acta Crystallographica Section C","1993","49","9","1616","1619","10.1107/S0108270193001581","","","0.71069","MoKα","","","0.041","","","0.046","","","","","0.332","0.332","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001380","7.628","0.002","19.526","0.004","13.12","0.003","90","","97.45","0.02","90","","1937.7","0.8","197","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(μ^3^-butenato)-bis(μ^2^-butenato)-octacarbonylbis( trimethylammine)tetraruthenium","","- C30 H38 N2 O16 Ru4 -","- C36 H56 N2 O16 Ru4 -","- C72 H112 N4 O32 Ru8 -","2","0.5","ST1057","Reibenspies, J. H.; Fontal, B.; Darensbourg, D. J.","Structure of Ru~4~(CO)~8~(O~2~CCH~2~CH=CH~2~)~4~(NMe~3~)~2~","Acta Crystallographica Section C","1993","49","9","1619","1621","10.1107/S0108270193002483","","","0.71073","MoKα","","0.0779","0.0634","","0.0784","0.0622","","","","","2.5814","2.5814","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001381","20.088","0.009","13.895","0.004","17.751","0.012","90","","105.07","0.04","90","","4784","4","296","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C34 H62 Cu2 N4 S10 V2 -","- C42 H22 Cu2 N4 S10 V2 -","- C168 H88 Cu8 N16 S40 V8 -","4","0.5","AB1048","Yang, Y.; Liu, Q.","Structure of a V~2~Cu~2~S~4~ cubane-like cluster (Et~4~N)~2~[V~2~Cu~2~S~4~(S~2~CNMe~2~)~2~(SPh)~2~]","Acta Crystallographica Section C","1993","49","9","1623","1625","10.1107/S0108270193002173","","","0.71069","MoKα","","","0.067","","","0.074","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001382","7.851","0.002","15.851","0.003","26.854","0.003","90","","90","","90","","3341.9","1.1","293","","","","","","","","","","","6","P b c m","-P 2c 2b","","","μ-oxamidato-bis-[1,4,7-trimethyl-1,4,7-triazacyclononane copper(II)] (triiodide)(iodide)","","- C20 H44 Cu2 I4 N8 O2 -","- C20 H42 Cu2 I4 N6 O4 -","- C80 H168 Cu8 I16 N24 O16 -","4","0.5","SH1044","Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P.","Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide","Acta Crystallographica Section C","1993","49","9","1625","1627","10.1107/S0108270193002562","","","0.71073","MoKα","","","0.06","","","0.045","","","","","1.622","1.622","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001383","11.325","0.002","12.964","0.003","10.038","0.002","104.81","0.02","96.64","0.01","87.23","0.02","1415","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","2-(2,2-Bisdiphenylphosphino)ethylthio)phenylamine","","- C32 H29 N P2 S -","- C32 H29 N P2 S -","- C64 H58 N2 P4 S2 -","2","1","SE1019","Flörke, U.; Haupt, H.-J.","2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex","Acta Crystallographica Section C","1993","49","9","1627","1629","10.1107/S0108270193003233","","","0.71073","MoKα","","","0.052","","","0.049","","","","","2.019","2.019","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001384","18.299","0.004","10.832","0.003","18.452","0.003","90","0.01","117.02","0.01","90","0.01","3258.2","1.3","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[2,2-Bis(diphenylphosphino)ethylthio]phenylamine-P,P} dichloropalladium(II) Dichloromethane Solvate","","- C33 H30 Cl3 N P2 Pd S -","- C33 H31 Cl3 N P2 Pd S -","- C132 H124 Cl12 N4 P8 Pd4 S4 -","4","1","SE1019","Flörke, U.; Haupt, H.-J.","2-[2,2-Bis(diphenylphosphanyl)ethylsulfanyl]phenylamine (NSPP), a new hetero-bifunctional ligand and its PdCl~2~ complex","Acta Crystallographica Section C","1993","49","9","1627","1629","10.1107/S0108270193003233","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.838","1.838","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001385","7.659","0.002","11.158","0.002","6.559","0.002","96.58","0.02","98.18","0.03","87.8","0.02","551","0.2","293","","","","","","","","","","","5","P -1","-P 1","2","(Methyl viologen) bis(cis-1,2-dicyanoethene-1,2-dithiolato)palladate(II)","(N,N'-dimethyl-4,4'-bipyridinium)bis(cis-1,2-dicyan0ethene-1,2-di thiolato)palladate(II)","","- C20 H14 N6 Pd S4 -","- C20 H14 N6 Pd S4 -","- C20 H14 N6 Pd S4 -","1","0.5","SH1047","Lemke, M.; Knoch, F.; Kisch, H.","Structure of the ion-pair charge-transfer complex (methylviologen)^2+^[Pd(mnt)~2~]^2{‒^}","Acta Crystallographica Section C","1993","49","9","1630","1632","10.1107/S0108270193003129","","","0.71073","MoKα","","","0.0253","","","0.0294","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001386","12.519","0.002","14.286","0.001","14.607","0.002","90","","90","","90","","2612.4","0.6","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N3 O5 -","- C31 H35 N3 O5 -","- C124 H140 N12 O20 -","4","1","AB1047","Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.","The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine ‒ a crystallographic and molecular-mechanics study","Acta Crystallographica Section C","1993","49","9","1632","1636","10.1107/S0108270193001180","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.189","1.189","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001387","12.378","0.002","14.088","0.002","14.582","0.003","90","","90","","90","","2542.8","0.8","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N3 O6 -","- C30 H33 N3 O6 -","- C120 H132 N12 O24 -","4","1","AB1047","Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.","The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine ‒ a crystallographic and molecular-mechanics study","Acta Crystallographica Section C","1993","49","9","1632","1636","10.1107/S0108270193001180","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.195","1.195","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001388","10.359","0.005","10.861","0.005","9.947","0.004","91.89","0.03","99.97","0.04","89.65","0.04","1101.6","0.9","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","2","HA1036","Soriano-García, M.; Cortés C., E.; Cortés R., E.; Avila Z., J. G.; Domínguez T., A.","Structure of 2,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-furo[3,2-<i>c</i>]azepine-4-thione","Acta Crystallographica Section C","1993","49","9","1637","1638","10.1107/S010827019300188X","","","1.5418","CuKα","","","0.065","","","0.088","","","","","1.06","1.06","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001389","22.566","0.005","7.3","0.001","13.532","0.004","90","","110.21","0.02","90","","2091.9","0.9","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","0.5","HH1026","Ammon, H. L.; Reid, T. L.","Structure of a 2-arylquinoline dimer, a compound with a new ring system","Acta Crystallographica Section C","1993","49","9","1638","1640","10.1107/S0108270193001374","","","1.5418","CuKα","","","0.044","","","0.061","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001390","13.484","0.003","22.325","0.003","6.987","0.001","90","","90","","90","","2103.3","0.6","293","","","","","","","","","","","4","P 21 21 2","P 2 2ab","","","","","- C10 H8 N2 O6 -","- C10 H8 N2 O6 -","- C80 H64 N16 O48 -","8","2","CR1046","Ammon, H. L.; Bashir-Hashemi, A.","Structure of 2-methoxycarbonyl-1,4-dinitrocubane","Acta Crystallographica Section C","1993","49","9","1641","1643","10.1107/S0108270193001489","","","1.5418","CuKα","","","0.05","","","0.066","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001391","16.45","0.002","9.781","0.002","17.818","0.002","90","","110.78","0.01","90","","2680.4","0.7","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C24 H27 N4 O7 P3 -","- C26 H39 N4 O7 P3 -","- C104 H156 N16 O28 P12 -","4","1","SH1027","Engelhardt, U.; Stromburg, B.","Phosphor(V)-Hydrazin-Sauerstoff-Achtring mit Boot-Sessel-Konformation","Acta Crystallographica Section C","1993","49","9","1643","1646","10.1107/S0108270193001271","","","0.71069","MoKα","","","0.044","","","0.023","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001392","15.158","0.004","8.435","0.002","7.277","0.001","90","","103.52","0.01","90","","904.6","0.3","138","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","1.54178","CuKα","","","0.036","","","0.047","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001393","11.865","0.003","12.174","0.004","7.127","0.002","90","","90","","90","","1029.5","0.5","138","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C9 H14 Cl N O3 -","- C9 H14 Cl N O3 -","- C36 H56 Cl4 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","0.71073","MoKα","","","0.033","","","0.039","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001394","6.6361","0.0004","17.115","0.001","9.1024","0.0005","90","","98.473","0.005","90","","1022.54","0.1","138","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C32 H56 Cl4 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","1.54178","CuKα","","","0.035","","","0.047","","","","","1.77","1.77","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001395","11.268","0.002","11.996","0.001","12.297","0.001","90","","102.204","0.009","90","","1624.6","0.3","296","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N5 O12 -","- C28 N5 O12 -","- C56 N10 O24 -","2","1","HU1028","Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.","Structure of a 6-tetrahydroxybutyl-substituted 5,6,7,8-tetrahydropteridine","Acta Crystallographica Section C","1993","49","9","1649","1652","10.1107/S0108270193001593","","","1.54178","CuKα","","","0.058","","","0.071","","","","","2.48","2.48","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001396","15.531","0.004","18.136","0.006","16.895","0.004","90","","114.67","0.02","90","","4324","2","150","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C17 H36 F3 N O3 S -","- C17.5 H38.5 F3 N O3 S -","- C140 H308 F24 N8 O24 S8 -","8","2","HA1038","Blake, A. J.; Radek, C.; Schröder, M.","Tetra(<i>n</i>-butyl)ammonium trifluoromethanesulfonate","Acta Crystallographica Section C","1993","49","9","1652","1654","10.1107/S0108270193001544","","","0.71073","MoKα","","","0.0557","","","0.0661","","","","","1.342","1.342","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001397","12.42","0.002","11.18","0.001","11.979","0.001","90","","110.91","0.01","90","","1553.8","0.3","153","1","153","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)-1-beta-tert.-Butoxy-3a-alpha,4-beta,5,6,7,7a-hexahydro-7a-beta- methyl-5-oxo-4-alpha-indane carboxylic acid methylester","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","1","SE1022","Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M.; van Hommelen, S.; Groth, U.","Structure of (±)-1β-<i>tert</i>-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester at 153 K","Acta Crystallographica Section C","1993","49","9","1654","1655","10.1107/S0108270193001684","","","0.71073","MoKα","","0.0658","0.0434","","0.1131","0.0975","","","","1.024","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001398","12.337","0.004","12.888","0.006","9.677","0.007","90","","90","","90","","1538.6","1.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-Propylammonium Perchlorate","","- C3 H11 Cl N2 O4 -","- C3 H12 Cl N2 O4 -","- C24 H96 Cl8 N16 O32 -","8","1","LI1052","Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.","3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system","Acta Crystallographica Section C","1993","49","9","1656","1657","10.1107/S010827019300277X","","","0.71069","MoKα","","","0.039","","","0.0523","","","","","2.077","2.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001399","12.664","0.001","9.424","0.001","12.883","0.001","90","","107.53","0.01","90","","1466.1","0.2","291","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","1","LI1046","Iulek, J.; Zukerman-Schpector, J.; Brocksom, T. J.; Silva, Jnr, F.","Structures of the Diels–Alder reaction products of thymoquinone and 1-vinylcyclohexene. I. 2-Isopropyl-5-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione","Acta Crystallographica Section C","1993","49","9","1657","1659","10.1107/S010827019300229X","","","0.71073","MoKα","","","0.055","","","0.059","","","","","1.16","1.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001400","6.465","0.003","20.72","0.007","13.717","0.004","90","","95.61","0.02","90","","1828.7","1.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3H-[1,3]- -dioxepino[5,6-c]pyridinium-9-ol maleate","","- C18 H21 N O9 -","- C18 H21 N O9 -","- C72 H84 N4 O36 -","4","1","KA1031","Vinković, M.; Dumić, M.; Kamenar, B.","1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3<i>H</i>-[1,3]dioxepino[5,6-<i>c</i>]pyridinium-9-ol maleate","Acta Crystallographica Section C","1993","49","9","1659","1661","10.1107/S0108270193002422","","","0.71069","MoKα","","","0.057","","","0.061","","","","","2.139","2.139","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001401","9.074","0.005","5.452","0.004","17.31","0.009","90","","91.17","0.04","90","","856.2","0.9","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methanesulfonyl-1a,2,6,6a-tetrahydro-1H,4H-[1,3]-dioxepino[5,6-b]azirine","","- C6 H11 N O4 S -","- C6 H11 N O4 S -","- C24 H44 N4 O16 S4 -","4","1","KA1030","Vinković, M.; Dumić, M.; Kamenar, B.","1-Methanesulfonyl-1a,2,6,6a-tetrahydro-1<i>H</i>,4<i>H</i>-[1,3]dioxepino[5,6-<i>b</i>]azirine","Acta Crystallographica Section C","1993","49","9","1661","1663","10.1107/S0108270193002185","","","0.71069","MoKα","","","0.042","","","0.062","","","","","0.5189","0.5189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001402","8.242","0.004","13.423","0.008","9.935","0.007","90","","107.99","0.05","90","","1045.4","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","2R,S~s~-1-(1-Benzyloxycarbonyl-2-methylprop-1-enyl)-2-benzylaminosulfinyl-4- -oxoazetidine","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C44 H48 N4 O8 S2 -","2","1","KA1032","Vinković, M.; Herak, J. J.; Kamenar, B.","Benzyl 2-[(2<i>R</i>,S<i>S</i>)-2-(benzylaminosulfinyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoate","Acta Crystallographica Section C","1993","49","9","1663","1665","10.1107/S0108270193002616","","","0.71069","MoKα","","","0.034","","","0.057","","","","","0.9569","0.9569","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001403","7.736","0.008","12.591","0.004","20.196","0.007","90","","95.08","0.06","90","","1959","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N O6 -","- C20 H24 Cl N O6 -","- C80 H96 Cl4 N4 O24 -","4","1","CD1033","Ghosh, R.; Mukherjee, K.; Roychowdhury, P.; Klayman, D. L.","Structure of an antimalarial alkaloid, jatrorrhizine","Acta Crystallographica Section C","1993","49","9","1665","1667","10.1107/S0108270193002458","","","0.7135","MoKα","","","0.057","","","0.065","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001404","15.776","0.013","8.646","0.003","14.087","0.005","90","","96.05","0.05","90","","1910.8","1.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C44 H26 Cl4 N4 -","- C44 H26 Cl4 N4 -","- C88 H52 Cl8 N8 -","2","0.5","AB1038","Hökelek, T.; Ülkü, D.; Gündüz, N.; Hayvali, M.; Kiliç, Z.","5,10,15,20-Tetrakis(<i>p</i>-chlorophenyl)porphyrin","Acta Crystallographica Section C","1993","49","9","1667","1670","10.1107/S0108270193000782","","","1.5418","CuKα","","","0.07","","","0.088","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001405","17.231","0.009","9.955","0.006","7.611","0.003","90","","113.7","0.5","90","","1195","5","293","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H14 N6 S -","- C9 H14 N6 S -","- C36 H56 N24 S4 -","4","1","DU1035","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","Structure of 5-[1-(diaminomethylenehydrazono)ethyl]-4-methyl-2-methylthiopyrimidine","Acta Crystallographica Section C","1993","49","9","1670","1673","10.1107/S0108270193002367","","","1.5418","CuKα","","","0.0384","","","0.0364","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001406","5.052","0.004","11.95","0.009","18.985","0.007","90","","94.88","0.05","90","","1142","1.3","172","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O9 -","- C21 H30 N6 O9 -","- C42 H60 N12 O18 -","2","1","GR1004","Görbitz, C. H.; Etter, M. C.","Structure of a 1:1 complex between <small>L</small>-Asp-<small>L</small>-Phe and <small>L</small>-His-Gly","Acta Crystallographica Section C","1993","49","9","1673","1676","10.1107/S010827019300246X","","","0.71069","MoKα","","","0.046","","","0.051","","","","","1.14","1.14","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001407","9.036","0.001","10.094","0.001","7.8868","0.0009","94.11","0.01","98.84","0.01","116.556","0.008","627.74","0.13","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 N3 O5 P -","- C9 H16 N3 O5 P -","- C18 H32 N6 O10 P2 -","2","1","OH1009","Okabe, N.; Fukuda, H.; Nakamura, T.","Structure of iproniazid phosphate","Acta Crystallographica Section C","1993","49","9","1677","1678","10.1107/S010827019300304X","","","0.71069","MoKα","","","0.039","","","0.046","","","","","1.55","1.55","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001408","4.819","0.003","11.625","0.004","14.268","0.004","90","","97.04","0.04","90","","793.3","0.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N8 O8 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","AS1037","Okabe, N.; Nakamura, T.; Fukuda, H.","Structure of 2,4-dinitrophenylhydrazine","Acta Crystallographica Section C","1993","49","9","1678","1680","10.1107/S0108270193002550","","","0.71069","MoKα","","","0.04","","","0.043","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001409","15.87","0.001","8.061","0.001","14.879","0.001","90","","112.46","0.01","90","","1759.1","0.3","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(1R^*^,6aS^*^,14aS^*^,14bR^*^,13E)-6a,14c-Epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","AS1054","Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.","Cyclobutane structures fused to a 13-membered ring","Acta Crystallographica Section C","1993","49","9","1680","1683","10.1107/S0108270193002677","","","1.5405","CuKα~1~","","","0.0485","","","0.0478","","","","","1.493","1.493","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001410","28.875","0.004","6.82","0.002","19.572","0.002","90","","108.56","0.01","90","","3653.8","1.3","297","","","","","","","","","","","3","A 1 2/a 1","","","","(1R^*^,6aR^*^,14aR^*^,14bS^*^,13E)-6a,14c-epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","1","AS1054","Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.","Cyclobutane structures fused to a 13-membered ring","Acta Crystallographica Section C","1993","49","9","1680","1683","10.1107/S0108270193002677","","","1.5405","CuKα~1~","","","0.0683","","","0.061","","","","","1.995","1.995","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001411","6.4939","0.0003","11.8032","0.0003","35.0205","0.0015","90","","90","","90","","2684.28","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 17β-benzoyloxy-14β-hydroxy-3β-methylethynyl-1,7-dioxo- 5β-androstan-19-oate","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","CD1040","Michel, A. G.; Drouin, M.","Non-natural 14-hydroxy steroids. III. (±)-Methyl 17β-benzoyloxy-14β-hydroxy-3β-isopropenyl-1,7-dioxo-5β-androstan-19-oate","Acta Crystallographica Section C","1993","49","9","1683","1685","10.1107/S0108270193002744","","","0.7093","MoKα","","0.103","0.072","","0.066","0.064","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001412","9.0995","0.0006","13.0675","0.0007","16.3219","0.0007","90","","90","","90","","1940.8","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Epiryanodol","3-Epiryanodol","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","1","CD1044","Michel, A. G.; Drouin, M.","Structure of 3-epiryanodol: a heptahydro diterpene","Acta Crystallographica Section C","1993","49","9","1685","1688","10.1107/S0108270193002987","","","0.7093","MoKα","","0.046","0.034","","0.03","0.029","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001413","29.817","0.012","17.001","0.007","7.279","0.005","90","","90","","90","","3690","3","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","KA1026","Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh.","Structure of (±)-tetrahydropalmatine","Acta Crystallographica Section C","1993","49","9","1691","1693","10.1107/S0108270193002410","","","1.54178","CuKα","","","0.061","","","0.07","","","","","3.85","3.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001414","14.619","0.005","14.587","0.008","12.024","0.004","90","","108.66","0.03","90","","2429.3","1.8","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-(5-amino-4-cyano-1-imidazolylamino)but-2-enoate","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C80 H104 N40 O16 -","8","1","AL1047","Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P.","Ethyl 3-(5-amino-4-cyano-1-imidazolyl-amino)-2-butenoate: an example of a combined inter- and intramolecular bifurcated hydrogen bond","Acta Crystallographica Section C","1993","49","9","1695","1696","10.1107/S0108270193002938","","","0.71069","MoKα","","","0.0376","","","0.041","","","","","1.448","1.448","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001415","10.368","0.002","15.595","0.003","7.47","0.002","101.65","0.01","97.74","0.02","78.94","0.02","1155.2","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","1,3,5-Triacetyltriphenylbenzene","","- C30 H24 O3 -","- C30 H24 O3 -","- C60 H48 O6 -","2","1","AL1046","Booth, B. L.; Pritchard, R. G.; Taylor-Gomes, J.","1,3,5-Triacetyl-2,4,6-triphenylbenzene: a sterically hindered molecule","Acta Crystallographica Section C","1993","49","9","1696","1698","10.1107/S0108270193002902","","","0.71069","MoKα","","","0.0473","","","0.0495","","","","","1.688","1.688","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001416","14.24","0.01","9.767","0.007","16.59","0.01","90","","113.74","0.06","90","","2112","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl}- 6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","- C23 H27 F N4 O2 -","- C23 H27 F N4 O2 -","- C92 H108 F4 N16 O8 -","4","1","NA1034","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure of 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl}-6,7,8,9-tetrahydro-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (risperidone)","Acta Crystallographica Section C","1993","49","9","1698","1700","10.1107/S0108270193002240","","","0.71069","MoKα","","0.105","0.0475","","0.0702","0.0635","","","","","1.53","1.53","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001417","13.216","0.002","7.98","0.002","10.97","0.002","90","","102.39","0.01","90","","1130","0.4","288","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N3 O10 -","- C21 H25 N3 O10 -","- C42 H50 N6 O20 -","2","1","OH1015","Ogawa, T.; Matsumoto, K.; Hatayama, K.; Kitamura, K.","Structure of a 4-phenyl-1,4-dihydropyridine derivative containing a nitrooxyalkyl ester at the 3-position","Acta Crystallographica Section C","1993","49","9","1700","1702","10.1107/S0108270193002690","","","1.54178","CuKα","","","0.035","","","0.045","","","","","4.7","4.7","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001418","5.549","0.0001","10.4774","0.0002","3.8796","0.0001","90","","90","","90","","225.556","0.008","","","","","","","","","","","","3","P b a m","-P 2 2ab","","","","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","BR1018","La Placa, S. J.; Bringley, J. F.; Scott, B. A.; Cox, D. E.","Structure of La~2~Cu~2~O~5~ by high-resolution synchrotron X-ray powder diffraction","Acta Crystallographica Section C","1993","49","8","1415","1417","10.1107/S0108270193001891","","","1.2","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001419","12.58","0.002","26.262","0.005","11.34","0.004","90","","108.11","0.02","90","","3560.9","1.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C48 H68 Cl2 N8 O38 V10 -","- C48 H8 Cl2 N8 O38 V10 -","- C96 H16 Cl4 N16 O76 V20 -","2","0.5","AB1007","Arrieta, J. M.; Arnaiz, A. R.; Santiago, C.; Lorente, L.; Zúñiga, F. J.; Madariaga, G.; Germain, G.; Vlassi, M.","Structure of hexakis(3-methylpyridinium) decavanadate bis(3-methylpyridinium perchlorate) dihydrate","Acta Crystallographica Section C","1993","49","8","1417","1421","10.1107/S0108270193001362","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001420","14.6703","0.0008","9.4136","0.0005","13.4665","0.0008","90","","90","","90","","1859.73","0.18","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C12 H16 Cu I2 N8 -","- C12 H16 Cu I2 N8 -","- C48 H64 Cu4 I8 N32 -","4","1","HH1017","Ballester, J.; Parker, O. J.; Breneman, G. L.","Structure of tetrakis(imidazole)copper(II) diiodide","Acta Crystallographica Section C","1993","49","8","1421","1424","10.1107/S0108270193004329","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001421","22.168","0.005","13.266","0.002","24.33","0.006","90","","105.17","0.02","90","","6906","3","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","","","","","- C64 H66 Ce Cl2 Co N6 O17 P2 -","- C64 H66 Ce Cl2 Co N6 O17 P2 -","- C256 H264 Ce4 Cl8 Co4 N24 O68 P8 -","4","1","AB1036","Collins, T. J.; Workman, J. M.","Structure of tetraphenylphosphonium μ-{[η^4^-2,4-bis(2-hydroxy-2-methylpropanamido)-2,4-dimethyl-3-oxopentane]cobalt(III)}tetranitratocerium(III) dichloromethane","Acta Crystallographica Section C","1993","49","8","1426","1428","10.1107/S0108270193002161","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","194476","2020-10-21","18:00:00",""
"2001422","31.535","0.008","14.313","0.005","9.4461","0.0003","90","","90","","90","","4263.6","1.8","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C7 H9 N3 O7 -","- C7 H9 N3 O7 -","- C112 H144 N48 O112 -","16","1","HL1001","Boyd, M.; Atwell, G. J.; Denny, W. A.","Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate","Acta Crystallographica Section C","1993","49","8","1429","1430","10.1107/S0108270193003488","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001423","9.0405","0.0016","9.1893","0.0015","10.6043","0.0019","93.285","0.014","106.558","0.013","101.73","0.013","820.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O6 Si -","- C18 H12 O6 Si -","- C36 H24 O12 Si2 -","2","1","CR1023","Ziller, J. W.; Schaber, P. M.; Dinan, F. J.","Structure of 5,5'-dimethylsilanediyldi(phthalic anhydride): a model system for aromatic polyimides","Acta Crystallographica Section C","1993","49","8","1430","1432","10.1107/S010827019300472X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001424","9.755","0.005","12.849","0.009","10.42","0.008","90","","104.16","0.04","90","","1266.4","1.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","MU1043","He, Y.; Shi, J.; Su, G.","Structure of ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)propenoate","Acta Crystallographica Section C","1993","49","8","1432","1434","10.1107/S0108270193003580","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001425","25.05","0.03","6.203","0.002","15.89","0.02","90","","109.6","0.1","90","","2326","4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C112 H80 N8 O8 S8 -","4","1","MU1033","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Gok, Y.","Structure of <i>o</i>,<i>o</i>'-bis(1-oxo-2,3-dihydro-1<i>H</i>-2-benzopyrrol-2-yl)diphenyl disulfide","Acta Crystallographica Section C","1993","49","8","1434","1436","10.1107/S0108270193003385","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001426","7.8723","0.0005","7.8723","0.0005","5.499","0.001","90","","90","","120","","295.13","0.06","296","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Br H6 Li O7 -","- Br H6 Li O7 -","- Br2 H12 Li2 O14 -","2","0.166667","CR1039","Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J.","Structure of lithium perbromate trihydrate","Acta Crystallographica Section C","1993","49","8","1437","1439","10.1107/S0108270193000538","","","0.71073","MoKα","","","0.037","","","0.057","","","","","2.55","2.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001427","5.6218","0.0009","8.0058","0.0007","11.9924","0.0016","80.643","0.009","89.16","0.012","89.75","0.01","532.5","0.12","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- Br2 Ca H8 O12 -","- Br2 Ca H8 O12 -","- Br4 Ca2 H16 O24 -","2","1","CR1042","Blackburn, A. C.; Gerkin, R. E.","Structure of tetraaquacalcium perbromate","Acta Crystallographica Section C","1993","49","8","1439","1442","10.1107/S0108270193001714","","","0.71073","MoKα","","","0.021","","","0.027","","","","","1.18","1.18","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001428","13.173","0.006","10.101","0.007","8.734","0.004","90","","90","","90","","1162.2","1.1","130","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb3 Sr5 -","- Sb3 Sr5 -","- Sb12 Sr20 -","4","0.5","ST1034","Rehr, A.; Kauzlarich, S. M.","A new modification of Sr~5~Sb~3~","Acta Crystallographica Section C","1993","49","8","1442","1444","10.1107/S0108270192013362","","","0.71073","MoKα","","","0.0373","","","0.032","","","","","1.17","1.17","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001429","8.164","0.001","4.468","0.001","8.977","0.001","90","","124.16","0.01","90","","270.96","0.08","295","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 Te -","- Ag2 Te -","- Ag8 Te4 -","4","1","HA1058","van der Lee, A.; de Boer, J. L.","Redetermination of the structure of hessite, Ag~2~Te-III","Acta Crystallographica Section C","1993","49","8","1444","1446","10.1107/S0108270193003294","","","0.71073","Mo","","","0.057","","","0.042","","","","","6.979","6.979","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001430","22.334","0.002","22.334","0.002","22.334","0.002","90","","90","","90","","11140.4","1.7","299","","","","","","","","","","","5","F m -3 m","-F 4 2 3","","","","","- H38 Mo12 Na3 O59 V -","- Mo12 Na3 O59 V -","- Mo96 Na24 O472 V8 -","8","0.0416667","HA1022","Zhang, S. W.; Huang, G. Q.; Wei, Y. G.; Shao, M. C.; Tang, Y. Q.","Structure of Na~3~[VMo~12~O~40~].19H~2~O","Acta Crystallographica Section C","1993","49","8","1446","1448","10.1107/S0108270193003257","","","0.71073","MoKα","","","0.0547","","","0.0556","","","","","26.65","26.65","","","","","has coordinates","282085","2023-03-28","12:49:24",""
"2001431","10.337","0.006","10.337","0.006","10.337","0.006","90","","90","","90","","1104.5","1.1","293","","","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","","","","","- Cr2 Cu Se4 -","- Cr2 Cu Se4 -","- Cr16 Cu8 Se32 -","8","","SH1039","Okońska-Kozlowska, I.; Kopyczok, J.; Lutz, H. D.; Stingl, T.","Single-crystal structure refinement of spinel-type CuCr~2~Se~4~","Acta Crystallographica Section C","1993","49","8","1448","1449","10.1107/S0108270193001945","","","0.7093","MoKα","","","0.027","","","0.033","","","","","0.91","0.91","","","","","has coordinates","282538","2023-04-10","16:55:39",""
"2001432","10.897","0.001","7.427","0.001","9.516","0.001","90","","112.88","0.01","90","","709.55","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(S)-prolinamidato]copper(II) dihydrate","","- C10 H22 Cu N4 O4 -","- C10 H22 Cu N4 O4 -","- C20 H44 Cu2 N8 O8 -","2","1","AL1038","Gasparri Fava, G.; Belicchi Ferrari, M.; Pelosi, G.; De Munari, E.; Corradini, R.; Marchelli, R.; Dossena, A.","Structure of bis[(<i>S</i>)-prolinamidato]copper(II) dihydrate","Acta Crystallographica Section C","1993","49","8","1449","1452","10.1107/S0108270193001179","","","1.54178","CuKα","","","0.043","","","0.048","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001433","15.945","0.004","9.845","0.003","8.912","0.003","90","","90","","90","","1399","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H18 N2 Na2 O10 -","- C10 H18 N2 Na2 O10 -","- C40 H72 N8 Na8 O40 -","4","0.5","AL1024","Font-Bardia, M.; Solans, X.; Font-Altaba, M.","Sodium ion complexes with ethylenediaminetetraacetic acid","Acta Crystallographica Section C","1993","49","8","1452","1456","10.1107/S0108270193001350","","","0.71069","MoKα","","","0.063","","","0.066","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001434","13.326","0.004","9.353","0.003","8.478","0.003","99.71","0.03","115.41","0.03","92.34","0.03","933.1","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 N2 Na4 O13 -","- C10 H21 N2 Na4 O13 -","- C20 H42 N4 Na8 O26 -","2","1","AL1024","Font-Bardia, M.; Solans, X.; Font-Altaba, M.","Sodium ion complexes with ethylenediaminetetraacetic acid","Acta Crystallographica Section C","1993","49","8","1452","1456","10.1107/S0108270193001350","","","0.71069","MoKα","","","0.063","","","0.063","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001435","15.582","0.007","10.816","0.005","19.701","0.01","90","","108.99","0.04","90","","3140","3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C32 H30 Cl4 P2 Ru -","- C32 H30 Cl4 P2 Ru -","- C128 H120 Cl16 P8 Ru4 -","4","1","HH1036","Suravajjala, S.; Porter, L. C.","Structure of [1,2-bis(diphenylphosphino)ethane]chloro(η^5^-cyclopentadienyl)ruthenium(II)","Acta Crystallographica Section C","1993","49","8","1456","1458","10.1107/S0108270193001386","","","0.71073","MoKα","","","4.82","","","7.5","","","","","0.79","0.79","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001436","23.125","0.007","9.131","0.002","19.36","0.005","90","","91.01","0.03","90","","4087.3","1.9","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H2 O13 Ru4 -","- C13 O13 Ru4 -","- C104 O104 Ru32 -","8","2","ST1022","Rheingold, A. L.","A new polymorph of tetraruthenium tridecacarbonyl dihydride","Acta Crystallographica Section C","1993","49","8","1458","1461","10.1107/S0108270193000101","","","0.71073","MoKα","","","0.056","","","0.0635","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001437","16.609","0.003","13.662","0.005","17.28","0.004","90","","101.32","0.02","90","","3844.8","1.8","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 F6 Ir N O6 P2 -","- C37 H44 F9 Ir N O6 P2 -","- C148 H176 F36 Ir4 N4 O24 P8 -","4","1","HA1031","Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.","Structure of an iridium(I) complex of tris(2,6-dimethoxyphenyl)phosphine, [Ir(C~8~H~12~)(C~5~H~5~N)(P{2,6-(CH~3~O)~2~C~6~H~3~}~3~)][PF~6~]","Acta Crystallographica Section C","1993","49","8","1461","1463","10.1107/S0108270193000253","","","0.71069","MoKα","","","0.045","","","0.047","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001438","10.792","0.002","11.369","0.003","13.943","0.003","86.64","0.03","95.24","0.03","101.91","0.03","1665.5","0.7","295","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H62 Cl4 N12 O7 Yb2 -","- C73 H62 Cl4 N12 O7 Yb2 -","- C73 H62 Cl4 N12 O7 Yb2 -","1","0.5","NA1028","Benetollo, F.; Bombieri, G.; Grillone, M. D.","Structure of [Yb(OH)(C~12~H~8~N~2~)~2~(H~2~O)~2~]~2~Cl~4~.2C~12~H~8~N~2~.CH~3~OH","Acta Crystallographica Section C","1993","49","8","1463","1465","10.1107/S0108270193001131","","","0.71069","MoKα","","","0.0158","","","0.0173","","","","","1.13","1.13","","","","","has coordinates","190829","2020-10-21","18:00:00",""
"2001439","14.484","0.002","8.48","0.001","13.087","0.001","90","","114.753","0.007","90","","1459.7","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C12 H10 Mn N4 O10 -","- C12 H10 Mn N4 O10 -","- C48 H40 Mn4 N16 O40 -","4","0.5","DU1014","Nepveu, F.; Berkaoui, M. 'H.; Walz, L.","Structure of bis(hydronium) bis(pyrazine-2,3-dicarboxylato)manganate, a polymeric Mn^II^ complex","Acta Crystallographica Section C","1993","49","8","1465","1466","10.1107/S0108270193003324","","","0.71073","MoKα","","","0.0332","","","0.0242","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001440","12.184","0.005","12.616","0.004","15.243","0.004","99.07","0.02","91.12","0.03","112.24","0.03","2133.6","1.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","μ-1,2-Bis(dicyclohexylphosphino)ethane]- bis[1,2-bis(dicyclohexylphosphino)ethanegold(I)] Bis(dicyanoaurate)","","- C82 H144 Au4 N4 P6 -","- C82 H144 Au4 N4 P6 -","- C82 H144 Au4 N4 P6 -","1","0.5","HH1004","McCleskey, T. M.; Henling, L. M.; Flanagan, K. A.; Gray, H. B.","Structure of μ-1,2-bis(dicyclohexylphosphino)ethane-bis{[1,2-bis(dicyclohexylphosphino)ethane]gold(I)} bis(dicyanoaurate)","Acta Crystallographica Section C","1993","49","8","1467","1469","10.1107/S0108270193000599","","","0.71073","MoKα","","0.0424","0.0424","","0.0045","0.0045","","","","1.45","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001441","15.595","0.003","24.39","0.005","11.868","0.004","104.07","0.02","74.05","0.02","95.35","0.01","4208.4","1.9","120","","","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H90 Cu2 N2 O8 -","- C106 Cu2 N2 O8 -","- C212 Cu4 N4 O16 -","2","1","AS1031","Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.","Dimeric copper(II) triphenylacetate adducts with 4-picoline","Acta Crystallographica Section C","1993","49","8","1469","1473","10.1107/S010827019300126X","","","0.71073","MoKα","","","0.078","","","0.079","","","","","2.2","2.2","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001442","15.569","0.002","24.619","0.004","12.005","0.003","103.75","0.02","73.62","0.01","95.94","0.01","4284.9","1.5","290","","","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H86 Cu2 N2 O8 -","- C104 Cu2 N2 O8 -","- C208 Cu4 N4 O16 -","2","1","AS1031","Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.","Dimeric copper(II) triphenylacetate adducts with 4-picoline","Acta Crystallographica Section C","1993","49","8","1469","1473","10.1107/S010827019300126X","","","0.71073","MoKα","","","0.091","","","0.079","","","","","1.99","1.99","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001443","8.2306","0.001","22.4835","0.0019","13.5614","0.0013","90","","97.906","0.009","90","","2485.7","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro(trimesitylphosphine)gold(I)","Chloro(trimesitylphosphine)gold(I)","","- C27 H33 Au Cl P -","- C27 H33 Au Cl P -","- C108 H132 Au4 Cl4 P4 -","4","1","AB1050","Alyea, E. C.; Ferguson, G.; Gallagher, J. F.; Malito, J.","Chloro(trimesitylphosphine)gold(I)","Acta Crystallographica Section C","1993","49","8","1473","1476","10.1107/S0108270192012757","","","0.7093","MolybdenumKα","","0.077","0.032","","0.039","0.032","","","","","1.13","1.13","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2001444","17.792","0.018","16.491","0.018","24.28","0.04","90","","94.01","0.1","90","","7107","16","293","","","","","","","","","","","7","C 1 c 1","C -2yc","","","","","- C40 H27 Cu2 N9 O0.5 S0.9 Se1.1 -","- C40 Cu2 N10 O0.5 Se2 -","- C320 Cu16 N80 O4 Se16 -","8","2","KA1017","Dunaj-Jurčo, M.; Kabešová, M.; Kettmann, V.; Císařová, I.; Mikloš, D.","Structure of a mixed-valence copper complex with 1,10-phenanthroline and pseudohalogenide ligands","Acta Crystallographica Section C","1993","49","8","1476","1479","10.1107/S0108270193000745","","","0.71069","MoKα","","","0.065","","","0.056","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001445","11.483","0.015","12.066","0.015","15.586","0.008","107.32","0.1","107.11","0.09","106.79","0.09","1795","4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Cu2 N9 O5 -","- C39 H34 Cu2 N9 O5 -","- C78 H68 Cu4 N18 O10 -","2","1","KA1018","Dunaj-Jurčo, M.; Potočňák, I.; Cíbik, J.; Kabešová, M.; Kettmann, V.; Mikloš, D.","Mixed-valence Cu^I^–Cu^II^ complexes. Structure of cyanobis(1,10-phenanthroline)copper(II) bis(cyano)(1,10-phenanthroline)cuprate(I) pentahydrate","Acta Crystallographica Section C","1993","49","8","1479","1482","10.1107/S0108270193001775","","","0.71069","MoKα","","","0.058","","","0.051","","","","","1.61","1.61","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001446","13.239","0.001","13.239","0.001","18.4","0.002","90","","90","","90","","3225","0.5","293","1","133","1","","","","","","","","5","P -4 21 c","P -4 2n","114","Di-sodium-hexasulfido-bis(pentamethyldiethylendiamine)","","","- C18 H46 N6 Na2 S6 -","- C18 H46 N6 Na2 S6 -","- C72 H184 N24 Na8 S24 -","4","0.5","HL1023","Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S.","Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide","Acta Crystallographica Section C","1993","49","8","1482","1483","10.1107/S0108270193001167","","","0.71073","MoKα","","0.033","0.0269","","0.0616","0.057","","","","1.08","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001447","23.586","0.008","12.584","0.002","14.54","0.005","90","","93.83","0.03","90","","4306","2","293","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","","","","","- C36 H54 Cl2 Hg N2 O8 P2 Ru2 -","- C36 H54 Cl2 Hg N2 O8 P2 Ru2 -","- C144 H216 Cl8 Hg4 N8 O32 P8 Ru8 -","4","0.5","HU1035","García-Granda, S.; Van der Maelen Uría, J. F.; Cabeza, J. A.; Fernández-Colinas, J. M.; Riera, V.","Structure of μ-[bis(chloroacetato-<i>O</i>)-mercury(II)-κ^2^<i>Hg</i>]-μ-[1,8-naphthalenediamino-κ^2^<i>NN</i>':κ^2^<i>NN</i>']-bis[<i>cis</i>-dicarbonyl(triisopropylphosphine-<i>P</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>)","Acta Crystallographica Section C","1993","49","8","1483","1485","10.1107/S010827019300160X","","","0.71073","MoKα","","","0.033","","","0.034","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001448","9.917","0.003","10.309","0.002","18.695","0.01","90","","99.17","0.03","90","","1886.8","1.2","300","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cl2 N4 Ni O12 -","- C8 H22 Cl2 N4 Ni O12 -","- C32 H88 Cl8 N16 Ni4 O48 -","4","1","LI1039","Lee, T.-J.; Wang, A.; Chi, T.-Y.; Chung, C.-S.","Structure of diaqua(4,7-diazadecanediamide-<i>N</i>^4^,<i>N</i>^7^,<i>O</i>,<i>O</i>')nickel(II) perchlorate","Acta Crystallographica Section C","1993","49","8","1485","1487","10.1107/S0108270193001246","","","0.71073","MoKα","","","0.0552","","","0.0556","","","","","1.78","1.78","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001449","10.76","0.003","6.763","0.003","23.722","0.006","90","","93.05","0.02","90","","1723.8","1","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C24 H8 Cu2 F24 N2 O8 -","- C24 H8 Cu2 F24 N2 O8 -","- C48 H16 Cu4 F48 N4 O16 -","2","0.5","HH1035","Romero, R. R.; Porter, L. C.","Structure of μ-pyrazine-bis[bis(hexafluoroacetylacetonato)copper(II)]","Acta Crystallographica Section C","1993","49","8","1487","1489","10.1107/S0108270193001854","","","0.71073","MoKα","","","0.0745","","","0.0591","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001450","10.799","0.003","10.676","0.005","19.894","0.004","90","","97.13","0.02","90","","2275.8","1.3","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 K N O Si -","- C19 H36 K N O Si -","- C76 H144 K4 N4 O4 Si4 -","4","1","HH1051","Schaefer, W. P.; Cotter, W. D.; Bercaw, J. E.","The monopotassium salt of the ligand of a Ziegler–Natta catalyst","Acta Crystallographica Section C","1993","49","8","1489","1492","10.1107/S0108270193001842","","","0.71073","MoKα","","","0.064","","","0.013","","","","","3.36","3.36","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001451","9.938","0.002","8.579","0.003","14.783","0.003","90","","93.53","0.02","90","","1258","0.6","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 O6 P4 Re2 -","- C8 H14 O3 P2 Re -","- C16 H28 O6 P4 Re2 -","2","1","HH1037","Tyler, D. R.; Weakley, T. J. R.","A second crystal form of bis-μ-[bis(dimethylphosphino)methane]-bis(tricarbonylrhenium)(<i>Re</i>‒<i>Re</i>), Re~2~(dmpm)~2~(CO)~6~","Acta Crystallographica Section C","1993","49","8","1492","1493","10.1107/S0108270193001696","","","0.71069","MoKα","","","0.031","","","0.038","","","","","1.55","1.55","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001452","10.538","0.003","19.21","0.004","8.686","0.002","90","","101.56","0.04","90","","1722.7","0.8","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H12 As Cl3 F6 Ru2 -","- C12 H12 As Cl3 F6 Ru2 -","- C48 H48 As4 Cl12 F24 Ru8 -","4","1","ST1045","McCormick, F. B.; Gleason, W. B.","Structure of tri-μ-chloro-bis[(η^6^-benzene)ruthenium(II)] hexafluoroarsenate","Acta Crystallographica Section C","1993","49","8","1493","1496","10.1107/S0108270193001490","","","0.71073","MoKα","","","0.041","","","0.052","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001453","26.119","0.009","4.989","0.002","11.91","0.007","90","","106.29","0.04","90","","1489.7","1.2","293","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 Cl2 O6 Zn -","- C7 H6 Cl O3 Zn0.5 -","- C28 H24 Cl4 O12 Zn2 -","4","1","KA1020","Potočňák, I.; Dunaj-Jurčo, M.; Černák, J.","Structure of diaquabis(4-chlorobenzoato)zinc(II)","Acta Crystallographica Section C","1993","49","8","1496","1498","10.1107/S0108270193001398","","","0.71069","MoKα","","","0.04","","","0.0409","","","","","0.363","0.363","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001454","24.375","0.009","9.791","0.006","16.127","0.006","90","","115.66","0.03","90","","3469","3","293","","","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H30 Cl I2 O P2 Re -","- C18 H15 Cl0.5 I O0.5 P Re0.5 -","- C72 H60 Cl2 I4 O2 P4 Re2 -","4","1","CD1027","Rossi, S.; Bélanger, S.; Lebuis, A.-M.; Beauchamp, A. L.","Structure of (<i>OC</i>-6-14)-chlorodiiodooxobis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1993","49","8","1498","1500","10.1107/S0108270193001441","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001455","7.3138","0.0005","10.6101","0.0006","21.2238","0.0011","90","","94.443","0.005","90","","1642.02","0.17","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rel(1S,2R,4R,6S,9S,10R,11S)-4-methoxycarbonyl-1-methyl-tricyclo [7.4.0.0^2,6^]tridec-7-ene-10,11-diol-4,2-carbolactone monohydrate","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","CD1039","Michel, A. G.; Drouin, M.","Functionalized hydrocarbons with condensed ring skeletons. XIII. A substituted 1-methyltricyclo[7.4.0.0^2,6^]tridec-7-ene","Acta Crystallographica Section C","1993","49","8","1500","1502","10.1107/S0108270193001726","","","0.7093","MolybdenumKα","","0.073","0.04","","0.037","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001456","8.906","0.003","9.826","0.003","28.039","0.008","90","","90","","90","","2453.7","1.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C27 H30 Br N O2 -","- C27 H30 Br N O2 -","- C108 H120 Br4 N4 O8 -","4","1","HA0113","Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.","Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines","Acta Crystallographica Section C","1993","49","8","1502","1507","10.1107/S0108270193000174","","","0.71069","MoKα","","","0.078","","","0.068","","","","","1.49","1.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001457","7.052","0.002","12.159","0.001","13.858","0.003","94.12","0.01","90.96","0.02","94.06","0.02","1181.9","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br N O2 -","- C26 H28 Br N O2 -","- C52 H56 Br2 N2 O4 -","2","1","HA0113","Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.","Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines","Acta Crystallographica Section C","1993","49","8","1502","1507","10.1107/S0108270193000174","","","0.71069","MoKα","","","0.031","","","0.04","","","","","1","1","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001458","5.833","0.003","35.11","0.02","11.828","0.006","90","","101.31","0.04","90","","2375","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O2 -","- C30 H23 Cl N O2 -","- C120 H92 Cl4 N4 O8 -","4","1","HA0113","Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.","Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines","Acta Crystallographica Section C","1993","49","8","1502","1507","10.1107/S0108270193000174","","","0.71069","MoKα","","","0.078","","","0.09","","","","","2.61","2.61","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001459","7.6958","0.0004","9.4503","0.0006","19.4832","0.0008","90","","90","","90","","1416.97","0.13","300","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C10 H12 I N O6 S -","- C10 H12 I N O6 S -","- C40 H48 I4 N4 O24 S4 -","4","1","ST1041","Sun, G.; Fronczek, F. R.; Gandour, R. D.","(<i>R</i>)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate","Acta Crystallographica Section C","1993","49","8","1507","1509","10.1107/S0108270193000344","","","0.71073","MoKα","","","0.032","","","0.04","","","","","2.139","2.139","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001460","10.159","0.002","13.533","0.005","10.016","0.003","108.1","0.02","102.92","0.02","96.3","0.02","1251.6","0.7","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","(1S,3S)-3-acetyl-5-methoxy-3-methylthio-1,2,3,4- tetrahydronaphthalene-1,8-diyl di(benzoate)","","- C28 H26 O6 S -","- C28 H26 O6 S -","- C56 H52 O12 S2 -","2","2","AS1040","Kamei, S.; Sakai, Y.; Ohashi, Y.; Adachi, A.; Tanino, K.; Kuwajima, I.","Structure of an optically active anthracycline precursor","Acta Crystallographica Section C","1993","49","8","1509","1511","10.1107/S0108270193000988","","","1.54184","CuKα","","","0.0425","","","0.0556","","","","","2.45","2.45","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2001461","25.126","0.004","18.96","0.002","11.014","0.002","90","","94.22","0.01","90","","5232.7","1.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","α-phenyl-4'-bis(4-methylphenyl)-amino-stilbene","","- C34 H29 N -","- C34 H29 N -","- C272 H232 N8 -","8","2","AS1045","Chiba, E.","Structures of α-phenyl-amino-stilbene derivatives","Acta Crystallographica Section C","1993","49","8","1511","1514","10.1107/S0108270193002057","","","1.5418","CuKα","","0.079","0.079","","0.076","0.076","","","","2.29","2.29","2.29","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"2001462","21.595","0.005","10.311","0.003","11.206","0.001","90","","97.44","0.03","90","","2474.2","1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-phenyl-N-phenyl-N-(4-methoxyphenyl)-4'-amino-stilbene","","- C33 H27 N O -","- C33 H27 N O -","- C132 H108 N4 O4 -","4","1","AS1045","Chiba, E.","Structures of α-phenyl-amino-stilbene derivatives","Acta Crystallographica Section C","1993","49","8","1511","1514","10.1107/S0108270193002057","","","1.5418","CuKα","","0.053","0.053","","0.047","0.047","","","","1.19","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001463","11.015","0.003","12.87","0.001","10.575","0.001","90","","94.78","0.01","90","","1493.9","0.4","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4,5,8,9,10-hexamethyl-1,2,5,8-dithiadiazecine-6,7(5H,8H)- dione","","- C12 H18 N2 O2 S2 -","- C12 H18 N2 O2 S2 -","- C48 H72 N8 O8 S8 -","4","1","AS1048","Yamaguchi, K.; Itoh, T.; Nagata, K.; Okada, M.; Ohsawa, A.","Two novel ten-membered ring compounds: 1,2,5,8-dithiadiazecine-6,7-diones","Acta Crystallographica Section C","1993","49","8","1514","1517","10.1107/S010827019300099X","","","1.5405","CuKα~1~","","","0.0396","","","0.0464","","","","","1.458","1.458","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001464","10.344","0.003","11.27","0.003","12.361","0.004","102.63","0.03","106.08","0.03","115.82","0.02","1146.5","0.8","293","1","173","1","","","","","","","","2","P -1","-P 1","2","","15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0. 2.0.2.0.2.0]hexadecane","","- C30 H32 -","- C30 H32 -","- C60 H64 -","2","1","HU1043","Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.","15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0.2.0.2.0.2.0]hexadecane, C~30~H~32~","Acta Crystallographica Section C","1993","49","8","1517","1519","10.1107/S0108270193000472","","","0.71073","MoKα","","0.0703","0.0489","","0.1435","0.1142","","","","0.99","0.954","0.954","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001465","18.456","0.002","24.097","0.003","7.54","0.001","90","","91.8","0.1","90","","3351.6","0.7","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","2","LI1040","Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R.","Structure of <i>N</i>-nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonane","Acta Crystallographica Section C","1993","49","8","1519","1522","10.1107/S0108270193001258","","","1.5418","CuKα","","","0.045","","","0.045","","","","","1.362","1.362","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001466","12.491","0.008","11.85","0.004","8.068","0.003","90","","103.41","0.05","90","","1161.7","1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzoylmethane","1,3-diphenyl-1,3-propanedione","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","KA1028","Kaitner, B.; Meštrović, E.","Structure of a new crystal modification of 1,3-diphenyl-1,3-propanedione","Acta Crystallographica Section C","1993","49","8","1523","1525","10.1107/S0108270193001787","","","0.7093","MoKα","","","0.042","","","0.045","","","","","0.967","0.967","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001467","4.8238","0.0015","7.51","0.002","11.915","0.004","84.37","0.02","80.74","0.02","78.18","0.02","416","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6.5 Cl0.5 N2 O2 -","- C14 H13 Cl N4 O6 -","- C14 H13 Cl N4 O6 -","1","0.5","GR1005","Horan, C. J.; Haney, P. E.; Barnes, C. L.; Glaser, R.","Symmetrically H-bridged dimer of 2-carboxylatobenzenediazonium. The 1:1 complex between 2-carboxybenzenediazonium chloride and benzenediazonium-2-carboxylate","Acta Crystallographica Section C","1993","49","8","1525","1528","10.1107/S0108270193001040","","","0.71073","Mo","","","0.058","","","0.075","","","","","1.84","1.84","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001468","10.922","0.003","18.858","0.005","11.701","0.004","90","","104.6","0.03","90","","2332.2","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C84 H128 N8 O20 -","4","2","AS1034","Doi, M.; In, Y.; Ikuma, K.; Inoue, M.; Ishida, T.","Structure of Boc-Phe-<small>D</small>-Leu-OMe","Acta Crystallographica Section C","1993","49","8","1528","1530","10.1107/S0108270193002045","","","1.5418","CuKα","","","0.053","","","0.057","","","","","1.505","1.505","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001469","29.807","0.01","9.469","0.002","11.515","0.002","90","","90","","90","","3250","1.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C28 H46 N4 O8 -","- C28 H46 N4 O8 -","- C112 H184 N16 O32 -","4","1","AS1046","Doi, M.; In, Y.; Tanaka, M.; Inoue, M.; Ishida, T.","Structure of Boc-Phe-<small>D</small>-Leu-Thr-OMe","Acta Crystallographica Section C","1993","49","8","1530","1532","10.1107/S0108270193002069","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.804","0.804","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001470","15.722","0.003","3.906","0.001","21.969","0.004","90","","99.44","0.02","90","","1330.8","0.5","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","LI1036","Yip, B.-C.; Fun, H.-K.; Teoh, S.-G.; Shawkataly, O. B.","Structure of 2-(1-naphthyl)-5-phenyl-1,3-oxazole (α-NPO)","Acta Crystallographica Section C","1993","49","8","1532","1534","10.1107/S0108270193001192","","","0.71069","MoKα","","","0.0382","","","0.0338","","","","","1.09","1.09","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001471","6.421","0.002","6.658","0.004","13.758","0.005","85.53","0.03","99.7","0.03","117.54","0.03","514.1","0.4","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","HH1010","Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Sharp, T. R.","A twisted pentacyclic diol derivative","Acta Crystallographica Section C","1993","49","8","1534","1536","10.1107/S0108270193001222","","","0.71073","MoKα","","","0.0531","","","0.054","","","","","0.5522","0.5522","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001472","8.804","0.003","6.472","0.002","29.075","0.012","90","","94.75","0.02","90","","1651","1","153","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C17 H21 Cl N2 O2 -","- C17 H21 Cl N2 O2 -","- C68 H84 Cl4 N8 O8 -","4","1","VS1003","Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Huipe-Nave, E.; Mendoza, V.","Structure of 3-(3,5-dimethylpiperidino)-<i>N</i>-(<i>p</i>-chlorophenyl)succinimide","Acta Crystallographica Section C","1993","49","8","1536","1537","10.1107/S0108270193001908","","","0.71073","MoKα","","","0.052","","","0.064","","","","","2.16","2.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001473","10.3739","0.0005","12.0037","0.0006","17.3827","0.0009","81.416","0.004","78.567","0.004","78.379","0.004","2064.62","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene","25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene","","- C52 H44 N4 O4 -","- C52 H44 N4 O4 -","- C104 H88 N8 O8 -","2","1","AB1052","Ferguson, G.; Gallagher, J. F.; Pappalardo, S.","Structure of the partial cone conformer of 25,26,27,28-tetrakis[(2-pyridylmethyl)oxy]calix[4]arene","Acta Crystallographica Section C","1993","49","8","1537","1540","10.1107/S0108270193000897","","","0.7093","MoKα","","0.169","0.053","","0.069","0.054","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001474","8.6406","0.0008","17.151","0.001","14.542","0.001","90","","106.106","0.008","90","","2070.5","0.3","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N4 O2 S -","- C20 H28 N4 O2 S -","- C80 H112 N16 O8 S4 -","4","1","OH1005","Fujii, I.; Hirayama, N.; Miike, A.","Structure of 3,7-bis(dimethylamino)-10-(<i>N</i>-methylcarbamoyl)phenothiazine(MCDP)–ethanol (1/1)","Acta Crystallographica Section C","1993","49","8","1540","1541","10.1107/S0108270193001866","","","1.54184","CuKα","","","0.06","","","0.082","","","","","2.87","2.87","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001475","27.699","0.003","27.699","0.003","6.169","0.001","90","","90","","90","","4733.1","1.1","297","","","","","","","","","","","3","I 41/a","-I 4ad","88","","5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine","","- C30 H20 N6 -","- C30 H20 N6 -","- C240 H160 N48 -","8","","SE1020","Breu, J.; Range, K.-J.","Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine","Acta Crystallographica Section C","1993","49","8","1541","1543","10.1107/S0108270193001556","","","1.54185","CuKα","","","0.066","","","0.034","","","","","","","","","","","has coordinates","203843","2020-10-21","18:00:00",""
"2001476","9.7659","0.0006","21.6128","0.0013","11.104","0.0007","90","","110.56","0.01","90","","2194.4","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C56 H44 As2 N4 -","- C56 H44 As2 N4 -","- C112 H88 As4 N8 -","2","0.5","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.04","","","0.034","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001477","9.886","0.0014","16.416","0.005","14.909","0.003","90","","99.391","0.017","90","","2387.1","0.9","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 As2 N4 -","- C58 H48 As2 N4 -","- C116 H96 As4 N8 -","2","0.5","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.072","","","0.051","","","","","3.63","3.63","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001478","9.867","0.002","18.3696","0.0019","13.1791","0.0011","90","","102.875","0.014","90","","2328.7","0.6","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 As2 Cl2 N4 -","- C56 H42 As2 Cl2 N4 -","- C112 H84 As4 Cl4 N8 -","2","0.5","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.026","","","0.02","","","","","4.02","4.02","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001479","10.0609","0.001","10.259","0.0011","12.0028","0.001","101.936","0.011","103.436","0.008","90.783","0.01","1176.4","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H40 As2 Cl4 N4 -","- C14 H10 As0.5 Cl N -","- C56 H40 As2 Cl4 N4 -","4","2","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.048","","","0.029","","","","","1.974","1.974","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001480","26.304","0.011","12.639","0.006","16.825","0.006","90","","116.68","0.03","90","","4998","4","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C25 H41 N2 O2 P -","- C25 H41 N2 O2 P -","- C200 H328 N16 O16 P8 -","8","1","ST1044","Koeller, K. J.; Rath, N. P.; Spilling, C. D.","Structure of a chiral bicyclic 1-hydroxyalkyl phosphonamide","Acta Crystallographica Section C","1993","49","8","1547","1549","10.1107/S0108270193001507","","","0.71073","MoKα","","","0.062","","","0.065","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001481","6.8294","0.0009","19.627","0.003","15.702","0.003","90","","98.3","0.014","90","","2082.7","0.6","193","","193","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(nonafluoroisobutyl)phosphine oxide","","- C12 F27 O P -","- C12 F27 O P -","- C48 F108 O4 P4 -","4","1","BR1029","Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.","Structure of tris(nonafluoroisobutyl)phosphine oxide","Acta Crystallographica Section C","1993","49","8","1549","1551","10.1107/S0108270193000721","","","0.71073","MoKα","","0.0411","0.0331","","0.0459","0.043","","","","","1.379","1.379","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001482","7.453","0.0004","9.5633","0.0005","27.831","0.003","90","","90","","90","","1983.7","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C20 H26 Cl2 N2 O2 -","- C20 H26 Cl2 N2 O2 -","- C80 H104 Cl8 N8 O8 -","4","1","CR1018","Ammon, H. L.; Youssefyeh, R. D.; Airey, J. E.; Studt, W. L.; Campbell, H. F.; Powers, M. R.; Golec, F. A.","Structure and absolute configuration of a high affinity 5-HT~3~ receptor antagonist, (5a<i>S</i>,9a<i>S</i>)-<i>N</i>-[(3<i>S</i>)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-4-dibenzofurancarboxamide hydrochloride","Acta Crystallographica Section C","1993","49","8","1551","1554","10.1107/S0108270193000824","","","1.5418","CuKα","","","0.03","","","0.04","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001483","9.878","0.001","12.326","0.001","16.512","0.003","102.37","0.01","91.05","0.02","94.22","0.01","1957.2","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Au S10 Te -","- C9 H9 Au S10 Te -","- C36 H36 Au4 S40 Te4 -","4","2","CR1020","Swaminathan, K.; Carroll, P. J.; Kochurani; Singh, H. B.; Bhargava, H. D.","Structure of trimethyltelluronium bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III)","Acta Crystallographica Section C","1993","49","7","1243","1246","10.1107/S0108270193002999","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001484","31.676","0.011","8.19","0.002","6.6242","0.0006","90","","90","","90","","1718.5","0.7","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C13 H20 Cl2 N4 Pt S -","- C13 H20 Cl2 N4 Pt S -","- C52 H80 Cl8 N16 Pt4 S4 -","4","1","HH1049","Arvanitis, G. M.; Berardini, M. E.; Parkinson, G. N.; Schneider, B. S.","Structure of a platinum(II) complex of levamisole","Acta Crystallographica Section C","1993","49","7","1246","1248","10.1107/S0108270193002471","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001485","12.902","0.001","20.561","0.002","13.558","0.006","90","","109.38","0.02","90","","3392.8","1.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cu2 N4 O12 -","- C36 H24 Cu2 N4 O12 -","- C144 H96 Cu8 N16 O48 -","4","1","KA1021","Poleti, D.; Karanović, Lj.; Prelesnik, B. V.","A polymeric copper(II) complex with 2,2'-bipyridine and 1,2-benzenedicarboxylate(2–)","Acta Crystallographica Section C","1993","49","7","1249","1251","10.1107/S0108270193001404","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001486","14.117","0.002","11.04","0.002","8.828","0.001","90","","106.8","0.02","90","","1317.1","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H22 Cl2 N4 Ni O2 -","- C6 H22 Cl2 N4 Ni O2 -","- C24 H88 Cl8 N16 Ni4 O8 -","4","1","NA1022","Marzotto, A.; Clemente, D. A.; Valle, G.","Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate","Acta Crystallographica Section C","1993","49","7","1252","1255","10.1107/S0108270193001416","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001487","11.236","0.002","11.709","0.003","19.897","0.004","75.55","0.02","81.02","0.01","78.92","0.02","2471.5","1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cl2 Fe4 N4 O14 -","- C38 Cl2 Fe4 N5 O14 -","- C76 Cl4 Fe8 N10 O28 -","2","1","CR1024","Wu, L.; Pressprich, M.; Coppens, P.; DeMarco, M. J.","A new tetranuclear iron(III) complex with an [Fe~4~O~2~] core: synthesis, structure and Mössbauer studies of [Fe~4~(μ~3~-O)~2~(μ-O~2~CCH~3~)~6~Cl~2~(3-Mepy)~4~].CH~3~C=N (3-Mepy = 3-methylpyridine)","Acta Crystallographica Section C","1993","49","7","1255","1258","10.1107/S0108270193002100","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001488","6.639","0.002","8.443","0.003","13.559","0.004","90","","100.73","0.02","90","","746.7","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C6 H18 Cl4 P2 Tc -","- C6 H18 Cl4 P2 Tc -","- C12 H36 Cl8 P4 Tc2 -","2","0.5","CD1023","Rochon, F. D.; Melanson, R.","Structures of <i>trans</i>-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~]","Acta Crystallographica Section C","1993","49","7","1259","1262","10.1107/S010827019300321X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001489","15.12","0.004","11.038","0.003","21.146","0.006","90","","128.59","0.02","90","","2758.5","1.5","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C54 H64 Cl6 O2 P2 Tc -","- C54 H64 Cl6 O2 P2 Tc -","- C108 H128 Cl12 O4 P4 Tc2 -","2","0.5","CD1023","Rochon, F. D.; Melanson, R.","Structures of <i>trans</i>-[TcCl~4~{P(CH~3~)~3~}~2~] and [P(C~7~H~7~)~3~{C(CH~3~)~2~CH~2~COCH~3~}]~2~[TcCl~6~]","Acta Crystallographica Section C","1993","49","7","1259","1262","10.1107/S010827019300321X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001490","8.9522","0.001","15.356","0.002","26.317","0.003","90","","98","0.1","90","","3582.6","1.1","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H15 Co6 O11 P S2 -","- C30 H15 Co6 O11 P S2 -","- C120 H60 Co24 O44 P4 S8 -","4","1","NA1030","Gervasio, G.; Rossetti, R.","Structure of μ~6~-carbido-undecacarbonyldi(μ~3~-sulfido)(triphenylphosphine)-<i>triprismo</i>-hexacobalt","Acta Crystallographica Section C","1993","49","7","1262","1264","10.1107/S0108270193002239","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001491","12.369","0.009","7.958","0.008","13.818","0.009","90","","90","","90","","1360.1","1.9","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C5 H18 Co N5 O4 S3 -","- C5 H18 Co N5 O4 S3 -","- C20 H72 Co4 N20 O16 S12 -","4","1","CD1005","Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.","Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)","Acta Crystallographica Section C","1993","49","7","1265","1267","10.1107/S0108270193001970","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001492","9.941","0.008","8.884","0.005","16.41","0.02","90","","94.03","0.08","90","","1446","2","","","","","","","","","","","","6","P 1 c 1","P -2yc","","","","","- C5 H19 Co N5 O4.5 S3 -","- C5 H19 Co N5 O4.5 S3 -","- C20 H76 Co4 N20 O18 S12 -","4","2","CD1005","Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.","Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)","Acta Crystallographica Section C","1993","49","7","1265","1267","10.1107/S0108270193001970","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001493","3.8603","0.0005","3.8603","0.0005","12.729","0.003","90","","90","","90","","189.69","0.06","100","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","SH1024","Walz, L.; Lichtenberg, F.","Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data","Acta Crystallographica Section C","1993","49","7","1268","1270","10.1107/S0108270192013143","","","0.71073","MoKα","","","0.0146","","","0.0129","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001494","3.8694","0.0004","3.8694","0.0004","12.746","0.002","90","","90","","90","","190.84","0.04","295","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","SH1024","Walz, L.; Lichtenberg, F.","Refinement of the structure of Sr~2~RuO~4~ with 100 and 295 K X-ray data","Acta Crystallographica Section C","1993","49","7","1268","1270","10.1107/S0108270192013143","","","0.71073","MoKα","","","0.0197","","","0.0168","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001495","10.873","0.005","10.873","0.005","10.873","0.005","90","","90","","90","","1285.4","1","293","","","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","","","","","- In2 S4 Yb2 -","- In3 S4 Yb4 -","- In24 S32 Yb32 -","8","","DU1005","Likforman, A.; Guittard, M.","Structure cristalline du sulfure d'ytterbium et d'indium: Yb~4/3~In~4/3~S~4~","Acta Crystallographica Section C","1993","49","7","1270","1271","10.1107/S0108270192013131","","","0.71069","MoKα","","","0.047","","","0.051","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001496","7.8906","0.0003","7.8906","0.0003","5.6628","0.0004","90","","90","","120","","305.34","0.03","296","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Br2 Co H12 O14 -","- Br2 Co H12 O14 -","- Br2 Co H12 O14 -","1","0.0833333","CR1038","Blackburn, A. C.; Gerkin, R. E.","Structure of hexaaquacobalt(II) perbromate","Acta Crystallographica Section C","1993","49","7","1271","1275","10.1107/S0108270192013465","","","0.71073","MoKᾱ","","","0.036","","","0.033","","","","","1.33","1.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001497","6.9439","0.0009","8.851","0.001","5.0143","0.0008","90","","97.25","0.01","90","","305.72","0.07","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cu Na O4 P -","- Cu Na O4 P -","- Cu4 Na4 O16 P4 -","4","1","DU1029","Kawahara, A.; Kageyama, T.; Watanabe, I.; Yamakawa, J.","Structure du monophosphate synthétique de cuivre et de sodium","Acta Crystallographica Section C","1993","49","7","1275","1277","10.1107/S0108270193000460","","","0.71069","MoKα","","","0.041","","","0.047","","","","","2.62","2.62","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001498","15.33","0.003","19.808","0.004","16.915","0.003","90","","101.638","0.015","90","","5030.8","1.7","167","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 As2 N5 O6 Re -","- C52 H45 As2 N5 O6 Re -","- C208 H180 As8 N20 O24 Re4 -","4","1","BR1026","Britten, J. F.; Lock, C. J. L.; Wei, Y.","Bis(tetraphenylarsonium) aquatetra(cyano-<i>C</i>)nitridorhenate(V) pentahydrate","Acta Crystallographica Section C","1993","49","7","1277","1280","10.1107/S0108270193001155","","","0.56086","AgKα","","","0.0583","","","0.0315","","","","","1.41","1.41","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001499","10.978","0.001","9.628","0.001","15.53","0.002","90","","90","","90","","1641.5","0.3","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Aminotriphenylphosphonium bromide","","- C18 H17 Br N P -","- C18 H17 Br N P -","- C72 H68 Br4 N4 P4 -","4","1","SH1034","Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.","Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate","Acta Crystallographica Section C","1993","49","7","1280","1283","10.1107/S0108270192013180","","","0.71073","MoKα","","0.0327","","","0.0598","","","","","1.102","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001500","14.394","0.001","16.712","0.001","20.177","0.002","90","","90.44","0.01","90","","4853.5","0.7","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aminotriphenylphosphonium hexachloroantimonate","","- C18 H17 Cl6 N P Sb -","- C18 H17 Cl6 N P Sb -","- C144 H136 Cl48 N8 P8 Sb8 -","8","2","SH1034","Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.","Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate","Acta Crystallographica Section C","1993","49","7","1280","1283","10.1107/S0108270192013180","","","0.71073","MoKα","","0.0392","","","0.0667","","","","","1.049","1.079","1.079","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001501","17.573","0.002","17.573","0.002","17.573","0.002","90","","90","","90","","5426.7","1.1","153","2","153","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","SH1040","Pauer, F.; Sheldrick, G. M.","Structure of potassium silanolate at 153 K","Acta Crystallographica Section C","1993","49","7","1283","1284","10.1107/S0108270193001301","","","0.71072","MoKα","","0.0364","0.0227","","0.0716","0.0518","","","","1.084","1.084","1.084","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2001502","19.798","0.002","8.009","0.001","14.524","0.002","90","","94.02","0.01","90","","2297.3","0.5","162","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 N4 Ni O9 -","- C16 H22 N4 Ni O10 -","- C64 H88 N16 Ni4 O40 -","4","1","HA1017","Chinn, P.; Busch, D. H.; Alcock, N. W.","Structure of a phenyl dioxocyclam nickel complex","Acta Crystallographica Section C","1993","49","7","1284","1286","10.1107/S0108270193000228","","","0.71069","MoKα","","","0.052","","","0.079","","","","","1.83","1.83","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001503","7.189","0.001","7.125","0.002","11.034","0.002","103.16","0.02","96.74","0.02","99.41","0.02","535.9","0.2","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 K4 O14 -","- C14 H20 K4 O14 -","- C14 H20 K4 O14 -","1","0.5","ST0593","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates","Acta Crystallographica Section C","1993","49","7","1287","1294","10.1107/S0108270193000411","","","0.71073","MoKᾱ","","","0.034","","","0.043","","","","","1.71","1.71","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001504","7.28","0.001","7.378","0.001","11.179","0.001","102.54","0.01","98.15","0.01","99.51","0.01","568.14","0.13","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 O14 Rb4 -","- C14 H16 O14 Rb4 -","- C14 H16 O14 Rb4 -","1","0.5","ST0593","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates","Acta Crystallographica Section C","1993","49","7","1287","1294","10.1107/S0108270193000411","","","0.71073","MoKᾱ","","","0.032","","","0.033","","","","","1.15","1.15","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001505","7.517","0.001","7.637","0.002","11.355","0.001","101.84","0.03","99.53","0.01","100.4","0.01","613.5","0.2","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Cs4 O14 -","- C14 H16 Cs4 O14 -","- C14 H16 Cs4 O14 -","1","0.5","ST0593","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structures of tetrapotassium, tetrarubidium and tetracaesium 1,4,5,8-naphthalenetetracarboxylate hexahydrates","Acta Crystallographica Section C","1993","49","7","1287","1294","10.1107/S0108270193000411","","","0.71073","MoKᾱ","","","0.029","","","0.039","","","","","1.83","1.83","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001506","11.302","0.002","11.814","0.001","10.457","0.001","97.09","0.02","109.44","0.02","77.89","0.01","1285.2","0.3","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag2 Cu N8 O -","- C24 H16 Ag2 Cu N8 O -","- C48 H32 Ag4 Cu2 N16 O2 -","2","1","KA1014","Černák, J.; Gérard, F.; Chomič, J.","<i>catena</i>-Poly[silver(I)-μ-(cyano-<i>C</i>:<i>N</i>)-<i>cis</i>-bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')copper(II)-μ-(cyano-<i>N</i>:<i>C</i>)] dicyanoargentate(I) monohydrate","Acta Crystallographica Section C","1993","49","7","1294","1296","10.1107/S010827019300037X","","","0.7093","MoKα","","","0.0291","","","0.0387","","","","","1.1911","1.1911","","","","","has coordinates","278245","2022-09-28","14:26:39",""
"2001507","8.088","0.001","7.456","0.002","13.371","0.004","90","","92.83","0.02","90","","805.3","0.3","295","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 O10 Rh2 -","- C10 H20 O10 Rh2 -","- C20 H40 O20 Rh4 -","2","0.5","DU1013","Noinville, V.; Viossat, B.; Dung, Nguyen-Huy","Isotypie entre les structures cristallines des tétrakis(μ-acétato)bis(méthanol) dicuivre(II) et de dirhodium(II)","Acta Crystallographica Section C","1993","49","7","1297","1298","10.1107/S0108270193000022","","","0.7107","MoKα","","","0.035","","","0.031","","","","","1.5","1.5","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001508","8.277","0.001","12.72","0.002","11.887","0.002","90","","91","0.1","90","","1251.3","0.3","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C6 H6 Br2 Cl2 Cu N4 -","- C6 H6 Br2 Cl2 Cu N4 -","- C24 H24 Br8 Cl8 Cu4 N16 -","4","0.5","NA1027","Valle, G.; Sánchez González, A.; Ettorre, R.","Structure of dibromobis(2-chloroimidazole)copper(II)","Acta Crystallographica Section C","1993","49","7","1298","1300","10.1107/S0108270193001209","","","0.7107","MoKα","","","0.074","","","0.076","","","","","0.83","0.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001509","11.244","0.003","12.775","0.002","21.05","0.005","97.26","0.02","103.03","0.02","89.84","0.02","2921.2","1.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H140 As4 Mo12 N10 Na2 O74 -","- C56 H104 As4 Mo12 N10 Na2 O74 -","- C56 H104 As4 Mo12 N10 Na2 O74 -","1","0.5","LI1006","You, X.-Z.; Li, H.-L.; Yu, K.-B.; Li, L.","Hexaaquadisodium hexakis(tetramethylammonium) bis[bis(3-acetylamino-4-hydroxyphenylarsonato)aquaoctadecaoxohexamolybdate] decahydrate: [Na~2~(H~2~O)~6~][(CH~3~)~4~N]~6~[Mo~6~(C~8~H~8~AsNO~5~)~2~O~18~(H~2~O)]~2~.10H~2~O","Acta Crystallographica Section C","1993","49","7","1300","1303","10.1107/S010827019201360X","","","0.71073","Mo","","","0.038","","","0.0397","","","","","1.365","1.365","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001510","7.111","0.002","8.042","0.001","8.045","0.002","78.65","0.02","87.02","0.02","70.04","0.02","423.92","0.18","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H13 Cl6 N4 Nb -","- C8 H14 Cl6 N4 Nb -","- C8 H14 Cl6 N4 Nb -","1","0.5","CD1013","Therrien, B.; Beauchamp, A. L.","Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations","Acta Crystallographica Section C","1993","49","7","1303","1307","10.1107/S0108270192012952","","","0.71069","MoKᾱ","","","0.056","","","0.057","","","","","2.69","2.69","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001511","21.43","0.01","6.851","0.002","17.65","0.01","90","","99.41","0.02","90","","2556","2","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 H7 Cl6 N2 Nb -","- C4 H7 Cl6 N2 Nb -","- C32 H56 Cl48 N16 Nb8 -","8","1","CD1013","Therrien, B.; Beauchamp, A. L.","Structures of hexachloroniobate(V) salts of the 1-methylimidazole/1-methylimidazolium and 2-methylimidazolium cations","Acta Crystallographica Section C","1993","49","7","1303","1307","10.1107/S0108270192012952","","","0.71069","MoKᾱ","","","0.03","","","0.038","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001512","14.581","0.009","14.62","0.01","16.88","0.01","102.4","0.02","105.45","0.02","113.53","0.02","2963","3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 As2 N6 Se6 Sn -","- C60 As2 N6 Se6 Sn -","- C120 As4 N12 Se12 Sn2 -","2","1","SH1016","Gruss, D.; Hummel, H.-U.","Structure of [As(C~6~H~5~)~4~]~2~[Sn{Se~2~C=C(CN)~2~}~3~]","Acta Crystallographica Section C","1993","49","7","1307","1309","10.1107/S0108270192012812","","","0.7099","MoKα","","","0.062","","","0.055","","","","","1.712","1.712","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001513","12.24","0.002","12.642","0.002","14.039","0.002","103.86","0.01","104.16","0.01","90.62","0.01","2039.5","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","Bis[(trimethylsilylmethoxy)bis(trimethylsilylmethyl)gallium]","","- C24 H66 Ga2 O2 Si6 -","- C24 H66 Ga2 O2 Si6 -","- C48 H132 Ga4 O4 Si12 -","2","1","HL1019","Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M.","Structure of bis-μ-[(trimethylsilylmethanolato-<i>O</i>)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-<i>O</i>)-bis(trimethylsilylmethyl)indium]","Acta Crystallographica Section C","1993","49","7","1309","1311","10.1107/S0108270192013337","","","0.71073","MoKα","","0.0744","0.0441","","0.1015","0.0822","","","","1.109","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001514","9.887","0.004","11.879","0.004","17.586","0.006","104.4","0.02","93.43","0.03","94.66","0.02","1987.1","1.3","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","Bis((trimethylsiloxy)bis(trimethylsilylmethyl)indium)","","- C22 H62 In2 O2 Si6 -","- C22 H62 In2 O2 Si6 -","- C44 H124 In4 O4 Si12 -","2","1","HL1019","Dembowski, U.; Pape, T.; Herbst-Irmer, R.; Pohl, E.; Roesky, H. W.; Sheldrick, G. M.","Structure of bis-μ-[(trimethylsilylmethanolato-<i>O</i>)-bis(trimethylsilylmethyl)gallium] and bis-μ-[(trimethylsilylmethanolato-<i>O</i>)-bis(trimethylsilylmethyl)indium]","Acta Crystallographica Section C","1993","49","7","1309","1311","10.1107/S0108270192013337","","","0.71073","MoKα","","0.0356","0.026","","0.0627","0.0543","","","","1.069","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001515","11.841","0.006","7.85","0.006","11.586","0.006","90","","96.028","0.019","90","","1071","1.1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H14 Cu O4 S4 -","- C30 H20 Cu O4 S6 -","- C60 H40 Cu2 O8 S12 -","2","0.5","HU1005","Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A.","Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section C","1993","49","7","1311","1315","10.1107/S0108270192012691","","","0.71073","MoKα","","","0.0398","","","0.0668","","","","","0.659","0.659","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001516","11.892","0.004","7.943","0.004","11.582","0.003","90","","98.02","0.03","90","","1083.3","0.7","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H14 O4 Pd S4 -","- C30 H20 O4 Pd S6 -","- C60 H40 O8 Pd2 S12 -","2","0.5","HU1005","Baxter, L. A. M.; Blake, A. J.; Gould, R. O.; Heath, G. A.; Stephenson, T. A.","Cu^II^ and Pd^II^ complexes of 3-hydroxy-1,3-bis(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section C","1993","49","7","1311","1315","10.1107/S0108270192012691","","","0.71073","MoKα","","","0.03","","","0.0434","","","","","1.207","1.207","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001517","9.752","0.002","11.68","0.002","9.203","0.002","92.43","0.02","115.3","0.01","110.13","0.01","867.4","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 O5 P2 Pt -","- C12 H24 O5 P2 Pt -","- C24 H48 O10 P4 Pt2 -","2","1","AS1035","Suzuki, Y.; Miyamoto, T. K.; Ichida, H.","(1,1-Cyclobutanedicarboxylato-<i>O</i>,<i>O</i>')bis(trimethylphosphine-<i>P</i>)platinum(II) monohydrate","Acta Crystallographica Section C","1993","49","7","1315","1317","10.1107/S0108270192013489","","","0.71069","MoKα","","","0.041","","","0.044","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001518","16.662","0.002","12.99","0.002","12.226","0.002","90","","90","","90","","2646.2","0.7","297","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 O4 P2 Pt -","- C8 H18 O4 P2 Pt -","- C64 H144 O32 P16 Pt8 -","8","1","AS1038","Suzuki, Y.; Miyamoto, T. K.; Ichida, H.","(Oxalato-<i>O</i>,<i>O</i>')bis(trimethylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","7","1317","1318","10.1107/S0108270192013490","","","0.71069","MoKα","","","0.04","","","0.044","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001519","8.514","0.001","14.76","0.001","11.36","0.002","90","","98.79","0.01","90","","1410.8","0.3","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O6 P2 Pt -","- C6 H18 N2 O6 P2 Pt -","- C24 H72 N8 O24 P8 Pt4 -","4","1","AS1039","Suzuki, Y.; Miyamoto, T. K.; Ichida, H.","[<i>SP</i>-4-2]-Dinitratobis(trimethylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","7","1318","1320","10.1107/S0108270192013507","","","0.71069","MoKα","","","0.044","","","0.045","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001520","25.008","0.004","14.045","0.002","17.378","0.003","90","","112.39","0.01","90","","5643.7","1.6","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","iucr: bis-μ-(2-{[(diphenylphosphino)propyl](phenyl)phosphino}phenyl)- 1κC^1^:2κ^2^P,P';1κ^2^P,P':2κC^1^-μ-hydroxo-diplatinum(II) tetrafluoroborate bis(dichloromethane) solvate author: μHydroxy-bis(1-(diphenylphosphino)-3-(μ-ortho-phenyl, phenylphosphino)propane platinum(II)) tetrafluoroborate disolvate (solvent=dichloromethane).","","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C224 H220 B4 Cl16 F16 O4 P16 Pt8 -","4","1","CD1032","Bennett, M. A.; Berry, D. E.; Beveridge, K. A.; Browning, J.; Russow, M. P.","μ-Hydroxo diplatinum(II) complex containing bridging cyclometallated 1,3-bis(diphenylphosphino)propane as the tetrafluoroborate salt","Acta Crystallographica Section C","1993","49","7","1320","1322","10.1107/S0108270193000010","","","0.71069","MoKα","","","0.0597","","","0.0619","","","","","1.8532","1.8532","","","","","has coordinates","202202","2020-10-21","18:00:00",""
"2001521","9.71","0.002","9.71","0.002","25.746","0.006","90","","90","","120","","2102.2","0.8","295","2","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C20 Co6 O18 -","- C20 Co6 O18 -","- C60 Co18 O54 -","3","0.5","HH1034","Geiser, U.; Kini, A. M.","Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~","Acta Crystallographica Section C","1993","49","7","1322","1324","10.1107/S010827019300085X","","","0.7107","MoKα","","","0.025","","","0.023","","","","","0.948","0.948","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001522","8.4008","0.0007","18.178","0.002","15.164","0.002","90","","93.803","0.007","90","","2310.6","0.4","297","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 Ni P2 S2 -","- C20 H24 N2 Ni P2 S2 -","- C80 H96 N8 Ni4 P8 S8 -","4","1","AB1033","Juma, B.; Fronczek, F. R.; Stanley, G. G.","Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes","Acta Crystallographica Section C","1993","49","7","1325","1328","10.1107/S0108270193000770","","","1.54184","CuKα","","","0.039","","","0.05","","","","","2.154","2.154","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001523","7.602","0.002","20.599","0.002","20.712","0.004","90","","97.98","0.02","90","","3212","1.1","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N2 Ni P3 S2 -","- C32 H33 N2 Ni P3 S2 -","- C128 H132 N8 Ni4 P12 S8 -","4","1","AB1033","Juma, B.; Fronczek, F. R.; Stanley, G. G.","Structures of nickel(II) bis- and trisphosphine diisothiocyanate complexes","Acta Crystallographica Section C","1993","49","7","1325","1328","10.1107/S0108270193000770","","","1.54184","CuKα","","","0.081","","","0.089","","","","","3.23","3.23","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001524","10.809","0.003","10.947","0.006","10.955","0.004","108.02","0.04","93.66","0.03","118.44","0.03","1048.8","0.9","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 I2 N2 S4 Te -","- C12 I2 N2 S4 Te -","- C24 I4 N4 S8 Te2 -","2","1","AB1024","Kumar, R. K.; Aravamudan, G.; Udupa, M. R.; Seshasayee, M.; Hamor, T. A.","Structure of bis(diethyldithiocarbamato)diiodotellurium(IV)","Acta Crystallographica Section C","1993","49","7","1328","1330","10.1107/S0108270192012745","","","0.71069","MoKα","","","0.042","","","0.051","","","","","0.995","0.995","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001525","8.115","0.001","13.998","0.001","13.919","0.001","90","","104.19","0.007","90","","1532.9","0.2","294","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Au Cl N4 O2 -","- C12 H18 Au Cl N4 O3 -","- C48 H72 Au4 Cl4 N16 O12 -","4","1","BR1023","Lock, C. J. L.; Wang, Z.","Bis(4-hydroxymethyl-1,5-dimethylimidazole-<i>N</i>^3^)gold(I) chloride","Acta Crystallographica Section C","1993","49","7","1330","1333","10.1107/S0108270193000848","","","0.71073","MoKα","","","0.044","","","0.033","","","","","1.81","1.81","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001526","10.574","0.003","11.037","0.003","13.58","0.004","86.96","0.02","76.7","0.02","78.32","0.02","1510.4","0.8","294","1","","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 F6 N O P2 Ru -","- C29 H29 F6 N O P2 Ru -","- C58 H58 F12 N2 O2 P4 Ru2 -","2","1","HE1004","Simpson, S. J.","(<i>tert</i>-Butyl isocyano-<i>C</i>)(carbonyl)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)ruthenium(II) hexafluorophosphate","Acta Crystallographica Section C","1993","49","7","1333","1335","10.1107/S0108270193000733","","","0.71073","MoKα","","","0.0436","","","0.0604","","","","","2.12","2.12","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001527","14.073","0.001","14.073","0.001","14.073","0.001","90","","90","","90","","2787.1","0.3","293","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","","","","","- C3 H12 F6 Ga N9 -","- C3 H18 F6 Ga N9 -","- C24 H144 F48 Ga8 N72 -","8","0.333333","KA1015","Małuszyńska, H.","Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~","Acta Crystallographica Section C","1993","49","7","1335","1336","10.1107/S0108270193000368","","","1.54178","CuKα","","","0.034","","","0.045","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001528","8.647","0.006","6.627","0.002","12.118","0.003","90","","101.58","0.01","90","","680.3","0.5","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 K2 Ni O14 -","- C4 H12 K2 Ni O14 -","- C8 H24 K4 Ni2 O28 -","2","0.5","AB1046","Román, P.; Guzmán-Miralles, C.; Luque, A.","Structure of dipotassium <i>trans</i>-diaquabis(oxalato-<i>O</i>,<i>O</i>')nickelate(II)–water (1/4)","Acta Crystallographica Section C","1993","49","7","1336","1339","10.1107/S0108270193000940","","","0.71069","MoKα","","","0.027","","","0.03","","","","","0.69","0.69","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001529","12.053","0.004","18.453","0.006","29.259","0.01","90","","90","","90","","6508","4","295","","","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C54.5 H14 Br8 Cl6 F20 N4 O2.5 Zn -","- C64 Br8 Cl12 F20 N4 O2 Zn -","- C256 Br32 Cl48 F80 N16 O8 Zn4 -","4","0.5","HH1024","Marsh, R. E.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.","A highly solvated zinc(II) tetrakis(pentafluorophenyl)-β-octabromoporphyrin","Acta Crystallographica Section C","1993","49","7","1339","1342","10.1107/S0108270193000642","","","0.71073","MoKα","","","0.066","","","","","","","","1.74","1.74","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001530","11.794","0.005","14.492","0.004","14.731","0.002","87.51","0.05","73.48","0.05","78.4","0.03","2364.3","1.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H2 Cl10 Cu F20 N4 -","- C45 H2 Cl10 Cu F20 N4 -","- C90 H4 Cl20 Cu2 F40 N8 -","2","1","HH1022","Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.; Wagner, R. W.","Copper(II) tetrakis(pentafluorophenyl)-β-octachloroporphyrin","Acta Crystallographica Section C","1993","49","7","1342","1345","10.1107/S0108270193000587","","","0.71073","MoKα","","","0.052","","","0.014","","","","","3.75","3.75","","","","","has coordinates","202204","2020-10-21","18:00:00",""
"2001531","11.009","0.005","10.236","0.006","27.627","0.012","90","","97.02","0.04","90","","3090","3","195","1","195","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trimeric bis(cyclopentadienyl)oxozirconium(IV) benzene solvate","","- C36 H36 O3 Zr3 -","- C36 H36 O3 Zr3 -","- C144 H144 O12 Zr12 -","4","1","HU1023","Mikhailova, O. A.; Minacheva, M. H.; Burlakov, V. V.; Shur, V. B.; Pisarevsky, A. P.; Yanovsky, A. I.; Struchkov, Yu. T.","Trimeric bis(cyclopentadienyl)oxozirconium(IV) benzene solvate","Acta Crystallographica Section C","1993","49","7","1345","1347","10.1107/S0108270192013349","","","0.71073","MoKα","","0.0884","0.0438","","0.1677","0.0926","","","","1.056","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001532","19.347","0.009","25.289","0.007","9.698","0.003","100.6","0.02","96.02","0.03","76.01","0.03","4517","3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Co Ni S10 -","- C16 H10 Co Ni S10 -","- C128 H80 Co8 Ni8 S80 -","8","4","LI1014","Fang, Q.; You, X.-Z.; Cai, J.-H.; He, M.-Y.","Cobaltocenium bis[(4,5-dimercapto-<i>S</i>^4^,<i>S</i>^5^)-1,3-dithiole-2-thionato]nickelate","Acta Crystallographica Section C","1993","49","7","1347","1350","10.1107/S0108270193000332","","","0.71069","MoKα","","","0.047","","","0.062","","","","","1.32","1.32","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001533","18.049","0.006","17.661","0.008","23.475","0.01","90","","92.1","0.03","90","","7478","5","290","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H36.5 Mo O3 P3 -","- C40.5 H33 Mo O3 P3 -","- C324 H264 Mo8 O24 P24 -","8","2","LI1041","Willey, G. R.; Butcher, M. L.; Lakin, M. T.; Downs, G. W.","Structure of tricarbonyltris(diphenylphosphine)molybdenum(0) hexane solvate: <i>fac</i>-[Mo(CO)~3~(PPh~2~H)~3~] ^.^ 0.25C~6~H~14~","Acta Crystallographica Section C","1993","49","7","1350","1352","10.1107/S0108270193000289","","","0.71069","MoKα","","","0.062","","","0.066","","","","","1.1159","1.1159","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001534","18.731","0.004","7.789","0.002","10.371","0.002","90","","96.32","0.02","90","","1503.9","0.6","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-1-Ferrocenyl-2-(2-nitrophenyl)ethylene","","- C18 H15 Fe N O2 -","- C18 H15 Fe N O2 -","- C72 H60 Fe4 N4 O8 -","4","1","VS1004","Todres, Z. V.; Yanovsky, A. I.; Ermekov, D. S.; Struchkov, Yu. T.","<i>cis</i>-1-Ferrocenyl-2-(2-nitrophenyl)ethylene","Acta Crystallographica Section C","1993","49","7","1352","1354","10.1107/S0108270192013386","","","0.71073","MoKα","","0.086","0.0657","","0.1597","0.1399","","","","1.194","1.233","1.233","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001535","12.353","0.004","6.334","0.001","10.044","0.002","90","","111.75","0.02","90","","729.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(2S,4R)-γ-hydroxynorvalinato-(2R,4S)-γ-hydroxynorvalinato]copper(II)","","- C10 H20 Cu N2 O6 -","- C10 H20 Cu N2 O6 -","- C20 H40 Cu2 N4 O12 -","2","0.5","KA1023","Deljac, A.; Kaitner, B.; Kirin, S. I.; Meštrović, E.","Structure of [(2<i>S</i>,4<i>R</i>)-γ-hydroxynorvalinato][(2<i>R</i>,4<i>S</i>)-γ-hydroxynorvalinato]copper(II)","Acta Crystallographica Section C","1993","49","7","1354","1357","10.1107/S0108270193000381","","","0.7093","MoKα","","","0.032","","","0.046","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001536","11.182","0.001","17.816","0.001","12.137","0.001","90","","97.437","0.001","90","","2397.6","0.3","223","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Co N2 O4 -","- C26 H34 Co N2 O4 -","- C104 H136 Co4 N8 O16 -","4","1","SH1013","Hiller, W.; Nishinaga, A.; Tsutsui, T.; Rieker, A.","Structure of [di-<i>tert</i>-butyl(dimethoxy)salen]cobalt(II)","Acta Crystallographica Section C","1993","49","7","1357","1359","10.1107/S010827019300109X","","","1.54056","CuKα","","","0.039","","","0.043","","","","","1.48","1.48","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001537","9.023","0.003","11.74","0.003","11.861","0.003","107.78","0.02","107.83","0.02","107.74","0.02","1023.2","0.6","290","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Ga N4 -","- C23 H25 Ga N4 -","- C46 H50 Ga2 N8 -","2","1","HU1029","Alcock, N. W.; Blacker, N. C.; Errington, W.; Wallbridge, M. G. H.","Structure of the monomethylgallium derivative of TMTAA (dibenzotetramethyltetraaza[14]annulene)","Acta Crystallographica Section C","1993","49","7","1359","1361","10.1107/S0108270193000484","","","0.71073","MoKα","","","0.053","","","0.06","","","","","0.84","0.84","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001538","11.7","0.001","10.878","0.001","12.892","0.001","90","","90","","90","","1640.8","0.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C11 H24 Cl2 Cr N5 S -","- C11 H24 Cl2 Cr N5 S -","- C44 H96 Cl8 Cr4 N20 S4 -","4","0.5","LI1031","Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M.","Structures of chromium(III) cyclam complexes. 5. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate","Acta Crystallographica Section C","1993","49","7","1361","1363","10.1107/S010827019300054X","","","0.71069","MoKα","","","0.036","","","0.036","","","","","","","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2001540","15.106","0.007","13.57","0.005","7.386","0.003","101.55","0.02","94.18","0.02","92.49","0.02","1476.8","1.1","303","","303","","","","","","","","","6","P 1","P 1","1","","(N,N'-o-Phenylenedisalicylideneaminato)iron(III)chloride","","- C20 H14 Cl Fe N2 O2 -","- C20 H14 Cl Fe N2 O2 -","- C60 H42 Cl3 Fe3 N6 O6 -","3","3","SH1030","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","Structure of [<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(salicylideneaminato)]iron(III) chloride as a five-coordinate monomer","Acta Crystallographica Section C","1993","49","7","1365","1367","10.1107/S0108270193000617","","","0.71069","MoKα","","","0.0484","","","0.0466","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001541","9.775","0.002","30.857","0.01","9.698","0.002","90","","90","","90","","2925.2","1.3","128","5","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 Co6 O19 -","- C21 Co6 O19 -","- C84 Co24 O76 -","4","1","HL1020","Worth, G. H.; Robinson, B. H.; Simpson, J.","Redetermination of the structure of μ~6~-acetonato-1:2:3κ^3^<i>C</i>^1^;4:5:6κ^3^<i>C</i>^3^-bis[nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-tricobalt(3 <i>Co</i>‒<i>Co</i>)] at 128 K","Acta Crystallographica Section C","1993","49","7","1367","1369","10.1107/S0108270193000526","","","0.71069","Mo","","","0.0316","","","0.047","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001542","6.975","0.002","7.482","0.003","19.122","0.007","90","","90","","90","","997.9","0.6","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl N3 O3 Pt -","- C5 H11 Cl N3 O3 Pt -","- C20 H44 Cl4 N12 O12 Pt4 -","4","1","DU1027","Viossat, B.; Khodadad, P.; Rodier, N.","Diamminechloro(5-oxoprolinato)platine(II)","Acta Crystallographica Section C","1993","49","7","1370","1372","10.1107/S0108270193000046","","","0.7107","MoKᾱ","","","0.027","","","0.037","","","","","1.48","1.48","","","","","has coordinates","187340","2020-10-21","18:00:00",""
"2001543","12.151","0.002","12.151","0.002","6.545","0.001","90","","90","","90","","966.3","0.3","293","1","293","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","Tetraphenyllead","","- C24 H20 Pb -","- C24 H20 Pb -","- C48 H40 Pb2 -","2","0.25","AL1039","Preut, H.; Huber, F.","Redetermination of tetraphenyllead","Acta Crystallographica Section C","1993","49","7","1372","1373","10.1107/S0108270193001878","","","0.71073","MoKα","","0.0347","0.0301","","0.0505","0.0412","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001544","7.9122","0.0008","13.788","0.002","19.15","0.004","90","","90","","90","","2089.1","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","NA1024","Puliti, R.; Fontana, A.; Cimino, G.; Mattia, C. A.; Mazzarella, L.","Structure of a keto derivative of 9,11-dihydrogracilin A","Acta Crystallographica Section C","1993","49","7","1373","1376","10.1107/S0108270193001003","","","1.54056","CuKα","","","0.05","","","0.049","","","","","0.22","0.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001545","7.0711","0.0004","15.09","0.001","11.1925","0.0006","90","","106.916","0.004","90","","1142.6","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3,5-dinitrobenzoic acid)(benzo-15-crown-5)monohydrate","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","HA1021","Schouten, A.; Kanters, J. A.; Poonia, N. S.","Structure of the benzo-15-crown-5‒3,5-dinitrobenzoic acid‒water (1/1/1) complex","Acta Crystallographica Section C","1993","49","7","1376","1378","10.1107/S010827019201357X","","","0.71073","MoKα","","","0.0332","","","0.0297","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001546","12.462","0.003","8.035","0.003","13.539","0.004","90","","112.89","0.03","90","","1248.9","0.7","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","AL1030","Freer, A. A.; Bunyan, J. M.; Shankland, N.; Sheen, D. B.","Structure of (<i>S</i>)-(+)-ibuprofen","Acta Crystallographica Section C","1993","49","7","1378","1380","10.1107/S0108270193000629","","","0.71069","MoKα","","","0.056","","","0.067","","","","","3.09","3.09","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001547","11.915","0.001","19.228","0.003","8.05","0.001","90","","99.1","0.01","90","","1821.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4b,6a-bis(acetyloxy)-4b,6a,10b,10c-tetrahydrobenzo[3,4]-cyclo-buta[1,2a] biphenylene","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","HA1033","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mouaddib, A.; Caubère, P.","Synthesis and structure of new families of potential antitumor or antiviral agents. I. 4b,6a,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-<i>a</i>]biphenylene-4b,6a-diyl diacetate","Acta Crystallographica Section C","1993","49","7","1380","1384","10.1107/S0108270193000265","","","1.54178","X-rayCu-Kαmean","","0.0506","0.0459","","0.1413","0.1266","","","","1.058","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001548","14.434","0.006","9.637","0.002","14.398","0.007","90","","96.34","0.02","90","","1990.5","1.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(p-Toluenesulfonyl)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C100 H88 O12 S4 -","4","1","AL1032","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Synthesis and structure of new families of potential antitumor or antiviral agents. II. 1-(<i>p</i>-Toluenesulfonyloxy)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane","Acta Crystallographica Section C","1993","49","7","1384","1388","10.1107/S0108270192012782","","","1.54178","CuKᾱ","","0.1048","0.0655","","0.1849","0.1394","","","","0.864","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001549","8.573","0.001","10.628","0.001","6.544","0.001","90","","105.55","0.01","90","","574.42","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cis,anti,cis-8-methoxytricyclo[6.3.0.0^2,7^]undecan-2,3-diol","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","HA1032","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Synthesis and structure of strained polycyclic cyclobutane-containing derivatives","Acta Crystallographica Section C","1993","49","7","1388","1392","10.1107/S0108270193000319","","","1.54056","CuKα~1~","","0.0667","0.0486","","0.1384","0.1219","","","","0.944","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001550","8.394","0.001","14.26","0.002","12.007","0.001","90","","91.79","0.01","90","","1436.5","0.3","293","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","13-spiro-2'-[1,3]dioxolanetricyclo[6.5.0.0^2,7^]tridec-6-ene","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","HA1032","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Synthesis and structure of strained polycyclic cyclobutane-containing derivatives","Acta Crystallographica Section C","1993","49","7","1388","1392","10.1107/S0108270193000319","","","1.54056","CuKα~1~","","0.1092","0.0603","","0.2305","0.1635","","","","0.883","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001551","15.738","0.007","4.854","0.002","9.944","0.005","90","","96.58","0.02","90","","754.6","0.6","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C8 H8 F N O2 -","- C8 H8 F N O2 -","- C32 H32 F4 N4 O8 -","4","1","HH1019","Burns, J. H.; Hagaman, E. W.","Three monofluorinated small molecules: <i>ortho</i>-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether","Acta Crystallographica Section C","1993","49","7","1393","1396","10.1107/S0108270193000605","","","0.71069","MoKα","","","0.061","","","0.071","","","","","1.95","1.95","","","","","has coordinates","281832","2023-03-13","07:37:27",""
"2001552","7.394","0.004","17.363","0.004","7.288","0.003","90","","116.51","0.02","90","","837.3","0.6","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C9 H7 F O3 -","- C9 H7 F O3 -","- C36 H28 F4 O12 -","4","1","HH1019","Burns, J. H.; Hagaman, E. W.","Three monofluorinated small molecules: <i>ortho</i>-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether","Acta Crystallographica Section C","1993","49","7","1393","1396","10.1107/S0108270193000605","","","0.71069","MoKα","","","0.05","","","0.05","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001553","6.057","0.002","8.968","0.002","29.354","0.005","90","","90","","90","","1594.5","0.7","300","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 F O2 -","- C19 H25 F O2 -","- C76 H100 F4 O8 -","4","1","HH1019","Burns, J. H.; Hagaman, E. W.","Three monofluorinated small molecules: <i>ortho</i>-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether","Acta Crystallographica Section C","1993","49","7","1393","1396","10.1107/S0108270193000605","","","0.71069","MoKα","","","0.033","","","0.043","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001554","12.248","0.002","8.637","0.001","10.934","0.003","90","","92.25","0.01","90","","1155.8","0.4","298","","","","","","","","","","","4","P 1 2/a 1","-P 2yab","","","","","- C14 H13 N O2 -","- C14 H12 N O2 -","- C56 H48 N4 O8 -","4","1","HH1028","Yeap, G.-Y.; Teo, S.-B.; Fun, H.-K.; Teoh, S.-G.","Structure of 4-[(3-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section C","1993","49","7","1396","1398","10.1107/S0108270193000654","","","0.71069","MoKα","","","0.0526","","","0.0566","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001555","17.099","0.005","10.091","0.003","11.386","0.004","90","","92.09","0.03","90","","1963.3","1.1","294","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","","","","","- C20 H20 I2 N2 O -","- C20 H20 I2 N2 O -","- C80 H80 I8 N8 O4 -","4","0.5","AS1030","Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.","Structure of diiodide salts of <i>N</i>-heteroaromatic dications","Acta Crystallographica Section C","1993","49","7","1398","1401","10.1107/S0108270193000393","","","0.71068","MoKα","","","0.035","","","0.039","","","","","1.428","1.428","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2001556","21.867","0.005","6.119","0.001","14.47","0.004","90","","90.52","0.03","90","","1936.1","0.8","294","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","0.5","AS1030","Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.","Structure of diiodide salts of <i>N</i>-heteroaromatic dications","Acta Crystallographica Section C","1993","49","7","1398","1401","10.1107/S0108270193000393","","","0.71068","MoKα","","","0.039","","","0.04","","","","","1.401","1.401","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001557","12.9862","0.0005","6.4062","0.0005","14.0857","0.0012","90","","116.275","0.006","90","","1050.75","0.14","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","HH1038","Garcia, J. G.; Enas, J. D.; Chang, E.; Fronczek, F. R.","Structure of 2-ethyl-2-nitroindan-1,3-dione","Acta Crystallographica Section C","1993","49","7","1401","1402","10.1107/S0108270193000976","","","1.54184","CuKα","","","0.041","","","0.054","","","","","2.565","2.565","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001558","9.609","0.002","5.087","0.001","15.923","0.002","90","","91.74","0.01","90","","778","0.2","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","OH1004","Okabe, N.","Structure of 1-phenylsemicarbazide","Acta Crystallographica Section C","1993","49","7","1402","1404","10.1107/S0108270193000198","","","0.71069","MoKα","","","0.034","","","0.06","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001559","10.701","0.005","8.999","0.004","14.97","0.007","90","","110.56","0.04","90","","1349.8","1.1","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","HA1030","Soriano-García, M.; Iribe, R. V.; Silva, A. L.; Maldonado, L. A.","Structure of 1,4-diethyl-3,5-dimethoxy-1,4-dihydrobenzoic acid","Acta Crystallographica Section C","1993","49","7","1404","1406","10.1107/S0108270193000241","","","1.5418","CuKα","","","0.065","","","0.095","","","","","1.32","1.32","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001560","6.363","0.001","13.536","0.002","25.703","0.004","90","","91.74","0.03","90","","2212.8","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-p-nitrobenzyl 2-(2,2-dimethyl-1-phenylpropylamino)-1-cyclopentene-1-carboxylate","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","PA1038","Chiaroni, A.; Riche, C.; Guingant, A.; d'Angelo, J.","The asymmetric Michael process involving chiral imines: structure of (±)-<i>p</i>-nitrobenzyl 2-(2,2-dimethyl-1-phenylpropylamino)-1-cyclopentene-1-carboxylate","Acta Crystallographica Section C","1993","49","7","1406","1409","10.1107/S0108270193000320","","","1.5418","CuKα","","","0.072","","","0.113","","","","","1.44","1.44","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001561","20.529","0.002","17.075","0.002","11.82","0.001","90","","98.65","0.01","90","","4096.2","0.7","298","","298","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","1,3-acetonebis(triphenylphosphonium)(trifluoromethanesulfonate)","","- C41 H34 F6 O7 P2 S2 -","- C41 H34 F6 O7 P2 S2 -","- C164 H136 F24 O28 P8 S8 -","4","0.5","SH1045","Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.","Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","1993","49","7","1409","1410","10.1107/S0108270193001660","","","0.7093","MoKα~1~","","","0.061","","","0.059","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001562","8.1213","0.0007","17.514","0.003","18.903","0.003","90","0.01","90","0.009","90","0.01","2688.7","0.7","287","","287","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(α-hydroxybenzyl)-methyl-8-azabicyclo[3.2.1]octan-3-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","CD1010","Li, J.; Quail, J. W.; Zheng, G. Z.; Majewski, M.","Structure of 2-(α-hydroxybenzyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section C","1993","49","7","1410","1412","10.1107/S0108270192013581","","","1.5418","CuKα","","0.072","0.048","","0.062","0.059","","","","2.219","2.619","2.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001563","9.718","0.001","9.83","0.001","10.731","0.001","99.26","0.01","105.3","0.01","72.9","0.01","941.2","0.17","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N4 O2 -","- C18 H26 N4 O2 -","- C36 H52 N8 O4 -","2","1","OH1014","Hirayama, N.; Nagahara, Y.; Shimada, J.; Suzuki, F.","Structure of 8-(dicyclopropylmethyl)-1,3-dipropylxanthine","Acta Crystallographica Section C","1993","49","7","1413","1414","10.1107/S0108270193000678","","","1.54184","CuKα","","","0.073","","","0.072","","","","","0.686","0.686","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001564","5.886","0.003","10.566","0.006","6.146","0.003","90","","111.6","0.04","90","","355.4","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B H4 Na O4 -","- B H4 Na O4 -","- B4 H16 Na4 O16 -","4","1","MU1036","Csetenyi, L. J.; Glasser, F. P.; Howie, R. A.","Structure of sodium tetrahydroxyborate","Acta Crystallographica Section C","1993","49","6","1039","1041","10.1107/S0108270193000058","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001565","9.264","0.003","9.264","0.003","35.503","0.012","90","","90","","90","","3046.9","1.7","","","","","","","","","","","","6","P 43","P 43","","","","","- C25 H34 Cu N6 O8 S -","- C25 H28 Cu N7 O11 S -","- C100 H112 Cu4 N28 O44 S4 -","4","1","HU1013","Fritsky, I. O.; Lampeka, R. D.; Kravtsov, V. Kh.; Simonov, Y. A.","Structure of <i>catena</i>-poly[tris(pyridine)copper-μ-{<i>N</i>-(2-hydroxyiminopropionyl)-<small>L</small>-methioninato(1‒)-<i>O</i>'',<i>N</i>':<i>O</i>}] nitrate ethanol solvate","Acta Crystallographica Section C","1993","49","6","1041","1044","10.1107/S0108270192012836","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001566","10.882","0.004","12.127","0.004","12.986","0.004","90","","90","","90","","1713.7","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","1","AL1016","Begley, M. J.; Sowerby, D. B.","Structures of triphenylantimony(V) dibromide and dichloride","Acta Crystallographica Section C","1993","49","6","1044","1046","10.1107/S0108270192011958","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001567","24.179","0.008","10.282","0.003","14.234","0.005","90","","90","","90","","3539","2","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C18 H15 Br2 Sb -","- C18 H15 Br2 Sb -","- C144 H120 Br16 Sb8 -","8","0.5","AL1016","Begley, M. J.; Sowerby, D. B.","Structures of triphenylantimony(V) dibromide and dichloride","Acta Crystallographica Section C","1993","49","6","1044","1046","10.1107/S0108270192011958","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001568","8.416","0.002","15.423","0.005","8.679","0.003","90","","110.08","0.05","90","","1058.1","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cu2 N8 O8 -","- C12 H32 Cu2 N8 O8 -","- C24 H64 Cu4 N16 O16 -","2","0.5","AL0493","Begley, M. J.; Hubberstey, P.; Spittle, P. H.; Walton, P. H.","Structure of tetrakis(μ-acetato-5κ<i>O</i>:κ<i>O</i>')-bis(2-cyano-κ<i>N</i>-guanidine)dicopper(II)","Acta Crystallographica Section C","1993","49","6","1047","1049","10.1107/S0108270192005122","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001569","8.848","0.002","9.375","0.001","11.906","0.002","74.1","0.01","74.36","0.01","83.43","0.01","913.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 Co N8 -","- C16 H12 Cl2 Co N8 -","- C32 H24 Cl4 Co2 N16 -","2","1","NA1021","De Munno, G.; Nicolò, F.; Julve, M.","Structure of bis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')dichlorocobalt(II), [Co(bpm)~2~Cl~2~]","Acta Crystallographica Section C","1993","49","6","1049","1052","10.1107/S0108270192013192","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001570","9.22","0.005","11.493","0.002","12.433","0.003","102.74","0.02","90.82","0.03","93.25","0.03","1282.5","0.8","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cl9 N2 O2 Re6 S17 -","- C26 H22 Cl6 N2 O2 Re6 S20 -","- C26 H22 Cl6 N2 O2 Re6 S20 -","1","0.5","DU1024","Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C.","A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-<i>d</i>]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion","Acta Crystallographica Section C","1993","49","6","1052","1056","10.1107/S0108270193001076","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001571","9.245","0.001","11.576","0.002","12.433","0.002","102.75","0.01","90.72","0.01","93.21","0.01","1295.3","0.3","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H22 Cl9 N2 O2 Re6 S13 Se4 -","- C26 H22 Cl6 N2 O2 Re6 S16 Se4 -","- C26 H22 Cl6 N2 O2 Re6 S16 Se4 -","1","0.5","DU1024","Gabriel, J.-C.; Johannsen, I.; Batail, P.; Coulon, C.","A novel type of two-dimensional pattern of association of mixed-valence dimers in the structures of two cation radical salts of thieno- and selenolo[3,4-<i>d</i>]-1,3-dithiol-2-ylidene and a monovalent hexanuclear chalcohalide rhenium cluster anion","Acta Crystallographica Section C","1993","49","6","1052","1056","10.1107/S0108270193001076","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001572","16.493","0.003","13.691","0.004","21.422","0.008","90","","111.2","0.02","90","","4510","2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H69 B Fe N2 P4 -","- C44 H69 B Fe N2 P4 -","- C176 H276 B4 Fe4 N8 P16 -","4","1","HL1022","Buys, I. E.; Field, L. D.; Hambley, T. W.; McQueen, A. E. D.","Structure of [FeH(N~2~){(H~5~C~2~)~2~PCH~2~CH~2~P(C~2~H~5~)~2~}~2~]BPh~4~","Acta Crystallographica Section C","1993","49","6","1056","1059","10.1107/S0108270193000903","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001573","10.253","0.003","12.765","0.003","13.407","0.003","63.42","0.02","82.38","0.02","80.8","0.02","1545.4","0.7","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 Br2 Hg2 Li2 O8 P4 -","- C30 H34 Br Hg Li O4 P2 -","- C60 H68 Br2 Hg2 Li2 O8 P4 -","2","1","CR1029","Kresinski, R. A.; Fackler, Jnr, J. P.","Structure of diaquadibromobis(tetrahydrofuran)dilithium–tetrakis(methyleneoxydiphenylphosphinato)dimercury(II), [Hg(Br){CH~2~P(O)Ph~2~}~2~Li(H~2~O)(C~4~H~8~O)]~2~","Acta Crystallographica Section C","1993","49","6","1059","1061","10.1107/S0108270193000551","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001574","7.692","0.002","10.565","0.001","15.057","0.003","90","","98.99","0.01","90","","1208.6","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Ir O2 -","- C12 Ir O2 -","- C48 Ir4 O8 -","4","1","HH0570","Chen, J.; Daniels, L. M.; Angelici, R. J.","Structure of dicarbonyl(η^5^-pentamethylcyclopentadienyl)iridium","Acta Crystallographica Section C","1993","49","6","1061","1063","10.1107/S0108270193000630","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001575","12.145","0.002","13.832","0.003","14.624","0.004","90","","90","","90","","2456.7","0.9","","","","","","","","","","","","6","P b n a","-P 2ac 2b","","","","","- C12 H32 Cl3 Cr N6 O12 -","- C6 Cl1.5 Cr0.5 N3 O6 -","- C48 Cl12 Cr4 N24 O48 -","8","1","BR1007","Beveridge, K. A.; Heyd, D.; Kirk, A. D.","Structure of <i>cis</i>-(1,2-ethanediamine)(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","Acta Crystallographica Section C","1993","49","6","1063","1066","10.1107/S0108270193002033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001576","10.871","0.006","21.962","0.01","11.65","0.006","90","","110.11","0.04","90","","2612","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C28 H24 Cl4 Pb -","- C28 H24 Cl4 Pb -","- C112 H96 Cl16 Pb4 -","4","1","SH1031","Fahrenkampf, U.; Schürmann, M.; Huber, F.","Tetrakis(2-chlorobenzyl)lead","Acta Crystallographica Section C","1993","49","6","1066","1068","10.1107/S010827019300157X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001577","37.912","0.003","9.286","0.001","17.482","0.003","90","","90","","90","","6154.6","1.3","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C28 H44 N O Re S4 -","- C28 H44 N O Re S4 -","- C224 H352 N8 O8 Re8 S32 -","8","2","SH1033","Hübener, R.; Abram, U.","Structure of tetrabutylammonium bis[benzene-1,2-dithiolato(2‒)]oxorhenate(V)","Acta Crystallographica Section C","1993","49","6","1068","1070","10.1107/S0108270193001568","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001578","10.3997","0.0014","4.6395","0.0012","18.2211","0.0011","90","","100.994","0.007","90","","863","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","BR1006","Jean-Claude, B. J.; Britten, J. F.; Just, G.","Structure of <i>N</i>-(2-aminophenyl)-<i>N</i>'-methylurea","Acta Crystallographica Section C","1993","49","6","1070","1072","10.1107/S0108270192012290","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001579","11.429","0.001","14.39","0.004","19.459","0.003","70.49","0.02","78.14","0.01","69.69","0.02","2814.4","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 O11 P -","- C27 H32.5 O11 P -","- C108 H130 O44 P4 -","4","2","HA1027","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Structure of tris(2,4,6-trimethoxyphenyl)phosphine oxide hydrate","Acta Crystallographica Section C","1993","49","6","1072","1075","10.1107/S010827019300023X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001580","18.787","0.007","43.46","0.02","5.828","0.002","90","","90","","90","","4758","3","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C14 H12 O S -","- C14 H12 O S -","- C224 H192 O16 S16 -","16","1","CR1026","Li, Z.; Su, G.","Thiophene chalcone","Acta Crystallographica Section C","1993","49","6","1075","1077","10.1107/S0108270192013441","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001581","6.133","0.001","8.834","0.002","20.653","0.003","90","","90","","90","","1119","0.4","","","","","","","","","","","","5","P b c 21","P 2c -2b","","","","","- C9 H10 Cl2 N2 O2 -","- C9 H10 Cl2 N2 O2 -","- C36 H40 Cl8 N8 O8 -","4","1","DU1020","Cadiergue, H.; Pèpe, G.; Astier, J. P.; Boistelle, R.; Fiard, J. F.","Structure of linuron, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea","Acta Crystallographica Section C","1993","49","6","1078","1080","10.1107/S0108270192012976","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001582","11.749","0.007","7.083","0.004","28.76","0.02","90","","97.15","0.06","90","","2375","3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 Cl N2 O3 -","- C24 H39 Cl N2 O3 -","- C96 H156 Cl4 N8 O12 -","4","1","KA1006","Kettmann, V.; Sivý, J.; Frešová, E.; Gregáň, F.","Structure of <i>cis</i>-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride","Acta Crystallographica Section C","1993","49","6","1080","1082","10.1107/S0108270192012939","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001583","25.744","0.003","7.889","0.001","7.442","0.001","90","","91.61","0.01","90","","1510.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C34 H20 N6 O12 -","- C34 H20 N6 O12 -","- C68 H40 N12 O24 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001584","20.784","0.002","7.357","0.001","7.524","0.001","90","","97.71","0.01","90","","1140.1","0.2","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 O6 -","- C32 H16 O6 -","- C64 H32 O12 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor–acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001585","19.991","0.004","8.324","0.002","7.821","0.002","90","","105.06","0.02","90","","1256.8","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C36 H18 O6 -","- C36 H18 O6 -","- C72 H36 O12 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001586","11.745","0.004","7.6","0.004","21.929","0.006","90","","118.36","0.04","90","","1722.5","1.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H15 N3 S -","- C20 H15 N3 S -","- C80 H60 N12 S4 -","4","1","HU1022","Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.","Mesoionic compounds. 4. Structure of 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate","Acta Crystallographica Section C","1993","49","6","1092","1094","10.1107/S0108270192012642","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001587","4.691","0.001","14.448","0.002","12.924","0.003","90","","97.63","0.01","90","","868.2","0.3","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N3 O6 -","- C16 H17 N3 O7 -","- C32 H34 N6 O14 -","2","1","HL1026","Gulbis, J. M.; Mackay, M. F.; Holan, G.; Marcuccio, S. M.","Structure of a dideoxynucleoside active against the HIV (AIDS) virus","Acta Crystallographica Section C","1993","49","6","1095","1097","10.1107/S0108270193002094","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001588","8.44","0.001","11.723","0.002","13.016","0.002","67.17","0.01","76.08","0.1","71.4","0.01","1114.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","cis,syn,cis-tricyclo[6.4.0.0^2,7^]-dodecan-2,3,8-triol","","- C12 H20 O3 -","- C12 H20 O3 -","- C48 H80 O12 -","4","2","KA1008","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Structures of some methylenecyclobutanols and transposed derivatives","Acta Crystallographica Section C","1993","49","6","1098","1103","10.1107/S0108270192012927","","","1.54178","X-rayCuKαmean","","","0.0462","","","0.055","","","","","1.5653","1.5653","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001589","11.688","0.002","12.208","0.003","24.328","0.006","90","","90.98","0.01","90","","3470.8","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis,syn,cis-8-methoxy-2,3-dimethyl-sulfonyl-tricyclo[6.3.0.0^2,7^]-undecane","","- C14 H24 O7 S2 -","- C14 H24 O7 S2 -","- C112 H192 O56 S16 -","8","1","KA1008","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Structures of some methylenecyclobutanols and transposed derivatives","Acta Crystallographica Section C","1993","49","6","1098","1103","10.1107/S0108270192012927","","","1.54178","X-rayCuKαmean","","","0.061","","","0.0837","","","","","2.6338","2.6338","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2001590","14.317","0.002","12.02","0.002","6.49","0.001","90","","90","","90","","1116.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cis,syn,cis-1-methoxy-tricyclo[6.3.0.0^2,6^]undecan-7-ol","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","KA1008","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Structures of some methylenecyclobutanols and transposed derivatives","Acta Crystallographica Section C","1993","49","6","1098","1103","10.1107/S0108270192012927","","","1.54178","X-rayCuKαmean","","","0.0412","","","0.0534","","","","","0.6603","0.6603","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001591","18.805","0.002","6.318","0.001","9.988","0.001","90","","112.41","0.01","90","","1097.1","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","AB1039","Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.","Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione","Acta Crystallographica Section C","1993","49","6","1104","1107","10.1107/S010827019300071X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001592","18.551","0.002","6.495","0.001","9.448","0.001","90","","96.521","0.009","90","","1131","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","AB1039","Iversen, B. B.; Møller, E. R.; Krogh, L.; Holm, M. F.; Dynesen, E.; Larsen, F. K.; Hazell, R. G.","Two structures involved in the separation of the enantiomeric pair of 2,2'-spirobi[indan]-1,1'-dione","Acta Crystallographica Section C","1993","49","6","1104","1107","10.1107/S010827019300071X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001593","4.118","0.002","6.274","0.004","34.672","0.002","90","","90.32","","90","","895.8","0.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I O2 -","- C9 H6 I O2 -","- C36 H24 I4 O8 -","4","1","GR1002","Goud, B. S.; Pathaneni, S. S.; Desiraju, G. R.","Structure of 4-iodo-<i>trans</i>-cinnamic acid and a study of carboxyl group disorder","Acta Crystallographica Section C","1993","49","6","1107","1111","10.1107/S0108270192011168","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001594","14.508","0.008","6.095","0.004","9.532","0.005","90","","97.93","0.04","90","","834.8","0.8","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C4 H12 N O3 P S -","- C4 H12 N O3 P S -","- C16 H48 N4 O12 P4 S4 -","4","1","HA0067","Sawka-Dobrowolska, W.; Matczak-Jon, E.; Dembkowski, L.","Structure of 1-amino-3-(methylthio)propylphosphonic acid","Acta Crystallographica Section C","1993","49","6","1111","1113","10.1107/S0108270192003937","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001595","6.593","0.003","6.755","0.002","23.653","0.004","90","","90","","90","","1053.4","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C40 H64 N8 O8 -","4","1","MU1011","Verbruggen, M.; Lenstra, A. T. H.; Reyniers, F.; Borremans, F.","(3<i>R</i>,6<i>R</i>)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione","Acta Crystallographica Section C","1993","49","6","1113","1116","10.1107/S010827019201059X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001596","16.9","0.02","16.9","0.02","33.31","0.03","90","","90","","90","","9514","18","","","","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C51.5 H44 Cl2 Ir2 N4 -","- C55 H40 Cl2 Ir2 N4 -","- C440 H320 Cl16 Ir16 N32 -","8","0.5","CR1031","Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.","Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes","Acta Crystallographica Section C","1993","49","6","1117","1120","10.1107/S0108270193000836","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2001597","15.0144","0.0007","15.0144","0.0007","25.829","0.001","90","","90","","120","","5042.6","0.4","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C36 H30 Ir N3 -","- C18 H15 Ir0.5 N1.5 -","- C108 H90 Ir3 N9 -","6","0.666667","CR1031","Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.","Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes","Acta Crystallographica Section C","1993","49","6","1117","1120","10.1107/S0108270193000836","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205963","2020-10-21","18:00:00",""
"2001598","6.62","0.01","9.99","0.01","10.4","0.01","118.4","0.1","95.3","0.1","102.8","0.1","574.1","1.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cu2 N8 O4 -","- C24 H16 Cu2 N8 O4 -","- C24 H16 Cu2 N8 O4 -","1","0.5","MU1023","Kabešová, M.; Jorík, V.; Dunaj-Jurčo, M.","Structure of bis[(bipyridyl)dicyanatocopper(II)](<i>Cu</i>–<i>Cu</i>)","Acta Crystallographica Section C","1993","49","6","1120","1121","10.1107/S0108270192012903","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001599","13.299","0.004","13.343","0.004","13.051","0.005","106.24","0.03","119.04","0.02","81.41","0.03","1943.7","1.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H60 N2 Ni6 O12 P4 -","- C84 H60 N2 Ni6 O12 P4 -","- C84 H60 N2 Ni6 O12 P4 -","1","0.5","HH1042","Bachman, R. E.; Whitmire, K. H.","Bis[bis(triphenylphosphine)iminium] dodecacarbonylhexanickelate","Acta Crystallographica Section C","1993","49","6","1121","1123","10.1107/S0108270193001830","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001600","9.1267","0.0012","11.955","0.001","8.783","0.001","93.08","0.01","117.7","0.01","85.49","0.01","845.69","0.18","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 O3 S -","- C19 H22 O3 S -","- C38 H44 O6 S2 -","2","1","AS0585","Okada, K.; Koyama, H.","Structure of 17β-acetoxy-18-methyl-1-thia-<i>A</i>-norestra-3,9(10),11-trien-2-one","Acta Crystallographica Section C","1993","49","6","1123","1125","10.1107/S0108270192011077","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001601","17.615","0.001","15.4","0.002","13.786","0.002","90","","90","","90","","3739.7","0.8","","","","","","","","","","","","5","P b c a","","","","","","- C20 H25 Cl N2 O3 -","- C20 H25 Cl N2 O3 -","- C160 H200 Cl8 N16 O24 -","8","1","AS0505","Okamoto, K.; Fujii, S.; Tomita, K.","1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride","Acta Crystallographica Section C","1993","49","6","1125","1127","10.1107/S0108270193001763","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001602","18.479","0.002","9.294","0.001","18.126","0.002","90","","99.41","0.01","90","","3071.1","0.6","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C31 H48 S2 -","- C31 H48 S2 -","- C124 H192 S8 -","4","0.5","SH1011","Hiller, W.; Rundel, W.","Structure of 2,2-bis(3,5-di-<i>tert</i>-butylphenyl)propane-2',2''-dithiol","Acta Crystallographica Section C","1993","49","6","1127","1128","10.1107/S0108270193001088","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001603","10.599","0.002","6.861","0.001","11.889","0.004","90","","100.6","0.2","90","","849.8","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C5 H6 O2 S3 Se -","- C5 H6 O2 S3 Se -","- C20 H24 O8 S12 Se4 -","4","1","NA1018","Molins, E.; Veciana, J.; Miravitlles, C.","Structure of 2-selenoxoperhydro-2<i>H</i>-thieno[3,4-<i>d</i>][1,3]dithiole 5,5-dioxide","Acta Crystallographica Section C","1993","49","6","1129","1130","10.1107/S0108270193001799","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001604","11.631","0.007","9.929","0.002","8.99","0.002","90","","97.63","0.04","90","","1029","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","distrontium nickel orthophosphate","","- Ni O8 P2 Sr2 -","- Ni O8 P2 Sr2 -","- Ni6 O48 P12 Sr12 -","6","1.5","HH1013","Elbali, B.; Boukhari, A.; Holt, E. M.; Aride, J.","Distrontium nickel orthophosphate","Acta Crystallographica Section C","1993","49","6","1131","1133","10.1107/S0108270192012599","","","0.71069","MoKα","","","0.062","","","0.084","","","","","0.42","0.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001605","9.118","0.001","9.118","0.001","3.3035","0.0009","90","","90","","120","","237.85","0.07","295","","","","","","","","","","","2","P 63/m","-P 6c","","","","","- S4 V3 -","- S4 V3 -","- S8 V6 -","2","0.166667","SH1019","Bensch, W.; Koy, J.","Structure of hexagonal V~3~S~4~ determined at three different temperatures","Acta Crystallographica Section C","1993","49","6","1133","1135","10.1107/S0108270192012368","","","0.71073","MoKα","","","0.028","","","0.0233","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001606","9.104","0.002","9.104","0.002","3.2973","0.0008","90","","90","","120","","236.68","0.09","170","","","","","","","","","","","2","P 63/m","-P 6c","","","","","- S4 V3 -","- S4 V3 -","- S8 V6 -","2","0.166667","SH1019","Bensch, W.; Koy, J.","Structure of hexagonal V~3~S~4~ determined at three different temperatures","Acta Crystallographica Section C","1993","49","6","1133","1135","10.1107/S0108270192012368","","","0.71073","MoKα","","","0.0294","","","0.0237","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001607","9.099","0.001","9.099","0.001","3.297","0.0008","90","","90","","120","","236.39","0.07","100","","","","","","","","","","","2","P 63/m","-P 6c","","","","","- S4 V3 -","- S4 V3 -","- S8 V6 -","2","0.166667","SH1019","Bensch, W.; Koy, J.","Structure of hexagonal V~3~S~4~ determined at three different temperatures","Acta Crystallographica Section C","1993","49","6","1133","1135","10.1107/S0108270192012368","","","0.71073","MoKα","","","0.0298","","","0.0213","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001608","21.957","0.005","6.147","0.003","19.925","0.004","90","","122.4","0.01","90","","2270.6","1.3","296","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- I Nb4 Te12 -","- I Nb4 Te12 -","- I4 Nb16 Te48 -","4","0.5","AB1041","Deng, S.; Zhuang, H.; Lu, C.; Huang, Jinshun; Huang, Jingling","A new type of one-dimensional compound: structure of Nb~4~(Te~2~)~4~Te~4~I","Acta Crystallographica Section C","1993","49","6","1135","1137","10.1107/S010827019201285X","","","0.71073","Mo","","","0.052","","","0.062","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001609","9.914","0.003","30.95","0.01","18.145","0.005","90","","95.2139","0.0004","90","","5545","3","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C34 H36 Th -","- C34 H36 Th -","- C272 H288 Th8 -","8","2","MU1017","Spirlet, M. R.; Rebizant, J.; Bettonville, S.; Goffart, J.","Tris[(1,2,3-η)-1-ethylindenyl]methylthorium(IV)","Acta Crystallographica Section C","1993","49","6","1138","1140","10.1107/S0108270192012897","","","0.71069","MoKα","","","0.053","","","0.068","","","","","1.595","1.595","","","","","has coordinates","189071","2020-10-21","18:00:00",""
"2001610","9.025","0.004","10.093","0.004","11.987","0.006","110.6","0.03","94.22","0.04","103.47","0.03","979.3","0.8","197","","296","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[(chlorocopper)‒bis-μ-{1,2-bis(dimethylphosphino)ethane-P:P'}- (chlorocopper)-μ-{1,2-bis(dimethylphosphino)ethane-P:P'}] bis(dichloromethane) solvate","","- C20 H52 Cl6 Cu2 P6 -","- C20 H52 Cl6 Cu2 P6 -","- C20 H52 Cl6 Cu2 P6 -","1","0.5","ST1042","Reibenspies, J. H.; Darensbourg, D. J.; Longridge, E. M.","Structure of [Cu~2~(dmpe)~3~Cl~2~]~<i>n~</i>.2CH~2~Cl~2~","Acta Crystallographica Section C","1993","49","6","1140","1142","10.1107/S0108270192013015","","","0.71073","MoKα","","0.1114","0.0614","","0.0789","0.0662","","","","","1.9137","1.9137","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001611","8.971","0.001","22.501","0.003","17.191","0.003","90","","102.97","","90","","3381.6","0.8","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C30 H15 Au O12 P Rh3 Ru -","- C30 H15 Au O12 P Rh3 Ru -","- C120 H60 Au4 O48 P4 Rh12 Ru4 -","4","1","AB1029","Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.","Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)","Acta Crystallographica Section C","1993","49","6","1142","1146","10.1107/S0108270192012575","","","0.71073","MoKα","","","0.027","","","0.027","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001612","20.647","0.003","20.647","0.003","20.647","0.003","90","","90","","90","","8802","2","293","","","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C36 H15 Au O18 P Rh3 Ru3 -","- C36 H15 Au O18 P Rh3 Ru2.5 -","- C288 H120 Au8 O144 P8 Rh24 Ru20 -","8","0.333333","AB1029","Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.","Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)","Acta Crystallographica Section C","1993","49","6","1142","1146","10.1107/S0108270192012575","","","0.71073","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","206079","2020-10-21","18:00:00",""
"2001613","12.158","0.002","12.689","0.002","13.822","0.001","86.67","0.01","65.15","0.01","78.65","0.01","1896.4","0.5","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl3 O6 P2 Rh -","- C38 H34 Cl3 O6 P2 Rh -","- C76 H68 Cl6 O12 P4 Rh2 -","2","1","HU1027","Cross, R. J.; Kennedy, A. R.; Manojlović-Muir, L.; Muir, K. W.","Structure of <i>trans</i>-[Rh(PPh~3~)~2~(CO)(OH~2~)][ClO~4~].CH~2~Cl~2~","Acta Crystallographica Section C","1993","49","6","1146","1148","10.1107/S0108270192012666","","","0.71069","MoKα","","","0.0481","","","0.0617","","","","","2.91","2.91","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001614","14.904","0.005","23.169","0.007","9.262","0.003","90","","90","","90","","3198.3","1.8","178","","","","","","","","","","","6","P 1 1 2","P 2","3","","","","- C72 H60 Ag2 N2 O6 P4 -","- C36 H30 Ag N O3 P2 -","- C72 H60 Ag2 N2 O6 P4 -","2","1","HA1025","Jones, P. G.","Di-μ-nitrato-bis[bis(triphenylphosphine)silver(I)], [(Ph~3~P)~2~AgNO~3~]~2~, at 178 K","Acta Crystallographica Section C","1993","49","6","1148","1150","10.1107/S0108270192012484","","","0.71069","MoKα","","","0.04","","","0.035","","","","","1.1","1.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001615","7.2425","0.0006","8.676","0.001","10.592","0.001","90","","90","","90","","665.56","0.11","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H7 Na O7 -","- C4 H7 Na O7 -","- C16 H28 Na4 O28 -","4","1","HL1015","Bott, R. C.; Sagatys, D. S.; Lynch, D. E.; Smith, G.; Kennard, C. H. L.","Structure of sodium hydrogen (+)-tartrate monohydrate","Acta Crystallographica Section C","1993","49","6","1150","1152","10.1107/S0108270192012605","","","0.71073","MoKα","","","0.021","","","0.024","","","","","0.94","0.94","","","","","has coordinates","213984","2020-10-21","18:00:00",""
"2001616","14.953","0.001","12.428","0.001","14.228","0.001","90","","91.778","0.007","90","","2642.8","0.3","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C22 H28 Cl2 N4 O8 Pt -","- C22 H28 Cl2 N4 O8 Pt -","- C88 H112 Cl8 N16 O32 Pt4 -","4","0.5","ST1033","Sommerer, S. O.; Abboud, K. A.","Structure of di-2-pyridyl ketone-hydrate platinum(II) chloride tetrahydrate","Acta Crystallographica Section C","1993","49","6","1152","1154","10.1107/S0108270192012496","","","0.71073","MoKα","","","0.035","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001617","9.17","0.002","4.83","0.001","22.584","0.009","90","","90.74","0.02","90","","1000.2","0.5","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Ge2 O7 -","- C6 H10 Ge2 O7 -","- C24 H40 Ge8 O28 -","4","0.5","AS1022","Xie, Z.-X.; Hu, S.-Z.; Chen, Z.-H.; Li, S.-A.; Shi, W.-P.","Redetermination of the structure of polymeric carboxyethylgermanium sesquioxide","Acta Crystallographica Section C","1993","49","6","1154","1156","10.1107/S0108270192012435","","","0.71073","MoKα","","","0.0513","","","0.0606","","","","","5.542","5.542","","","","","has coordinates","198852","2020-10-21","18:00:00",""
"2001618","16.24","0.002","7.272","0.001","7.987","0.002","90","","116.44","0.01","90","","844.6","0.3","296","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C3 H7 Cd Cl2 N O2 -","- C3 Cd Cl2 N O2 -","- C12 Cd4 Cl8 N4 O8 -","4","1","ST1025","Schaffers, K. I.; Keszler, D. A.","Structure of CdCl~2~.C~3~H~7~NO~2~","Acta Crystallographica Section C","1993","49","6","1156","1158","10.1107/S0108270192011570","","","0.71069","MoKα","","","0.063","","","0.088","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001619","13.63","0.006","11.775","0.002","16.316","0.008","90","","108.26","0.03","90","","2486.7","1.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C44 H54 Cl5 Mn N8 O9 -","- C44 H36 Cl6 Mn N8 O8 -","- C88 H72 Cl12 Mn2 N16 O16 -","2","0.5","HE1001","Prince, S.; Körber, F.; Cooke, P. R.; Lindsay Smith, J. R.; Mazid, M. A.","Structure of monomeric hydrated manganese(III) tetra(4-<i>N</i>-methylpyridyl)porphyrin pentachloride","Acta Crystallographica Section C","1993","49","6","1158","1160","10.1107/S0108270193000447","","","0.71069","MoKα","","","0.047","","","0.053","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001620","11.624","0.001","17.244","0.002","18.877","0.001","79.884","0.008","84.812","0.006","75.398","0.009","3600.4","0.6","130","","130","","","","","","","","","5","P -1","-P 1","2","","(2,4-Pentanedionato-O,O')bis(phenyl 3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl phosphite-P)rhodium","","- C87 H113 O8 P2 Rh -","- C80 H105 O8 P2 Rh -","- C160 H210 O16 P4 Rh2 -","2","1","AB1032","Meetsma, A.; Jongsma, T.; Challa, G.; van Leeuwen, P. W. N. M.","Structure of (2,4-pentanedionato-<i>O</i>,<i>O</i>')bis(phenyl 3,3',5,5'-tetra-<i>tert</i>-butyl-1,1'-biphenyl-2,2'-diyl phosphite-<i>P</i>)rhodium","Acta Crystallographica Section C","1993","49","6","1160","1163","10.1107/S0108270192013246","","","0.71073","MoKα","","","0.042","","0.046","0.046","","","","","1.842","1.842","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2001621","8.552","0.001","8.552","0.001","17.064","0.002","90","","90","","120","","1080.8","0.2","293","","293","","","","","","","","","7","P 63 2 2","","","Cobalt(III)sepulchrate perchlorate thiosulphate","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)perchlorate thiosulphate","","- C12 H30 Cl Co N8 O7 S2 -","- C12 H30 Cl Co N8 O14 S3 -","- C24 H60 Cl2 Co2 N16 O28 S6 -","2","0.166667","AL1026","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structures of two cobalt(III) sepulchrate complexes","Acta Crystallographica Section C","1993","49","6","1163","1169","10.1107/S0108270192012265","","","0.7107","MoKα","","","0.0897","","","0.0968","","","","","2.49","2.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001622","15.143","0.003","18.277","0.004","15.191","0.003","90","","109.55","0.02","90","","3962","1.5","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Racemic Cobalt(III)sepulchrate trichloride monohydrate","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)trichloride monohydrate","","- C12 H32 Cl3 Co N8 O -","- C12 H32 Cl3 Co N8 O -","- C96 H256 Cl24 Co8 N64 O8 -","8","2","AL1026","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structures of two cobalt(III) sepulchrate complexes","Acta Crystallographica Section C","1993","49","6","1163","1169","10.1107/S0108270192012265","","","0.7107","MoKα","","","0.0405","","","0.0416","","","","","2.55","2.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001623","18.414","0.002","16.938","0.002","22.577","0.002","90","","96.966","0.007","90","","6989.7","1.3","291","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","","","","","- C75 H70 B2 Cl2 F8 O3 P4 Pd2 -","- C75 H68 B2 Cl2 F8 O3 P4 Pd2 -","- C300 H272 B8 Cl8 F32 O12 P16 Pd8 -","4","0.5","AB1035","Ganguly, S.; Georgiev, E. M.; Mague, J. T.; Roundhill, D. M.","Structure of di-μ-chloro-bis[bis(triphenylphosphine)palladium(II)] bis(tetrafluoroborate) acetone solvate dihydrate","Acta Crystallographica Section C","1993","49","6","1169","1171","10.1107/S0108270192011855","","","0.71073","MoKα","","","0.067","","","0.081","","","","","1.452","1.452","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001624","8.909","0.002","19.847","0.004","7.602","0.002","90","","90.51","0.04","90","","1344.1","0.5","294","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H17 Cl3 Ho N O8 -","- C3 H17 Cl3 Ho N O8 -","- C12 H68 Cl12 Ho4 N4 O32 -","4","2","SH1017","Głowiak, T.; Dao, C. N.","Structure of pentaaqua(<small>L</small>-serine)holmium(III) trichloride","Acta Crystallographica Section C","1993","49","6","1171","1173","10.1107/S0108270192012514","","","0.71069","MoKα","","","0.037","","","0.05","","","","","4.171","4.171","","","","","has coordinates","205896","2020-10-21","18:00:00",""
"2001625","8.402","0.004","14.28","0.01","7.498","0.004","90","","90","","90","","899.6","0.9","150","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C3 H10 Cd Cl2 O2 S -","- C3 H10 Cd Cl2 O2 S -","- C12 H40 Cd4 Cl8 O8 S4 -","4","1","MU1030","Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~<i>n~</i>] and [{CdBr~2~(dmso)(MeOH)}~<i>n~</i>] with coordinated dimethyl sulfoxide and methanol","Acta Crystallographica Section C","1993","49","6","1173","1175","10.1107/S0108270192012150","","","0.71073","MoKα","","","0.0268","","","0.0336","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001626","14.52","0.006","10.692","0.004","14.124","0.005","90","","121.38","0.02","90","","1872","1.3","170","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C3 H10 Br2 Cd O2 S -","- C3 H9 Br2 Cd O2 S -","- C24 H72 Br16 Cd8 O16 S8 -","8","1","MU1030","Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~<i>n~</i>] and [{CdBr~2~(dmso)(MeOH)}~<i>n~</i>] with coordinated dimethyl sulfoxide and methanol","Acta Crystallographica Section C","1993","49","6","1173","1175","10.1107/S0108270192012150","","","0.71073","MoKα","","","0.0563","","","0.0727","","","","","1.83","1.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001627","11.771","0.001","20.353","0.003","14.704","0.002","90","","109.719","0.008","90","","3316.1","0.7","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Cl4 P2 Pt -","- C27 H48 Cl8 P2 Pt -","- C108 H192 Cl32 P8 Pt4 -","4","1","BR1017","Mague, J. T.; Fink, M. J.; Recatto, C. A.","Structure of <i>cis</i>-[1,2-bis(dicyclohexylphosphino)ethane-<i>P</i>,<i>P</i>']dichloroplatinum(II) chloroform solvate","Acta Crystallographica Section C","1993","49","6","1176","1178","10.1107/S0108270192011697","","","0.71073","MoKα","","","0.035","","","0.045","","","","","1.394","1.394","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001628","8.029","0.001","23.091","0.005","20.11","0.005","90","","90","","90","","3728.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H18 N6 O S3 -","- C14 H18 N6 O S3 -","- C112 H144 N48 O8 S24 -","8","1","OH1007","Hu, N.-H.; Zhang, S.-L.","Interactions of thiamine with anions. Structure of thiamine dithiocyanate","Acta Crystallographica Section C","1993","49","6","1178","1180","10.1107/S0108270192012630","","","0.71069","MoKα","","","0.052","","","0.047","","","","","1.91","1.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001629","11.941","0.001","18.423","0.002","8.791","0.001","90","","90.49","0.02","90","","1933.9","0.3","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C22 H27 F O -","- C22 H27 F O -","- C88 H108 F4 O4 -","4","1","HA1029","Ravikumar, K.","Non-steroidal anti-inflammatory drugs. II. Structure of (<i>E</i>)-2,6-di-<i>tert</i>-butyl-4-[2-(4-fluorophenyl)ethenyl]phenol","Acta Crystallographica Section C","1993","49","6","1180","1182","10.1107/S0108270192013076","","","0.71063","MoKα","","","0.047","","","0.049","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001630","7.076","0.005","8.218","0.007","10.353","0.008","90","","105.2","0.04","90","","581","0.8","293","","","","","","","","","","","4","P 1 c 1","P -2yc","","","","","- C10 H18 N2 O7 -","- C10 H18 N2 O7 -","- C20 H36 N4 O14 -","2","1","KA1016","Kettmann, V.; Lokaj, J.; Ducamp-Sanguesa, C.; Figlarz, M.; Touboul, M.","Structure of <i>N</i>-(2-hydroxyethyl)ethylenediaminetriacetic acid","Acta Crystallographica Section C","1993","49","6","1182","1184","10.1107/S010827019201309X","","","0.71069","MoKα","","","0.034","","","0.042","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001631","7.681","0.001","14.758","0.002","16.377","0.004","79.46","0.02","87.6","0.05","79.92","0.04","1796.8","0.6","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H23 N9 S4 -","- C39 H23 N9 S4 -","- C78 H46 N18 S8 -","2","1","PA1030","Triki, S.; Ouahab, L.; Grandjean, D.; Garin, J.; Uriel, S.; Fabre, J. M.","Structure of the bis(7,7,8,8-tetracyano-<i>p</i>-quinodimethane)–4-(benzylmethylaminomethyl)-2,2',5,5'-tetrathiafulvalene charge-transfer complex","Acta Crystallographica Section C","1993","49","6","1184","1187","10.1107/S0108270192013313","","","0.71073","MoKα","","","0.039","","","0.049","","","","","1.106","1.106","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001632","10.107","0.004","12.359","0.005","20.861","0.013","90","","90","","90","","2606","2","293","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H8 O4 Re S4 -","- C8 H8 O4 Re S4 -","- C64 H64 O32 Re8 S32 -","8","0.5","PA1033","Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.","Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~","Acta Crystallographica Section C","1993","49","6","1187","1189","10.1107/S0108270192013222","","","0.71073","MoKα","","","0.031","","","0.051","","","","","1.347","1.347","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"2001633","9.682","0.014","9.698","0.004","9.926","0.002","81.95","0.03","80.84","0.05","68.36","0.07","851.9","1.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 F6 P S2 Se2 -","- C12 H12 F6 P S2 Se2 -","- C24 H24 F12 P2 S4 Se4 -","2","1","PA1033","Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.","Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~","Acta Crystallographica Section C","1993","49","6","1187","1189","10.1107/S0108270192013222","","","0.71073","MoKα","","","0.051","","","0.071","","","","","1.617","1.617","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001634","10.5","0.002","11.11","0.003","12.776","0.002","72.66","0.03","72.12","0.02","73.4","0.03","1322.6","0.6","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 N10 O3 S6 -","- C58 H32 N10 O4 S6 -","- C58 H32 N10 O4 S6 -","1","0.5","PA1032","Triki, S.; Ouahab, L.; Lorcy, D.; Robert, A.","Structure of anthracenediylidene-bis(1,3-dithiole)–tetracyanoquinodimethane–bis(cyanoformyl)phenyl-malononitrile ylide monohydrate: (Ext-TTF^2+^).TCNQ.(Y^{–^})~2~.(H~2~O)","Acta Crystallographica Section C","1993","49","6","1189","1192","10.1107/S0108270192013283","","","0.71073","MoKα","","","0.05","","","0.066","","","","","1.769","1.769","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001635","7.736","0.002","10.941","0.002","26.445","0.005","90","","90","","90","","2238.3","0.8","178","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H31 N O3 -","- C27 H31 N O3 -","- C108 H124 N4 O12 -","4","1","HA1020","Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.","Structures of the 1:1 and 2:1 adducts of (+)-(<i>S</i>)-[2.2]paracyclophane-4-carboxylic acid and (‒)-ephedrine","Acta Crystallographica Section C","1993","49","6","1192","1195","10.1107/S0108270192013568","","","0.71069","MoKα","","","0.038","","","0.043","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001636","13.771","0.003","7.788","0.002","17.357","0.004","90","","106.39","0.02","90","","1785.9","0.8","178","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H47 N O5 -","- C44 H47 N O5 -","- C88 H94 N2 O10 -","2","1","HA1020","Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.","Structures of the 1:1 and 2:1 adducts of (+)-(<i>S</i>)-[2.2]paracyclophane-4-carboxylic acid and (‒)-ephedrine","Acta Crystallographica Section C","1993","49","6","1192","1195","10.1107/S0108270192013568","","","0.71069","MoKα","","","0.038","","","0.043","","","","","1.5","1.5","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001637","23.343","0.009","6.453","0.003","17.683","0.006","90","","128.48","0.03","90","","2085.2","1.7","178","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","MU1020","Jones, P. G.; Laue, T.; Hopf, H.","(‒)-(<i>S</i>)-α-Phenylethylammonium (‒)-(<i>R</i>)-[2.2]paracyclophane-4-carboxylate","Acta Crystallographica Section C","1993","49","6","1195","1197","10.1107/S0108270192010527","","","0.71069","MoKα","","","0.038","","","0.044","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001638","18.204","0.004","7.855","0.001","11.751","0.002","90","","91.77","0.02","90","","1679.5","0.5","150","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 Cl4 O2 S -","- C4 Cl4 O2 S -","- C32 Cl32 O16 S8 -","8","1","HA1035","Douglas, G.; Frampton, C. S.; Muir, K. W.","Structure of α-tetrachlorothiophene 1,1-dioxide at 150 K","Acta Crystallographica Section C","1993","49","6","1197","1199","10.1107/S0108270193000277","","","0.71069","MoKα","","","0.043","","","0.08","","","","","3.3","3.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001639","9.098","0.004","9.798","0.005","10.815","0.005","92.73","0.04","105.81","0.03","92","0.04","925.4","0.8","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N2 O P -","- C19 H25 N2 O P -","- C38 H50 N4 O2 P2 -","2","1","ST1036","Koeller, K. J.; Rath, N. P.; Spilling, C. D.","Structure of a chiral monocyclic phosphonamide","Acta Crystallographica Section C","1993","49","6","1199","1201","10.1107/S0108270192013003","","","0.71073","MoKα","","","0.0562","","","0.0628","","","","","1.33","1.33","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001640","16.43","0.004","10.819","0.001","15.536","0.004","90","","105.52","0.01","90","","2660.9","1","296.15","","296.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","1","AS1027","Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I.","Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,10<i>R</i>*,11<i>S</i>*)-10-(<i>tert</i>-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7<i>H</i>)-benzocyclononene-8-carbaldehyde","Acta Crystallographica Section C","1993","49","6","1201","1203","10.1107/S0108270192012915","","","1.54184","CuKα","","","0.064","","","0.079","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001641","7.671","0.003","8.621","0.002","28.191","0.008","90","","90","","90","","1864.3","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-ethoxycarbonyl-5-methyl-10-(2,4,6-trimethylphenyl)-1,2,9-triaza-8- oxabicyclo[5.3.0]-3,5,9-decatriene","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","NA1025","Beltrame, P.; Gelli, G.; Cadoni, E.; Carnasciali, M. M.; Pani, M.; Mugnoli, A.","Structure of a triazaoxabicyclodecatriene derivative","Acta Crystallographica Section C","1993","49","6","1203","1205","10.1107/S0108270192012940","","","0.7107","MoKα","","","0.0618","","","0.0841","","","","","1.667","1.667","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2001642","21.778","0.003","16.707","0.002","12.367","0.002","90","","97.89","0.03","90","","4457.1","1.1","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C240 H176 N16 O24 -","8","2","NA1026","Millini, R.; Del Piero, G.; Allegrini, P.; Malatesta, V.; Castaldi, G.","Structure of photochromic spiroxazines. II. 1',3',3'-Trimethylspiro{anthra[2,1-<i>f</i>][1,4]benzoxazine-2,2'-indoline}-7,12-dione","Acta Crystallographica Section C","1993","49","6","1205","1207","10.1107/S010827019300006X","","","1.54178","CuKα","","","0.049","","","0.043","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001643","9.045","0.003","9.67","0.003","14.807","0.004","90","","90","","90","","1295.1","0.7","153","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","VS1002","Huipe-Nava, E.; Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Mendoza, V.; Garcia G., E.; Guzman, J. A.","β-Homopipitzolone","Acta Crystallographica Section C","1993","49","6","1207","1209","10.1107/S0108270192013374","","","0.71073","MoKα","","","0.033","","","0.032","","","","","0.52","0.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001644","7.333","0.001","8.339","0.001","15.616","0.004","95.68","0.01","103.2","0.02","107.62","0.02","871.4","0.3","289","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N3 O6 -","- C16 H12 F3 N3 O6 -","- C32 H24 F6 N6 O12 -","2","1","LI1038","Brown, D. M.; Lin, P. K. T.; Van Meervelt, L.","Structure of 4-nitrobenzyl <i>N</i>-(4-nitrobenzyloxy)trifluoroacetimidate","Acta Crystallographica Section C","1993","49","6","1209","1211","10.1107/S0108270192013271","","","1.54184","CuKα","","","0.0709","","","0.0637","","","","","1.02","1.02","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001645","14.597","0.005","13.153","0.005","6.584","0.003","90","","90","","90","","1264.1","0.9","298","","","","","","","","","","","4","I b a m","-I 2 2c","","","","","- C5 H4 N4 S -","- C5 H4 N4 S -","- C40 H32 N32 S8 -","8","0.5","CR1037","Singh, P.; Pedersen, L. G.","Orthorhombic form of thiopurinol: 1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4-thione","Acta Crystallographica Section C","1993","49","6","1211","1215","10.1107/S0108270192013453","","","0.71073","MoKα","","","0.043","","","0.06","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001646","12.137","0.002","12.181","0.002","11.694","0.002","100.39","0.01","100.1","0.01","78.02","0.01","1646.3","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 Cl3 N3 O6 -","- C6 Cl3 N3 O6 -","- C36 Cl18 N18 O36 -","6","3","DU1015","Gerard, F.; Hardy, A.; Becuwe, A.","Structure of 1,3,5-trichloro-2,4,6-trinitrobenzene","Acta Crystallographica Section C","1993","49","6","1215","1218","10.1107/S0108270193000034","","","0.7093","MoKα","","","0.029","","","0.034","","","","","1.33","1.33","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001647","10.897","0.001","6.941","0.001","6.345","0.001","64.28","0.01","74.32","0.01","74.81","0.01","410.44","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","cis-4-Cyclohexene-1,2-dicarboxylic Acid","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","SH1025","Küppers, H.; Kim, S. A.","Structure of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid","Acta Crystallographica Section C","1993","49","6","1218","1220","10.1107/S0108270193000095","","","0.7107","MolybdenumKα","","","0.066","","","0.049","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001648","21.953","0.005","8.961","0.003","13.588","0.003","90","","96.07","0.03","90","","2658.1","1.2","295","0.5","295","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-Dimethyl-4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane diiodide","","- C20 H42 I2 N2 O6 -","- C20 H42 I2 N2 O6 -","- C80 H168 I8 N8 O24 -","4","0.5","SH1028","Korber, N.; Jansen, M.","<i>N</i>,<i>N</i>'-Dimethylcryptand[2.2.2] diiodide","Acta Crystallographica Section C","1993","49","6","1220","1222","10.1107/S0108270192012824","","","0.71069","MoKα","","0.032","0.0298","","0.0789","0.0772","","","","1.144","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001649","7.578","0.002","8.735","0.002","9.371","0.002","90","","90","","90","","620.3","0.3","296","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H5 Br O4 -","- C4 H5 Br O4 -","- C16 H20 Br4 O16 -","4","1","BR1027","Britten, J. F.; Howard-Lock, H. E.; Leblanc, D.; Lock, C. J. L.","(<i>R</i>)-2-Bromo-1,4-butanedioic acid","Acta Crystallographica Section C","1993","49","6","1222","1224","10.1107/S0108270192013210","","","1.54178","CuKα","","","0.0424","","","0.0419","","","","","1.97","1.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001650","10.808","0.002","10.808","0.002","10.883","0.001","90","","90","","120","0.1","1101","1.2","295","","","","","","","","","","","3","P 31","P 31","","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C60 H42 O6 -","3","1","OH1012","Mori, K.; Masuda, Y.; Kashino, S.","(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl","Acta Crystallographica Section C","1993","49","6","1224","1227","10.1107/S0108270193000083","","","1.54178","CuKα","","","0.03","","","0.039","","","","","1.357","1.357","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001651","15.696","0.002","21.617","0.002","8.6253","0.0006","90","","90","","90","","2926.6","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","OH1012","Mori, K.; Masuda, Y.; Kashino, S.","(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl","Acta Crystallographica Section C","1993","49","6","1224","1227","10.1107/S0108270193000083","","","1.54178","CuKα","","","0.034","","","0.039","","","","","1.214","1.214","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001652","19.979","0.002","24.115","0.003","8.998","0.0014","90","","90","","90","","4335.2","1","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C39 H73 N O14 -","- C39 H73 N O14 -","- C156 H292 N4 O56 -","4","1","OH1013","Iwasaki, H.; Sugawara, Y.; Adachi, T.; Morimoto, S.; Watanabe, Y.","Structure of 6-<i>O</i>-methylerythromycin A (clarithromycin)","Acta Crystallographica Section C","1993","49","6","1227","1230","10.1107/S0108270193000186","","","0.71073","MoKα","","","0.045","","","0.053","","","","","0.7823","0.7823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001653","8.311","0.003","10.552","0.003","7.508","0.005","97.45","0.04","115.59","0.03","104.36","0.02","553.8","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","AL1004","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structure of a pyrano[2,3-<i>b</i>]indolizine","Acta Crystallographica Section C","1993","49","6","1230","1232","10.1107/S0108270192012769","","","0.71069","MoKα","","","0.044","","","0.055","","","","","1.84","1.84","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001654","9.492","0.002","4.674","0.006","49.39","0.01","90","","93.65","0.02","90","","2187","3","221","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C22 H42 O2 -","- C22 H42 O2 -","- C88 H168 O8 -","4","1","OH1011","Kaneko, F.; Yamazaki, K.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the γ phase of erucic acid","Acta Crystallographica Section C","1993","49","6","1232","1234","10.1107/S0108270193000071","","","1.5418","CuKα","","","0.051","","","0.067","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001655","9.145","0.001","16.756","0.002","18.201","0.002","90","","90","","90","","2789","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","ST1038","Abboud, K. A.; Jiang, S.; Enholm, E. J.","Structure of a coupled carbohydrate and terpene","Acta Crystallographica Section C","1993","49","6","1234","1237","10.1107/S0108270193000113","","","0.71073","MoKα","","","0.0527","","","0.0503","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001656","6.4176","0.0009","12.296","0.002","12.215","0.002","90","","114.3","0.01","90","","878.5","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hydrogenophosphate of piperazinium monohydrated","Hydrogenophosphate of piperazinium monohydrated","","- C4 H15 N2 O5 P -","- C4 H14 N2 O5 P -","- C16 H56 N8 O20 P4 -","4","1","DU1011","Riou, D.; Loiseau, T.; Ferey, G.","Structure determination of a monohydrated piperazinium hydrogenphosphate","Acta Crystallographica Section C","1993","49","6","1237","1238","10.1107/S0108270193000496","","","0.71069","MoKα","","","0.039","","","0.034","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001657","5.95","0.002","8.238","0.001","9.952","0.002","90","","102.82","0.02","90","","475.6","0.2","296","","296","","","","","","","","","4","P 1 21 1","","","","(4S,5S)-4-Methyl-5-phenyl-2-oxazolidinone","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","CR1047","Robinson, P. D.; Hua, D. H.; Good, L. A.; Wang, H.; Meyers, C. Y.","(4<i>S</i>,5<i>S</i>)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","1993","49","6","1238","1240","10.1107/S0108270192013477","","","0.71069","MoKα","","","0.029","","","0.036","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001658","19.14","0.03","7.635","0.003","19.838","0.001","90","","99.84","0.04","90","","2856","5","293","","","","","","","","","","","3","I 1 2 1","I 2y","","","","","- C29 H52 O7 -","- C29 H52 O6.5 -","- C116 H208 O26 -","4","1","HA1010","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K.","Structure of vicogenin","Acta Crystallographica Section C","1993","49","6","1240","1242","10.1107/S0108270192013556","","","1.5418","CuKα","","","0.056","","","0.06","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001659","6.608","0.001","6.899","0.001","12.977","0.002","82.66","0.01","80.64","0.01","73.97","0.01","558.88","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Eu2 H8 O11.5 P3 -","- Eu2 H3 O12 P3 -","- Eu4 H6 O24 P6 -","2","1","DU1019","Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.","Structure de Eu~2~(PO~3~H)~3~.2,5H~2~O","Acta Crystallographica Section C","1993","49","5","849","851","10.1107/S0108270192012587","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001660","9.73439","0.00009","9.73439","0.00009","11.892","0.0002","90","","90","","120","","975.89","0.02","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- Ir O6 Sr4 -","- Ir O6 Sr4 -","- Ir6 O36 Sr24 -","6","","HU1016","Powell, A. V.; Battle, P. D.; Gore, J. G.","Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction","Acta Crystallographica Section C","1993","49","5","852","854","10.1107/S0108270192012721","","neutron","","Neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001661","11.45","0.002","8.409","0.002","9.847","0.001","90","","95.28","0.01","90","","944.1","0.3","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu2 O19 Rb2 Si8 -","- Cu2 O19 Rb2 Si8 -","- Cu4 O38 Rb4 Si16 -","2","0.5","OH1000","Watanabe, I.; Kawahara, A.","Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~","Acta Crystallographica Section C","1993","49","5","854","856","10.1107/S0108270192011892","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001662","13.126","0.002","16.274","0.007","11.756","0.004","96.77","0.02","90.04","0.02","77.77","0.02","2436.4","1.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H17 K10 O50 W12 -","- H2 K10 O52 W12 -","- H4 K20 O104 W24 -","2","1","GR0197","Evans, Jnr, H. T.; Kortz, U.; Jameson, G. B.","Structure of potassium paradodecatungstate 71/2-hydrate","Acta Crystallographica Section C","1993","49","5","856","861","10.1107/S0108270192012010","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001663","8.686","0.001","12.483","0.002","12.933","0.002","73.09","0.01","73.65","0.01","70.87","0.01","1240.4","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cl14 N10 Ni5 -","- C28 H46 Cl14 N10 Ni5 -","- C28 H46 Cl14 N10 Ni5 -","1","0.5","ST0571","Bond, M. R.; Willett, R. D.","Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)","Acta Crystallographica Section C","1993","49","5","861","865","10.1107/S0108270192009600","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001664","7.648","0.001","8.498","0.001","9.55","0.001","85.15","0.01","83.71","0.01","69.08","0.01","575.58","0.12","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl8 N2 Ni3 O2 -","- C12 H20 Cl8 N2 Ni3 O2 -","- C12 H20 Cl8 N2 Ni3 O2 -","1","0.5","ST0571","Bond, M. R.; Willett, R. D.","Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)","Acta Crystallographica Section C","1993","49","5","861","865","10.1107/S0108270192009600","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001665","8.294","0.001","10.981","0.003","11.934","0.003","90","","107.04","0.02","90","","1039.2","0.4","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Cl3 Er N2 O9 -","- C10 H18 Cl3 Er N2 O9 -","- C20 H36 Cl6 Er2 N4 O18 -","2","1","MU1025","Ma, A.-Z.; Li, L.-M.; Lin, Y.-H.; Xi, S.-Q.","Structure of an erbium coordination compound with <small>L</small>-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~<i>n~</i>","Acta Crystallographica Section C","1993","49","5","865","867","10.1107/S0108270192012113","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001666","7.597","0.005","12.951","0.003","13.131","0.005","90","","90","","90","","1291.9","1","","","","","","","","","","","","6","P n a m","-P 2c -2n","","","","","- C6 H10 K2 N O11 V -","- C6 H10 K2 N O11 V -","- C24 H40 K8 N4 O44 V4 -","4","0.5","AB1026","Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Sivák, M.; Gyepesová, D.","Structure of dipotassium (nitrilo-κ<i>N</i>-triacetato-κ^3^<i></i><i>O</i>,<i>O</i>'',<i>O</i>'''')oxoperoxovanadate(V)‒water (1/2)","Acta Crystallographica Section C","1993","49","5","867","870","10.1107/S0108270192011843","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001667","13.46","0.005","9.632","0.003","24.667","0.002","90","","107.79","0.06","90","","3045.1","1.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C38 H28 N6 O4 Zn -","- C38 H28 N6 O4 Zn -","- C152 H112 N24 O16 Zn4 -","4","1","MU0262","Sur, H.; Roychowdhuri, S.; Seth, S.","Structure of bis{2'-[α-(2-pyridyl)benzylidene]salicylohydrazido}zinc(II)","Acta Crystallographica Section C","1993","49","5","870","873","10.1107/S0108270192012319","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001668","17.152","0.014","7.146","0.005","21","0.03","90","","93","0.09","90","","2570","5","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C18 H34 N2 O2 S4 Sn -","- C18 H34 N2 O2 S4 Sn -","- C72 H136 N8 O8 S16 Sn4 -","4","0.5","DU1017","Vrábel, V.; Kellö, E.","Structure of di(<i>n</i>-butyl)bis(morpholinocarbodithioato-κ^2^<i>S,S'</i>)tin(IV)","Acta Crystallographica Section C","1993","49","5","873","875","10.1107/S0108270192013040","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001670","12.217","0.002","16.848","0.006","18.834","0.003","90","","100.37","0.02","90","","3813.3","1.6","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 B F15 O2 Ta -","- C39 H35 B F15 O2 Ta -","- C156 H140 B4 F60 O8 Ta4 -","4","1","HH0591","Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.","Structure of hydroxo(methyl)bis(η^5^-pentamethylcyclopentadienyl)tantalum(V) hydroxotris(pentafluorophenyl)borate","Acta Crystallographica Section C","1993","49","5","878","881","10.1107/S0108270192003998","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","278324","2022-10-03","14:41:53",""
"2001671","7.473","0.001","7.779","0.002","9.787","0.002","109.46","0.03","98.56","0.03","98.29","0.03","518.9","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 N8 O8 P2 Pt -","- C12 H12 N8 O10 P2 Pt -","- C12 H12 N8 O10 P2 Pt -","1","0.5","BR1016","Britten, J. F.; Lock, C. J. L.; Wang, Z.","Bis[di(imidazol-2-yl)phosphinato-<i>N</i>^3^,<i>N</i>^3'^]platinum(II) tetrahydrate","Acta Crystallographica Section C","1993","49","5","881","884","10.1107/S0108270192013258","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001672","12.079","0.002","12.671","0.003","18.01","0.02","101.46","0.05","96.45","0.06","113.6","0.03","2418","3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Br4 N2 O13 Pb -","- C38 H46 Br4 N2 O13 Pb -","- C76 H92 Br8 N4 O26 Pb2 -","2","1","HU0410","García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Blanco-Gomís, D.","Structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)lead(II) eosin dihydrate","Acta Crystallographica Section C","1993","49","5","884","886","10.1107/S010827019200979X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001673","11.749","0.003","8.3","0.002","14.725","0.002","90","","103.97","0.02","90","","1393.5","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C8 H19 Cl O5 Sn -","- C8 H Cl O5 Sn -","- C32 H4 Cl4 O20 Sn4 -","4","1","BR1020","Lambert, J. B.; Kuhlmann, B.; Stern, C. L.","Structure of the dimer of dibutylhydroxystannyl perchlorate","Acta Crystallographica Section C","1993","49","5","887","890","10.1107/S0108270192011648","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001674","11.864","0.003","7.726","0.002","14.832","0.003","90","","102.17","0.02","90","","1329","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Cu N4 O6 -","- C27 H26 Cu N4 O6 -","- C54 H52 Cu2 N8 O12 -","2","1","MU0252","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate","Acta Crystallographica Section C","1993","49","5","890","893","10.1107/S0108270192000556","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001675","14.138","0.003","10.016","0.002","7.565","0.002","104.83","0.02","83.47","0.02","119.93","0.02","897.3","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N4 O7 -","- C16 H20 Cu N4 O7 -","- C32 H40 Cu2 N8 O14 -","2","1","MU0252","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. II. Structures of <small>L</small>-alaninato(aqua)(4,7-diphenyl-1,10-phenanthroline)copper(II) nitrite monohydrate and aqua(4,7-dimethyl-1,10-phenanthroline)(glycinato)(nitrato)copper(II) monohydrate","Acta Crystallographica Section C","1993","49","5","890","893","10.1107/S0108270192000556","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001676","12.2783","0.0008","21.5387","0.0006","41.9626","0.0002","90","","90","","90","","11097.4","0.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C58 H58 Cl4 P4 W2 -","- C58 H52 Cl4 P4 W2 -","- C464 H416 Cl32 P32 W16 -","8","1","HH1033","Cotton, F. A.; Eglin, J. L.; James, C. A.","Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~","Acta Crystallographica Section C","1993","49","5","893","896","10.1107/S0108270193000666","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001677","12.032","0.004","10.724","0.004","9.502","0.003","90","","90","","90","","1226.1","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","MU1001","Hajjem, B.; Kallel, A.; Svoboda, I.; Baccar, B.","Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide","Acta Crystallographica Section C","1993","49","5","898","900","10.1107/S0108270192012046","","","0.71069","MO","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001678","8.959","0.001","14.137","0.001","13.934","0.001","90","","90","","90","","1764.8","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C84 H112 N8 -","4","1","HU1008","Katrusiak, A.","Structure of 15-phenyl-14-dehydrosparteine","Acta Crystallographica Section C","1993","49","5","900","902","10.1107/S0108270192012708","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001679","20.449","0.004","11.473","0.002","13.025","0.002","90","","108.91","0.01","90","","2890.9","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H15 Cl -","- C20 H15 Cl -","- C160 H120 Cl8 -","8","2","CR0405","Carrell, H. L.","7-Chloromethyl-12-methylbenz[<i>a</i>]anthracene","Acta Crystallographica Section C","1993","49","5","902","905","10.1107/S0108270192008278","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001680","24.113","0.005","11.02","0.005","12.065","0.004","90","","100.07","0.02","90","","3156.6","1.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C30 H36 N3 O4 S3 -","- C33.5 H29 N3 O4 S3 -","- C134 H116 N12 O16 S12 -","4","1","AL1031","Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.","Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane","Acta Crystallographica Section C","1993","49","5","905","908","10.1107/S0108270192012770","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001681","9.114","0.007","18.747","0.011","14.185","0.009","90","","104.57","0.06","90","","2346","3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 Cl N2 O3 -","- C24 H38 Cl N2 O3 -","- C96 H152 Cl4 N8 O12 -","4","1","DU0340","Kettmann, V.; Frešová, E.; Sivý, J.; Gregáň, F.","Structure of <i>trans</i>-1-{2-[(2-butoxy)phenylcarbamoyloxy]cycloheptylmethyl}piperidinium chloride","Acta Crystallographica Section C","1993","49","5","908","911","10.1107/S0108270192012459","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001682","8.756","0.004","12.373","0.006","8.426","0.005","102.99","0.03","115.79","0.03","98.06","0.03","770.9","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N6 O4 -","- C17 H16 N6 O4 -","- C34 H32 N12 O8 -","2","1","AL1019","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","5","911","914","10.1107/S0108270192012241","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001683","14.44","0.007","9.416","0.005","16.227","0.009","90","","98.42","0.03","90","","2183","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C27 H20 N6 O4 -","- C27 H20 N6 O4 -","- C108 H80 N24 O16 -","4","1","AL1019","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structures of Diels‒Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","5","911","914","10.1107/S0108270192012241","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001684","12.673","0.006","11.431","0.006","9.439","0.005","68.49","0.03","111.39","0.03","97.72","0.03","1184.5","1.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N6 O5 -","- C28 H22 N6 O5 -","- C56 H44 N12 O10 -","2","1","AL1019","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structures of Diels–Alder reaction bis-adducts of 4-phenyl- or 4-methyl-1,2,4-triazoline-3,5-dione with 1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","5","911","914","10.1107/S0108270192012241","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001685","7.349","0.001","10.613","0.002","11.721","0.002","84.42","0.01","79.42","0.01","83.23","0.01","889.7","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl4 N2 O3 -","- C16 H12 Cl4 N2 O3 -","- C32 H24 Cl8 N4 O6 -","2","1","GR0204","Toma, P. H.; Nguyen, D. N.; Byrn, S. R.","9-Chloro-2-ethoxy-6-nitroacridine","Acta Crystallographica Section C","1993","49","5","914","916","10.1107/S0108270192011909","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001686","5.322","0.002","10.531","0.003","12.939","0.002","90","","99.2","0.02","90","","715.9","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 Se3 -","- C10 H16 N4 Se3 -","- C20 H32 N8 Se6 -","2","1","AB1012","Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.","Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene","Acta Crystallographica Section C","1993","49","5","917","921","10.1107/S0108270192011582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001687","8.005","0.001","13.717","0.002","11.95","0.001","90","","93.42","0.01","90","","1309.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H14 N4 Se3 -","- C9 H14 N4 Se3 -","- C36 H56 N16 Se12 -","4","1","AB1012","Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.","Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene","Acta Crystallographica Section C","1993","49","5","917","921","10.1107/S0108270192011582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001688","5.659","0.002","15.097","0.003","17.138","0.005","90","","96.7","0.3","90","","1454.2","1.2","","","","","","","","","","","","4","P 1 21 1","","","","","","- C28 H33 N9 O10 -","- C28 H33 N9 O10 -","- C56 H66 N18 O20 -","2","1","GR1001","Bhat, B.; Wilson, S. R.; Leonard, N. J.","Structure of a covalently linked cross-section representative of a hydrogen-bonded dA^. ^dT base pair","Acta Crystallographica Section C","1993","49","5","921","924","10.1107/S0108270192012009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2001689","10.0317","0.0001","5.8539","0.0001","4.6768","0.0001","90","","90","","90","","274.643","0.008","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.5","HA1024","Abrahams, I.; Easson, K. S.","Structure of lithium nickel phosphate","Acta Crystallographica Section C","1993","49","5","925","926","10.1107/S0108270192013064","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001690","6.334","0.001","14.204","0.001","14.215","0.001","90","","100.72","0.01","90","","1256.6","0.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Cl3 N5 O Zn -","- C6 H10 Cl3 N5 O Zn -","- C24 H40 Cl12 N20 O4 Zn4 -","4","1","LI1022","Maixner, J.; Zachová, J.","Structure of trichloro(9-methyladeninium)zinc(II) monohydrate","Acta Crystallographica Section C","1993","49","5","927","929","10.1107/S0108270192010837","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001691","15.427","0.002","8.323","0.003","11.772","0.005","90","","90","","90","","1511.5","0.9","","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","","","- C16 H15 N S U -","- C16 H15 N S U -","- C64 H60 N4 S4 U4 -","4","1","MU1000","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Structure of tris(η^5^-cyclopentadienyl)uranium thiocyanate","Acta Crystallographica Section C","1993","49","5","929","931","10.1107/S0108270192011211","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001692","11.813","0.004","8.353","0.005","12.297","0.004","90","","102.31","0.03","90","","1185.5","0.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H14 Fe O2 -","- C14 H14 Fe O2 -","- C56 H56 Fe4 O8 -","4","1","HH0554","Zhu, Y.","Structure of 3-ferrocenyl-2-butenoic acid","Acta Crystallographica Section C","1993","49","5","931","932","10.1107/S0108270192006632","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001693","4.9016","0.0008","7.975","0.001","8.413","0.007","100.4","0.01","102.417","0.001","94.083","0.001","313.8","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cl N O -","- C4 H10 Cl N O -","- C8 H20 Cl2 N2 O2 -","2","1","AB1008","Bentzen, S.; Nielsen, P. H.; Anthoni, U.; Christophersen, C.; Gajhede, M.","3-Methoxyazetidinium chloride","Acta Crystallographica Section C","1993","49","5","932","934","10.1107/S0108270192009314","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001694","7.732","0.002","9.533","0.003","14.725","0.005","90","","90","","90","","1085.4","0.6","","","","","","","","","","","","4","P 21 a b","P -2b 2a","","","","","- C9 H16 O2 S2 -","- C9 H16 O2 S2 -","- C36 H64 O8 S8 -","4","1","SE1014","Brunck, J.-S.; Voss, J.; Olbrich, F.; Viebrock, H.","Structure and configuration of the Michael adduct of 2-(methylthio)thiolane <i>S</i>-oxide and butenone at 173 K","Acta Crystallographica Section C","1993","49","5","934","936","10.1107/S0108270192013350","","","1.54051","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001695","17.32","0.002","17.32","0.002","16.963","0.002","90","","90","","120","","4406.9","0.9","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C10 H17 Cl N -","- C10 H17.5 Cl0.5 N -","- C180 H315 Cl9 N18 -","18","1","ST0476","Abboud, K. A.; Davis, R. E.; Chen, K.-M.; Whitesell, J. K.","Structure at 198 K of a chiral tricyclic aminochloride, C~10~H~17~N.0.5HCl","Acta Crystallographica Section C","1993","49","5","936","938","10.1107/S0108270192012502","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001696","6.023","0.002","8.007","0.003","20.877","0.009","90","","90","","90","","1006.8","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H9 N Te -","- C12 H9 N Te -","- C48 H36 N4 Te4 -","4","1","ST1023","Junk, T.; Irgolic, K. J.; Reibenspies, J. H.; Meyers, E. A.","Structure of phenotellurazine","Acta Crystallographica Section C","1993","49","5","938","940","10.1107/S0108270192011004","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001697","11.423","0.002","12.193","0.002","6.601","0.005","81","0.03","104.04","0.03","103.052","0.012","863.8","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 N2 O2 S Si -","- C14 H22 N2 O2 S Si -","- C28 H44 N4 O4 S2 Si2 -","2","1","GR0202","Negron, A.; Barnes, C. L.; Soderquist, J. A.","1,1-Dimethyl-1-silacyclohexan-4-one tosylhydrazone","Acta Crystallographica Section C","1993","49","5","940","942","10.1107/S0108270192012034","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001698","9.696","0.003","11.322","0.004","7.076","0.003","100.68","0.04","93.4","0.03","107.04","0.04","724.5","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C24 H36 Cl4 N4 O4 -","2","1","PA0264","Cousson, A.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","Structure of <i>N</i>,<i>N</i>'-dimethyl-4,4'-bipyridylium dichloride dihydrate","Acta Crystallographica Section C","1993","49","5","942","943","10.1107/S0108270191015019","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001699","11.6918","0.0004","6.407","0.0002","6.6988","0.0002","90","","105.55","0.001","90","","483.44","0.03","300","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cl2 D4 O2 Sr -","- Cl2 D4 O2 Sr -","- Cl8 D16 O8 Sr4 -","4","0.5","SH1018","Möller, H.; Lutz, H. D.","Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction","Acta Crystallographica Section C","1993","49","5","944","946","10.1107/S0108270192011806","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001700","11.7008","0.0004","6.3697","0.0002","6.6477","0.0002","90","","105.978","0.002","90","","476.32","0.03","1.5","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cl2 D4 O2 Sr -","- Cl2 D4 O2 Sr -","- Cl8 D16 O8 Sr4 -","4","0.5","SH1018","Möller, H.; Lutz, H. D.","Profile structure refinement of SrCl~2~.2D~2~O by neutron powder diffraction","Acta Crystallographica Section C","1993","49","5","944","946","10.1107/S0108270192011806","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001701","7.2","0.002","7.477","0.002","9.144","0.003","90","","108.95","0.01","90","","465.6","0.2","291","1","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br8 K4 Zn2 -","2","0.5","AL9484","Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.","Structure determination of K~2~ZnBr~4~ at 291 and 144 K","Acta Crystallographica Section C","1993","49","5","946","950","10.1107/S0108270192009508","","","1.54056","CuKαradiationforpowderdiffraction","","","0.0282","","","0.0315","","","","","1.123","1.123","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001702","7.204","0.003","7.413","0.004","9.028","0.005","90","","108.67","0.03","90","","456.8","0.4","144","3","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br8 K4 Zn2 -","2","1","AL9484","Fábry, J.; Breczewski, T.; Zúñiga, F. J.; Arnaiz, A. R.","Structure determination of K~2~ZnBr~4~ at 291 and 144 K","Acta Crystallographica Section C","1993","49","5","946","950","10.1107/S0108270192009508","","","1.54056","CuKαradiationforpowderdiffraction","","","0.0493","","","0.0597","","","","","1.318","1.318","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001703","10.255","0.001","10.26","0.002","14.466","0.004","75.87","0.03","96.81","0.02","118.44","0.01","1297.9","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- K8 Mo6 O24 Th -","- K8 Mo6 O24 Th -","- K16 Mo12 O48 Th2 -","2","1","DU1012","Huyghe, M.; Lee, M.-R.; Jaulmes, S.; Quarton, M.","Structure de K~8~Th(MoO~4~)~6~","Acta Crystallographica Section C","1993","49","5","950","954","10.1107/S0108270192012204","","","0.71069","MoKα","","","0.068","","","0.064","","","","","1.89","1.89","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001704","14.863","0.003","15.751","0.003","11.94","0.003","90","","122.51","0.01","90","","2357.2","0.9","213","1","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C26 H34 O2 Sn -","- C26 H34 O2 Sn -","- C104 H136 O8 Sn4 -","4","1","SH1008","Reuter, H.; Schröder, D.","Triphenyltin(IV) isobutoxide isobutanol solvate","Acta Crystallographica Section C","1993","49","5","954","956","10.1107/S0108270192011569","","","0.71","MoKα","","","0.023","","","0.062","","","","","1.029","1.029","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001705","9.146","0.004","8.65","0.004","6.622","0.003","109.05","0.04","71.05","0.04","109.03","0.05","453.9","0.4","295","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H10 Br2 Cl4 N6 O2 Pd -","- C8 H10 Br2 Cl4 N6 O2 Pd -","- C8 H10 Br2 Cl4 N6 O2 Pd -","1","0.5","NA1012","Casellato, U.; Ettorre, R.; Graziani, R.","Bis(5-bromocytosinium) tetrachloropalladate(II)","Acta Crystallographica Section C","1993","49","5","956","957","10.1107/S0108270192011429","","","0.7107","MoKα","","","0.031","","","0.031","","","","","0.777","0.777","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001706","15.352","0.002","18.876","0.004","18.423","0.004","90","","103.71","0.01","90","","5186.6","1.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(η^2^-Dithioformato)-2-(triphenylphosphine)-1,7-dicarba-2-rhoda-closo- dodecaborane(12)","","- C22 H27 B9 P Rh S2 -","- C21 H27 B9 P Rh S2 -","- C168 H216 B72 P8 Rh8 S16 -","8","2","AB1043","Ferguson, G.; Couglan, S.; Spalding, T. R.","2-(η^2^-Dithioformato)-2-(triphenylphosphine)-1,7-dicarba-2-rhoda-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1993","49","5","957","961","10.1107/S010827019201223X","","","0.7093","MolybdenumKα","","","0.027","","","0.038","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001707","9.822","0.005","13.676","0.007","13.998","0.004","90","","96.86","0.03","90","","1866.8","1.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 N5 Ni O8 -","- C10 H25 Cl2 N5 Ni O9 -","- C40 H100 Cl8 N20 Ni4 O36 -","4","1","AS1020","Lu, T.-H.; Lan, W.-J.; Chung, C.-S.","Structure of (1,4,7,10,13-Pentaazacyclopentadecane-<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^10^,<i>N</i>^13^)(perchlorato-<i>O</i>)nickel(II) perchlorate","Acta Crystallographica Section C","1993","49","5","961","963","10.1107/S0108270192011405","","","0.7093","MoKα","","","0.066","","","0.074","","","","","2.03","2.03","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001708","8.7974","0.0005","11.8717","0.0007","10.779","0.0009","90","","108.212","0.005","90","","1069.37","0.13","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 F8 O4 S4 Zr2 -","- C8 H24 F8 O4 S4 Zr2 -","- C16 H48 F16 O8 S8 Zr4 -","2","0.5","DU1016","Gao, Y.; Guery, J.; Jacoboni, C.","Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O","Acta Crystallographica Section C","1993","49","5","963","965","10.1107/S0108270192012472","","","0.71073","MoKα","","","0.023","","","0.023","","","","","0.907","0.907","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001709","7.357","0.004","8.318","0.004","9.627","0.005","99.95","0.02","98.76","0.02","108.61","0.02","536.2","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 F4 O5 S Zr -","- C2 H14 F4 O5 S Zr -","- C4 H28 F8 O10 S2 Zr2 -","2","1","DU1016","Gao, Y.; Guery, J.; Jacoboni, C.","Structures of [Zr~2~F~8~(dmso)~4~] and [ZrF~4~(dmso)(H~2~O)~2~].2H~2~O","Acta Crystallographica Section C","1993","49","5","963","965","10.1107/S0108270192012472","","","0.71073","MoKα","","","0.021","","","0.021","","","","","2.21","2.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001710","7.96","0.001","20.467","0.002","11.565","0.001","90","","125.06","0.01","90","","1542.3","0.3","301","","301","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichlorobis-μ-{1-[4-chloro-(2-oxido-1:2κ^2^O')-phenyliminomethyl]naphalen- 2-olato}-1κ^2^N,O;2κ^2^N,O-diiron(III)","","- C34 H20 Cl4 Fe2 N2 O4 -","- C34 H20 Cl4 Fe2 N2 O4 -","- C68 H40 Cl8 Fe4 N4 O8 -","2","0.5","SH1022","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","Structure of bis[chloro{1-[(4-chloro-2-hydroxyphenyl)iminomethyl]naphthalen-2-olato-<i>O</i>,<i>O</i>',<i>N</i>}iron(III)]","Acta Crystallographica Section C","1993","49","5","965","967","10.1107/S0108270192012228","","","0.71069","MoKα","","","0.0685","","","0.0489","","","","","","","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2001711","13.7594","0.0006","5.9786","0.0003","17.843","0.0012","90","","106.115","0.005","90","","1410.12","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Ferrocenyl-1-phenylethanol","racemic 1-Ferrocenyl-1-phenylethanol","","- C18 H18 Fe O -","- C18 H17.35 Fe O -","- C72 H69.4 Fe4 O4 -","4","1","LI1034","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.","Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1993","49","5","967","971","10.1107/S0108270192011715","","","0.7093","MolybdenumKα","","0.04","0.025","","0.038","0.034","","","","","1.25","1.25","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2001712","7.8205","0.0004","11.0274","0.0004","11.7715","0.0006","105.707","0.004","106.128","0.005","102.403","0.004","891.45","0.09","293","","293","","","","","","","","","4","P -1","-P 1","2","Ferrocenyl(diphenyl)methanol","Ferrocenyl(diphenyl)methanol","","- C23 H20 Fe O -","- C23 H20 Fe O -","- C46 H40 Fe2 O2 -","2","1","LI1034","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.","Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1993","49","5","967","971","10.1107/S0108270192011715","","","0.7093","MolybdenumKα","","0.039","0.03","","0.05","0.049","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001713","13.2841","0.0006","23.2856","0.0012","18.8106","0.0008","90","","105.482","0.004","90","","5607.5","0.5","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ferrocene-1,1'-diylbis(diphenylmethanol)","Ferrocene-1,1'-diylbis(diphenylmethanol)","","- C36 H30 Fe O2 -","- C36 H30 Fe O2 -","- C288 H240 Fe8 O16 -","8","1","LI1034","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.","Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1993","49","5","967","971","10.1107/S0108270192011715","","","0.7093","MolybdenumKα","","0.06","0.036","","0.055","0.049","","","","","1.37","1.37","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2001714","16.164","0.002","14.747","0.001","8.3073","0.0006","90.86","0.07","112.82","0.06","108.74","0.08","1706.2","1.4","294","","294","","","","","","","","","3","P -1","-P 1","2","","Dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","2","BR1025","Pokkuluri, P. R.; Trotter, J.","Structure of dimethyl 9-methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","5","971","973","10.1107/S0108270192012022","","","1.54056","CopperKα","","","0.066","","","0.084","","","","","3","3","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2001715","13.698","0.004","8.944","0.004","16.67","0.01","90","","112.02","0.04","90","","1893.3","1.6","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H21 Cl6 N3 Te -","- C7 H21 Cl6 N3 Te -","- C28 H84 Cl24 N12 Te4 -","4","1","CR1030","Herrara, C.; Zingaro, R. A.; Meyers, E. A.","Structure of dimethylammonium <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidinium hexachlorotellurate(IV)","Acta Crystallographica Section C","1993","49","5","973","975","10.1107/S010827019201196X","","","0.71073","Mo","","","0.0766","","","0.0423","","","","","1.91","1.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001716","7.298","0.002","12.542","0.003","7.944","0.002","90","","116.05","0.02","90","","653.3","0.3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H6 Cl2 N2 Te2 -","- C10 H6 Cl2 N2 Te2 -","- C20 H12 Cl4 N4 Te4 -","2","0.5","CR1041","Junk, T.; Irgolic, K. J.; Meyers, E. A.","Bis(3-chloro-2-pyridyl) ditelluride","Acta Crystallographica Section C","1993","49","5","975","976","10.1107/S0108270192011983","","","0.71073","MoKα","","","0.0351","","","0.0577","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001717","11.086","0.002","11.086","0.002","14.367","0.004","90","","90","","120","","1529.1","0.6","","","","","","","","","","","","5","P 31 2 1","P 31 2""","","","","","- C21 H29 Cl N2 O -","- C21 H29 Cl N2 O -","- C63 H87 Cl3 N6 O3 -","3","0.5","LI1010","Marsh, R. E.","On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine","Acta Crystallographica Section C","1993","49","1","193","","10.1107/S0108270192005201","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","191091","2020-10-21","18:00:00",""
"2001718","6.104","0.001","8.933","0.003","16.062","0.003","90","","90","","90","","875.8","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C6 H11 N O5 S -","- C6 H11 N O5 S -","- C24 H44 N4 O20 S4 -","4","1","HE1003","Portalone, G.; Cassetta, A.; Pagani Zecchini, G.; Torrini, I.","(3<i>R</i>,5<i>R</i>)-Tetrahydro-2<i>H</i>-1,4-thiazine-3,5-dicarboxylic acid monohydrate","Acta Crystallographica Section C","1993","49","5","976","978","10.1107/S0108270192011181","","","1.54184","Cu","","","0.0511","","","0.069","","","","","0.214","0.214","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001719","10.745","0.005","11.435","0.005","13.003","0.006","90","","90","","90","","1597.7","1.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","KA1013","Ribár, B.; Kapor, A.; Gašić, O.; Kanyó, I.; Engel, P.","Structure of sinoacutine","Acta Crystallographica Section C","1993","49","5","978","980","10.1107/S0108270192011417","","","0.7107","MoKα","","","0.057","","","","","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001720","5.0846","0.0002","27.374","0.001","7.4008","0.0003","90","","109.528","0.003","90","","970.83","0.07","138","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","ST1027","Xiao, G.; van der Helm, D.; Hider, R. C.; Dobbin, P. S.","3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione","Acta Crystallographica Section C","1993","49","5","980","982","10.1107/S0108270192010928","","","1.54178","CuKα","","","0.039","","","0.059","","","","","2.6","2.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001721","7.521","0.001","10.872","0.002","22.901","0.003","90","","90","","90","","1872.6","0.5","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","LI1028","Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R.","Structure of 2,4-bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","1993","49","5","983","985","10.1107/S0108270192011375","","","1.5418","CuKα","","","0.059","","","0.05","","","","","1.87","1.87","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2001722","7.742","0.002","8.886","0.002","13.101","0.003","97.39","0.02","94.35","0.02","91.42","0.02","890.7","0.4","105","","105","","","","","","","","","4","P -1","-P 1","2","Muscarine picrate","(±)-(2S,4R,5S)-tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanaminium picrate","","- C15 H22 N4 O9 -","- C15 H22 N4 O9 -","- C30 H44 N8 O18 -","2","1","AB1045","Frydenvang, K.; Jensen, B.","Structures of muscarine picrate and muscarine tetraphenylborate","Acta Crystallographica Section C","1993","49","5","985","990","10.1107/S0108270192012198","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.484","1.484","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001723","9.936","0.002","30.21","0.005","9.771","0.001","90","","111.34","0.01","90","","2731.8","0.8","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Muscarine tetraphenylborate","(±)-(2S,4R,5S)-tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanaminium tetraphenylborate","","- C33 H40 B N O2 -","- C34 B N O2 -","- C136 B4 N4 O8 -","4","1","AB1045","Frydenvang, K.; Jensen, B.","Structures of muscarine picrate and muscarine tetraphenylborate","Acta Crystallographica Section C","1993","49","5","985","990","10.1107/S0108270192012198","","","0.71073","MoKα","","","0.13","","","0.127","","","","","2.885","2.885","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001724","8.054","0.003","16.013","0.01","7.48","0.003","90","","111.28","0.03","90","","898.9","0.8","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C7 H2 Br2 O4 -","- C7 H2 Br2 O4 -","- C28 H8 Br8 O16 -","4","1","MU1003","Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J.","Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~","Acta Crystallographica Section C","1993","49","5","990","992","10.1107/S0108270192011454","","","1.54178","CuKα","","","0.0525","","","0.0623","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001725","7.35","0.004","19.906","0.01","6.726","0.005","93.93","0.06","109.1","0.06","87.59","0.05","927.5","1","152","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Br O4 Si -","- C17 H21 Br O4 Si -","- C34 H42 Br2 O8 Si2 -","2","1","BR1021","Parvez, M.; Yu, S.; Keay, B. A.","<i>p</i>-Bromobenzoate derivative of 3-(<i>tert</i>-butyldimethylsilyl)-5-hydroxy-2(5<i>H</i>)-furanone","Acta Crystallographica Section C","1993","49","5","992","993","10.1107/S010827019201165X","","","0.71069","MoKα","","","0.048","","","0.033","","","","","3.49","3.49","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001726","11.962","0.002","20.917","0.004","7.624","0.002","90","","90","","90","","1907.6","0.7","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H19 N3 O9 -","- C18 H19 N3 O9 -","- C72 H76 N12 O36 -","4","1","AS1024","Ogawa, T.; Matsumoto, K.; Yokoo, C.; Hatayama, K.; Kitamura, K.","Structure of methyl 2-(nitrooxy)ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","Acta Crystallographica Section C","1993","49","5","993","996","10.1107/S0108270192012447","","","1.5418","CuKα","","","0.031","","","0.052","","","","","2.55","2.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001727","11.562","0.002","9.9784","0.0009","9.6781","0.0009","90","","90","","90","","1116.6","0.2","296","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C13 H18 O3 -","- C13 H17 O3 -","- C52 H68 O12 -","4","1","CR1036","Mague, J. T.; Ensley, H. E.; Chen, G.","Structure of the epoxide of a tricyclic lactone","Acta Crystallographica Section C","1993","49","5","996","998","10.1107/S0108270192011971","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001728","21.693","0.006","5.762","0.002","16.404","0.004","90","","107.05","0.02","90","","1960.3","1","301","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C17 H24 N4 O4 -","- C17 H24 N4 O4 -","- C68 H96 N16 O16 -","4","1","HH1014","Newkome, G. R.; Weis, C. D.; Lin, X.; Fronczek, F. R.","5,5-Bis(4-cyano-2-oxabutyl)-1,9-dicyano-3,7-dioxanonane","Acta Crystallographica Section C","1993","49","5","998","1000","10.1107/S0108270192012307","","","1.54184","CuKα","","","0.067","","","0.081","","","","","3.504","3.504","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001729","17.696","0.004","10.36","0.002","8.733","0.001","90","","93.47","0.02","90","","1598.1","0.5","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C14 H20 O8 -","- C14 H19 O8 -","- C56 H76 O32 -","4","1","BR1022","Jiang, A.; Hong, L.; See, R. F.; Churchill, M. R.","Structure of a hexasubstituted 1,3-dioxane compound derived from Meldrum's acid: C~4~O~4~(CH~3~)~2~(CH~2~CO~2~C~2~H~5~)~2~","Acta Crystallographica Section C","1993","49","5","1000","1001","10.1107/S0108270192011703","","","0.71073","MoKα","","","","","","","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001730","10.205","0.001","10.205","0.001","32.229","0.01","90","","90","","90","","3356.4","1.1","297","","","","","","","","","","","2","I 4 1/a (origin at -1)","-I 4ad","","","","","- C22 H26 -","- C22 H26 -","- C176 H208 -","8","","AB1030","Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.","Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl","Acta Crystallographica Section C","1993","49","5","1002","1007","10.1107/S0108270192011314","","","0.71073","MoKα","","","0.599","","","0.485","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001731","17.306","0.009","6.499","0.003","16.596","0.011","90","","102.29","0.05","90","","1823.8","1.8","298","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","","","","","- C24 H30 -","- C24 H30 -","- C96 H120 -","4","0.5","AB1030","Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.","Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl","Acta Crystallographica Section C","1993","49","5","1002","1007","10.1107/S0108270192011314","","","0.71073","MoKα","","","0.0368","","","0.0438","","","","","0.64","0.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001732","20.841","0.013","20.805","0.016","19.27","0.02","90","","104.25","0.06","90","","8098","12","298","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","","","","","- C26 H34 -","- C26 H34 -","- C416 H544 -","16","2","AB1030","Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.","Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl","Acta Crystallographica Section C","1993","49","5","1002","1007","10.1107/S0108270192011314","","","0.71073","MoKα","","","0.0713","","","0.089","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001733","8.1456","0.0019","10.83","0.003","6.0122","0.001","103.99","0.019","97.88","0.013","80.76","0.013","505.3","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,4-bis(4'-chlorobenzoyl)-2,3,5,6-tetramethylbenzene","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","1","0.5","MU1021","Ferguson, G.; Patterson, K. H.; Smith, D. M.","1,4-Bis(4-chlorobenzoyl)-2,3,5,6-tetramethylbenzene","Acta Crystallographica Section C","1993","49","1","190","192","10.1107/S0108270192010539","","","0.7093","MoKα","","0.052","0.04","","0.067","0.065","","","","","1.89","1.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001734","8.107","0.001","9.482","0.002","15.64","0.01","90","","90","","97.73","0.02","1191.3","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C6.5 H7 N O -","- C26 H28 N4 O4 -","4","2","PA0282","Jaulmes, S.; Dugué, J.; Agafonov, V.; Céolin, R.; Cense, J. M.; Lepage, F.","Structure of <i>N</i>-(2,6-dimethylphenyl)-5-methylisoxazole-3-carboxamide and molecular-orbital study of C‒H ... O bonded dimers","Acta Crystallographica Section C","1993","49","5","1007","1011","10.1107/S0108270192011338","","","0.7107","MoKα","","","0.044","","","0.042","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001735","7.492","0.003","7.505","0.005","9.502","0.003","90","","109.02","0.03","90","","505.1","0.4","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","1","DU1007","Gourdon, A.","3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine","Acta Crystallographica Section C","1993","49","5","1011","1013","10.1107/S0108270192012460","","","0.71069","MoKα","","","0.051","","","0.043","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001736","7","0.004","16.853","0.009","3.8986","0.0007","90","","90","","90","","459.9","0.4","300","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C20 H20 N8 -","2","0.5","DU1007","Gourdon, A.","3,3'-Dimethyl-4,4'-bipyridine and 5,5'-dimethyl-4,4'-bipyrimidine","Acta Crystallographica Section C","1993","49","5","1011","1013","10.1107/S0108270192012460","","","0.71069","MoKα","","","0.026","","","0.026","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001737","11.953","0.003","7.116","0.001","17.626","0.004","90","","108.95","0.02","90","","1418","0.5","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Benzylideneanthrone","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","HH1020","Ghosh, R.; Lynch, V. M.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M.","Structure of an overcrowded molecule, benzylideneanthrone, at 193 K","Acta Crystallographica Section C","1993","49","5","1013","1015","10.1107/S0108270192012356","","","0.71073","MoKα","","0.1049","0.0541","","0.075","0.0592","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001738","12.135","0.002","13.572","0.001","8.75","0.001","90","","118.37","0.01","90","","1268","0.3","293","","","","","","","","","","","6","C 1 c 1","C -2yc","","","","","- C10 H10 Cl N3 O2 S -","- C10 H10 Cl N3 O2 S -","- C40 H40 Cl4 N12 O8 S4 -","4","1","LI1029","Iulek, J.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C.","Structures of pyrazole derivatives. II. A potential bioisoster of acetazolamide","Acta Crystallographica Section C","1993","49","5","1015","1017","10.1107/S0108270192011090","","","0.70926","MoKα","","","0.043","","","0.044","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001739","10.951","0.005","12.269","0.003","11.754","0.004","90","","90","","90","","1579.2","1","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br P -","- C18 H16 Br P -","- C72 H64 Br4 P4 -","4","0.5","HA1023","Bricklebank, N.; Godfrey, S. M.; McAuliffe, C. A.; Pritchard, R. G.","Triphenylphosphonium bromide","Acta Crystallographica Section C","1993","49","5","1017","1018","10.1107/S0108270192013052","","","0.7107","MoKα","","","0.052","","","0.0562","","","","","1.278","1.278","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001740","5.2049","0.0009","23.375","0.004","13.155","0.003","90","","90","","90","","1600.5","0.5","122","","122","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Methyl-1-hydroxyurea","","- C2 H6 N2 O2 -","- C2 H6 N2 O S -","- C32 H96 N32 O16 S16 -","16","1","AB1049","Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.","Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea","Acta Crystallographica Section C","1993","49","5","1018","1022","10.1107/S0108270192012551","","","0.71073","MoKα","","","0.029","","","0.037","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001741","8.202","0.001","7.081","0.001","7.316","0.001","90","","101.378","0.009","90","","416.55","0.1","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-hydroxyurea","","- C2 H6 N2 O2 -","- C2 H6 N2 O2 -","- C8 H24 N8 O8 -","4","1","AB1049","Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.","Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea","Acta Crystallographica Section C","1993","49","5","1018","1022","10.1107/S0108270192012551","","","1.5418","CopperKα","","","0.046","","","0.066","","","","","1.498","1.498","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001742","37.363","0.006","10.7689","0.0011","9.8091","0.0011","90","","95.929","0.011","90","","3925.7","0.9","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C48 H44 N4 O4 -","- C48 H44 N4 O4 -","- C192 H176 N16 O16 -","4","0.5","CD1021","Newkome, G. R.; Rogers, L. E.; Fronczek, F. R.","<i>N</i>,<i>N</i>'-Dibenzylethylenediamineterphthalate dimer","Acta Crystallographica Section C","1993","49","5","1022","1024","10.1107/S0108270192012964","","","1.54184","CuKα","","","0.072","","","0.06","","","","","2.046","2.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001743","7.7744","0.0006","9.1759","0.0006","10.429","0.0013","74.986","0.008","81.999","0.008","77.091","0.006","697.8","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,6-bis(methanephosphonic acid)-4-methylphenol 'C9 H14 O7 P2 ,2H2 O '","","- C9 H18 O9 P2 -","- C9 H21 O9 P2 -","- C18 H42 O18 P4 -","2","1","BR1012","Ferguson, G.; Gallagher, J. F.; Vogt, W.; Phillips, J.; Williams, G. J. B.","4-Methyl-2,6-bis(phosphonomethyl)phenol dihydrate","Acta Crystallographica Section C","1993","49","5","1024","1026","10.1107/S0108270192011685","","","0.7093","MolybdenumKα","","0.047","0.045","","0.068","0.067","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001744","17.721","0.004","10.062","0.002","17.284","0.003","90","","93.19","0.02","90","","3077.1","1.1","153","1","153","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8,8-Bis(2,4,6-tris(trifluoromethyl)thiophenolat) -3,5-trifluoromethyl-7-thia-benzocyclobutene","","- C27 H6 F24 S3 -","- C27 H6 F24 S3 -","- C108 H24 F96 S12 -","4","1","SH1032","Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M.","Structure of 4,6-bis(trifluoromethyl)-2,2-bis[2,4,6-tris(trifluoromethyl)phenylthio]-1-thiabenzocyclobutene","Acta Crystallographica Section C","1993","49","5","1026","1028","10.1107/S0108270192012526","","","0.71073","MoKα","","0.0602","0.0465","","0.1254","0.1061","","","","1.067","1.061","1.061","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2001745","9.028","0.001","11.069","0.002","23.465","0.002","90","","102.12","0.01","90","","2292.6","0.5","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22.5 H24 Br Cl O6 -","- C22.5 H24 Br Cl O6 -","- C90 H96 Br4 Cl4 O24 -","4","2","HU1024","Clark, G. R.","Structure of a bromine derivative of isostegane","Acta Crystallographica Section C","1993","49","5","1028","1031","10.1107/S0108270192012654","","","0.71069","Mo","","","0.063","","","0.067","","","","","3.06","3.06","","","","","has coordinates","202206","2020-10-21","18:00:00",""
"2001746","5.769","0.003","8.793","0.003","15.695","0.006","90","","90","","90","","796.2","0.6","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2'-Thienyl)pyridine","","- C9 H7 N S -","- C9 H7 N S -","- C36 H28 N4 S4 -","4","1","ST1039","Ghosh, R.; Simonsen, S. H.","Structure of 2-(2'-thienyl)pyridine at 193 K","Acta Crystallographica Section C","1993","49","5","1031","1032","10.1107/S0108270192011867","","","0.71073","MoKα","","0.0381","0.0349","","0.0509","0.0499","","","","1.9195","1.9613","1.9613","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001747","7.059","0.001","7.436","0.002","24.572","0.007","86.25","0.02","88.85","0.02","88.62","0.02","1286.4","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H45 N O4 -","- C24 H45 N O4 -","- C48 H90 N2 O8 -","2","1","HL1018","Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C.","Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2)","Acta Crystallographica Section C","1993","49","5","1032","1035","10.1107/S0108270192012988","","","0.71073","MoKα","","","0.042","","","0.061","","","","","0.77","0.77","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001748","7.055","0.001","7.45","0.001","26.389","0.007","93.29","0.03","92.92","0.02","93.35","0.02","1380.3","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H49 N O4 -","- C26 H49 N O4 -","- C52 H98 N2 O8 -","2","1","HL1018","Koh, L. L.; Xu, Y.; Gan, L. M.; Chew, C. H.; Lee, K. C.","Structures of tetradecyltrimethylammonium salicylate monohydrate (1) and hexadecyltrimethylammonium salicylate monohydrate (2)","Acta Crystallographica Section C","1993","49","5","1032","1035","10.1107/S0108270192012988","","","0.71073","MoKα","","","0.059","","","0.067","","","","","1.6","1.6","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001749","13.885","0.002","5.8864","0.0006","21.624","0.002","90","","93.25","0.008","90","","1764.5","0.4","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","","","- C6 H8 Cd Cl O3 P -","- C6 H8 Cd Cl O3 P -","- C48 H64 Cd8 Cl8 O24 P8 -","8","1","HH1056","Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.","Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands","Acta Crystallographica Section C","1993","49","5","1035","1036","10.1107/S0108270193001234","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001750","13.576","0.004","9.077","0.004","5.543","0.003","90","0.02","91.47","0.01","90","0.01","682.8","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B5 H2 Li O9 -","- B5 H2 Li O9 -","- B20 H8 Li4 O36 -","4","1","MU0290","Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K.","Structure of lithium <i>catena</i>-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]","Acta Crystallographica Section C","1993","49","4","645","647","10.1107/S0108270192008217","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001751","5.167","0.002","3.756","0.002","17.16","0.002","90","","98.12","0.02","90","","329.7","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Be Ca O5 -","- B2 Be Ca O5 -","- B8 Be4 Ca4 O20 -","4","1","ST0579","Schaffers, K. I.; Keszler, D. A.","Alkaline-earth beryllium borate CaBeB~2~O~5~","Acta Crystallographica Section C","1993","49","4","647","650","10.1107/S0108270192006371","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001752","6.0126","0.0002","6.2138","0.0002","8.6139","0.0003","90","","90.239","0.002","90","","321.822","0.019","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- O6 Sr3 U -","- O6 Sr3 U -","- O12 Sr6 U2 -","2","0.5","MU0289","IJdo, D. J. W.","Redetermination of tristrontium uranate(VI). A Rietveld refinement of neutron powder diffraction data","Acta Crystallographica Section C","1993","49","4","650","652","10.1107/S0108270192010849","","neutron","2.57155","Neutron","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001753","8.4562","0.0001","8.4562","0.0001","17.0002","0.0004","90","","90","","90","","1215.64","0.04","","","","","","","","","","","","4","I 4/m m m","","","","","","- Ba2 Ce O6 Sb -","- Ba2 Ce0.75 O6 Sb -","- Ba16 Ce6 O48 Sb8 -","8","0.25","MU0294","IJdo, D. J. W.; Helmholdt, R. B.","Ba~2~Ce~3/4~SbO~6~, a Rietveld refinement of neutron powder diffraction data","Acta Crystallographica Section C","1993","49","4","652","654","10.1107/S0108270192010850","","neutron","2.5717","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001754","28.459","0.001","8.379","0.0003","6.765","0.0003","90","","90","","90","","1613.17","0.11","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- O36 Pb3 U11 -","- O64 Pb8 U24 -","- O128 Pb16 U48 -","2","0.25","MU1002","IJdo, D. J. W.","Pb~3~U~11~O~36~, a Rietveld refinement of neutron powder diffraction data","Acta Crystallographica Section C","1993","49","4","654","656","10.1107/S0108270192010874","","","2.57","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2001755","8.654","0.0003","8.6481","0.0003","12.2336","0.0005","90","","90","","90","","915.57","0.06","","","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- B7 Fe3 I O13 -","- B7 Fe3 I O13 -","- B28 Fe12 I4 O52 -","4","1","SH0017","Kubel, F.; Janner, A.-M.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I","Acta Crystallographica Section C","1993","49","4","657","659","10.1107/S0108270192010643","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001756","13.45","0.003","13.398","0.005","13.357","0.004","90","","99.92","0.01","90","","2371","1.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- Ce16 Mo21 O56 -","- Ce16 Mo21 O56 -","- Ce32 Mo42 O112 -","2","0.5","DU1018","Gall, P.; Gougeon, P.","Structure of Ce~16~Mo~21~O~56~ containing single Mo atoms and isolated Mo~10~ clusters","Acta Crystallographica Section C","1993","49","4","659","663","10.1107/S0108270192011533","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001757","11.085","0.001","15.647","0.001","15.167","0.002","90","","109.94","0.01","90","","2473","0.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 Cl4 O5 Ru2 S5 -","- C10 H30 Cl4 O5 Ru2 S5 -","- C40 H120 Cl16 O20 Ru8 S20 -","4","1","NA1015","Calligaris, M.; Faleschini, P.; Alessio, E.","Structure of [Ru~2~Cl~4~(Me~2~SO)~5~]","Acta Crystallographica Section C","1993","49","4","663","666","10.1107/S0108270192011557","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001758","7.161","0.003","18.945","0.003","13.949","0.004","90","","103.47","0.01","90","","1840.3","1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C13 H23 Cl N4 Ni O6 -","- C13 H23 Cl N4 Ni O9 -","- C52 H92 Cl4 N16 Ni4 O36 -","4","1","AS1016","Lu, T.-H.; Tseng, F.; Luh, H.; Chung, C.-S.","Structure of a nickel(II) complex of the deprotonated anion of 3,6,6,9-tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioxime","Acta Crystallographica Section C","1993","49","4","666","668","10.1107/S0108270192009880","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001759","10.131","0.001","6.1431","0.0008","26.081","0.005","90","","98.01","0.01","90","","1607.3","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl4 N2 Ni -","- C10 H24 Cl4 N2 Ni -","- C40 H96 Cl16 N8 Ni4 -","4","1","ST0567","Bond, M. R.; Willett, R. D.","Structure of dipiperidinium <i>catena</i>-poly[nickel-tri-μ-chloro(1–)] chloride","Acta Crystallographica Section C","1993","49","4","668","671","10.1107/S0108270192008837","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","278324","2022-10-03","14:41:53",""
"2001760","9.344","0.003","19.17","0.05","12.604","0.004","90","","90.13","0.02","90","","2258","6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I O4 P Re -","- C22 H15 I O4 P Re -","- C88 H60 I4 O16 P4 Re4 -","4","1","HU0414","Ingham, W. L.; Billing, D. G.; Levendis, D. C.; Coville, N. J.","Structure of <i>trans</i>-[Re(CO)~4~(PPh~3~)I]","Acta Crystallographica Section C","1993","49","4","671","674","10.1107/S010827019200934X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001761","11.01","0.003","10.791","0.003","8.356","0.002","83.56","0.02","86.11","0.02","64.67","0.02","891.4","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl Cu N3 O6 -","- C17 H15 Cl Cu N3 O6 -","- C34 H30 Cl2 Cu2 N6 O12 -","2","1","AL0532","Muñoz, M. C.; Ruiz, R.; Julve, M.; Lloret, F.; Solans, X.","Synthesis and structure of (acetato-<i>O</i>,<i>O'</i>)(perchlorato-<i>O</i>)(2,2':6'2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)","Acta Crystallographica Section C","1993","49","4","674","677","10.1107/S0108270192004505","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001762","11.301","0.004","11.301","0.004","11.301","0.004","52.93","0.03","52.93","0.03","52.93","0.03","851.4","0.7","","","","","","","","","","","","4","R -3","-P 3*","","","","","- C26 H54 O6 W2 -","- C26 O6 W2 -","- C26 O6 W2 -","1","","CR0421","Gilbert, T. M.; Rogers, R. D.","Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne","Acta Crystallographica Section C","1993","49","4","677","680","10.1107/S0108270192010813","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001763","8.344","0.001","9.387","0.001","12.527","0.002","97.27","0.01","101.18","0.01","110.79","0.01","879.2","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 Fe P -","- C22 H19 Fe P -","- C44 H38 Fe2 P2 -","2","1","AS1023","Adeleke, J. A.; Liu, L.-K.","Diphenylphosphinoferrocene","Acta Crystallographica Section C","1993","49","4","680","682","10.1107/S0108270192010436","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001764","9.972","0.001","8.308","0.001","17.01","0.002","90","","97.371","0.004","90","","1397.6","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H15 Fe N3 -","- C16 H15 Fe N3 -","- C64 H60 Fe4 N12 -","4","1","HU1007","Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E.","Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde","Acta Crystallographica Section C","1993","49","4","682","684","10.1107/S0108270192009363","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001765","10.59","0.007","17.606","0.006","8.493","0.003","90.1","0.03","102.22","0.05","106.85","0.04","1477.8","1.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H30 Cl5 N O3 Pt Te2 -","- C21 H28 Cl5 N O3 Pt Te2 -","- C42 H56 Cl10 N2 O6 Pt2 Te4 -","2","1","BR1001","Drake, J. E.; Bailey, J. H. E.; Singh, A. K.; Srivastava, V.","{Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-<i>N</i>,<i>Te</i>,<i>Te</i>'}chloroplatinum(II) chloride trichloromethane monohydrate","Acta Crystallographica Section C","1993","49","4","684","687","10.1107/S0108270192005961","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001766","11.463","0.003","18.641","0.006","15.762","0.005","90","","103.42","0.02","90","","3276.1","1.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 Cl2 P -","- C40 H35 Cl2 P -","- C160 H140 Cl8 P4 -","4","1","HU1004","Schumann, H.; Görlitz, F. H.; Schäfers, M.","Structure of dichloro(pentabenzylcyclopentadienyl)phosphine","Acta Crystallographica Section C","1993","49","4","688","690","10.1107/S0108270192009351","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001767","10.542","0.002","6.411","0.001","13.105","0.004","90","","106.47","0.02","90","","849.4","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 B N O6 -","- C7 H6 B N O6 -","- C28 H24 B4 N4 O24 -","4","1","ST0552","Soundararajan, S.; Duesler, E. N.; Hageman, J. H.","Structure of 4-carboxy-2-nitrobenzeneboronic acid","Acta Crystallographica Section C","1993","49","4","690","693","10.1107/S0108270192010916","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001768","6.9559","0.0004","9.913","0.0006","7.3045","0.0004","90","","119.41","0.04","90","","438.76","0.18","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N3 O2 -","- C3 H3 N3 O2 -","- C12 H12 N12 O8 -","4","1","HH1003","De Bondt, H. L.; Ragia, E.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","Structure of 4(5)-nitroimidazole at 100 K","Acta Crystallographica Section C","1993","49","4","693","695","10.1107/S0108270192011326","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001769","14.86","0.005","4.85","0.002","8.221","0.004","90","","105.58","0.04","90","","570.7","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 O6 P -","- C2 H5 O6 P -","- C8 H20 O24 P4 -","4","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001770","10.57","0.006","4.588","0.003","7.935","0.004","90","","126.92","0.04","90","","307.6","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 K O6 P -","- C2 H4 K O6 P -","- C4 H8 K2 O12 P2 -","2","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001771","9.782","0.006","5.366","0.003","11.175","0.009","90","","91.39","0.06","90","","586.4","0.7","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","","","","","- C2 H4 Na O6 P -","- C2 H4 Na O6 P -","- C8 H16 Na4 O24 P4 -","4","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001772","8.643","0.006","9.013","0.007","9.907","0.007","113.97","0.06","95.41","0.06","95.01","0.06","695.3","1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 K3 O12 P2 -","- C4 H7 K3 O12 P2 -","- C8 H14 K6 O24 P4 -","2","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001773","10.52","0.006","13.442","0.006","8.996","0.005","90","","90","","90","","1272.1","1.2","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C2 H4 Na2 O7 P -","- C2 H4 Na2 O6.5 P -","- C16 H32 Na16 O52 P8 -","8","2","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001774","6.96","0.004","17.793","0.012","13.151","0.009","90","","96.88","0.05","90","","1616.9","1.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 H13 Na5 O16 P2 -","- C4 H13 Na5 O16 P2 -","- C16 H52 Na20 O64 P8 -","4","0.5","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001775","10.617","0.009","6.977","0.008","27.65","0.02","90","","90","","90","","2048","3","","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C2 H10 Na3 O10 P -","- C2 H8 Na3 O11 P -","- C16 H64 Na24 O88 P8 -","8","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","1.5618","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001776","6.243","0.006","26.08","0.02","6.763","0.007","90","","115.29","0.09","90","","995.6","1.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Na3 O10 P -","- C2 H10 Na3 O10 P -","- C8 H40 Na12 O40 P4 -","4","1","MU1010","Lis, T.","Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O","Acta Crystallographica Section C","1993","49","4","696","705","10.1107/S0108270192010758","","","1.54118","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001777","10.832","0.004","24.89","0.013","13.924","0.002","90","","111.88","0.02","90","","3484","2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C14 H20 B10 -","- C14 H20 B10 -","- C112 H160 B80 -","8","2","MU1026","Lewis, Z. G.; Welch, A. J.","Structure of 1,2-diphenylcarbaborane, 1,2-Ph~2~-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1993","49","4","705","710","10.1107/S0108270192012125","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001778","11.014","0.004","11.03","0.007","12.333","0.006","67.83","0.05","80.78","0.04","60.2","0.05","1203.3","1.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 B9 N -","- C25 H20 B9 N -","- C50 H40 B18 N2 -","2","1","MU1027","Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.","Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{–^}","Acta Crystallographica Section C","1993","49","4","710","714","10.1107/S0108270192012137","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001779","10.751","0.004","21.662","0.004","11.975","0.003","90","","106.59","0.02","90","","2672.7","1.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B9 N -","- C24 H36 B9 N -","- C96 H144 B36 N4 -","4","1","MU1027","Cowie, J.; Donohoe, D. J.; Douek, N. L.; Welch, A. J.","Structures of [HNEt~3~]^+^ and [Me~3~NCH~2~C~6~H~5~]^+^ salts of [7,8-Ph~2~-7,8-<i>nido</i>-C~2~B~9~H~10~]^{–^}","Acta Crystallographica Section C","1993","49","4","710","714","10.1107/S0108270192012137","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001780","10.9534","0.0015","13.274","0.003","11.5283","0.0017","90","","90.074","0.012","90","","1676.2","0.5","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 B9 Cl2 Hg P -","- C33 H33 B9 Cl2 Hg P -","- C66 H66 B18 Cl4 Hg2 P2 -","2","1","MU1028","Lewis, Z. G.; Welch, A. J.","Structure of 7,8-Ph~2~-10-<i>endo</i>-PPh~3~Hg-7,8-<i>nido</i>-C~2~B~9~H~9~ methylene chloride solvate","Acta Crystallographica Section C","1993","49","4","715","718","10.1107/S0108270192012149","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001781","8.539","0.004","15.564","0.007","18.768","0.01","90.97","0.03","95.25","0.03","102.24","0.03","2426","2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl2 O4 P -","- C26 H21 Cl2 O4 P -","- C104 H84 Cl8 O16 P4 -","4","2","HL1016","Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.","Molecular co-crystals of carboxylic acids. 11. Structure of the 1:1 adduct of triphenylphosphine oxide with (3,4-dichlorophenoxy)acetic acid","Acta Crystallographica Section C","1993","49","4","718","721","10.1107/S0108270192011193","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001782","8.654","0.002","6.428","0.001","21.032","0.003","90","","95.7","0.2","90","","1164.2","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O3 -","- C25 H43 N O3 -","- C50 H86 N2 O6 -","2","1","AB1023","Palmer, R. A.; Palmer, H. T.; Lisgarten, J. N.; Lancaster, R.","Polymorphism in dethoxyprone, a steroidal anaesthetic. I. Structure of 11α-dimethylamino-2β-ethoxy-3α-hydroxy-5α-pregnan-20-one (dethoxyprone form I)","Acta Crystallographica Section C","1993","49","4","721","723","10.1107/S0108270192009028","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001783","13.4077","0.0003","12.6064","0.0003","19.0523","0.0006","90","","98.392","0.002","90","","3185.79","0.15","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 -","- C11 H16 N2 -","- C132 H192 N24 -","12","6","AL1008","Llamas-Saiz, A. L.; Foces-Foces, C.; Sobrados, I.; Elguero, J.; Meutermans, W.","(4<i>S</i>,7<i>R</i>)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1<i>H</i>(2<i>H</i>)-indazole (campho[2,3-<i>c</i>]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state","Acta Crystallographica Section C","1993","49","4","724","729","10.1107/S0108270192010187","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001784","7.407","0.002","14.442","0.003","17.696","0.003","90","","90","","90","","1893","0.7","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","CD1002","Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R.","Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate","Acta Crystallographica Section C","1993","49","4","729","731","10.1107/S0108270192009181","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2001785","8.5","0.004","14.271","0.007","12.758","0.006","90","","91.97","0.02","90","","1546.7","1.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","AL1020","Ashkenazi, P.; Kaftory, M.","Structures of Diels‒Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","4","731","735","10.1107/S0108270192012253","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001786","6.421","0.003","10.872","0.005","10.564","0.005","90","","91.05","0.02","90","","737.3","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C32 H30 N6 O8 -","2","1","AL1020","Ashkenazi, P.; Kaftory, M.","Structures of Diels‒Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","4","731","735","10.1107/S0108270192012253","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001787","26.027","0.013","10.155","0.005","6.147","0.003","96.99","0.03","93.58","0.03","92.64","0.03","1607.1","1.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","2","AL1020","Ashkenazi, P.; Kaftory, M.","Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene","Acta Crystallographica Section C","1993","49","4","731","735","10.1107/S0108270192012253","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001788","9.808","0.004","8.78","0.005","17.248","0.006","90","","101.7","0.04","90","","1454.4","1.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","DU1008","Reboul, J. P.; Pèpe, G.; Siri, D.; Oddon, Y.; Caranoni, C.; Rahal, H.; Soyfer, J. C.; Barbe, J.","2,2'-Bis(acetamido)biphenyl","Acta Crystallographica Section C","1993","49","4","735","738","10.1107/S0108270192009910","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001789","6.9196","0.0005","7.673","0.008","18.554","0.001","90","","92.547","0.006","90","","984.1","1","","","","","","","","","","","","4","P 1 21 1","","","","","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C34 H38 N10 O16 -","2","1","CD0068","Metzger, R. M.; Atwood, J. L.; Lee, W.-J.; Rao, S. M.; Lal, R. B.; Loo, B. H.","Structure of MAP:MNA, the 1:1 adduct between (<i>R</i>)-methyl 2-(2,4-dinitroanilino)propanoate (MAP) and 2-methyl-4-nitroaniline (MNA), a new nonlinear optical crystal","Acta Crystallographica Section C","1993","49","4","738","741","10.1107/S0108270192004530","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001790","7.845","0.001","6.462","0.003","18.92","0.004","90","","93.18","0.02","90","","957.7","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 O5 -","- C8 H6 N4 O5 -","- C32 H24 N16 O20 -","4","1","NA1016","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Structure and crystal packing of the antibacterial drug 1-{[(5-nitro-2-furanyl)methylene]amino}-2,4-imidazolidinedione (nitrofurantoin)","Acta Crystallographica Section C","1993","49","4","741","744","10.1107/S010827019201062X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001791","7.426","0.001","28.301","0.001","5.227","0.001","92.58","0.01","99.18","0.01","92.56","0.01","1081.9","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H40 Cl N O -","- C21 H40 Cl N O -","- C42 H80 Cl2 N2 O2 -","2","1","SH1012","Paradies, H. H.; Habben, F.","Structure of <i>N</i>-hexadecylpyridinium chloride monohydrate","Acta Crystallographica Section C","1993","49","4","744","747","10.1107/S010827019201179X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001792","9.564","0.002","11.305","0.001","20.389","0.003","90","","91.27","0.01","90","","2203.9","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","HA1001","Akkurt, M.; Hiller, W.","Structure of 5-benzoyl-1-[4-(dimethylamino)phenylmethyleneamino]-4-phenyl-1<i>H</i>-pyrimidin-2-one","Acta Crystallographica Section C","1993","49","4","747","749","10.1107/S0108270192005651","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001793","9.12","0.005","9.157","0.005","17.505","0.004","90","","90","","123.98","0.03","1212.2","1.1","","","","","","","","","","","","7","P 1 1 21/a","-P 2ac","14","","","","- C4 H10 Br3 K O Pt S -","- C4 H10 Br3 K O Pt S -","- C16 H40 Br12 K4 O4 Pt4 S4 -","4","1","VS1000","Belsky, V. K.; Konovalov, V. E.; Kukushkin, V. Yu.","Structure of potassium tribromo(diethyl sulfoxide)platinate(II)","Acta Crystallographica Section C","1993","49","4","751","752","10.1107/S0108270192008308","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208448","2020-10-21","18:00:00",""
"2001794","7.984","0.002","16.019","0.002","10.172","0.002","90","","94.27","0.01","90","","1297.3","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl2 O4 Sn -","- C8 H14 Cl2 O4 Sn -","- C32 H56 Cl8 O16 Sn4 -","4","1","OH1001","Ng, S. W.","Structure of bis(2-methoxycarbonylethyl-<i>C</i>',<i>O</i>)tin dichloride","Acta Crystallographica Section C","1993","49","4","753","754","10.1107/S0108270192008862","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001795","12.1759","0.0007","12.8661","0.0009","14.3293","0.0009","79.041","0.005","71.665","0.005","69.467","0.005","1987.4","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H82 N2 O10 Sn4 -","- C86 H82 N2 O10 Sn4 -","- C86 H82 N2 O10 Sn4 -","1","0.5","OH1002","Ng, S. W.; Kumar Das, V. G.","Structure of bis(triphenyltin) succinate‒[bis(triphenyltin) succinate bis(<i>N</i>,<i>N</i>-dimethylformamide)] (1/1)","Acta Crystallographica Section C","1993","49","4","754","756","10.1107/S0108270192008874","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001796","16.28","0.003","17.204","0.003","17.738","0.004","90","","101.42","0.02","90","","4869.7","1.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C32 H72 Mo6 N2 O19 -","- C32 H72 Mo6 N2 O19 -","- C128 H288 Mo24 N8 O76 -","4","0.5","HH1016","Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Maatta, E. A.","Bis(tetrabutylammonium) nonadecaoxohexamolybdenum(VI): a second polymorph","Acta Crystallographica Section C","1993","49","4","756","758","10.1107/S0108270192007765","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001797","10.099","0.002","11.4014","0.0008","15.682","0.003","95.145","0.009","92.72","0.02","98.29","0.01","1776.3","0.5","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 As N O S Sn -","- C40 H36 As N O S Sn -","- C80 H72 As2 N2 O2 S2 Sn2 -","2","1","OH1003","Ng, S. W.; Kumar Das, V. G.","Structure of tribenzyl(thiocyanato-<i>N</i>)(triphenylarsine oxide-<i>O</i>)tin","Acta Crystallographica Section C","1993","49","4","758","760","10.1107/S0108270192009843","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001798","11.658","0.001","13.001","0.001","15.251","0.002","70.621","0.008","68.538","0.008","66.049","0.007","1919.8","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Fe O2 Rh -","- C22 H25 Fe O2 Rh -","- C88 H100 Fe4 O8 Rh4 -","4","2","LI9126","Swarts, J. C.; Vosloo, T. G.; Leipoldt, J. G.; Lamprecht, G. J.","Structure of (η^4^-1,5-cyclooctadiene)(1-ferrocenyl-1,3-butanedionato-κ^2^<i>O</i>,<i>O</i>')rhodium(I)","Acta Crystallographica Section C","1993","49","4","760","763","10.1107/S0108270192009569","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001799","6.962","0.004","13.754","0.007","22.974","0.012","90","","90","","90","","2200","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C88 H96 N32 O16 -","8","1","GR1000","De Bondt, H. L.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","Structure of 5-benzylamino-1-methyl-4-nitroimidazole","Acta Crystallographica Section C","1993","49","4","763","765","10.1107/S0108270192009570","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001800","6.981","0.007","11.443","0.009","9.255","0.011","76.15","0.08","85.75","0.09","74.13","0.07","690.4","1.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C34 H34 Br2 N4 -","2","1","MU0296","Dunaj-Jurčo, M.; Mikloš, D.; Jendrichovský, J.","Structure of 11-(4-bromophenyl)-1,2,3,4,5,6-hexahydro-1,6-methano-1,6-benzodiazocine","Acta Crystallographica Section C","1993","49","4","765","766","10.1107/S0108270192007145","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001801","6.491","0.002","10.152","0.001","13.358","0.001","90","","100.74","0.01","90","","864.8","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 P2 S2 -","- C12 H28 P2 S2 -","- C24 H56 P4 S4 -","2","0.5","AL1010","Sillanpää, R.; Ergin, Ö.; Çelebi, S.","Tetra-<i>n</i>-propyl-1,2-dithioxodi-λ^5^-phosphane","Acta Crystallographica Section C","1993","49","4","767","768","10.1107/S0108270192007625","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001802","19.048","0.006","10.507","0.004","6.691","0.004","90","","90","","90","","1339.1","1","","","","","","","","","","","","4","P n a 21","","","","","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","HU1003","Bardi, R.; Piazzesi, A. M.; Del Pra, A.","Structure of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylhydrazonoethanoate","Acta Crystallographica Section C","1993","49","4","768","770","10.1107/S0108270192009806","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001803","6.628","0.004","12.604","0.006","20.774","0.011","90","","90","","90","","1735.4","1.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C20 H20 O5 -","- C20 O5 -","- C80 O20 -","4","1","GR0196","Galinis, D. L.; Swenson, D. C.; Wiemer, D. F.","Structure of a 2'-oxo-8.1'-neolignan","Acta Crystallographica Section C","1993","49","4","770","772","10.1107/S0108270192009557","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001804","40.88","0.01","6.733","0.004","30.16","0.01","90","","132.08","0.03","90","","6161","5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 O Si -","- C8 H18 O Si -","- C192 H432 O24 Si24 -","24","3","GR0205","Negron, A.; Barnes, C. L.; Soderquist, J. A.","1,1,4-Trimethylsilacyclohexan-4-ol","Acta Crystallographica Section C","1993","49","4","772","774","10.1107/S010827019200965X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2001805","9.797","0.004","15.039","0.007","20.135","0.008","90","","90","","90","","2967","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H46 Cl2 O7 -","- C31 H46 Cl3 O7 -","- C124 H184 Cl12 O28 -","4","1","HH0595","Toscano, R. A.; Ortega, A.; Maldonado, E.; Gaviño, R.; Lozoya, X.; Tortoriello, J.","Structure of galphimine B","Acta Crystallographica Section C","1993","49","4","774","776","10.1107/S0108270192006644","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001806","12.78","0.001","6.478","0.001","16.832","0.002","90","","93","0.01","90","","1391.6","0.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O7 -","- C30 H34 O7 -","- C60 H68 O14 -","2","1","ST1029","Abboud, K. A.; Jiang, S.; Enholm, E. J.","Structure of a coupled carbohydrate and terpene","Acta Crystallographica Section C","1993","49","4","776","778","10.1107/S0108270192010655","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001807","10.402","0.002","15.025","0.003","9.467","0.002","90","","96.24","0.03","90","","1470.8","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","2","NA1014","Benetollo, F.; Del Pra, A.","Structure of 1<i>H</i>-indazole-3-carboxylic acid","Acta Crystallographica Section C","1993","49","4","779","781","10.1107/S0108270192010618","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001808","10.075","0.001","8.257","0.001","7.482","0.001","90","","90","","90","","622.42","0.13","293","","293","1","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium pentafluoroaluminate hydrate","","- Al F5 H2 O Tl2 -","- Al F5 O Tl2 -","- Al4 F20 O4 Tl8 -","4","0.25","SE1018","Molinier, M.; Massa, W.","Refinement of the structure of Tl~2~AlF~5~.H~2~O","Acta Crystallographica Section C","1993","49","4","782","784","10.1107/S010827019201148X","","","0.71069","MoKα","","","0.0382","","","0.0301","","","","","2.47","2.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001809","10.0049","0.0011","11.7555","0.0012","6.5374","0.0005","90","","99.687","0.006","90","","757.92","0.13","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- As2 Hg3 O8 -","- As2 Hg3 O8 -","- As8 Hg12 O32 -","4","1","MU1008","Larsson, A.-K.; Lidin, S.; Stålhandske, C.; Albertsson, J.","Mercury(II) arsenate, a graphtonite-type structure","Acta Crystallographica Section C","1993","49","4","784","786","10.1107/S0108270192010588","","","0.71069","MoKα","","","0.0446","","","0.0531","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001810","9.45","0.001","9.45","0.001","19.068","0.009","90","","90","","90","","1702.8","0.8","300","","","","","","","","","","","3","P 4/m n c","-P 4 2n","","","","","- In Nb3 Se12 -","- In Nb3 Se12 -","- In4 Nb12 Se48 -","4","0.25","MU1022","Deng, S.; Zhuang, H.; Huang, Jinshun; Huang, Jingling","A new one-dimensional compound: synthesis and structure of InNb~3~(Se~2~)~6~","Acta Crystallographica Section C","1993","49","4","786","788","10.1107/S0108270192010904","","","0.71069","MoKα","","","0.045","","","0.051","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001811","8.88","0.001","10.594","0.001","16.387","0.002","71.2","0.01","89.85","0.01","77.74","0.01","1422.5","0.3","292","","292","","","","","","","","","6","P -1","-P 1","2","","1-Benzhydryl-4-(2-benzoylethyl)piperazonium Tetrachlorocuprate(II) Monohydrate","","- C26 H32 Cl4 Cu N2 O2 -","- C26 H30 Cl4 Cu N2 O2.33 -","- C52 H60 Cl8 Cu2 N4 O4.66 -","2","1","MU1015","Macíček, J.; Tcholakova, J.; Parvanova, M.","Structure of 1-benzhydryl-4-(2-benzoylethyl)piperazinium tetrachlorocuprate(II) hydrate","Acta Crystallographica Section C","1993","49","4","788","790","10.1107/S0108270192012058","","","0.71073","MoKα","","0.139","0.098","","0.084","0.076","","","","2.727","3.089","3.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001812","10.07","0.002","8.156","0.001","28.82","0.007","90","","92.49","0.02","90","","2364.8","0.8","230","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 B4 Fe N Pb Si -","- C19 H33 B4 Fe N Pb Si -","- C76 H132 B16 Fe4 N4 Pb4 Si4 -","4","1","CR1014","Zhang, H.; Jia, L.; Hosmane, N. S.","1-(<i>N</i>,<i>N</i>-Dimethylferrocenylmethylamine)-2-methyl-3-(trimethylsilyl)-2,3-dicarba-1-plumba-<i>closo</i>-heptaborane(6)","Acta Crystallographica Section C","1993","49","4","791","793","10.1107/S0108270192010576","","","0.71073","MoKα","","","0.039","","","0.042","","","","","1.04","1.04","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001813","13.409","0.003","20.196","0.005","16.517","0.004","90","","90","","90","","4472.9","1.8","295","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C43 H35 Cl3 N8 O13 Pt2 -","- C43 H34 Cl3 N8 O13 Pt2 -","- C172 H136 Cl12 N32 O52 Pt8 -","4","1","SP1005","Bailey, J. A.; Miskowski, V. M.; Gray, H. B.","A diphenylformamidinate-bridged terpyridineplatinum(II) dimer","Acta Crystallographica Section C","1993","49","4","793","796","10.1107/S0108270192010229","","","0.71073","MoKα","","","0.03","","","0.003","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001814","11.656","0.004","13.798","0.005","13.738","0.005","90","","92.45","0.03","90","","2207.5","1.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl4 N5 Zn2 -","- C16 H23 Cl4 N5 Zn2 -","- C64 H92 Cl16 N20 Zn8 -","4","1","CR1007","Sosa-Torres, M. E.; Ugalde-Saldívar, V. M.; Rosales-Hoz, M. J.; Toscano, R. A.","Structure of [1,9-bis(2-pyridyl)-2,5,8-triazanonane]zinc(II) tetrachlorozincate(II)","Acta Crystallographica Section C","1993","49","4","796","799","10.1107/S0108270192010564","","","1.5418","CuKα","","","0.072","","","0.078","","","","","1.471","1.471","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001815","9.149","0.0009","19.371","0.003","13.7536","0.0014","90","","99.061","0.008","90","","2407.1","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl4 Cu2 N4 O4 -","- C20 H20 Cl4 Cu2 N4 O4 -","- C80 H80 Cl16 Cu8 N16 O16 -","4","1","HA1013","Blake, A. J.; Winpenny, R. E. P.","Tetrachlorobis(2-pyridone)-bis(μ~2~-2-pyridone)-dicopper","Acta Crystallographica Section C","1993","49","4","799","801","10.1107/S010827019201117X","","","0.71073","MoKα","","","0.0382","","","0.0417","","","","","1.051","1.051","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001816","7.5322","0.0007","12.652","0.002","17.985","0.004","90","","90","","90","","1713.9","0.5","298","3","","","","","","","","","","6","P n 21 a","P -2ac -2n","","","","","- C13 H21 Cu N5 O2 S -","- C14 H19 Cu N5 O2 S -","- C56 H76 Cu4 N20 O8 S4 -","4","1","AS1017","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S.","Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1993","49","4","801","803","10.1107/S0108270192011089","","","0.7093","MoKα","","","0.034","","","0.036","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001817","12.274","0.002","14.358","0.002","10.798","0.002","92.68","0.01","96.73","0.01","82.36","0.01","1872.1","0.5","293","","","","","","","","","","","8","P -1","-P 1","2","","{N^2^-[2,2-Bis(diphenylphosphino)ethyl]-N^1^,N^1^-dimethylethane-1,2-diamine}- 1κ^2^P,P':2κ^2^N^1^,N^2^-tetracarbonyl-1κ^4^C-dichloro-2κ^2^Cl- molybdenumzinc(II)","","- C34 H34 Cl2 Mo N2 O4 P2 Zn -","- C34 H34 Cl2 Mo N2 O4 P2 Zn -","- C68 H68 Cl4 Mo2 N4 O8 P4 Zn2 -","2","1","SH1029","Flörke, U.; Haupt, H.-J.","{<i>N</i>^2^-[2,2-Bis(diphenylphosphino)ethyl]-<i>N</i>^1^,<i>N</i>^1^-dimethylethane-1,2-diamine}-1κ^2^<i>P</i>,<i>P</i>':2κ^2^<i>N</i>^1^,<i>N</i>^2^-tetracarbonyl-1κ^4^<i>C</i>-dichloro-2κ^2^<i>Cl</i>-molybdenumzinc(II), a bimetal complex with a hetero-bifunctional ligand","Acta Crystallographica Section C","1993","49","4","803","805","10.1107/S010827019201237X","","","0.71073","MoKα","","","0.033","","","0.031","","","","","1.854","1.854","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001818","11.47","0.002","12.645","0.003","13.027","0.003","118.18","0.01","90.26","0.02","92.37","0.02","1663.4","0.6","133","1","133","1","","","","","","","","5","P -1","-P 1","2","","η^3^-allylpalladium-μ-(η^1^:η^6^- diphenylmethyl)tricarbonylchromium","","- C19 H16 Cr O3 Pd -","- C19 H15 Cr O3 Pd -","- C76 H60 Cr4 O12 Pd4 -","4","2","MU1029","Kalinin, V. N.; Cherepanov, I. A.; Moiseev, S. K.; Dolgushin, F. M.; Yanovsky, A. I.; Struchkov, Yu. T.","2-η^3^-Allyl-1,1,1-tricarbonyl-μ-(η^1^:η^6^-diphenylmethyl)chromiumpalladium(<i>Pd</i>‒<i>Cr</i>) at 130 K","Acta Crystallographica Section C","1993","49","4","805","808","10.1107/S0108270192011223","","","0.71073","MoKα","","0.0302","0.03","","0.0623","0.063","","","","1.044","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2001819","7.705","0.011","9.664","0.01","11.285","0.014","82.17","0.09","70.42","0.09","71.75","0.09","751.4","1.7","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H42 Ba O10 -","- C22 H40 Ba O10 -","- C22 H40 Ba O10 -","1","0.5","CR1022","Rheingold, A. L.; White, C. B.; Haggerty, B. S.; Kirlin, P.; Gardiner, R. A.","Barium bis(trimethylacetate)–18-crown-6 (1/1)","Acta Crystallographica Section C","1993","49","4","808","810","10.1107/S0108270192010825","","","0.71073","MoKα","","","0.0561","","","0.0732","","","","","1.72","1.72","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001820","11.5961","0.0008","3.6323","0.0004","18.531","0.001","90","","94.02","0.006","90","","778.61","0.11","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-trihydroxybenzohydroxamic acid, monohydrate","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","AB1042","Nielsen, B. B.; Larsen, I. K.","3,4,5-Trihydroxybenzohydroxamic acid monohydrate, a ribonucleotide reductase inhibitor","Acta Crystallographica Section C","1993","49","4","810","813","10.1107/S0108270192011442","","","1.5418","CopperKα","","","0.045","","","0.064","","","","","2.091","2.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001821","5.769","0.002","15.39","0.01","8.504","0.003","90","","109.43","0.03","90","","712","0.6","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Isopropylammonium-dihydrogen-monophosphate","","- C3 H12 N O4 P -","- C3 H12 N O4 P -","- C12 H48 N4 O16 P4 -","4","1","PA1023","Averbuch-Pouchot, M.-T.","Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite","Acta Crystallographica Section C","1993","49","4","813","815","10.1107/S0108270192010898","","","0.7107","MoKα","","0.048","0.025","","","0.027","","","","","0.39","0.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001822","8.125","0.009","12.677","0.01","7.172","0.009","90","","90","","90","","738.7","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","isopropylammonium monohydrogen-phosphite","","- C3 H12 N O3 P -","- H12 P8 -","- H48 P32 -","4","1","PA1023","Averbuch-Pouchot, M.-T.","Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite","Acta Crystallographica Section C","1993","49","4","813","815","10.1107/S0108270192010898","","","0.5608","AgKα","","0.043","0.043","","0.045","0.045","","","","0.536","0.536","0.536","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001823","9.792","0.001","8.487","0.001","7.411","0.002","90","","100.43","0.02","90","","605.71","0.19","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C2 H8 N O5 P -","- C2 H9 N O5 P -","- C8 H36 N4 O20 P4 -","4","1","PA1020","Averbuch-Pouchot, M.-T.","Structures of glycinium phosphite and glycylglycinium phosphite","Acta Crystallographica Section C","1993","49","4","815","818","10.1107/S0108270192010771","","","0.5608","AgKα","","","0.027","","","0.027","","","","","0.317","0.317","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001824","10.003","0.004","4.924","0.001","9.343","0.002","90","","90.88","0.02","90","","460.1","0.2","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H11 N2 O6 P -","- C4 H11 N2 O6 P -","- C8 H22 N4 O12 P2 -","2","1","PA1020","Averbuch-Pouchot, M.-T.","Structures of glycinium phosphite and glycylglycinium phosphite","Acta Crystallographica Section C","1993","49","4","815","818","10.1107/S0108270192010771","","","0.5608","AgKα","","","0.028","","","0.03","","","","","0.231","0.231","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001825","12.01","0.003","6.681","0.005","42.09","0.008","90","","90","","90","","3377","3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H42 O9 S2 -","- C31 H42 O9 S2 -","- C124 H168 O36 S8 -","4","1","PA1024","Hamzaoui, F.; Lamiot, J.; Baert, F.","X-ray structure of a new pyrethroid, RU 52259","Acta Crystallographica Section C","1993","49","4","818","820","10.1107/S010827019201134X","","","1.5419","CuKα","","","0.062","","","0.062","","","","","7.4","7.4","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001826","7.7305","0.0007","16.723","0.0015","26.668","0.003","90","","90","","90","","3447.6","0.6","293","","293","","","","","","","","","3","P c a b","-P 2bc 2ac","61","Tribenzylmethanol","Tribenzylmethanol","","- C22 H22 O -","- C22 H24 O -","- C176 H192 O8 -","8","1","LI1032","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M.","Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol","Acta Crystallographica Section C","1993","49","4","820","824","10.1107/S0108270192011545","","","0.7093","MolybdenumKα","","0.106","0.032","","0.044","0.036","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001827","23.0194","0.0012","6.0483","0.0005","23.7136","0.0012","90","","98.012","0.004","90","","3269.4","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dibenzylphenylmethanol","1,2,3-Triphenyl-2-propanol","","- C21 H20 O -","- C21 H20.5 O -","- C168 H164 O8 -","8","2","LI1032","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M.","Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol","Acta Crystallographica Section C","1993","49","4","820","824","10.1107/S0108270192011545","","","0.7093","MolybdenumKα","","0.129","0.05","","0.063","0.052","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001828","6.23","","10.701","","15.55","","90","","90","","90","","1036.68","","293","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","PA1028","Coquerel, G.; Petit, M. N.; Robert, F.","Structure of (+)-(<i>S</i>)-5-phenyl-5-ethylhydantoin","Acta Crystallographica Section C","1993","49","4","824","825","10.1107/S0108270192011788","","","0.71069","MoKα","","","0.037","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176340","2020-10-21","18:00:00",""
"2001829","7.799","0.001","9.872","0.001","11.77","0.001","109.638","0.004","100.339","0.006","97.756","0.006","820.77","0.16","130","","130","","","","","","","","","4","P -1","-P 1","2","","rac-1-methyl-3-nitro-{(1R,6S,8S)-6-phenyl-5,8-(tetramethylene)tricyclo [3.2.1.0^2.7^]oct-3-eno}[4,3-b]pyrrole","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","AB1037","Meetsma, A.; ten Have, R.; Leusink, F. R.; van Leusen, A. M.","Structure of a tricyclo[3.2.1.0^2,7^]octene derivative: a double bridged central ring in an octahydrobenz[<i>g</i>]-3-nitroindole","Acta Crystallographica Section C","1993","49","4","826","828","10.1107/S0108270192011156","","","0.71073","MoKα","","0.051","0.048","","0.059","0.058","","","","0.725","0.751","0.751","","","","","has coordinates","207946","2020-10-21","18:00:00",""
"2001830","5.648","0.002","26.369","0.008","11.868","0.004","90","","90.19","0.02","90","","1767.5","1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-2-amino-3-hydroxyl-3-(1,2:3,4-di-o-isopropylidène- α-D-galactopyranos-5-yl) propanoate de méthyle","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","2","PA1031","Chiaroni, A.; Riche, C.; El Hadrami, E. M.; Lavergne, J.-P.; Viallefont, P.","Structure du (2<i>S</i>,6'<i>R</i>)-2-amino-2-(1,2:3,4-di-<i>O</i>-isopropylidène-α-<small>D</small>-galactopyranos-6-yl)acétate de méthyle","Acta Crystallographica Section C","1993","49","4","828","830","10.1107/S0108270192011399","","","1.5418","CuKα","","","0.038","","","0.051","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001831","11.213","0.002","22.656","0.004","13.397","0.003","90","","110.7","0.01","90","","3183.7","1.1","289","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C38 H36 Si3 -","- C38 H36 Si3 -","- C152 H144 Si12 -","4","1","NA1013","Van Meervelt, L.","Structure of 1,3-bis(1-pyrenyl)hexamethyltrisilane","Acta Crystallographica Section C","1993","49","4","831","833","10.1107/S0108270192010606","","","1.54178","CuKα","","","0.0424","","","0.0451","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001832","27.729","0.005","5.0311","0.0007","6.105","0.001","90","","99.57","0.02","90","","839.8","0.2","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","OH1006","Kageyama, Y.; Iwamoto, T.; Haisa, M.; Kashino, S.","Structure of the photostable form of <i>p</i>-nitrocinnamic acid","Acta Crystallographica Section C","1993","49","4","833","834","10.1107/S0108270192010886","","","1.54178","CuKα","","","0.045","","","0.055","","","","","2.91","2.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001833","16.861","0.007","11.539","0.003","11.146","0.005","90","","125.08","0.03","90","","1774.6","1.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C5 H8 N3 O5 P -","- C5 H8 N3 O5 P -","- C40 H64 N24 O40 P8 -","8","1","PA1015","Pecaut, J.; Bagieu-Beucher, M.","2-Amino-5-nitropyridinium monohydrogenphosphite","Acta Crystallographica Section C","1993","49","4","834","837","10.1107/S0108270192011302","","","0.71073","MoKα","","","0.04","","","0.042","","","","","0.489","0.489","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001834","9.848","0.003","10.636","0.003","23.216","0.004","90","","93.11","0.02","90","","2428.1","1.1","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N7 O6 -","- C26 H23 N7 O6 -","- C104 H92 N28 O24 -","4","1","MU1035","Adam, D.; McCabe, P. H.; Sim, G. A.; Bouchemma, A.","A twist-boat 1,3,5-triaryl-1,3,5-triazacyclohexane: X-ray analysis of the inclusion compound formed between 1,3,5-tris(<i>p</i>-nitrophenyl)-1,3,5-triazacyclohexane and pyridine","Acta Crystallographica Section C","1993","49","4","837","841","10.1107/S0108270192012216","","","0.71069","MoKα","","","0.039","","","0.05","","","","","2.42","2.42","","","","","has coordinates","205824","2020-10-21","18:00:00",""
"2001835","8.35","0.002","8.769","0.003","10.1473","0.0006","103.11","0.01","94.98","0.02","96.45","0.03","714.2","0.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 I N2 O -","- C16 H13 I N2 O -","- C32 H26 I2 N4 O2 -","2","1","PA1025","Rodier, N.; Agafonov, V.; Cense, J. M.; Galinier, E.; Ombetta, J. E.; Frangin, Y.; Guilloteau, D.","5-(3-Iodophényl)-2,3-dihydro-5-hydroxy-5<i>H</i>-imidazo[2,1-<i>a</i>]isoindole","Acta Crystallographica Section C","1993","49","4","841","843","10.1107/S0108270192010540","","","1.5418","CuKα","","","0.047","","","0.065","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001836","10.633","0.004","11.648","0.006","17.236","0.007","76.3","0.03","83.16","0.03","64.95","0.03","1878.5","1.5","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","2","PA1018","Toupet, L.; Chekti, R.; Soufiaoui, M.; Carrie, R.","Etude de la regio et de la stéréospecificité de l'addition du phénylnitriloxyde au 3-methyl-2-benzylidene indan-1-one. Structure de l'adduit obtenu","Acta Crystallographica Section C","1993","49","4","844","846","10.1107/S0108270192011387","","","0.70926","MoKα","","","0.047","","","0.047","","","","","1.3","1.3","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001837","11.865","0.001","13.8","0.001","10.568","0.001","90","","104.25","0.01","90","","1677.1","0.3","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate","","- C20 H15 Cl O4 -","- C20 Cl O4 -","- C80 Cl4 O16 -","4","1","BR1019","Trotter, J.; Yee, V. C.","Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","4","846","848","10.1107/S0108270192011880","","","1.54056","CopperKα","","0.078","0.046","","0.058","0.058","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001838","8.233","0.005","6.34","0.02","6.241","0.005","102.6","0.1","103.89","0.07","96.7","0.1","303.7","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Al As2 O7 Rb -","- Al As2 O7 Rb -","- Al2 As4 O14 Rb2 -","2","1","DU0330","Boughzala, H.; Driss, A.; Jouini, T.","Structure de RbAlAs~2~O~7~","Acta Crystallographica Section C","1993","49","3","425","427","10.1107/S0108270192006772","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001839","9.4543","0.0005","9.4543","0.0005","83.2","0.01","90","","90","","120","","6440.4","0.9","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- Cs4 Mo21 S25 -","- Cs4 Mo21 S25 -","- Cs24 Mo126 S150 -","6","","DU1004","Gougeon, P.; Potel, M.","Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~ condensed clusters","Acta Crystallographica Section C","1993","49","3","427","430","10.1107/S0108270192006036","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001840","6.09","0.001","6.09","0.001","22.759","0.005","90","","90","","120","","731","0.2","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H13 N3 O8 Se2 -","- H13 N3 O8 Se2 -","- H39 N9 O24 Se6 -","3","0.0833333","NA0025","Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A.","Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II","Acta Crystallographica Section C","1993","49","3","430","433","10.1107/S010827019200739X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206338","2020-10-21","18:00:00",""
"2001841","6.064","0.001","6.064","0.001","22.904","0.005","90","","90","","120","","729.4","0.2","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H13 N3 O8 Se2 -","- H13 N3 O8 Se2 -","- H39 N9 O24 Se6 -","3","0.166667","NA0025","Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A.","Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II","Acta Crystallographica Section C","1993","49","3","430","433","10.1107/S010827019200739X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206338","2020-10-21","18:00:00",""
"2001842","3.8016","0.0004","3.8016","0.0004","6.7786","0.0008","90","","90","","90","","97.965","0.019","","","","","","","","","","","","2","I 4/m m m","-I 4 2","","","","","- Ba O2 -","- Ba O2 -","- Ba2 O4 -","2","0.0625","BR1011","VerNooy, P. D.","Redetermination of the structure of barium peroxide by single-crystal X-ray diffraction","Acta Crystallographica Section C","1993","49","3","433","434","10.1107/S0108270192008692","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001843","9.429","0.002","15.824","0.003","7.931","0.001","90","","106.26","0.01","90","","1136","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- H24 Li2 N4 O22 P6 -","- H24 Li2 N4 O22 P6 -","- H48 Li4 N8 O44 P12 -","2","0.5","DU0331","Elmokhtar, O. S. M. M.; Rzaigui, M.; Jouini, A.","Structure of dilithium tetraammonium <i>cyclo</i>-hexaphosphate tetrahydrate","Acta Crystallographica Section C","1993","49","3","435","437","10.1107/S0108270192008023","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001844","16.142","0.003","12.222","0.003","11.047","0.003","90","","94.41","0.02","90","","2173","0.9","","","","","","","","","","","","6","C 1 2/c 1","","","","","","- C13 H23 Cl2 Mn N3 O12 -","- C13 H23 Cl2 Mn N3 O18 -","- C52 H92 Cl8 Mn4 N12 O72 -","4","0.5","MU0301","Brooker, S.; McKee, V.","Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine","Acta Crystallographica Section C","1993","49","3","441","445","10.1107/S0108270192007157","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001845","9.902","0.002","12.581","0.002","15.203","0.003","90","","101.46","0.02","90","","1856.2","0.6","","","","","","","","","","","","6","I 1 2/a 1","","","","","","- C15 H19 Mn N5 O2 S2 -","- C15 H19 Mn N5 O2 S2 -","- C60 H76 Mn4 N20 O8 S8 -","4","0.5","MU0301","Brooker, S.; McKee, V.","Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine","Acta Crystallographica Section C","1993","49","3","441","445","10.1107/S0108270192007157","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001846","18.643","0.007","12.616","0.003","7.127","0.003","90","","90","","90","","1676.3","1","","","","","","","","","","","","5","P b c n","","","","","","- C13 H19 Mn N9 O2 -","- C13 H19 Mn N9 O2 -","- C52 H76 Mn4 N36 O8 -","4","0.5","MU0301","Brooker, S.; McKee, V.","Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine","Acta Crystallographica Section C","1993","49","3","441","445","10.1107/S0108270192007157","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001847","16.965","0.009","18.847","0.008","12.108","0.007","97.41","0.06","95.29","0.06","117.83","0.03","3343","3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H95 B N6 Ni3 O11 -","- C59 H95 B N6 Ni3 O11 -","- C118 H190 B2 N12 Ni6 O22 -","2","1","AS1009","Yamada, K.; Hori, K.; Fukuda, Y.","Structure of μ-carbonato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1^,<i>O</i>^3^-bis[(acetylacetonato)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(II)] (acetylacetonato)aqua(methanol)(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine)nickel(II) tetraphenylborate","Acta Crystallographica Section C","1993","49","3","445","448","10.1107/S0108270192007091","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001848","16.821","0.005","16.277","0.005","12.131","0.005","90","","90.41","0.03","90","","3321","2","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","","","","","- C20 H48 B8 Cl Hf Li O2 Si2 -","- C20 H48 B8 Cl Hf Li O2 Si2 -","- C80 H192 B32 Cl4 Hf4 Li4 O8 Si8 -","4","1","CR1005","Zhang, H.; Jia, L.; Hosmane, N. S.","The first zwitterionic and bent-sandwiched hafnacarborane 4',5,5',6-Li(THF)-1,1'-<i>commo</i>-Hf(THF)Cl[2-(SiMe~3~)-3-(Me)-2,3-C~2~B~4~H~4~]~2~","Acta Crystallographica Section C","1993","49","3","453","456","10.1107/S0108270192008138","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2001849","23.284","0.01","20.923","0.007","21.822","0.008","90","","93.1","0.03","90","","10615","7","","","","","","","","","","","","5","C 2/n 1 1","-C 2yac","","","","","- C48 H83 B P4 Pt2 -","- C48 B P4 Pt6 -","- C384 B8 P32 Pt48 -","8","1","NA1006","Bachechi, F.","Structure of the dinuclear platinum monohydrido bridged complex [(PEt~3~)~2~HPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]","Acta Crystallographica Section C","1993","49","3","460","464","10.1107/S0108270192007674","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001850","10.287","0.002","14.033","0.004","21.241","0.004","90","","99.24","0.02","90","","3026.5","1.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H88 Mo8 N4 O26 -","- C36 H88 Mo8 N4 O26 -","- C72 H176 Mo16 N8 O52 -","2","0.5","CR0415","Wang, Q.; Xu, X.; Wang, X.","Structure of bis(dimethylammonium) bis(tetrabutylammonium) β-octamolybdate","Acta Crystallographica Section C","1993","49","3","464","467","10.1107/S0108270192007868","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001851","7.301","0.004","8.216","0.004","10.709","0.005","91.407","0.001","98.247","0.001","114.242","0.003","577.2","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cu2 N2 O10 -","- C20 H24 Cu2 N2 O10 -","- C20 H24 Cu2 N2 O10 -","1","0.5","AL0509","Hoang, N. N.; Valach, F.; Melník, M.","Structure of tetrakis(μ-acetato)-bis(4-pyridylmethanol)dicopper(II)","Acta Crystallographica Section C","1993","49","3","467","469","10.1107/S010827019200386X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001852","18.392","0.003","12.723","0.003","22.183","0.003","90","","107.86","0.02","90","","4940.7","1.7","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C24 H66 Si6 Sn3 Te3 -","- C24 H66 Si6 Sn3 Te3 -","- C96 H264 Si24 Sn12 Te12 -","4","1","CD1004","Einstein, F. W. B.; Gay, I. D.; Jones, C. H. W.; Riesen, A.; Sharma, R. D.","Structure and solid-state tin-119 and tellurium-125 NMR spectra of 2,2,4,4,6,6-hexakis(trimethylsilylmethyl)cyclotristannatellurane","Acta Crystallographica Section C","1993","49","3","470","472","10.1107/S0108270192008400","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001853","9.927","0.001","20.086","0.005","17.5","0.005","90","","96.72","0.01","90","","3465.4","1.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C36 H30 Au F6 P3 -","- C36 H30 Au F10 P3 -","- C144 H120 Au4 F40 P12 -","4","1","BR1000","Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P.","Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2)","Acta Crystallographica Section C","1993","49","3","472","475","10.1107/S0108270192008680","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001854","17.502","0.005","11.02","0.001","18.012","0.003","90","","112.4","0.02","90","","3211.9","1.2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Au N O3 P2 -","- C36 H30 Au2 N2 O4 P2 -","- C144 H120 Au8 N8 O16 P8 -","4","1","BR1000","Staples, R. J.; King, C.; Khan, M. N. I.; Winpenny, R. E. P.; Fackler, Jnr, J. P.","Structures of bis(triphenylphosphine)gold(I) hexafluorophosphate, [Au(PPh~3~)~2~]PF~6~ (1), and bis(triphenylphosphine)gold(I) nitrate, [Au(PPh~3~)~2~]NO~3~ (2)","Acta Crystallographica Section C","1993","49","3","472","475","10.1107/S0108270192008680","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001855","11.674","0.001","11.74","0.003","10.863","0.003","128.34","0.02","91.93","0.01","97.18","0.02","1146.7","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O7 Pd -","- C22 H26 N2 O7 Pd -","- C44 H52 N4 O14 Pd2 -","2","1","AS0558","Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N.","Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex","Acta Crystallographica Section C","1993","49","3","476","478","10.1107/S0108270192010801","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001856","19.349","0.002","7.544","0.002","14.826","0.002","90","","94.11","0.01","90","","2158.6","0.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O5 Pd -","- C23 H24 N2 O5 Pd -","- C92 H96 N8 O20 Pd4 -","4","1","AS0558","Yoneda, A.; Newkome, G. R.; Morimoto, Y.; Higuchi, Y.; Yasuoka, N.","Structures of {diethyl 2-[(8-hydroxy-κ<i>O</i>-2-quinolyl-κ<i>N</i>)methyl]malonato(2–)-κ<i>C</i>^2^}(pyridine)palladium(II) and the analogous ethyl complex","Acta Crystallographica Section C","1993","49","3","476","478","10.1107/S0108270192010801","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001857","8.897","0.003","8.213","0.002","15.334","0.004","90","","102.69","0.03","90","","1093.1","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Br O7 S -","- C21 H23 Br O7 S -","- C42 H46 Br2 O14 S2 -","2","1","CR1012","Jedrzejas, M. J.; Baker, R. J.; Binkley, R. W.; Towns, R. L. R.; Adair, N.; Andras, M.; Anwari, F.; Chen, Z.; Huff, R.; Liu, X.; Martuch, R. A.; Skladany, M.","Structure of methyl 4-<i>O</i>-benzoyl-6-bromo-3-tosyl-2,6-dideoxy-β-<small>D</small>-<i>arabino</i>-hexopyranoside","Acta Crystallographica Section C","1993","49","3","481","483","10.1107/S0108270192008291","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001858","18.554","0.003","10.466","0.002","7.959","0.004","90","","91.78","0.03","90","","1544.8","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","1","MU0287","Johnson, O.; Jones, D. W.","A chloride of a substituted heterocyclic analogue of chrysene: C~19~H~17~N~2~O^+^.Cl^{-^}","Acta Crystallographica Section C","1993","49","3","483","486","10.1107/S010827019200711X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001859","31.201","0.012","13.789","0.006","11.62","0.005","90","","90","","90","","4999","4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C48 H74 N2 O9 Si2 -","- C48 H74 N2 O9 Si2 -","- C192 H296 N8 O36 Si8 -","4","1","PA1002","Ginderow, D.; Teutsch, G.; Mornon, J.-P.","Structure du 11,11'-bi[3-éthylènedioxy-17β-cyano-5-hydroxy-17α-triméthylsiloxy-19-nor-5α-androst-9(10)-ène] monohydrate","Acta Crystallographica Section C","1993","49","3","486","489","10.1107/S0108270192006796","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2001860","21.493","0.007","11.721","0.004","8.345","0.001","90","","90","","90","","2102.3","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H22 N4 O2 P2 S2 -","- C18 H22 N4 O2 P2 S2 -","- C72 H88 N16 O8 P8 S8 -","4","0.5","SE1011","Engelhardt, U.; Stromburg, B.","2,8-Diphenoxy-2,8-dithioxo-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan","Acta Crystallographica Section C","1993","49","3","489","491","10.1107/S0108270192008679","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001861","8.106","0.003","18.786","0.004","7.076","0.003","90","","90","","90","","1077.5","0.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C7 H14 B Cl F4 N2 -","- C7 H14 B Cl F4 N2 -","- C28 H56 B4 Cl4 F16 N8 -","4","1","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001862","19.877","0.007","8.769","0.003","7.138","0.002","90","","90","","90","","1244.2","0.7","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl F3 N2 O3 S -","- C8 H20 Cl F3 N2 O3 S -","- C32 H80 Cl4 F12 N8 O12 S4 -","4","0.5","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001863","12.599","0.006","7.653","0.003","14.094","0.007","90","","90","","90","","1358.9","1.1","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H14 B2 Cl F9 N2 -","- C7 H20 B8 Cl F33 N2 -","- C28 H80 B32 Cl4 F132 N8 -","4","0.5","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2001864","7.181","0.001","13.919","0.001","14.547","0.001","90","","90","","90","","1454","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C48 H80 N16 O20 -","4","1","AL1013","Campbell, J. A.; Freer, A. A.; Robins, D. J.","Structure of <i>N</i>-acetyl-<small>L</small>-homocarnosine monohydrate","Acta Crystallographica Section C","1993","49","3","495","497","10.1107/S0108270192009119","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001865","7.57","0.001","9.4313","0.0007","12.485","0.001","90","","102.21","0.01","90","","871.2","0.15","","","","","","","","","","","","3","P 1 21 1","","","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C42 H56 N4 -","2","1","HU0408","Katrusiak, A.","Structure of 2-phenyl-2-dehydrosparteine","Acta Crystallographica Section C","1993","49","3","497","500","10.1107/S0108270192009338","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001866","22.833","0.006","9.37","0.003","11.434","0.004","90","","110.71","0.08","90","","2288.2","1.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","GR0209","Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A.","Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25","Acta Crystallographica Section C","1993","49","3","500","504","10.1107/S0108270192007893","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001867","7.542","0.002","7.542","0.002","33.266","0.002","90","","90","","90","","1892.2","0.7","","","","","","","","","","","","4","P 43","P 43","","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","HH0508","Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K.","Structure of (‒)-β-hydrastine","Acta Crystallographica Section C","1993","49","3","504","506","10.1107/S0108270192006620","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001868","25.62","0.03","4.964","0.002","14.9","0.014","90","","107.15","0.04","90","","1811","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C7 H7 Cl N2 O3 -","- C7 H7 Cl N2 O3 -","- C56 H56 Cl8 N16 O24 -","8","1","GR1003","Horan, C. J.; Barnes, C. L.; Glaser, R.","2-Carboxybenzenediazonium chloride monohydrate","Acta Crystallographica Section C","1993","49","3","507","509","10.1107/S0108270192009673","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001869","13.215","0.003","9.321","0.001","15.6","0.004","90","","105.68","0.02","90","","1850.1","0.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","HA1012","Hu, A. T.; Wang, M.-S.; Wang, S.-L.","Structure of an organic photochromic compound. 6,7,8a,9-Tetrahydro-17,17-dimethylnaphtho[1'',2'':5',6'][1,4]oxazino[3',2':2,3][1,4]oxazino[4,3-<i>a</i>][3<i>H</i>]indole","Acta Crystallographica Section C","1993","49","3","509","511","10.1107/S0108270192008187","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001870","7.135","0.003","17.639","0.004","21.454","0.007","90","","90","","90","","2700.1","1.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C31 H50 O2 -","- C31 H50 O2 -","- C124 H200 O8 -","4","1","CD1003","Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F.","Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)","Acta Crystallographica Section C","1993","49","3","511","514","10.1107/S010827019200800X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001871","7.8478","0.0004","20.0952","0.0009","13.3666","0.0003","90","","95.68","0.002","90","","2097.6","0.15","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","DU0312","Drouin, M.; Michel-Dewez, N.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene","Acta Crystallographica Section C","1993","49","3","514","517","10.1107/S0108270192008151","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","208449","2020-10-21","18:00:00",""
"2001872","6.0842","0.0002","12.7171","0.0007","27.8011","0.0016","90","","93.183","0.003","90","","2147.75","0.19","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C88 H120 O32 -","4","1","DU0312","Drouin, M.; Michel-Dewez, N.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene","Acta Crystallographica Section C","1993","49","3","514","517","10.1107/S0108270192008151","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","208447","2020-10-21","18:00:00",""
"2001873","10.833","0.002","13.184","0.003","13.375","0.003","89.73","0.03","74.52","0.03","71.95","0.03","1744","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C80 H76 N4 O24 -","4","2","SE1008","Dokurno, P.; Gdaniec, M.; Kosturkiewicz, Z.; Matecka, D.; Rozwadowska, M. D.","Structure of (±)-egenine","Acta Crystallographica Section C","1993","49","3","517","519","10.1107/S0108270192007509","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001874","9.511","0.002","15.741","0.003","11.467","0.002","90","","91.31","0.02","90","","1716.3","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O2 Se -","- C8 H10 O2 Se -","- C64 H80 O16 Se8 -","8","2","ST1004","Hoier, H.; Carrell, H. L.; Glusker, J. P.; Spears, C. P.","Structure of ethyl phenyl selenone","Acta Crystallographica Section C","1993","49","3","520","523","10.1107/S0108270192008230","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001875","17.572","0.01","7.727","0.004","7.398","0.004","90","","101.9","0.04","90","","982.9","0.9","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C28 H14 O6 -","- C28 H14 O6 -","- C56 H28 O12 -","2","0.5","ST1003","Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.","Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride","Acta Crystallographica Section C","1993","49","3","523","526","10.1107/S0108270192007388","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001876","13.293","0.003","8.099","0.002","13.815","0.003","90","","120.474","0.005","90","","1281.9","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H10 N4 O -","- C14 H10 N4 O -","- C56 H40 N16 O4 -","4","1","MU0297","Kožíšek, J.; Paulus, H.; Marchalín, Š.; Ilavský, D.","Structure of 4-(5-cyano-2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section C","1993","49","3","526","528","10.1107/S0108270192010862","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001877","7.505","0.002","8.805","0.002","11.443","0.004","101.53","0.03","99.57","0.03","95.43","0.02","724.2","0.4","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","HU1012","Letcher, R. M.; Cheung, K.-K.; Yue, T.-Y.","Structure of 12b-hydroxy-5-methyl-1,2,3,4,4a,5,6,12b-octahydro-12<i>H</i>-benzo[<i>a</i>]xanthen-12-one","Acta Crystallographica Section C","1993","49","3","528","530","10.1107/S0108270192009132","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001878","10.13","0.002","7.39","0.008","20.77","0.003","90","","105.42","0.01","90","","1498.9","1.7","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 -","- C18 H22 N2 -","- C72 H88 N8 -","4","1","CR0269","Prasad, S. M.; Narayan, S. P.; Mandal, D. K.; Gupta, S. C.","Structure of 5,6,11,12-tetrahydro-2,5,8,11-tetramethylphenomazine","Acta Crystallographica Section C","1993","49","3","531","533","10.1107/S0108270192004384","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001879","8.945","0.002","10.098","0.002","11.376","0.003","109.76","0.02","93.3","0.02","114.32","0.01","857.7","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 Mn2 O8 P2 -","- C32 Mn2 O8 P2 -","- C32 Mn2 O8 P2 -","1","0.5","SE0088","Flörke, U.; Haupt, H.-J.","Dimanganese octacarbonyl complexes with bridging phosphanido ligands","Acta Crystallographica Section C","1993","49","3","533","535","10.1107/S0108270192007443","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001880","6.848","0.001","8.72","0.002","10.805","0.002","100.16","0.01","99.43","0.01","106.22","0.01","594.1","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Mn2 O8 P2 -","- C20 Mn2 O8 P2 -","- C20 Mn2 O8 P2 -","1","0.5","SE0088","Flörke, U.; Haupt, H.-J.","Dimanganese octacarbonyl complexes with bridging phosphanido ligands","Acta Crystallographica Section C","1993","49","3","533","535","10.1107/S0108270192007443","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001881","11.359","0.009","8.128","0.007","5.608","0.005","90","","75.42","0.05","90","","501.1","0.7","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","","","","","- C2 H12 N6 Ni S2 -","- C2 H12 N6 Ni S2 -","- C4 H24 N12 Ni2 S4 -","2","0.25","MU0288","Ďurčanská, E.; Kožíšek, J.; Ďurík, J.; Kettmann, V.","Redetermination of the structure of <i>trans</i>-tetraamminebis(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1993","49","3","535","536","10.1107/S0108270192007121","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001882","9.254","0.007","9.736","0.003","7.955","0.003","102.34","0.03","112.33","0.03","95.09","0.04","636.1","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Br Cu N2 -","- C12 H14 Br Cu N2 -","- C24 H28 Br2 Cu2 N4 -","2","1","SP1000","Jedrzejas, M. J.; Martuch, R. A.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.","Structure of bis(4-methylpyridine-<i>N</i>)copper(I) bromide","Acta Crystallographica Section C","1993","49","3","536","538","10.1107/S0108270192006279","","","0.710326","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001883","15.18","0.006","14.431","0.005","15.269","0.006","90","","96.38","0.04","90","","3324","2","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C32 H30 Cu N4 O6 S2 -","- C32 H30 Cu N4 O6 S2 -","- C128 H120 Cu4 N16 O24 S8 -","4","0.5","SP1001","Jedrzejas, M. J.; Towns, R. L. R.; Baker, R. J.; Duraj, S. A.; Hepp, A. F.","Structure of bis(benzenesulfonato-<i>O</i>)tetrakis(pyridine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1993","49","3","538","540","10.1107/S0108270192006280","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001884","8.831","0.004","14.27","0.008","6.774","0.008","91.98","0.08","99.33","0.09","85.13","0.05","839.1","1.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H23 Cl2 N Si2 Ti -","- C11 H23 Cl2 N Si2 Ti -","- C22 H46 Cl4 N2 Si4 Ti2 -","2","1","PA1006","Laurent, F.; Legros, J.-P.","Structure of an allotropic form of [bis(trimethylsilyl)amido]dichloro(η^5^-cyclopentadienyl)titanium","Acta Crystallographica Section C","1993","49","3","540","542","10.1107/S0108270192007315","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001885","14.145","0.007","16.482","0.008","17.589","0.008","90","","90","","90","","4101","3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C40 H60 N2 Ni S4 -","- C40 H60 N2 Ni S4 -","- C160 H240 N8 Ni4 S16 -","4","1","HH1015","Rheingold, A. L.; Beall, K. S.; Riggs, P. J.; Groh, S. E.","Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph","Acta Crystallographica Section C","1993","49","3","542","543","10.1107/S0108270192007704","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001886","11.269","0.003","14.095","0.005","8.508","0.005","90","","100.01","0.06","90","","1330.8","1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C56 H48 Cl4 N4 O8 S4 -","4","1","GR0194","Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.","Structure of 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide","Acta Crystallographica Section C","1993","49","3","544","546","10.1107/S0108270192007881","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001887","10.86","0.002","9.849","0.009","9.36","0.003","90","","113","0.05","90","","921.6","1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C8 H8 Cl N O2 S -","- C8 H8 Cl N O2 S -","- C32 H32 Cl4 N4 O8 S4 -","4","1","GR0195","Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.","Structure of 6-chloro-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide","Acta Crystallographica Section C","1993","49","3","546","548","10.1107/S0108270192007042","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001888","8.785","0.004","8.318","0.003","4.92","0.001","90","","103.62","0.03","90","","349.4","0.2","","","","","","","","","","","","4","C 1 m 1","","","","","","- C6 H8 Br N -","- C6 H7 Br N -","- C12 H14 Br2 N2 -","2","0.5","HH0618","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.","Structure of 4-methylpyridinium bromide","Acta Crystallographica Section C","1993","49","3","548","550","10.1107/S0108270192006826","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001889","6.062","0.002","7.242","0.001","23.375","0.004","90","","90","","90","","1026.2","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","ST1002","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structure of diphenyl carbonate","Acta Crystallographica Section C","1993","49","3","550","551","10.1107/S0108270192007571","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001890","13.723","0.004","9.827","0.003","19.328","0.007","90","","96.57","0.03","90","","2589.4","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 B N O2 -","- C32 H30 B N O2 -","- C128 H120 B4 N4 O8 -","4","1","ST1001","Bryant, Jnr, G. L.; King, Jnr, J. A.","Structure of two polymorphic acylpyridinium salts","Acta Crystallographica Section C","1993","49","3","551","554","10.1107/S0108270192007583","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001891","10.09","0.004","14.762","0.006","18.057","0.007","90","","105.12","0.03","90","","2596.5","1.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 B N O2 -","- C32 H30 B N O2 -","- C128 H120 B4 N4 O8 -","4","1","ST1001","Bryant, Jnr, G. L.; King, Jnr, J. A.","Structure of two polymorphic acylpyridinium salts","Acta Crystallographica Section C","1993","49","3","551","554","10.1107/S0108270192007583","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001892","8.3925","0.0014","8.0054","0.0014","24.305","0.004","90","","98.518","0.006","90","","1614.9","0.5","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41 N2 O8 P S2 -","- C31 H23 N2 O8 P S2 -","- C62 H46 N4 O16 P2 S4 -","2","1","ST1007","Berkman, C. E.; Fernandez, E. J.; Thompson, C. M.; Pavkovic, S. F.","Structure of 19-methylstrychninium (<i>S</i>)-{<i>S</i>-[(<i>R</i>)-1,2-di(ethoxycarbonyl)ethyl] <i>O</i>-methyl phosphorodithioate}","Acta Crystallographica Section C","1993","49","3","554","556","10.1107/S0108270192007637","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001893","12.594","0.002","12.594","0.002","12.594","0.002","118.03","0.01","118.03","0.01","118.03","0.01","720","1","","","","","","","","","","","","4","R 3 :R","P 3*","146","","","","- C9 H16 N2 O2 -","- C9 H16 N2 O2 -","- C27 H48 N6 O6 -","3","1","HL1011","Mackay, M. F.; Banwell, M. G.; Richards, S. L.","Structure of (3aα,4α,7α,7aα)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxolane-4,7-diamine","Acta Crystallographica Section C","1993","49","3","556","558","10.1107/S0108270192007819","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2001894","5.305","0.001","9.486","0.002","11.437","0.003","94.1","0.2","93.8","0.2","93.6","0.2","571.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB0276","Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.","Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide","Acta Crystallographica Section C","1993","49","3","558","559","10.1107/S010827019200698X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001895","23.01","0.04","13.91","0.01","7.58","0.04","90","","90","","90","","2426","14","","","","","","","","","","","","4","P b c a","","","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C72 H72 Cl24 O32 -","8","1","AB0277","Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.","Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate","Acta Crystallographica Section C","1993","49","3","559","560","10.1107/S0108270192006991","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001896","8.724","0.003","12.009","0.003","15.78","0.004","90","","91.81","0.03","90","","1652.4","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","HA1011","Feneau-Dupont, J.; Declercq, J.-P.; Vanwetswinkel, S.; Genicot, C.","8-(<i>N</i>-Methyl-<i>N</i>-tosylamino)bicyclo[4.2.0]octane-7-spiro-2'-oxacyclopropane","Acta Crystallographica Section C","1993","49","3","561","562","10.1107/S0108270192008175","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001897","12.104","0.003","26.712","0.005","7.138","0.001","90","","90","","90","","2307.9","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","CR1009","Suh, I.-H.; Seo, B.-I.; Lewis, D. E.; Jensen, W. P.; Jacobson, R. A.","Structure of the <i>p</i>-nitrobenzoate ester of 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol","Acta Crystallographica Section C","1993","49","3","562","565","10.1107/S010827019200787X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001898","6.105","0.002","21.184","0.005","11.356","0.007","90","","91.14","0.03","90","","1468.4","1.1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","HA1014","Feneau-Dupont, J.; Declercq, J.-P.; Labille, M. C.; Janousek, Z.; Viehe, H. G.","3-Cyano-3-dimethylamino-4-ethoxy-1-phenyl-2-azetidinone","Acta Crystallographica Section C","1993","49","3","567","569","10.1107/S0108270192008448","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001899","9.046","0.001","9.046","0.001","27.883","0.001","90","","90","","120","","1976","0.3","294","","","","","","","","","","","5","P 63/m c m","-P 6c 2","","","","","- Ca K7 Nb14 O47 Si4 -","- Ca3 K6 Nb14 O47 Si4 -","- Ca6 K12 Nb28 O94 Si8 -","2","0.0833333","PA1008","Borel, M. M.; Chardon, J.; Grandin, A.; Leclaire, A.; Raveau, B.","Structure of a new siliconiobate K~6.5~Ca~0.75~Nb~14~Si~4~O~47~","Acta Crystallographica Section C","1993","49","3","570","571","10.1107/S0108270192010254","","","0.71073","MoKα","","","0.028","","","0.027","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001900","7.268","0.004","7.342","0.004","19.553","0.011","94.43","0.06","90.31","0.06","90.9","0.06","1040.1","1","180","0.5","180","0.5","","","","","","","","3","P -1","-P 1","2","","2,5-diiodo-1,2,4,5-tetraphospha-3,6,7-trithiabicyclo[2.2.1]heptane","","- I2 P4 S3 -","- I2 P4 S3 -","- I8 P16 S12 -","4","2","MU1018","Tattershall, B. W.; Kendall, N. L.; McCamley, A.; Clegg, W.","Redetermination of the structure of α-tetraphosphorus trisulfide diiodide at 180 K","Acta Crystallographica Section C","1993","49","3","571","573","10.1107/S0108270192011466","","","0.71073","MoKα","","0.0403","0.0403","","0.1114","0.1112","","","","1.238","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001901","10.2649","0.0014","12.1774","0.0018","12.952","0.002","114.19","0.01","96.47","0.01","75.09","0.01","1427.1","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate","","- C54 H48 Cl6 D2 I2 P4 Pt -","- C54 H48 Cl6 D2 I2 P4 Pt -","- C54 H48 Cl6 D2 I2 P4 Pt -","1","0.5","BR1014","Ferguson, G.; Lough, A. J.; McAlees, A. J.; McCrindle, R.","Bis[1,2-bis(diphenylphosphino)ethane]platinum(II) iodide bis(deuteriochloroform) solvate","Acta Crystallographica Section C","1993","49","3","573","576","10.1107/S0108270192010217","","","0.7093","MolybdenumKα","","","0.033","","","0.037","","","","","1.31","1.31","","","","","has coordinates","191979","2020-10-21","18:00:00",""
"2001902","12.03","0.001","7.792","0.001","13.711","0.001","90","","108.94","0.01","90","","1215.7","0.2","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Cd F10 -","- C12 Cd F10 -","- C48 Cd4 F40 -","4","1","SE1005","Strasdeit, H.; Büsching, I.; Duhme, A.-K.; Pohl, S.","Structure of the two-coordinate cadmium complex bis(pentafluorophenyl)cadmium(II), [Cd(C~6~F~5~)~2~]","Acta Crystallographica Section C","1993","49","3","576","578","10.1107/S010827019201014X","","","0.71069","MoKα","","","0.027","","","0.029","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001903","11.243","0.002","7.8935","0.0016","13.406","0.002","90","","99.435","0.015","90","","1173.6","0.4","294","","","","","","","","","","","5","C 1 2/m 1","-C 2y","","","","","- Cl10 H30 Ir2 N10 Pt -","- Cl10 H30 Ir2 N10 Pt -","- Cl20 H60 Ir4 N20 Pt2 -","2","0.25","DU1021","Garnier, E.","Structure of bis[pentaamminechloroiridium(III)] hexachloroplatinate(IV) dichloride","Acta Crystallographica Section C","1993","49","3","578","580","10.1107/S0108270192009909","","","0.71069","MoKα","","","0.029","","","0.0354","","","","","1.171","1.171","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001904","15.172","0.002","7.173","0.0008","18.619","0.001","90","","95.98","0.007","90","","2015.3","0.4","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Potassium Theobrominium Tetrakis(thiocyanato)palladate(II) Monohydrate","","- C11 H11 K N8 O3 Pd S4 -","- C11 H9 K N8 O3 Pd S4 -","- C44 H36 K4 N32 O12 Pd4 S16 -","4","1","HL1021","Giraldi, T.; Taylor, M. R.; Moreno-Vida, M. I.; Ruiz-Sanchez, J.; Salas-Peregrín, J. M.; Colacio, E.","Structure of potassium theobrominium tetrakis(thiocyanato)palladate(II) monohydrate","Acta Crystallographica Section C","1993","49","3","580","582","10.1107/S0108270192010990","","","0.71069","MoKα","","0.037","0.034","","0.029","0.029","","","","1.735","1.763","1.763","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001905","8.409","0.003","12.087","0.004","13.65","0.004","90","","92.23","0.02","90","","1386.3","0.8","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Mo N2 O4 -","- C10 H15 Mo N2 O4 -","- C40 H60 Mo4 N8 O16 -","4","1","LI1027","Bakar, M. A.; Fun, H.-K.; Chinnakali, K.; Teoh, S.-G.; Shawkataly, O. B.; Lopez, F. M.","Structure of tetracarbonyl[<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetramethylethylenediamine-<i>N</i>,<i>N'</i>]molybdenum(0)","Acta Crystallographica Section C","1993","49","3","582","584","10.1107/S0108270192010096","","","0.71069","MoKα","","","0.0296","","","0.0459","","","","","1","1","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001906","5.75","0.004","16.229","0.004","11.728","0.004","90","","102.23","0.01","90","","1069.6","0.9","295","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C16 H18 N4 O4 Pd S4 -","- C16 H18 N4 O4 Pd S4 -","- C32 H36 N8 O8 Pd2 S8 -","2","0.5","MU1013","Román, P.; Beitia, J. I.; Luque, A.","Structures of 2-amino-3-methylpyridinium bis(1,2‒dithiooxalato-<i>S</i>,<i>S'</i>)metallates(II) (<i>M</i> = Ni, Pd and Pt)","Acta Crystallographica Section C","1993","49","3","584","587","10.1107/S0108270192010503","","","0.71069","MoKα","","","0.05","","","0.064","","","","","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001907","9.688","0.003","10.669","0.003","12.447","0.005","69.62","0.02","67.58","0.02","78.86","0.04","1112.1","0.7","396","","23","","","","","","","","","6","P -1","-P 1","2","","[Bis(N-phenylsalicylideneaminato-O,N)chloride]manganese(III)","","- C26 H20 Cl Mn N2 O2 -","- C26 H20 Cl Mn N2 O2 -","- C52 H40 Cl2 Mn2 N4 O4 -","2","1","LI1035","McAuliffe, C. A.; Pritchard, R. G.; Luaces, L.; Garcia-Vazquez, J. A.; Romero, J.; Bermejo, M. R.; Sousa, A.","Chlorobis(<i>N</i>-phenylsalicylideneaminato-<i>O</i>,<i>N</i>)manganese(III): a manganese Schiff-base complex derived by an electrochemical route","Acta Crystallographica Section C","1993","49","3","587","589","10.1107/S010827019201120X","","","0.7107","MoKα","","","0.04","","","0.025","","","","","2.08","2.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001908","13.138","0.002","13.897","0.002","21.912","0.002","90","","91.77","0.02","90","","3998.8","0.9","296","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C24 H14 F6 O3 -","- C24 F6 O3 -","- C192 F48 O24 -","8","2","AL1014","Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.","Structures of two (1:1) adducts of [α,α-bis(3,3,3-trifluoropropynyl)]benzyl benzoate and furan","Acta Crystallographica Section C","1993","49","3","595","598","10.1107/S0108270192010199","","","0.71069","MoKα","","","0.085","","","0.059","","","","","5.89","5.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001909","35.499","0.009","10.289","0.002","8.275","0.003","90","","90","","90","","3022.4","1.5","293","5","","","","","","","","","","2","P c a 21","P 2c -2ac","","","","","- C40 H36 -","- C40 H36 -","- C160 H144 -","4","1","HU1006","Schumann, H.; Görlitz, F. H.; Esser, L.","Structure of pentabenzylcyclopentadiene","Acta Crystallographica Section C","1993","49","3","598","600","10.1107/S0108270192009818","","","0.71073","MoKα","","","0.058","","","0.052","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001910","16.465","0.002","30.163","0.003","9.061","0.001","90","","90","","90","","4500","0.9","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C51 H48 N O8 P S -","- C51 H44 N O8 P S -","- C204 H176 N4 O32 P4 S4 -","4","1","AS1015","Hirayama, N.; Sugaya, T.; Tomioka, S.; Ohshima, E.; Obase, H.","(+)-2,2'-(1,1'-Binaphthyl)phosphate salt of methyl (11<i>R</i>)-11-{[2-(4-benzylpiperidino)ethyl]thio}-6,11-dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-2-carboxylate","Acta Crystallographica Section C","1993","49","3","600","602","10.1107/S0108270192009090","","","1.54184","CuKα","","","0.06","","","0.085","","","","","2.4","2.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001911","12.971","0.003","12.971","0.003","25.74","0.012","90","","90","","120","","3750","2","293","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","tetramethyl tert-butylcalix[4]arene tetraketone","","- C56 H72 O8 -","- C56 H72 O8 -","- C168 H216 O24 -","3","0.5","MU1016","Ferguson, G.; Gallagher, J. F.; McKervey, M. A.","Tetramethyl <i>tert</i>-butylcalix[4]arene tetraketone","Acta Crystallographica Section C","1993","49","3","602","604","10.1107/S0108270192010515","","","0.7093","MoKα","","0.08","0.048","","0.067","0.062","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001912","8.988","0.002","27.953","0.003","5.52","0.002","90","","90","","90","","1386.9","0.6","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","AL1023","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structures of furo[2,3-<i>b</i>]indolizine derivatives","Acta Crystallographica Section C","1993","49","3","604","607","10.1107/S0108270192010205","","","0.71069","MoKα","","","0.04","","","0.046","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001913","7.826","0.002","13.85","0.002","13.558","0.002","90","","96.85","0.01","90","","1459.1","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","AL1023","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structures of furo[2,3-<i>b</i>]indolizine derivatives","Acta Crystallographica Section C","1993","49","3","604","607","10.1107/S0108270192010205","","","0.71069","MoKα","","","0.043","","","0.047","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001914","8.859","0.003","10.075","0.004","21.189","0.007","90","","95.62","0.03","90","","1882.1","1.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","REL-(2R,3R,αS)-2-(α-acetoxy-4'-quinolinemethyl)-3-azabicyclo-[2.2.2]octane","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ST1035","South, B. E.; Kashyap, R. P.; Minter, D. A.; Krawiec, M.; Watson, W. H.","Quinine model study: stereospecific aldol condensation/reduction","Acta Crystallographica Section C","1993","49","3","607","609","10.1107/S0108270192011016","","","0.71073","MolybdenumKα","","0.0995","0.0625","","0.0283","0.0267","","","","","1.639","1.639","","","","","has coordinates","205825","2020-10-21","18:00:00",""
"2001915","10.671","0.003","12.84","0.002","12.303","0.004","90","","97.74","0.03","90","","1670.3","0.8","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 N6 O12 -","- C13 H6 N6 O12 -","- C52 H24 N24 O48 -","4","1","PA1007","Cousson, A.; Lelièvre, J.; Chatrousse, A. P.; Terrier, F.; Farrell, P. G.","Hexanitrodiphenylmethane","Acta Crystallographica Section C","1993","49","3","609","612","10.1107/S0108270192006814","","","1.5418","CuKα","","","0.068","","","0.059","","","","","1.5","1.5","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001916","13.032","0.003","21.366","0.004","9.041","0.002","90","","100.77","0.02","90","","2473","0.9","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[2-benzoyl-1-(benzoylmethyl)ethyl][2.2]paracyclophane","","- C33 H30 O2 -","- C33 H30 O2 -","- C132 H120 O8 -","4","1","NA1020","Kharitonov, V. G.; Antonov, D. Yu.; Rozenberg, V. I.; Nikanorov, V. A.; Yanovsky, A. I.; Struchkov, Yu. T.","4-[2-Benzoyl-1-(benzoylmethyl)ethyl][2.2]paracyclophane","Acta Crystallographica Section C","1993","49","3","612","615","10.1107/S010827019201076X","","","0.71073","MoKα","","0.1001","0.0458","","0.1432","0.0984","","","","1.022","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001917","17.371","0.006","7.621","0.002","8.862","0.003","90","","94.03","0.02","90","","1170.3","0.6","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 F10 N2 -","- C12 F10 N2 -","- C48 F40 N8 -","4","0.5","LI1017","Chinnakali, K.; Fun, H.-K.; Shawkataly, O. B.; Teoh, S.-G.","Structure of <i>trans</i>-decafluoroazobenzene","Acta Crystallographica Section C","1993","49","3","615","616","10.1107/S0108270192009454","","","0.71069","MoKα","","","0.0317","","","0.0438","","","","","1.44","1.44","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001918","17.002","0.002","18.399","0.002","10.056","0.001","90","","119.21","0.02","90","","2745.7","0.7","293","","","","","","","","","","","3","C 1 2 1","C 2y","","","","","- C30 H46 O4 -","- C30 O4 -","- C120 O16 -","4","1","LI1025","Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.","Structure of zizyberannalic acid","Acta Crystallographica Section C","1993","49","3","616","618","10.1107/S0108270192010047","","","1.5418","CuKα","","","0.056","","","0.061","","","","","1.918","1.918","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001919","9.4377","0.001","6.978","0.0011","18.559","0.003","90","","93.24","0.013","90","","1220.3","0.3","122","0.5","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H42 O4 -","- C27 H21 O4 -","- C54 H42 O8 -","2","1","LI1021","Larsen, S.; Hansen, E. T.; Hoffmeyer, L.; Rastrup-Andersen, N.","Structure and absolute configuration of a monohydrate of calcipotriol, (1α,3β,5<i>Z</i>,7<i>E</i>,22<i>E</i>,24<i>S</i>)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol","Acta Crystallographica Section C","1993","49","3","618","621","10.1107/S010827019201031X","","","1.54184","CuKα","","","0.05","","","0.064","","","","","1.56","1.56","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001920","8.789","0.002","8.789","0.002","21.245","0.008","90","","90","","120","","1421.2","0.7","298","","","","","","","","","","","3","P 32 2 1","P 32 2""","","","","","- C12 H30 O15 -","- C12 H38 O15 -","- C36 H114 O45 -","3","0.5","HL1014","Lee, C.-K.; Koh, L. L.","Structure of β,β-trehalose","Acta Crystallographica Section C","1993","49","3","621","624","10.1107/S010827019200982X","","","0.71069","MoKα","","","0.029","","","0.031","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001921","15.8","0.002","4.985","0.001","18.875","0.003","90","","111.21","0.01","90","","1385.9","0.4","289","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F3 N2 O4 -","- C13 H11 F3 N2 O4 -","- C52 H44 F12 N8 O16 -","4","1","AB1028","Van Meervelt, L.","Structure of <i>N</i>-(3-phthalimidooxypropyl)trifluoroacetamide","Acta Crystallographica Section C","1993","49","3","624","626","10.1107/S0108270192010473","","","1.54178","CuKα","","","0.0459","","","0.0506","","","","","1.16","1.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001922","9.202","0.001","10.716","0.002","22.111","0.003","90","","90","","90","","2180.3","0.6","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C19 H20 N2 O10 S -","- C19 H17 N2 O10 S -","- C76 H68 N8 O40 S4 -","4","1","PA1010","Tomas, A.; Dung, Nguyen-Huy; Viossat, B.; Esanu, A.; Rolland, A.","An original linkage between arabinose and a pyranopyrimidine derivative <i>via</i> a sulfur atom","Acta Crystallographica Section C","1993","49","3","626","628","10.1107/S0108270192010448","","","0.7107","MoKα","","","0.044","","","0.047","","","","","2","2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001923","7.0123","0.0005","7.5297","0.0009","29.094","0.002","90","","90","","90","","1536","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S ; S~s~)-1-hydroxy-3-methoxy-1- phenyl-2-p-tolylsulfinylpropene","(1S ; S~s~)-1-hydroxy-3-methoxy-1- phenyl-2-p-tolylsulfinylpropene","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","PA1027","Retoux, R.; Guillot, C.; Maignan, C.","Structure determination of (1<i>S</i>;S~<i>s~</i>)-3-methoxy-1-phenyl-2-(<i>p</i>-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)","Acta Crystallographica Section C","1993","49","3","629","630","10.1107/S0108270192011235","","","0.71069","MoKα","","","0.028","","","0.029","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001924","7.516","0.0002","10.536","0.002","8.342","0.002","90","","95.69","0.01","90","","657.3","0.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N4 O2 S2 -","- C2 H4 N4 O2 S2 -","- C8 H16 N16 O8 S8 -","4","1","LI1011","Pedregosa, J. C.; Alzuet, G.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.","Structure of 5-amino-1,3,4-thiadiazole-2-sulfonamide, an inhibitor of the enzyme carbonic anhydrase","Acta Crystallographica Section C","1993","49","3","630","633","10.1107/S0108270192007467","","","0.71073","MoKα","","","0.032","","","0.035","","","","","9.04","9.04","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001925","5.6478","0.0006","5.232","0.002","41.641","0.006","90","","93.98","0.02","90","","1227.5","0.5","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","LI1023","Caracelli, I.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C.","Structures of pyrazole derivatives. I. A potential bioisoster of thromboxane synthetase inhibitors","Acta Crystallographica Section C","1993","49","3","633","635","10.1107/S0108270192008527","","","0.70926","MoKα","","","0.054","","","0.062","","","","","2.24","2.24","","","","","has coordinates","278317","2022-10-03","11:42:01",""
"2001926","7.902","0.002","12.009","0.003","7.474","0.002","90","","90","","90","","709.2","0.3","298","","","","","","","","","","","4","P b c 21","P 2c -2b","","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.024","","","0.027","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001927","8.69","0.001","12.134","0.003","16.267","0.003","90","","90","","90","","1715.3","0.6","298","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C56 H96 N16 O16 -","8","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.032","","","0.037","","","","","2.43","2.43","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2001928","8.734","0.001","12.821","0.002","7.775","0.001","90","","90","","90","","870.6","0.2","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.029","","","0.038","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001929","12.79","0.001","12.79","0.001","12.493","0.002","90","","90","","90","","2043.7","0.4","288","","","","","","","","","","","3","P 4/n","-P 4a","","","","","- C47 H56 O4 -","- C51 H28 O4 -","- C102 H56 O8 -","2","","AS1013","Ohtsuchi, M.; Suzuki, K.; Armah, A. E.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-isopropylcalix[4]arene‒toluene (1/1) complex","Acta Crystallographica Section C","1993","49","3","639","641","10.1107/S0108270192008850","","","1.5418","CuKα","","","0.07","","","0.077","","","","","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001930","16.14","0.01","4.55","0.003","7.788","0.005","90","","100.07","0.01","90","","563","","293","0.1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As2 Mo O7 -","- As2 Mo O7 -","- As8 Mo4 O28 -","4","1","SE1012","Hums, E.; Burzlaff, H.; Rothammel, W.","Structure of MoAs~2~O~7~: corrigendum and addendum","Acta Crystallographica Section C","1993","49","3","641","642","10.1107/S0108270192008096","","","0.70926","MoKα~1~","","","0.033","","","0.021","","","","","2","2","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2001931","8.86","0.008","11.007","0.002","16.316","0.004","90","","90","","90","","1591.2","1.5","","","","","","","","","","","","5","P n n a","-P 2a 2bc","","","","","- C14 H11 Fe N2 O10 -","- C14 H11 Fe N2 O10 -","- C56 H44 Fe4 N8 O40 -","4","0.5","BU0317","Marsh, R. E.","On the crystal structure of bis(dipicolinato)ferrate(III) dihydrate","Acta Crystallographica Section C","1993","49","3","643","","10.1107/S0108270192011673","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001932","3.8284","0.0006","3.8284","0.0006","37.914","0.005","90","","90","","120","","481.24","0.12","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cr Fe Ga Se4 -","- Cr Ga2 Se4 -","- Cr3 Ga6 Se12 -","3","0.0833333","SH1004","Lutz, H. D.; Stingl, T.","A new layered ZnIn~2~S~4~-(III<i>a</i>) polytype: structure of FeCr~0.8~Ga~1.2~Se~4~","Acta Crystallographica Section C","1993","49","2","207","209","10.1107/S0108270192006486","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","203285","2020-10-21","18:00:00",""
"2001933","12.637","0.001","5.251","0.001","13.748","0.001","90","","116.94","0.01","90","","813.28","0.19","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B4 In Li O10 Sr2 -","- B4 In Li O10 Sr2 -","- B16 In4 Li4 O40 Sr8 -","4","1","ST0580","Schaffers, K. I.; Keszler, D. A.","Structure of strontium lithium indium pyroborate, Sr~2~LiInB~4~O~10~","Acta Crystallographica Section C","1993","49","2","211","214","10.1107/S0108270192006383","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001934","5.68174","0.00015","5.68174","0.00015","12.7118","0.0004","90","","90","","90","","410.36","0.02","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K O4 Re -","- K4 O16 Re4 -","4","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001935","5.66115","0.00011","5.66115","0.00011","12.611","0.0003","90","","90","","90","","404.165","0.015","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K2 O4 Re -","- K8 O16 Re4 -","4","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001936","5.65029","0.00008","5.65029","0.00008","12.5556","0.0002","90","","90","","90","","400.847","0.01","","","","","","","","","","","","3","I 41/a","-I 4ad","","","","","- K O4 Re -","- K4 O16 Re4 -","- K4 O16 Re4 -","","","BR0017","Brown, R. J. C.; Powell, B. M.; Stuart, S. N.","Thermal effects in the structure of potassium perrhenate","Acta Crystallographica Section C","1993","49","2","214","216","10.1107/S0108270192003706","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001937","23.48","0.03","4.795","0.004","9.38","0.009","90","","90.08","0.09","90","","1056.1","1.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 H14 O4 Zn -","- C8 H14 O4 Zn2 -","- C32 H56 O16 Zn8 -","4","1","MU0285","Blair, J.; Howie, R. A.; Wardell, J. L.","Structure of monoclinic zinc <i>n</i>-butanoate","Acta Crystallographica Section C","1993","49","2","219","221","10.1107/S0108270192007108","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001938","13.624","0.003","13.943","0.003","8.205","0.002","101.29","0.01","90.08","0.01","69.14","0.02","1424.3","0.6","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H42 Cl2 Co2 N6 Ni O3 S6 -","- C12 H24 Cl3 Co2 N6 Ni O4 S6 -","- C24 H48 Cl6 Co4 N12 Ni2 O8 S12 -","2","1","AS1008","Konno, T.; Okamoto, K.; Hidaka, J.","Structure of bis[tris(2-aminoethanethiolato)cobalt(III)-μ-<i>S</i>,μ-<i>S'</i>,μ-<i>S''</i>]nickel(II) chloride trihydrate","Acta Crystallographica Section C","1993","49","2","222","224","10.1107/S010827019200622X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001939","8.739","0.002","12.743","0.002","9.533","0.001","90","","91.32","0.01","90","","1061.3","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Br2 Fe P4 -","- C12 H32 Br2 Fe P4 -","- C24 H64 Br4 Fe2 P8 -","2","0.5","HL1006","Field, L. D.; Hambley, T. W.; Yau, B. C. K.","Structure of <i>trans</i>-bis[1,2-bis(dimethylphosphino)ethane]dibromoiron(II)","Acta Crystallographica Section C","1993","49","2","224","226","10.1107/S0108270192004992","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001940","11.071","0.003","16.606","0.006","8.761","0.002","90","","90","","90","","1610.7","0.8","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 Co N2 Na O11 -","- C10 H20 Co N2 Na O11 -","- C40 H80 Co4 N8 Na4 O44 -","4","1","AS1006","Yamasaki, Y.; Kurisaki, T.; Yamaguchi, T.; Wakita, H.","Determination of the absolute configuration of sodium (‒)~589~-bis(<i>N</i>-methyliminodiacetato)cobaltate(III) trihydate","Acta Crystallographica Section C","1993","49","2","229","231","10.1107/S0108270192006401","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","199703","2020-10-21","18:00:00",""
"2001941","12.76","0.002","12.76","0.002","12.76","0.002","90","","90","","90","","2077.6","0.6","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","","","","","- C8 H24 Cl6 N2 Re -","- C8 H24 Cl6 N2 Re -","- C32 H96 Cl24 N8 Re4 -","4","0.0208333","LI1000","Loris, R.; Maes, D.; Lisgarten, J. N.; Bettinelli, M.; Flint, C.","Structure of bis(tetramethylammonium) hexachlororhenate(IV)","Acta Crystallographica Section C","1993","49","2","231","233","10.1107/S0108270192005444","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001942","26.414","0.003","12.433","0.002","11.41","0.002","90","","98.63","0.02","90","","3704.7","1","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C36 H34 Mn3 N4 O12 -","- C36 H34 Mn3 N4 O12 -","- C144 H136 Mn12 N16 O48 -","4","0.5","AS0573","Tsuneyoshi, K.; Kobayashi, H.; Miyamae, H.","Structure of hexa-μ-acetato-1κ^3^<i>O</i>:2κ^3^<i>O'</i>;2κ^3^<i>O</i>:3κ^3^<i>O'</i>-bis(1,10-phenanthroline)-1κ^2^<i>N</i>^1^,<i>N</i>^10^;2κ^2^<i>N</i>^1^,<i>N</i>^10^-trimanganese(II)","Acta Crystallographica Section C","1993","49","2","233","236","10.1107/S0108270192006395","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205830","2020-10-21","18:00:00",""
"2001943","9.918","0.002","15.395","0.003","13.453","0.002","90","","103.68","0.01","90","","1995.8","0.6","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51 H36 Cl Mn N4 -","- C51 H36 Cl Mn N4 -","- C102 H72 Cl2 Mn2 N8 -","2","0.5","MU0291","Armstrong, R. S.; Foran, G. J.; Hambley, T. W.","Structure of chloro(α,β,γ,δ-tetraphenylporphinato)manganese(III) toluene solvate","Acta Crystallographica Section C","1993","49","2","236","238","10.1107/S0108270192007133","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2001944","27.073","0.007","6.145","0.002","11.605","0.004","90","","107.24","0.03","90","","1843.9","1","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H30 N2 Ni O7 -","- C14 H30 N2 Ni O7 -","- C56 H120 N8 Ni4 O28 -","4","1","CD0088","Haendler, H. M.","<i>cis</i>-[Diaquabis(1-aminocyclohexanecarboxylato)nickel(II)]‒water (1/1)","Acta Crystallographica Section C","1993","49","2","238","241","10.1107/S0108270192005985","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2001945","4.862","0.002","5.952","0.002","13.448","0.004","90","","95.91","0.02","90","","387.1","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Ge O8 -","- C4 H8 Ge O8 -","- C8 H16 Ge2 O16 -","2","0.5","AS1003","Chiang, H.-C.; Wang, M.-H.; Ueng, C.-H.","Synthesis and structure of diaquabis(glycolato-<i>O</i>,<i>O''</i>)germanium(IV)","Acta Crystallographica Section C","1993","49","2","244","246","10.1107/S0108270192006218","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001946","9.901","0.005","12.664","0.01","10.998","0.005","90","","100.06","0.05","90","","1357.8","1.4","","","","","","","","","","","","5","P 1 21 1","","","","","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C44 H60 Cl4 N8 O20 -","4","2","CD0082","Blanchard, H.; James, M. N. G.; Kumar, R.; Wiebe, L. I.; Knaus, E. E.","Structure of (+)-(5<i>R</i>,6<i>R</i>)-5-chloro-6-methoxy-5,6-dihydro-1-(2',3'-didehydro-2',3'-dideoxy-β-<small>D</small>-<i>glycero</i>-2-enopentofuranosyl)thymine","Acta Crystallographica Section C","1993","49","2","246","250","10.1107/S0108270192003470","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001947","8.029","0.001","8.224","0.001","37.261","0.006","90","","90","","90","","2460.4","0.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C27 H28 O12 -","- C27 H28 O12 -","- C108 H112 O48 -","4","1","SE1002","Schmidt-Bäse, K.; Noltemeyer, M.; Egert, E.; Eigelt, E.; Zeeck, A.","Structure of the anthracycline antibiotic aranciamycin","Acta Crystallographica Section C","1993","49","2","250","253","10.1107/S0108270192005766","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001948","9.5616","0.0001","8.4696","0.0001","7.0568","0.0001","106.806","0.001","100.192","0.001","69.557","0.001","510.776","0.012","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O8 -","- C10 H6 O8 -","- C20 H12 O16 -","2","1","HU1002","Barrio, C.; García-Granda, S.; Gómez-Beltrán, F.","Structures of 1,2,3,4-benzenetetracarboxylic acid and 1,2,3,5-benzenetetracarboxylic acid dihydrate","Acta Crystallographica Section C","1993","49","2","253","257","10.1107/S0108270192006097","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001949","5.845","0.004","7.828","0.006","13.31","0.01","94.8","0.1","100.6","0.1","93.63","0.09","594.6","0.8","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O10 -","- C10 H10 O10 -","- C20 H20 O20 -","2","1","HU1002","Barrio, C.; García-Granda, S.; Gómez-Beltrán, F.","Structures of 1,2,3,4-benzenetetracarboxylic acid and 1,2,3,5-benzenetetracarboxylic acid dihydrate","Acta Crystallographica Section C","1993","49","2","253","257","10.1107/S0108270192006097","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001950","14.113","0.002","10.032","0.001","17.086","0.002","90","","103.55","0.01","90","","2351.7","0.5","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","HH1005","Lloyd, B. A.; Ericson, C.; Arif, A. M.; Allred, E. L.","Ketone pyramidalization in a tetracyclic perpendicular enone derivative","Acta Crystallographica Section C","1993","49","2","257","261","10.1107/S0108270192006838","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001951","7.288","0.001","12.432","0.003","24.392","0.002","90","","90","","90","","2210","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","HH1006","Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Patton, A.; Sharp, T. R.","A twisted pentacyclic ketone derivative","Acta Crystallographica Section C","1993","49","2","261","263","10.1107/S010827019200684X","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001952","7.0202","0.0005","8.789","0.003","9.548","0.001","68.807","0.002","80.34","0.008","78.087","0.014","534.6","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C26 H18 N2 O8 -","2","1","PA1004","Bideau, J. P.; Cotrait, M.; Buisson, J. P.; Demerseman, P.","Structure of a powerful mutagenic compound; 6-methoxy-2-nitronaphtho[1,8-<i>bc</i>]pyran","Acta Crystallographica Section C","1993","49","2","264","267","10.1107/S0108270192006875","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001953","10.975","0.002","19.937","0.003","8.742","0.004","90","","90.4","0.02","90","","1912.8","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cl10 N2 S2 Te2 -","- C32 H22 Cl10 N2 S2 Te2 -","- C64 H44 Cl20 N4 S4 Te4 -","2","0.5","AS1004","Kozawa, K.; Uchida, T.","Structure of benzo[<i>a</i>]phenothiazine pentachlorotellurate(IV)","Acta Crystallographica Section C","1993","49","2","267","270","10.1107/S0108270192005602","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001954","14.95","0.002","9.248","0.001","12.597","0.001","90","","100.98","0.01","90","","1709.7","0.3","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","KA0015","Ribár, B.; Stanković, S.; Mészáros, C.; Miljković, D.; Pejanović, V.; Petrović, J.","Structure of 3-methoxy-6α,17β-dihydroxyestra-1,3,5(10)-trien-7-one oxime","Acta Crystallographica Section C","1993","49","2","270","273","10.1107/S0108270192003007","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001955","9.211","0.001","13.201","0.001","16.031","0.001","90","","90","","90","","1949.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H31 O4 -","- C84 H124 O16 -","4","1","AL0521","Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.","Structure of a steriod fungal metabolite","Acta Crystallographica Section C","1993","49","2","273","275","10.1107/S0108270192005134","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001956","6.025","0.001","15.99","0.005","17.921","0.002","90","","90","","90","","1726.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(N,N-dibenzylamino)phenylacetonitrile","","- C22 H21 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","KA1003","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Structure and conformation of 3-(dibenzylamino)phenylacetonitrile","Acta Crystallographica Section C","1993","49","2","278","282","10.1107/S0108270192007856","","","1.54178","X-rayCu-Kαmean","","","0.0332","","","0.0298","","","","","0.4815","0.4815","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001957","6.021","0.001","15.989","0.004","17.906","0.005","90","","90","","90","","1723.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(N,N-dibenzylamino)phenylacetonitrile","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","KA1003","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Structure and conformation of 3-(dibenzylamino)phenylacetonitrile","Acta Crystallographica Section C","1993","49","2","278","282","10.1107/S0108270192007856","","","0.71069","Mo-Kα","","","0.0257","","","0.0259","","","","","0.6665","0.6665","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001958","11.327","0.002","13.842","0.002","10.959","0.002","90.68","0.02","110.13","0.01","99.1","0.02","1588.9","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 Cl2 N4 -","- C14 H20 Cl2 N4 -","- C56 H80 Cl8 N16 -","4","2","HH1002","Shin, W.; Oh, D.","Structure of amprolium hydrochloride","Acta Crystallographica Section C","1993","49","2","282","285","10.1107/S0108270192006711","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001959","10.185","0.006","12.036","0.005","12.194","0.006","92.21","0.03","108.48","0.03","106.1","0.03","1349","1.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl5 O4 P -","- C26 H18 Cl5 O4 P -","- C52 H36 Cl10 O8 P2 -","2","1","HL1007","Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.","Molecular co-crystals of carboxylic acids. 10. Structure of the 1:1 adduct of triphenylphosphine oxide with (pentachlorophenoxy)acetic acid","Acta Crystallographica Section C","1993","49","2","285","288","10.1107/S0108270192005572","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001960","23.949","0.005","6.804","0.001","22.893","0.005","90","","117.66","0.02","90","","3304.1","1.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","1","AB1013","Meetsma, A.; Boer, T. S.; Haitjema, H. J.; Tan, Y. Y.","Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)","Acta Crystallographica Section C","1993","49","2","288","292","10.1107/S0108270192007029","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001961","23.345","0.002","40.671","0.004","6.561","0.001","90","","90","","90","","6229.4","1.2","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C17 H17 N3 O2 -","- C17 N3 O2 -","- C272 N48 O32 -","16","1","AB1013","Meetsma, A.; Boer, T. S.; Haitjema, H. J.; Tan, Y. Y.","Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)","Acta Crystallographica Section C","1993","49","2","288","292","10.1107/S0108270192007029","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001962","3.91","0.02","6.141","0.002","34.44","0.03","90","","91.79","0.05","90","","827","4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Br O2 -","- C9 H5 Br O2 -","- C36 H20 Br4 O8 -","4","1","GR0206","Goud, B. S.; Desiraju, G. R.","Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen-bonding pattern","Acta Crystallographica Section C","1993","49","2","292","294","10.1107/S0108270192007807","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001963","16.822","0.005","18.556","0.006","14.429","0.005","90","","105.52","0.03","90","","4340","3","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O6.5 P S -","- C19 H25 N4 O7 P S -","- C152 H200 N32 O56 P8 S8 -","8","2","HH1007","Shin, W.; Cho, S. W.; Chae, C. H.","Structure of benfotiamine hemihydrate","Acta Crystallographica Section C","1993","49","2","294","298","10.1107/S0108270192006905","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001964","9.239","0.004","14.475","0.006","6.404","0.003","90","","91.19","0.05","90","","856.3","0.7","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N O7 -","- C15 H28 N O7 -","- C30 H56 N2 O14 -","2","1","BR1005","Hempel, A.; Camerman, N.; Hamodrakas, S. J.; Ottensmeyer, F. P.; Troganis, A.; Stassinopoulou, C. I.; Camerman, A.","2,2,6,6-Tetramethylpiperidine-1-oxyl-4-yl α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1993","49","2","298","300","10.1107/S0108270192006929","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001965","27.214","0.01","6.552","0.001","13.241","0.001","90","","113.35","0.02","90","","2167.6","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C20 H28 N6 O4 S -","- C20 H28 N6 O4 S -","- C80 H112 N24 O16 S4 -","4","0.5","LI1020","Bates, P. A.; Islam, S. A.; Sternberg, M. J. E.","Structure of debrisoquinium sulfate","Acta Crystallographica Section C","1993","49","2","300","303","10.1107/S010827019200893X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001966","12.036","0.003","28.753","0.003","8.451","0.003","90","","90","","90","","2924.6","1.3","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","CD0067","Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.","Structures of derivatives of the Diels‒Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone","Acta Crystallographica Section C","1993","49","2","303","307","10.1107/S0108270192007996","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001967","8.741","0.001","20.477","0.002","9.89","0.001","90","","92.17","0.01","90","","1768.9","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","CD0067","Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.","Structures of derivatives of the Diels‒Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone","Acta Crystallographica Section C","1993","49","2","303","307","10.1107/S0108270192007996","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001968","8.588","0.001","11.7","0.001","18.13","0.002","90","","90","","90","","1821.7","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N O -","- C21 H2 Cl N O -","- C84 H8 Cl4 N4 O4 -","4","1","BX0563","Platzbecker, R.; Will, G.; Hümmer, K.; Weckert, E.; Lauktien, G.; Frahm, A. W.","The absolute configuration of (+)-2-benzyl-2-[<i>N</i>-(α-phenylethyl)amino]cyclohexanone hydrochloride","Acta Crystallographica Section C","1993","49","2","307","310","10.1107/S0108270192008965","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001969","11.724","0.001","10.265","0.001","11.35","0.002","90","","99.39","0.01","90","","1347.6","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C9 H6 F12 O3 -","- C9 H6 F12 O3 -","- C36 H24 F48 O12 -","4","1","CD1006","Vittal, J. J.; Willis, C. J.","Structure of 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone","Acta Crystallographica Section C","1993","49","2","310","313","10.1107/S0108270192008515","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001970","9.295","0.002","11.029","0.003","20.01","0.004","90","","90","","90","","2051.3","0.8","","","","","","","","","","","","4","C 2 2 21","C 2c 2","","","","","- H14 N6 O25 Y2 -","- H14 N6 O25 Y2 -","- H56 N24 O100 Y8 -","4","0.5","KA1002","Ribár, B.; Kapor, A.; Scott, B.; Willett, R. D.","Reinvestigation of the structure of [Y(H~2~O)~5~(NO~3~)~2~][Y(H~2~O)~2~(NO~3~)~4~]","Acta Crystallographica Section C","1993","49","2","314","316","10.1107/S0108270192005687","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","191093","2020-10-21","18:00:00",""
"2001972","10.342","0.001","13.51","0.001","8.693","0.001","90","","90","","90","","1214.6","0.2","","","","","","","","","","","","5","P 21 21 2","","","","","","- C8 H32 Bi Cl7 N4 -","- C8 H32 Bi Cl7 N4 -","- C16 H64 Bi2 Cl14 N8 -","2","0.5","SE1009","Herdtweck, E.; Kreusel, U.","Structure of tetrakis(dimethylammonium) chloride hexachlorobismuthate(III), {[(CH~3~)~2~NH~2~]^+^}~4~.Cl^{‒^}.[BiCl~6~]^3{‒^}","Acta Crystallographica Section C","1993","49","2","318","320","10.1107/S0108270192007017","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001973","20.897","0.002","20.897","0.002","20.897","0.002","90","","90","","90","","9125.4","1.5","","","","","","","","","","","","6","F 2 3","F 2 2 3","","","","","- C48 H96 Br12 Cu O24 Tl6 -","- C48 Br12 Cu O24 Tl6 -","- C192 Br48 Cu4 O96 Tl24 -","4","0.0833333","HH0592","Kahwa, I. A.; Miller, D.; Mitchel, M.; Fronczek, F. R.","Structure of the thallium-rich complex [(Tl18-crown-6)~4~CuBr~4~][TlBr~4~]~2~","Acta Crystallographica Section C","1993","49","2","320","321","10.1107/S0108270192007054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001974","10.754","0.004","11.084","0.003","8.564","0.002","90","","90","","90","","1020.8","0.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C5 H16 Cl Co N4 O3 -","- C5 H16 Cl Co N4 O3 -","- C20 H64 Cl4 Co4 N16 O12 -","4","1","HU0389","García-Granda, S.; Calvo-Pérez, V.; Gómez-Beltrán, F.","Structure redetermination of carbonatobis(ethlenediamine)cobalt(III) chloride","Acta Crystallographica Section C","1993","49","2","322","324","10.1107/S0108270192006085","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001975","11.639","0.001","13.216","0.001","15.698","0.002","90","","107.48","0.01","90","","2303.2","0.4","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl2 N2 Ni O10 S2 -","- C16 H24 Cl2 N2 Ni O10 S2 -","- C64 H96 Cl8 N8 Ni4 O40 S8 -","4","1","SH1005","Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.","Structure of diaqua[1,8-bis(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N'</i>,<i>S</i>,<i>S'</i>]nickel(II) diperchlorate at 243 K","Acta Crystallographica Section C","1993","49","2","324","326","10.1107/S0108270192006474","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001976","13","0.02","15.42","0.003","20.281","0.008","94.39","0.03","89.91","0.04","114.65","0.04","3682","6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 Mo2 N2 O10 P4 -","- C10 Mo2 O10 -","- C20 Mo4 O20 -","2","1","HH0598","Bachman, R. E.; Whitmire, K. H.","Bis[bis(triphenylphosphine)iminium] decacarbonyldimolybdenum(<i>Mo{–</i>Mo})","Acta Crystallographica Section C","1993","49","2","327","328","10.1107/S0108270192006498","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001977","10.977","0.002","12.894","0.002","31.135","0.006","90","","90","","90","","4406.8","1.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O14 -","- C22 H25 O12.5 -","- C176 H200 O100 -","8","2","HA0108","Soriano-García, M.; Iribe, R. V.; Mendoza-Díaz, S.; del Rayo Camacho, M.; Mata, R.","Structure of 4-(3,4-dihydroxyphenyl)-5-(<i>O</i>-β-<small>D</small>-galactopyranosyl)-7-methoxycoumarin trihydrate","Acta Crystallographica Section C","1993","49","2","329","330","10.1107/S0108270192003974","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001978","9.0383","0.001","9.3596","0.0009","11.855","0.003","68.207","0.013","74.837","0.014","59.858","0.009","801.8","0.3","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H54 Si6 -","- C22 H54 Si6 -","- C22 H54 Si6 -","1","0.5","HE0040","Fronczek, F. R.; Lickiss, P. D.","Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane","Acta Crystallographica Section C","1993","49","2","331","333","10.1107/S0108270192002737","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001979","16.154","0.002","16.154","0.002","22.859","0.003","90","","90","","120","","5165.9","1.1","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- C18 H54 Si8 -","- C18 H54 Si8 -","- C108 H324 Si48 -","6","","HE0040","Fronczek, F. R.; Lickiss, P. D.","Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane","Acta Crystallographica Section C","1993","49","2","331","333","10.1107/S0108270192002737","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001980","25.269","0.002","23.347","0.002","8.306","0.002","90","","91.71","0.01","90","","4898","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H11 N S -","- C16 H11 N S -","- C256 H176 N16 S16 -","16","4","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001981","19.703","0.003","5.365","0.002","11.523","0.001","90","","95.48","0.01","90","","1212.5","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N S -","- C16 H11 N S -","- C64 H44 N4 S4 -","4","1","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001982","9.752","0.005","9.442","0.006","9.894","0.007","90","","99.24","0.05","90","","899.2","1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","GR0191","Hardgrove, Jnr, G. L.; Clark, J. S.; Hanson, R. M.; Thieu, A. Q.","Structure of (<i>S</i>,<i>S</i>)-(<i>E</i>)-3-(2-butenoyl)-2,4-bis(phenylmethyl)oxazolidine","Acta Crystallographica Section C","1993","49","2","336","338","10.1107/S0108270192004761","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2001983","5.725","0.001","9.038","0.001","10.401","0.002","101.37","0.01","102.63","0.01","102.83","0.01","494.67","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C22 H22 N2 O6 -","2","1","ST1000","Maverick, E.; Chiefari, J.; Lightner, D. A.","Structure of 6-(3,3-dimethyl-2-oxo-2,3-dihydro-5-furanyl)-2-pyridone at 145 K","Acta Crystallographica Section C","1993","49","2","338","340","10.1107/S0108270192005675","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001984","13.633","0.003","9.102","0.002","10.153","0.002","90","","90","","90","","1259.9","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","AS0584","Okada, K.; Koyama, H.","Structure of the germacrane furanosesquiterpenoid linderane","Acta Crystallographica Section C","1993","49","2","341","343","10.1107/S010827019200595X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001985","6.782","0.002","18.496","0.003","12.439","0.003","90","","99.34","0.01","90","","1539.7","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","AB1004","Leban, I.; Kočevar, M.; Verček, B.","Structure of 3-benzoylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrocoumarin","Acta Crystallographica Section C","1993","49","2","343","345","10.1107/S010827019200444X","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2001986","16.192","0.003","12.382","0.002","19.353","0.003","90","","104.99","0.01","90","","3748","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C21 H22 O1.5 P -","- C21 H22 O1.5 P -","- C168 H176 O12 P8 -","8","1","BR1002","Churchill, M. R.; See, R. F.; Randall, S. L.; Atwood, J. D.","Structure of tri-<i>p</i>-tolylphosphine oxide hemihydrate, P(<i>p</i>-C~6~H~4~CH~3~)~3~O.1/2H~2~O","Acta Crystallographica Section C","1993","49","2","345","347","10.1107/S0108270192006073","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001987","6.3555","0.0007","11.615","0.004","12.365","0.004","111.44","0.03","100.06","0.02","96.38","0.02","821.2","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","HL1002","White, J. M.; Robertson, G. B.","Low-temperature structures of <i>cis</i>-4-<i>tert</i>-butylcyclohexyl <i>p</i>-nitrobenzoate (1) and <i>trans</i>-4-<i>tert</i>-butylcyclohexyl <i>p</i>-nitrobenzoate (2)","Acta Crystallographica Section C","1993","49","2","347","350","10.1107/S0108270192006024","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","200776","2020-10-21","18:00:00",""
"2001988","5.9963","0.0007","15.511","0.004","17.244","0.004","83.15","0.02","89.73","0.01","87.94","0.02","1591.4","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","2","HL1002","White, J. M.; Robertson, G. B.","Low-temperature structures of <i>cis</i>-4-<i>tert</i>-butylcyclohexyl <i>p</i>-nitrobenzoate (1) and <i>trans</i>-4-<i>tert</i>-butylcyclohexyl <i>p</i>-nitrobenzoate (2)","Acta Crystallographica Section C","1993","49","2","347","350","10.1107/S0108270192006024","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001989","8.006","0.002","9.548","0.002","14.647","0.012","80.34","0.02","80.3","0.02","77.98","0.02","1069.2","0.9","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C46 H56 N4 O8 S2 -","2","1","CR0417","Bryant, Jnr, G. L.; Yakymyshyn, C. P.; Stewart, K. R.","Structure of 4'-dimethylamino-4-methyl-4-azastilbenium <i>p</i>-toluenesulfonate hydrate","Acta Crystallographica Section C","1993","49","2","350","351","10.1107/S0108270192005535","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2001990","8.303","0.014","8.733","0.001","12.998","0.002","90","","107.73","0.02","90","","897.7","1.5","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N4 -","- C8 H12 N4 -","- C32 H48 N16 -","4","1","CR0398","Shoja, M.; Saba, S.","1,3-Dicyanomethylhexahydropyrimidine","Acta Crystallographica Section C","1993","49","2","354","355","10.1107/S0108270192005614","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2001991","29.085","0.015","9.149","0.004","11.266","0.005","90","","90","","90","","2998","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H15 O P -","- C18 H15 O P -","- C144 H120 O8 P8 -","8","1","MU1009","Thomas, J. A.; Hamor, T. A.","Structure of orthorhombic triphenylphosphine oxide: a redetermination at room temperature","Acta Crystallographica Section C","1993","49","2","355","357","10.1107/S0108270192006176","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001992","7.768","0.001","26.621","0.003","7.467","0.001","90","","90","","90","","1544.1","0.3","","","","","","","","","","","","3","P n a 21","","","","","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","CR1011","Wallet, J.-C.; Wojtczak, A.; Cody, V.; Galitsky, N.; Gaydou, E. M.","5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)-4<i>H</i>-1-benzopyran-4-one (5,7-dihydroxy-2',3',4'-trimethoxyflavone)","Acta Crystallographica Section C","1993","49","2","357","359","10.1107/S010827019200670X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001993","10.58","0.005","9.803","0.004","13.61","0.007","90","","104.57","0.04","90","","1366.2","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C18 H40 Cl2 N2 Si4 -","- C18 H40 Cl2 N2 Si4 -","- C36 H80 Cl4 N4 Si8 -","2","0.5","SH1006","Auner, N.; Herdtweck, E.; Penzenstadler, E.","Structure of 1,3-di-<i>tert</i>-butyl-2,4-dichloro-2,4-bis[1-(trimethylsilyl)vinyl]-1,3-diaza-2,4-disilacyclobutane","Acta Crystallographica Section C","1993","49","2","359","360","10.1107/S0108270192006899","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001994","15.146","0.006","11.049","0.006","12.189","0.006","117.15","0.04","109.72","0.04","90.54","0.04","1676","4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- H42 N8 O32 P8 Te -","- H42 N8 O32 P8 Te -","- H84 N16 O64 P16 Te2 -","2","1","PA1019","Averbuch-Pouchot, M.-T.; Durif, A.","Ammonium <i>cyclo</i>-octaphosphate–telluric acid dihydrate adduct","Acta Crystallographica Section C","1993","49","2","361","363","10.1107/S0108270192009466","","","0.5608","AgKα","","","0.031","","","0.033","","","","","1.559","1.559","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2001995","27.558","0.005","5.55","0.002","20.855","0.003","90","","108.79","0.01","90","","3019.7","1.3","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sodium thiosulphate 2/3-hydrate","","","- H Na2 O4 S2 -","- H1.33333 Na2 O3.66667 S2 -","- H32 Na48 O88 S48 -","24","3","SE1007","Hesse, W.; Leutner, B.; Böhn, K.-H.; Walker, N. P. C.","Structure of a new sodium thiosulfate hydrate","Acta Crystallographica Section C","1993","49","2","363","365","10.1107/S0108270192009399","","","1.54178","CuKα","","0.0323","0.0262","","0.0967","0.0699","","","","1.081","1.114","1.114","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001996","10.059","0.007","10.226","0.007","29.416","0.015","90","","90","","90","","3026","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(π-allylhimachalène) α,α-dichlorodipalladium","","- C30 H46 Cl2 Pd2 -","- C33 H36 Cl2 Pd2 -","- C132 H144 Cl8 Pd8 -","4","1","PA1026","Chiaroni, A.; Riche, C.; El Firdoussi, L.; Benharref, A.; Karim, A.","Structure du bis(π-allylhimachalène)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1993","49","2","365","368","10.1107/S0108270192010552","","","0.7107","MoKα","","","0.051","","","0.064","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001997","11.137","0.003","16.016","0.003","11.765","0.003","90","","97.35","0.02","90","","2081.3","0.9","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C23 H21 N O S Sn -","- C23 H21 N O S Sn -","- C92 H84 N4 O4 S4 Sn4 -","4","1","LI1015","Okechukwu, R. C.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.","Structure of [<i>N</i>-(2-mercaptophenyl)-4-oxo-2-pentylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]diphenyltin(IV)","Acta Crystallographica Section C","1993","49","2","368","370","10.1107/S0108270192008928","","","0.71069","MoKα","","","0.0229","","","0.0216","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001998","9.082","0.002","31.835","0.007","9","0.002","90","","119.44","0.01","90","","2266.1","0.9","130","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C11 H10 Cu N3 -","- C11 H10 Cu N3 -","- C88 H80 Cu8 N24 -","8","2","AL1021","Olmstead, M. M.; Speier, G.; Szabó, L.","Structure of [Cu(CN)(py)~2~]","Acta Crystallographica Section C","1993","49","2","370","372","10.1107/S0108270192009326","","","0.71073","MoKα","","","0.032","","","0.035","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001999","9.177","0.002","13.393","0.002","19.624","0.003","90","","102.09","","90","","2358.4","0.7","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O9 Zn -","- C20 H18 Cl2 N4 O9 Zn -","- C80 H72 Cl8 N16 O36 Zn4 -","4","1","SP1002","Liu, M.; Arora, S. K.","Structure of aquabis(2,2'-bipyridyl)zinc(II) diperchlorate","Acta Crystallographica Section C","1993","49","2","372","374","10.1107/S0108270192009478","","","0.71069","MoKα","","","0.063","","","0.065","","","","","1.5","1.5","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002000","8.555","0.001","8.604","0.001","9.869","0.001","103.12","0.01","115.15","0.01","102.19","0.01","600.14","0.15","293","","","","","","","","","","","5","P -1","-P 1","2","","Bis(mu-cyclohexylphosphanido)-octacarbonyl-dimanganese","","- C20 H24 Mn2 O8 P2 -","- C20 H24 Mn2 O8 P2 -","- C20 H24 Mn2 O8 P2 -","1","0.5","NA1017","Flörke, U.; Haupt, H.-J.","Dimanganese octacarbonyl compounds with bridging cyclohexylphosphanes","Acta Crystallographica Section C","1993","49","2","374","376","10.1107/S0108270192010631","","","0.71073","MolybdenumKα","","","0.024","","","0.028","","","","","1.52","1.52","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002001","8.668","0.004","23.157","0.011","8.961","0.004","90","0.01","107.03","0.04","90","0.01","1719.8","1.4","293","","","","","","","","","","","5","C 1 2/m 1","","","","Bis(mu-dicyclohexylphosphanido)-octacarbonyl-dimanganese","","- C32 H44 Mn2 O8 P2 -","- C32 H44 Mn2 O8 P2 -","- C64 H88 Mn4 O16 P4 -","2","0.25","NA1017","Flörke, U.; Haupt, H.-J.","Dimanganese octacarbonyl compounds with bridging cyclohexylphosphanes","Acta Crystallographica Section C","1993","49","2","374","376","10.1107/S0108270192010631","","","0.71073","MolybdenumKα","","","0.04","","","0.045","","","","","1.776","1.776","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002002","8.722","0.001","10.24","0.001","10.997","0.001","109.38","0.01","96.64","0.01","109.02","0.01","847.92","0.18","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl2 Pt S2 -","- C16 H16 Cl2 Pt0.5 S2 -","- C32 H32 Cl4 Pt S4 -","2","1","BR1008","Parvez, M.; Fait, J. F.; Clark, P. D.; Jones, C. G.","<i>trans</i>-Dichlorobis(1,3-dihydrobenzo[<i>c</i>]thiophene-<i>S</i>)platinum(II)","Acta Crystallographica Section C","1993","49","2","376","377","10.1107/S0108270192009533","","","0.71069","MoKα","","","0.037","","","0.037","","","","","3.854","3.854","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002003","6.525","0.002","13.183","0.004","14.031","0.006","90","","99.16","0.04","90","","1191.5","0.7","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Fe N2 O3 -","- C13 H8 Fe N2 O3 -","- C52 H32 Fe4 N8 O12 -","4","1","SH1001","Irngartinger, H.; Oeser, T.; Köhler, C.-M.","Two iron–tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes","Acta Crystallographica Section C","1993","49","2","378","381","10.1107/S0108270192005924","","","0.71071","MoKα","","","0.028","","","0.036","","","","","1.64","1.64","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002004","8.18","0.001","8.097","0.001","23.059","0.004","90","","91.03","0.01","90","","1527","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H14 Fe O7 -","- C15 H14 Fe O7 -","- C60 H56 Fe4 O28 -","4","1","SH1001","Irngartinger, H.; Oeser, T.; Köhler, C.-M.","Two iron‒tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes","Acta Crystallographica Section C","1993","49","2","378","381","10.1107/S0108270192005924","","","0.71071","MoKα","","","0.029","","","0.038","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002005","7.959","0.001","11.488","0.004","11.559","0.002","91.58","0.02","101.69","0.01","91.62","0.02","1033.9","0.4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl Fe N O7 -","- C23 H18 Cl Fe N O7 -","- C46 H36 Cl2 Fe2 N2 O14 -","2","1","NA1009","Wang, J.-C.; Sun, C.-H.; Yang, G.-Z.; Fronczek, F. R.; Watkins, S. F.","Structure of [Fe(C~16~H~14~ClNO~4~)(CO)~3~]","Acta Crystallographica Section C","1993","49","2","381","383","10.1107/S0108270192009934","","","0.71073","MoKα","","","0.049","","","0.056","","","","","2.649","2.649","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002006","7.947","0.002","31.447","0.003","10.275","0.001","90","","109.57","0.01","90","","2419.5","0.7","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C24 H24 Cl3 Rh S3 -","- C24 H24 Cl3 Rh S3 -","- C96 H96 Cl12 Rh4 S12 -","4","1","BR1009","Parvez, M.; Fait, J. F.; Clark, P. D.; Jones, C. G.","<i>mer</i>-Trichlorotris(2,3-dihydrobenzo[<i>b</i>]thiophene-<i>S</i>)rhodium(III)","Acta Crystallographica Section C","1993","49","2","383","385","10.1107/S0108270192009545","","","0.71069","MoKα","","","0.046","","","0.03","","","","","2.377","2.377","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002007","6.61","0.005","11.272","0.003","10.738","0.003","90","","90","","90","","800.1","0.7","83","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","LI1018","Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A.","Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione","Acta Crystallographica Section C","1993","49","2","385","387","10.1107/S0108270192008497","","","0.70926","Mo","","","0.035","","","0.036","","","","","1.08","1.08","","","","","has coordinates","203418","2020-10-21","18:00:00",""
"2002008","7.387","0.001","10.719","0.002","12.325","0.002","90","","90","","90","","975.9","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","CD1007","Boys, D.; Manríquez, V.; Cassels, B. K.","Structure of (<i>E</i>)-1-(4-methoxyphenyl)-2-nitropropene","Acta Crystallographica Section C","1993","49","2","387","388","10.1107/S0108270192009193","","","0.71073","MoKα","","","0.039","","","0.055","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002009","11.749","0.003","12.028","0.002","15.652","0.006","90","","93.26","0.03","90","","2208.3","1.1","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 I3 P -","- C20 H20 I3 P -","- C80 H80 I12 P4 -","4","1","CD1009","Bélanger, S.; Beauchamp, A. L.","Structure of ethyltriphenylphosphonium triiodide, [P(C~2~H~5~)(C~6~H~5~)~3~]I~3~","Acta Crystallographica Section C","1993","49","2","388","391","10.1107/S010827019200920X","","","1.54178","CuKα","","","0.049","","","0.048","","","","","1.73","1.73","","","","","has coordinates","203419","2020-10-21","18:00:00",""
"2002010","6.841","0.008","7.219","0.006","18.51","0.02","90","","90","","90","","914.1","1.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","HL1013","Koh, L. L.; Lee, C.-K.; Sim, K. Y.; Zhu, J.","Structure of 1-deoxycastanospermine","Acta Crystallographica Section C","1993","49","2","391","392","10.1107/S0108270192009120","","","0.71069","MoKα","","","0.04","","","0.05","","","","","1.74","1.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002011","15.76","0.002","10.832","0.002","16.611","0.002","90","","116.34","0.01","90","","2541.3","0.7","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C31 H25 N3 P2 -","- C31 H25 N3 P2 -","- C124 H100 N12 P8 -","4","0.5","BR1015","Chandrasekhar, V.; Chivers, T.; Parvez, M.","Structure of 2,2,4,4,6-pentaphenyl-2,4,1,3,5-diphosphatriazine; a six-membered P~2~N~3~C ring","Acta Crystallographica Section C","1993","49","2","393","394","10.1107/S0108270192009715","","","0.71093","MoKα","","","0.049","","","0.04","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002012","7.815","0.002","7.07","0.001","14.475","0.003","90","","97.07","0.03","90","","793.7","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","SP1003","Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.","Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)","Acta Crystallographica Section C","1993","49","2","394","398","10.1107/S0108270192009685","","","0.71069","MoKα","","","0.055","","","0.04","","","","","2.375","2.375","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002013","7.713","0.001","13.359","0.002","15.557","0.002","90","","99.85","0.01","90","","1579.3","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C64 H56 N16 O16 -","4","1","SP1003","Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.","Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)","Acta Crystallographica Section C","1993","49","2","394","398","10.1107/S0108270192009685","","","0.71069","MoKα","","","0.044","","","0.033","","","","","2.661","2.661","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002014","11.905","0.003","6.274","0.001","9.176","0.001","90","","94.97","0.01","90","","682.8","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C28 H20 N8 O8 -","2","0.5","SP1003","Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.","Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)","Acta Crystallographica Section C","1993","49","2","394","398","10.1107/S0108270192009685","","","0.71069","MoKα","","","0.051","","","0.038","","","","","2.575","2.575","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002015","7.526","0.002","19.107","0.002","5.785","0.002","90","","90","","90","","831.9","0.4","173","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 D8 O -","- C24 D16 O2 -","- C96 D64 O8 -","4","0.5","ST1020","Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.","Structure of dibenzofuran-<i>d</i>~8~, C~12~D~8~O, at 173 K","Acta Crystallographica Section C","1993","49","2","398","400","10.1107/S0108270192009375","","","0.71073","MoKα","","","0.051","","","0.064","","","","","2.11","2.11","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002016","14.91","0.02","13.48","0.02","13.01","0.01","90","","90.47","0.07","90","","2615","6","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane","","- C13 H24 O3 -","- C13 H24 O3 -","- C104 H192 O24 -","8","2","AB1017","Jerzykiewicz, L. B.; Dziewońska-Baran, D.; Baran, J.; Lis, T.","Structure of 1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1993","49","2","400","402","10.1107/S0108270192010175","","","1.5418","CuKα","","","0.037","","","0.035","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2002017","14.93","0.002","11.193","0.001","17.211","0.001","90","","99.896","0.005","90","","2833.4","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Xylyl-(18-crown-5)-ammonium-catecholborate","","- C28 H36 B N O9 -","- C28 H36 B N O9 -","- C112 H144 B4 N4 O36 -","4","1","AB1034","Goddard, R.; Niemeyer, C. M.; Reetz, M. T.","Structure of 1,3-xylyl-(18-crown-5)‒ammonium catecholborate (1/1)","Acta Crystallographica Section C","1993","49","2","402","404","10.1107/S0108270192010485","","","0.71069","MoKα","","0.109","0.06","","","0.059","","","","","1.97","1.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002018","10.609","0.004","13.705","0.007","23.535","0.006","90","","90","","90","","3422","2","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C38 H28 N3 O6 P3 -","- C38 H28 N3 O6 P3 -","- C152 H112 N12 O24 P12 -","4","0.5","AS1012","Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.","Structure of 1:1 clathrate between tris(2,3-naphthalenedioxy)cyclotriphosphazene and <i>p</i>-xylene","Acta Crystallographica Section C","1993","49","2","404","406","10.1107/S0108270192009089","","","1.54178","CuKα","","","0.041","","","0.0484","","","","","2.24","2.24","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2002019","8.028","0.004","5.456","0.003","24.035","0.009","90","","90","","90","","1052.8","0.9","223","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","1","BR1010","Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C.","Structure of 2-phenylacetophenone","Acta Crystallographica Section C","1993","49","2","406","408","10.1107/S0108270192009442","","","0.7107","MoKα","","","0.033","","","0.037","","","","","2.79","2.79","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002020","8.518","0.001","23.151","0.003","7.112","0.001","90","","111.6","0.2","90","","1304","1.8","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N3 O7 -","- C25 H31 N3 O7 -","- C50 H62 N6 O14 -","2","1","CD1012","Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.","Structure of <i>Z</i>-<small>L</small>-(αMe)Phe-(<small>L</small>-Ala)~2~-OMe monohydrate","Acta Crystallographica Section C","1993","49","2","408","410","10.1107/S0108270192010023","","","0.7107","MoKα","","","0.065","","","0.075","","","","","1.48","1.48","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002021","9.894","0.001","10.971","0.002","5.658","0.001","102.9","0.01","91.17","0.01","81.14","0.01","591.45","0.16","298","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","AS1019","Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.","Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)","Acta Crystallographica Section C","1993","49","2","410","413","10.1107/S0108270192009491","","","0.71073","MoKα","","","0.044","","","0.047","","","","","1.79","1.79","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002022","13.406","0.002","13.346","0.002","6.86","0.002","90","","104.61","0.02","90","","1187.7","0.4","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","AS1019","Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.","Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)","Acta Crystallographica Section C","1993","49","2","410","413","10.1107/S0108270192009491","","","0.71073","MoKα","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002023","12.109","0.002","10.649","0.002","10.407","0.001","90","","98.3","0.01","90","","1327.9","0.4","298","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","AS1019","Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.","Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)","Acta Crystallographica Section C","1993","49","2","410","413","10.1107/S0108270192009491","","","0.71073","MoKα","","","0.048","","","0.05","","","","","1.87","1.87","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002024","22.805","0.001","15.156","0.001","8.004","0.002","90","","91.66","0.01","90","","2765.3","0.7","296","1","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C20 H23 N5 O10 -","- C20 H23 N5 O10 -","- C80 H92 N20 O40 -","4","1","HU1015","Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.","Structure of a 6-(tetrahydroxybutyl)-substituted pteridine","Acta Crystallographica Section C","1993","49","2","413","416","10.1107/S0108270192009831","","","1.54178","CuKα","","","0.075","","","0.091","","","","","4.005","4.005","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002025","9.62","0.002","8.005","0.001","13.119","0.002","90","","109.98","0.01","90","","949.5","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H5 O10 P3 Pr2 -","- H5 O10 P3 Pr2 -","- H20 O40 P12 Pr8 -","4","1","DU0341","Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.","Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd)","Acta Crystallographica Section C","1993","49","1","1","4","10.1107/S0108270192004050","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002026","9.581","0.002","7.98","0.002","13.056","0.003","90","","108.95","0.01","90","","944.1","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H5 Nd2 O10 P3 -","- H5 Nd2 O10 P3 -","- H20 Nd8 O40 P12 -","4","1","DU0341","Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.","Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd)","Acta Crystallographica Section C","1993","49","1","1","4","10.1107/S0108270192004050","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002027","7.407","0.004","3.625","0.003","9.966","0.003","90","","109.16","0.03","90","","252.8","0.3","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Fe Ta Te3 -","- Fe Ta Te3 -","- Fe2 Ta2 Te6 -","2","1","HE0023","Liu, S.-X.; Cai, G.-L.; Huang, J.-L.","Structure of a new ternary chalcogenide: FeTa(μ~4~-Te)(μ~3~-Te)~2~","Acta Crystallographica Section C","1993","49","1","4","7","10.1107/S010827019200355X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002028","7.5214","0.0005","7.5214","0.0005","9.261","0.001","90","","90","","90","","523.91","0.08","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- F2 O5 S2 -","- F2 O5 S2 -","- F8 O20 S8 -","4","0.5","HA0109","Blake, A. J.; Žák, Z.","Structure of disulfuryl difluoride at 100 K","Acta Crystallographica Section C","1993","49","1","7","9","10.1107/S0108270192005547","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","207412","2020-10-21","18:00:00",""
"2002029","10.28","0.001","13.905","0.002","14.533","0.002","90","","90.3","0.01","90","","2077.4","0.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H28 Cl3 Co N6 O13 -","- C7 H26 Cl3 Co N6 O15 -","- C28 H104 Cl12 Co4 N24 O60 -","4","1","AS0569","Searle, G. H.; Tiekink, E. R. T.; Atkinson, I. M.; Keene, F. R.","Structure of the stable isomer of the bis(ethane-1,2-diamine)(<i>N</i>-methylethane-1,2-diamine)cobalt(III) cation, [Co(meen)(en)~2~]^3+^","Acta Crystallographica Section C","1993","49","1","13","16","10.1107/S0108270192005092","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002030","10.891","0.003","8.312","0.002","20.507","0.006","90","","97.21","0.02","90","","1841.7","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 O20 U -","- C28 H44 N2 O20 U -","- C56 H88 N4 O40 U2 -","2","0.5","DU0322","Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.","Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)","Acta Crystallographica Section C","1993","49","1","16","19","10.1107/S0108270192004980","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002031","8.477","0.002","8.809","0.002","16.7","0.003","105.18","0.02","82.42","0.02","110.08","0.02","1129.2","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N2 O15 -","- C14 H24 N2 O15 U -","- C28 H48 N4 O30 U2 -","2","1","DU0322","Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.","Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)","Acta Crystallographica Section C","1993","49","1","16","19","10.1107/S0108270192004980","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002032","22.503","0.005","7.491","0.002","17.367","0.002","90","","110.76","0.01","90","","2737.5","1","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C20 H32 Cu2 N6 O10 S2 -","- C20 H32 Cu2 N6 O10 S2 -","- C80 H128 Cu8 N24 O40 S8 -","4","0.5","DU0311","Gutiérrez, J. N.; Garcia, E. A.; Viossat, B.; Dung, Nguyen-Huy; Busnot, A.; Hemidy, J. F.","Structure of μ-[cystamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato(4‒)]-bis(5-methylimidazole)dicopper(II) dihydrate","Acta Crystallographica Section C","1993","49","1","19","22","10.1107/S0108270192004682","","","0.1707","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002033","10.002","0.002","10.639","0.001","15.616","0.004","90","","102.05","0.02","90","","1625.1","0.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl6 N4 Sn -","- C24 Cl6 N4 Sn -","- C48 Cl12 N8 Sn2 -","2","0.5","GE0308","Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.","Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate","Acta Crystallographica Section C","1993","49","1","22","26","10.1107/S0108270192005158","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002034","9.998","0.002","10.649","0.001","15.637","0.004","90","","102.03","0.02","90","","1628.3","0.6","","","","","","","","","","","","5","P 1 21 1","","","","","","- C24 H42 Cl6 N4 Sn -","- C25 Cl6 N4 Sn -","- C50 Cl12 N8 Sn2 -","2","1","GE0308","Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.","Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate","Acta Crystallographica Section C","1993","49","1","22","26","10.1107/S0108270192005158","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002035","10.788","0.001","18.56","0.001","8.158","0.001","90","","96.18","0.01","90","","1623.9","0.3","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 Cl5 N2 O2 Sn -","- C6 H17 Cl5 N2 O2 Sn -","- C24 H68 Cl20 N8 O8 Sn4 -","4","1","GE0302","Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.","Geometry of the iminium moiety. IV. Structure of 4,5-dihydro-3,5,5-trimethylpyrazolium aquapentachlorostannate monohydrate","Acta Crystallographica Section C","1993","49","1","26","30","10.1107/S0108270192005146","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002036","8.276","0.001","12.032","0.002","12.987","0.002","90","","97.11","0.01","90","","1283.3","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H14 Cl2 Ti -","- C18 H18 Cl2 Ti -","- C72 H72 Cl8 Ti4 -","4","1","CD0086","Gelmini, L.; Puddephatt, R. J.; Vittal, J. J.","Structure of dichloro(η^5^-cyclopentadienyl)(2-propenyl-η^5^-cyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","1993","49","1","30","33","10.1107/S0108270192004281","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002037","12.284","0.007","14.509","0.004","19.308","0.007","90","","93.33","0.04","90","","3435","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C38 H35 Br2 O2 P2 Re -","- C40 H40 Br2 O2 P2 Re -","- C160 H160 Br8 O8 P8 Re4 -","4","0.5","CD0087","Lebuis, A.-M.; Roux, C.; Beauchamp, A. L.","Structure of <i>trans</i>-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1993","49","1","33","36","10.1107/S0108270192004748","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002038","6.891","0.002","9.674","0.002","6.946","0.001","90","","100.07","0.02","90","","455.91","0.18","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","HU0409","Katrusiak, A.","A new polymorph of maleic hydrazide","Acta Crystallographica Section C","1993","49","1","36","39","10.1107/S0108270192004918","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002039","11.831","0.002","11.831","0.002","19.948","0.007","90","","90","","120","","2418.1","1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C84 H150 N6 O30 -","6","1","AL1005","Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S.","Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine","Acta Crystallographica Section C","1993","49","1","40","42","10.1107/S0108270192004517","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002040","8.291","0.002","10.759","0.003","13.169","0.003","108.42","0.02","93.28","0.02","100.3","0.3","1088.4","1.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 Cl2 N5 O3 S -","- C19 H23 Cl2 N5 O3 S -","- C38 H46 Cl4 N10 O6 S2 -","2","1","HA0106","Prout, K.; Burns, K.; Watkin, D. J.; Durant, G. J.; Brown, T. H.","Structure of oxmetidine dihydrochloride (SKF 92994)","Acta Crystallographica Section C","1993","49","1","44","46","10.1107/S0108270192003548","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002041","7.057","0.002","13.017","0.003","13.982","0.003","90","","92.57","0.04","90","","1283.1","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H16 Cl2 N2 O2 -","- C10 H16 Cl2 N2 O2 -","- C40 H64 Cl8 N8 O8 -","4","1","CD0059","Zhan, Y.; Barton, R. J.; Robertson, B. E.","Structure of 2,3-naphthalenediamine dihydrochloride dihydrate","Acta Crystallographica Section C","1993","49","1","46","48","10.1107/S0108270192004736","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002042","5.945","0.001","10.941","0.002","18.277","0.004","90","","90","","90","","1188.8","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N4 O4 -","- C11 H10 N4 O4 -","- C44 H40 N16 O16 -","4","1","CR0389","Cheer, C. J.; Kavounis, C. A.; Bozopoulos, A. P.; Rentzeperis, P. J.; Theocharis, A. B.","Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole","Acta Crystallographica Section C","1993","49","1","49","52","10.1107/S0108270192005195","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2002043","7.611","0.003","9.427","0.005","18.603","0.014","90","","90","","90","","1334.7","1.3","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C7 F5 N -","- C7 F5 N -","- C56 F40 N8 -","8","0.5","SH1000","Lentz, D.; Preugschat, D.","Structure of pentafluorophenyl isocyanide at 115 K","Acta Crystallographica Section C","1993","49","1","52","54","10.1107/S0108270192006462","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"2002044","23.073","0.001","17.34","0.003","7.299","0.001","90","","90","","90","","2920.2","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C136 H144 O24 S8 -","8","1","AS0338","Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.","Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane","Acta Crystallographica Section C","1993","49","1","54","57","10.1107/S0108270192004529","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002045","9.873","0.009","10.009","0.005","11.024","0.007","56.67","0.03","55.68","0.05","69.65","0.05","750.6","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C34 H36 O6 S2 -","2","1","AS0338","Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.","Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane","Acta Crystallographica Section C","1993","49","1","54","57","10.1107/S0108270192004529","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002046","11.213","0.002","6.168","0.001","15.268","0.003","90","","95.07","0.01","90","","1051.8","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H17 N O -","- C12 H17 N O -","- C48 H68 N4 O4 -","4","1","SH1003","Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.","Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative","Acta Crystallographica Section C","1993","49","1","57","62","10.1107/S0108270192005936","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002047","9.532","0.001","9.218","0.001","13.496","0.002","90","","97.57","0.01","90","","1175.5","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O -","- C14 H18 O -","- C56 H72 O4 -","4","1","SH1003","Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.","Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative","Acta Crystallographica Section C","1993","49","1","57","62","10.1107/S0108270192005936","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002048","8.618","0.001","22.054","0.005","7.871","0.001","90","","93.24","0.01","90","","1493.6","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","1","SH1003","Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.","Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative","Acta Crystallographica Section C","1993","49","1","57","62","10.1107/S0108270192005936","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002049","11.796","0.003","11.483","0.002","11.312","0.002","90","","96.1","0.02","90","","1523.6","0.5","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H24 O -","- C18 H24 O -","- C72 H96 O4 -","4","1","SH1003","Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.","Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative","Acta Crystallographica Section C","1993","49","1","57","62","10.1107/S0108270192005936","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002050","9.675","0.002","12.997","0.002","6.454","0.001","91.14","0.02","100.51","0.02","70.34","0.02","750.7","0.3","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O -","- C17 H24 O -","- C34 H48 O2 -","2","1","SH1003","Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.","Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative","Acta Crystallographica Section C","1993","49","1","57","62","10.1107/S0108270192005936","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002051","7.136","0.001","12.342","0.001","20.049","0.003","90","","90","","90","","1765.8","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","LI1003","Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.","Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione","Acta Crystallographica Section C","1993","49","1","62","64","10.1107/S0108270192004566","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2002052","6.954","0.001","9.049","0.001","11.541","0.002","73.87","0.01","74.47","0.01","87.79","0.01","671.67","0.18","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cl N O S -","- C13 H16 Cl N O S -","- C26 H32 Cl2 N2 O2 S2 -","2","1","HH1001","Shin, W.; Chae, C. H.","Structure of 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride","Acta Crystallographica Section C","1993","49","1","68","70","10.1107/S0108270192005638","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","200776","2020-10-21","18:00:00",""
"2002053","12.002","0.002","11.013","0.002","12.652","0.003","90","","106.24","0.03","90","","1605.6","0.6","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","CD0080","Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R.","Structure of a chalcone","Acta Crystallographica Section C","1993","49","1","70","72","10.1107/S0108270192006152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2002054","14.659","0.001","16.591","0.001","37.558","0.005","90","","90.38","0.01","90","","9134.2","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C50 H62 N2 O4 -","- C50 H62 N2 O4 -","- C400 H496 N16 O32 -","8","1","PA1003","Guelzim, A.; Khrifi, S.; Baert, F.; Loeber, C.; Asfari, Z.; Matt, D.; Vicens, J.","Structure of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene","Acta Crystallographica Section C","1993","49","1","72","75","10.1107/S0108270192007005","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002055","9.1584","0.0014","6.91","0.003","20.224","0.004","90","","96.241","0.014","90","","1272.3","0.6","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B Br O6 -","- C25 H30 B Br O6 -","- C50 H60 B2 Br2 O12 -","2","1","BR1003","Drouin, M.; Michel, A. G.; Guindon, Y.; Ogilvie, W.","Structure of dimethyl (2<i>R</i>,3<i>R</i>)-2-{[(<i>S</i>)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate","Acta Crystallographica Section C","1993","49","1","75","77","10.1107/S0108270192005973","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002056","7.234","0.003","5.181","0.001","11.524","0.003","90","","92.94","0.03","90","","431.3","0.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B8 Ca8 O20 -","4","1","AB0264","Ji, Y.; Liang, J.; Xie, S.; Zhu, N.; Li, Y.","Structure of 2CaO.B~2~O~3~","Acta Crystallographica Section C","1993","49","1","78","79","10.1107/S0108270192002130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2002057","16.167","0.004","10.186","0.002","33.424","0.007","90","","99.94","0.02","90","","5422","2","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl N O15 P2 Rh6 -","- C51 H30 Cl N O15 P2 Rh6 -","- C204 H120 Cl4 N4 O60 P8 Rh24 -","4","1","ST0574","Rheingold, A. L.; White, C. B.; Macklin, P. D.; Geoffroy, G. L.","Bis(triphenylphosphine)iminium tetra-μ~3~-carbonyl-undecacarbonylchloro-<i>octahedro</i>-hexarhodium","Acta Crystallographica Section C","1993","49","1","80","81","10.1107/S0108270192005018","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002058","10.439","0.002","12.605","0.001","13.307","0.001","107.77","0.01","100.45","0.01","107.76","0.01","1513.5","0.4","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H25 F3 Fe O3 P Rh -","- C33 H25 F3 Fe O3 P Rh -","- C66 H50 F6 Fe2 O6 P2 Rh2 -","2","1","AL0523","Lamprecht, G. J.; Swarts, J. C.; Conradie, J.; Leipoldt, J. G.","Structure of carbonyl[(ferrocenecarbonyl)trifluoroacetonato-κ<i>O</i>,κ<i>O</i>]triphenylphosphinerhodium(I)","Acta Crystallographica Section C","1993","49","1","82","84","10.1107/S0108270192002506","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002059","8.774","0.001","15.474","0.002","8.635","0.001","90","","90.56","0.01","90","","1172.3","0.2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C10 H10 Cl2 N2 Pd -","- C10 H10 Cl2 N2 Pd -","- C40 H40 Cl8 N8 Pd4 -","4","0.5","DU1002","Viossat, B.; Dung, Nguyen-Huy; Robert, F.","Structure du <i>trans</i>-dichlorobis(pyridine)palladium(II)","Acta Crystallographica Section C","1993","49","1","84","85","10.1107/S0108270192004438","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002060","12.4367","0.0008","12.719","0.0006","18.0229","0.0008","90","","90","","90","","2850.9","0.3","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H27 F6 O P2 Rh S3 -","- C31 H39 F14 O P2 Rh S3 -","- C124 H156 F56 O4 P8 Rh4 S12 -","4","0.5","HA0111","Blake, A. J.; Halcrow, M. A.; Schröder, M.","[Rh([9]aneS~3~)(CO)(PPh~3~)]^+^.PF~6~^{-^}","Acta Crystallographica Section C","1993","49","1","85","87","10.1107/S0108270192004943","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002061","11.415","0.005","11.185","0.005","9.075","0.004","90","","96.93","0.03","90","","1150.2","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N Ni S4 -","- C22 H25 N Ni S4 -","- C44 H50 N2 Ni2 S8 -","2","1","HA1008","Anderson, I. H.; Blake, A. J.; Heath, G. A.","(Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')(1,3-diphenyl-1,3-propanedithionato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1993","49","1","87","89","10.1107/S0108270192005560","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002062","7.969","0.002","8.402","0.002","14.747","0.003","103.24","0.03","90.05","0.03","111.29","0.03","891.7","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl3 N8 Rh -","- C12 H16 Cl3 N8 Rh -","- C24 H32 Cl6 N16 Rh2 -","2","1","ST0582","Ma, R.; Li, Y.-J.; Muir, J. A.; Muir, M. M.","Structure of <i>trans</i>-dichlorotetrakis(pyrazole-<i>N</i>^2^) rhodium(III) chloride","Acta Crystallographica Section C","1993","49","1","89","91","10.1107/S0108270192004293","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002063","16.632","0.004","16.906","0.003","19.332","0.003","90","","93.15","0.02","90","","5427.6","1.8","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Cl2 Co2 Mn O8 P2 Sb -","- C55 H40 Cl2 Co2 Mn O8 P2 Sb -","- C220 H160 Cl8 Co8 Mn4 O32 P8 Sb4 -","4","1","LI1004","Farrugia, L. J.; Norman, N. C.; Webster, P. M.","Structure of [SbCl{Mn(CO)~2~(η^5^-C~5~H~5~)}{Co(CO)~3~(PPh~3~)}~2~].C~6~H~5~Cl","Acta Crystallographica Section C","1993","49","1","91","93","10.1107/S0108270192004578","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2002064","6.486","0.002","10.921","0.002","12.542","0.001","79.9","0.01","88.87","0.02","73.5","0.02","838.2","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O -","- C20 H23 N O -","- C40 H46 N2 O2 -","2","1","AB0270","Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.","Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone","Acta Crystallographica Section C","1993","49","1","93","95","10.1107/S0108270192004207","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002065","7.42","0.002","23.118","0.001","10.624","0.002","90","","90","","90","","1822.4","0.6","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21 Cl2 N O -","- C20 H21 Cl2 N O -","- C80 H84 Cl8 N4 O4 -","4","0.5","AB0270","Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.","Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone","Acta Crystallographica Section C","1993","49","1","93","95","10.1107/S0108270192004207","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2002066","7.383","0.001","13.134","0.005","14.51","","90","","90","","90","","1407","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","KA1001","Soriano-García, M.","Refinement of the structure of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate","Acta Crystallographica Section C","1993","49","1","96","97","10.1107/S0108270192004724","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002067","8.929","0.002","8.99","0.002","8.094","0.002","103.79","0.02","116.71","0.02","67.86","0.02","535.7","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","AB0271","Sekar, K.; Parthasarathy, S.; Prabahar, K. J.; Ramakrishnan, V. T.","Structure of 1,8-dimethyl-4-oxo-1,2,2a,3,4,5-hexahydrocyclopenta[<i>de</i>]quinoline","Acta Crystallographica Section C","1993","49","1","97","99","10.1107/S0108270192004219","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2002068","14.422","0.003","7.468","0.008","8.27","0.002","90","","97.47","0.01","90","","883.1","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","HA1004","Nicholson, W. V.; Sawyer, L.; Taylor, P.; Dawson, I.; Gould, R. O.","4-Methoxyindan-1-one oxime","Acta Crystallographica Section C","1993","49","1","101","103","10.1107/S0108270192005663","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002069","13.978","0.008","7.467","0.009","16.452","0.009","90","","114.11","0.04","90","","1567","2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H19 Cl2 N O -","- C15 H19 Cl2 N O -","- C60 H76 Cl8 N4 O4 -","4","1","AL0475","Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.","(4<i>E</i>,8<i>Z</i>,12<i>E</i>)-13,16-Dichloro-14-azabicyclo[10.4.0]hexadeca-4,8,12-trien-15-one: a thermal cycloaddition product","Acta Crystallographica Section C","1993","49","1","103","104","10.1107/S0108270192005110","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002070","5.269","0.002","19.781","0.006","6.768","0.002","90","","106.46","0.02","90","","676.5","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","HL1008","Koh, L. L.; Ng, A. S.","Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)","Acta Crystallographica Section C","1993","49","1","105","107","10.1107/S0108270192005584","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002071","13.074","0.004","14.196","0.005","8.365","0.002","90","","102.87","0.02","90","","1513.5","0.8","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","HL1008","Koh, L. L.; Ng, A. S.","Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)","Acta Crystallographica Section C","1993","49","1","105","107","10.1107/S0108270192005584","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002072","36.276","0.007","10.469","0.003","8.229","0.003","90","","90","","90","","3125.2","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C17 H18 N2 O S -","- C17 H18 N2 O S -","- C136 H144 N16 O8 S8 -","8","1","CD0069","Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N.","Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole","Acta Crystallographica Section C","1993","49","1","107","109","10.1107/S0108270192003469","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002073","6.104","0.002","19.538","0.002","9.286","0.002","90","","93.28","0.02","90","","1105.6","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl3 N O3 -","- C9 H6 Cl3 N O3 -","- C36 H24 Cl12 N4 O12 -","4","1","ST0576","Mullica, D. F.; Sappenfield, E. L.; Reeves, W. P.; Scheide, G. M.","Structure of 2-(4-nitrophenyl)-2-trichloromethyloxirane","Acta Crystallographica Section C","1993","49","1","109","111","10.1107/S010827019200502X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002074","9.533","0.002","23.568","0.005","13.666","0.003","90","","103.47","0.03","90","","2985.9","1.2","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C12 H21 N4 O2 S -","- C12 H21 N4 O1.5 S -","- C96 H168 N32 O12 S8 -","8","2","HH0623","Shin, W.; Shim, J. H.","Structure of tetrahydrothiamin hemihydrate","Acta Crystallographica Section C","1993","49","1","111","113","10.1107/S0108270192004001","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002075","6.0092","0.0005","5.3074","0.0002","15.7538","0.0006","90","","93.672","0.005","90","","501.41","0.05","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","0.5","CD0070","Marasinghe, P. A. B.; Gillispie, G. D.","Structure of 1,5-dihydroxyanthraquinone: a redetermination","Acta Crystallographica Section C","1993","49","1","113","114","10.1107/S0108270192004542","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002076","6.521","0.002","9.223","0.002","15.235","0.005","90","","91.91","0.03","90","","915.8","0.5","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C52 H44 O4 -","2","0.5","GR0203","Harmata, M.; Barnes, C. L.","5α,8β,14α,17α-5,6,8,9,14,15,17,18-Octahydro-5,17:8,14-diepoxydibenzo[<i>e</i>,<i>e</i>']benzo[1,2-<i>a</i>:4,5-<i>a</i>']dicyclooctene","Acta Crystallographica Section C","1993","49","1","115","116","10.1107/S0108270192004694","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002077","9.16","0.001","9.921","0.002","10.372","0.004","100.57","0.02","112.01","0.02","92.17","0.01","853.1","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 F6 N6 O Si2 -","- C36 H30 F6 N6 O Si2 -","- C36 H30 F6 N6 O Si2 -","1","0.5","BX0582","Jansen, M.; Mokros, I.","Structure of hexakis(2-fluorophenylamino)disiloxane","Acta Crystallographica Section C","1993","49","1","119","120","10.1107/S0108270192004360","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002078","8.984","0.006","14.9","0.02","16.56","0.02","113","0.07","99.63","0.07","104.39","0.06","1888","4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H30 N8 O Si3 -","- C8 N8 O Si3 -","- C32 N32 O4 Si12 -","4","2","BX0583","Jansen, M.; Löffelholz, J.","Structure of 3,5-dimethyl-2,2,4,4,6,6-hexakis(methylamino)-1-oxa-3,5-diaza-2,4,6-trisilacyclohexane","Acta Crystallographica Section C","1993","49","1","120","122","10.1107/S0108270192004451","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002079","8.455","0.003","13.052","0.002","9.267","0.003","90","","124.89","0.03","90","","838.8","0.9","294","","","","","","","","","","","1","P 1 2/c 1","","","","gamma sulfur","","- S8 -","- S8 -","- S32 -","4","1","AB1021","Gallacher, A. C.; Pinkerton, A. A.","A redetermination of monclinic γ-sulfur","Acta Crystallographica Section C","1993","49","1","125","126","10.1107/S0108270192009661","","","0.71073","Mo_Kα","","","0.036","","","0.041","","","","","1.222","1.222","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2002080","3.721","0.001","3.721","","16.639","0.007","90","","90","","120","","199.5","0.1","115","","115","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","potassium zirconium indium sulfide","","- In0.5 K0.5 S2 Zr0.5 -","- K0.5 S2 Zr0.5 -","- K S4 Zr -","2","0.0833333","ST1015","Wu, P.; Ibers, J. A.","Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~","Acta Crystallographica Section C","1993","49","1","126","129","10.1107/S0108270192008345","","","0.7093","MoKα","","","","","0.111","0.111","","","","2.3","2.3","2.3","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2002081","3.5786","0.0005","3.5786","0.0005","24.832","0.005","90","","90","","120","","275.4","0.1","115","","115","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cr0.5 K0.5 S2 Sn0.5 -","- Cr0.5 K0.5 S2 -","- Cr1.5 K1.5 S6 -","3","0.0833333","ST1015","Wu, P.; Ibers, J. A.","Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~","Acta Crystallographica Section C","1993","49","1","126","129","10.1107/S0108270192008345","","","0.7093","MoKα","","","","","0.1","0.1","","","","1.91","1.91","1.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002082","9.993","0.001","6.8236","0.0006","16.398","0.002","90","","96","0.01","90","","1112","0.2","240","1","240","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H13 Br2 Cd N S -","- C5 H13 Br2 Cd N S -","- C20 H52 Br8 Cd4 N4 S4 -","4","1","AL1022","Clegg, W.; Casals, I.; González-Duarte, P.","<i>catena</i>-[Cd{μ-S(CH~2~)~3~NHMe~2~}Br~2~]","Acta Crystallographica Section C","1993","49","1","129","130","10.1107/S0108270192010746","","","0.71073","MoKα","","0.0548","0.042","","0.1412","0.1102","","","","1.132","1.168","1.168","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002083","12.336","0.002","14.108","0.002","19.875","0.008","90","","97.44","0.02","90","","3429.9","1.6","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Au N3 P2 -","- C40 H30 Au N3 P2 -","- C160 H120 Au4 N12 P8 -","4","1","HA1016","Wang, J.-C.; Wang, Y.","Structure of [Au(PPh~3~)~2~][C(CN)~3~]","Acta Crystallographica Section C","1993","49","1","131","132","10.1107/S0108270192008461","","","0.71073","MoKα","","","0.033","","","0.037","","","","","0.495","0.495","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2002084","14.399","0.006","20.51","0.02","16.817","0.005","90","","100.75","0.03","90","","4879","5","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N O19 S16 W6 -","- C15.5 N0.5 O9.5 S9 W3 -","- C62 N2 O38 S36 W12 -","4","2","PA1021","Triki, S.; Ouahab, L.; Grandjean, D.","Structure of the tetrakis(2,2',5,5'-tetrathiafulvalene) hexatungstate acetonitrile solvate salt (TTF)~4~W~6~O~19~.0.5(CH~3~CN)","Acta Crystallographica Section C","1993","49","1","132","135","10.1107/S0108270192008643","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.045","1.045","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2002085","11.072","0.003","13.873","0.005","14.31","0.004","92.38","0.03","98.58","0.02","95.95","0.03","2158.1","1.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37.5 O1.25 P3 Ru S4 -","- C45 H35 O2 P3 Ru S4 -","- C90 H70 O4 P6 Ru2 S8 -","2","1","HA1009","Blake, A. J.; McQueen, A. E. D.; Schröder, M.; Stephenson, T. A.; Yellowlees, L. J.","Structure of carbonylbis(diphenyldithiophosphinato)(triphenylphosphine)ruthenium diethyl ether solvate [Ru(CO)(S~2~PPh~2~)~2~(PPh~3~)].0.25Et~2~O","Acta Crystallographica Section C","1993","49","1","135","137","10.1107/S0108270192008084","","","0.71073","MoKα","","","0.0378","","","0.0622","","","","","1.723","1.723","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002086","13.984","0.003","13.984","0.003","12.232","0.005","90","","90","","90","","2392","1.2","120","1","","","","","","","","","","5","P 4/n","-P 4a","","","","","- C16 H40 Cl4 Cu N2 -","- C16 Cl4 Cu N2 -","- C64 Cl16 Cu4 N8 -","4","","AS1014","Kawata, T.; Aoyama, T.; Ohba, S.","Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~]","Acta Crystallographica Section C","1993","49","1","137","139","10.1107/S0108270192009065","","","0.71073","MoKα","","","0.107","","","0.083","","","","","3.62","3.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002087","8.729","0.001","10.864","0.002","34.35","0.006","90","","90","","90","","3257.5","0.9","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C38 H37 Fe N P2 -","- C38 H37 Fe N P2 -","- C152 H148 Fe4 N4 P8 -","4","1","LI1012","Shawkataly, O. B.; Fun, H.-K.; Chinnakali, K.; Yip, B.-C.; Teoh, S.-G.; Ito, Y.; Sawamura, M.","Structure of 1-[(<i>R</i>)-1',2-bis(diphenylphosphino)ferrocenyl]-(<i>S</i>)-<i>N</i>,<i>N</i>-dimethylethylamine","Acta Crystallographica Section C","1993","49","1","139","141","10.1107/S010827019200790X","","","0.71069","MoKα","","","0.038","","","0.0501","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002088","14.754","0.003","14.805","0.005","15.277","0.004","90","","90","","90","","3337","1.6","197","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","tetrakis(dimethylphenylphosphine)-rhodium(I) chloride","","- C32 H44 Cl P4 Rh -","- C32 H44 Cl P4 Rh -","- C128 H176 Cl4 P16 Rh4 -","4","0.5","ST1031","Reibenspies, J. H.; Darensbourg, D. J.","Structure of tetrakis(dimethylphenylphosphine)rhodium(I) chloride","Acta Crystallographica Section C","1993","49","1","141","142","10.1107/S0108270192009612","","","0.71073","MoKα","","0.0501","0.0501","","0.0512","0.0512","","","","1.0197","1.0197","1.0197","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002089","28.325","0.006","9.79","0.005","23.042","0.006","90","","105.999","0.006","90","","6142","4","293","","","","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H61 Cl2 F12 N O2 P6 Ru2 -","- C55 H61 Cl2 F12 N O2 P6 Ru2 -","- C220 H244 Cl8 F48 N4 O8 P24 Ru8 -","4","0.5","HA1003","Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A.","[{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~","Acta Crystallographica Section C","1993","49","1","142","144","10.1107/S0108270192008163","","","0.71073","MoKα","","","0.0611","","","0.0753","","","","","1.406","1.406","","","","","has coordinates,has disorder","205828","2020-10-21","18:00:00",""
"2002090","18.246","0.002","18.246","0.002","11.303","0.002","90","","90","","120","","3258.8","0.8","300","2","","","","","","","","","","5","P 1 1 m","P -2","6","","","","- C38 H56 Cu2 N2 O8 -","- C10.6667 Cu0.666667 N0.666667 O2.66667 -","- C32 Cu2 N2 O8 -","3","1.5","AS1018","Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.","Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline","Acta Crystallographica Section C","1993","49","1","144","147","10.1107/S0108270192009107","","","0.71073","MoKα","","","0.077","","","0.105","","","","","3.5","3.5","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2002091","31.902","0.004","31.902","0.004","11.111","0.002","90","","90","","120","","9793","2","300","2","","","","","","","","","","5","R -3 m","-R 3 2""","","","","","- C38 H56 Cu2 N2 O8 -","- C32 Cu2 N2 O8 -","- C288 Cu18 N18 O72 -","9","","AS1018","Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.","Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline","Acta Crystallographica Section C","1993","49","1","144","147","10.1107/S0108270192009107","","","0.71073","MoKα","","","0.072","","","0.094","","","","","3.51","3.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002092","13.467","0.001","14.879","0.001","10.1125","0.0008","90","","90","","90","","2026.3","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl6 Fe2 N4 -","- C8 H12 Cl6 Fe2 N4 -","- C32 H48 Cl24 Fe8 N16 -","4","1","DU1009","Gao, Y.; Guery, J.; Jacoboni, C.","FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN","Acta Crystallographica Section C","1993","49","1","147","151","10.1107/S0108270192009892","","","0.71073","MoKα","","","0.035","","","0.035","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002093","10.1025","0.0005","14.513","0.001","21.032","0.002","90","","90","","90","","3083.7","0.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al Cl9 Fe2 N6 -","- C12 H18 Al Cl9 Fe2 N6 -","- C48 H72 Al4 Cl36 Fe8 N24 -","4","1","DU1009","Gao, Y.; Guery, J.; Jacoboni, C.","FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN","Acta Crystallographica Section C","1993","49","1","147","151","10.1107/S0108270192009892","","","0.71073","MoKα","","","0.042","","","0.042","","","","","2.21","2.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002094","8.812","0.002","8.5","0.003","8.377","0.003","85.61","0.03","111.15","0.03","114.28","0.03","531.5","0.3","163","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O3 S -","- C11 H10 N2 O3 S -","- C22 H20 N4 O6 S2 -","2","1","ST1006","Rizvi, S. K.; Hossain, M. B.; van der Helm, D.","Structures of perfragilin A and B","Acta Crystallographica Section C","1993","49","1","151","154","10.1107/S0108270192008709","","","0.71073","MoKα","","","0.041","","","0.04","","","","","1.92","1.92","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002095","6.915","0.002","9.86","0.003","9.924","0.003","111.22","0.02","99.7","0.02","102.24","0.02","593.7","0.3","163","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C24 H22 N2 O6 S4 -","2","1","ST1006","Rizvi, S. K.; Hossain, M. B.; van der Helm, D.","Structures of perfragilin A and B","Acta Crystallographica Section C","1993","49","1","151","154","10.1107/S0108270192008709","","","1.54178","CuKα","","","0.039","","","0.055","","","","","2.41","2.41","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002096","8.594","0.001","19.173","0.002","9.34","0.003","90","","102.52","0.02","90","","1502.4","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","PA1009","Rodier, N.; Robert, J.-M.; Robert-Piessard, S.; Le Baut, G.","<i>N</i>-(4,6-Diméthylpyrid-2-yl)-2-(3-nitrophényl)acétamide","Acta Crystallographica Section C","1993","49","1","154","156","10.1107/S010827019200859X","","","1.5418","CuKα","","","0.045","","","0.05","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002097","10.276","0.001","7.091","0.001","11.38","0.0009","98.79","0.01","105.26","0.01","115.23","0.01","689.5","0.17","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl N2 O -","- C15 H17 Cl N2 O -","- C30 H34 Cl2 N4 O2 -","2","1","PA1013","Rodier, N.; Agafonov, V.; Dubois, P.; Mariaud, M.; Levillain, P.; Cense, J. M.","2,4-Dimethyl-(1<i>H</i>)-naphtho[2,3-<i>b</i>][1,5]diazepinium chloride monohydrate","Acta Crystallographica Section C","1993","49","1","156","159","10.1107/S0108270192008618","","","1.5418","CuKα","","","0.041","","","0.052","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002098","5.6878","0.0008","11.65","0.002","26.21","0.003","90","","90","","90","","1736.7","0.4","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C14 H25 N O4 S2 -","- C14 H25 N O4 S2 -","- C56 H100 N4 O16 S8 -","4","1","PA1011","Rodier, N.; Khodadad, P.; Postel, D.; Villa, P.; Ronco, G.; Julien, R.","Désoxy-l <i>N</i>,<i>N</i>-diméthyldithiocarbamoyl-1 di-<i>O</i>-isopropylidène-2,3:4,5 xylitol","Acta Crystallographica Section C","1993","49","1","159","161","10.1107/S0108270192008606","","","1.5418","CuKα","","","0.035","","","0.036","","","","","1.295","1.295","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002099","16.22","0.004","9.763","0.0007","18.325","0.002","90","","99.81","0.01","90","","2859.4","0.8","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C120 H128 N32 O8 -","8","1","PA1016","Rodier, N.; Robert, J.-M.; Le Baut, G.","4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1993","49","1","161","163","10.1107/S0108270192008631","","","1.5418","CuKα","","","0.052","","","0.046","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002100","10.459","0.002","9.887","0.002","11.735","0.002","90","","115.13","0.01","90","","1098.6","0.4","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 N2 O2 -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","PA1014","Rodier, N.; Dvolaitzky, M.; Rassat, A.; Agafonov, V.; Céolin, R.","2,5,<i>N</i>,<i>N</i>'-tétra-<i>tert</i>-butyl-<i>p</i>-phénylènediaminoxyl","Acta Crystallographica Section C","1993","49","1","163","165","10.1107/S010827019200862X","","","1.5418","CuKα","","","0.042","","","0.047","","","","","1.089","1.089","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2002101","22.669","0.006","15.663","0.006","12.995","0.004","90","","90","","90","","4614","3","294","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C176 H256 O64 -","8","1","ST1014","Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F.","Structure of a cyclotetradecadiene","Acta Crystallographica Section C","1993","49","1","165","167","10.1107/S0108270192008813","","","1.54184","CuKα","","","0.08","","","0.073","","","","","2.225","2.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002102","7.5289","0.0008","14.5526","0.0016","12.8578","0.0011","90","","90","","90","","1408.8","0.2","277","","","","","","","","","","","5","P b c 21","","","","","","- C8 H16 Cl2 Pd S4 -","- C8 H16 Cl2 Pd S4 -","- C32 H64 Cl8 Pd4 S16 -","4","1","HU1010","Blake, A. J.; Freeman, G.; Schröder, M.; Yellowlees, L. J.","[12]aneS~4~PdCl~2~","Acta Crystallographica Section C","1993","49","1","167","168","10.1107/S0108270192008758","","","0.71073","MoKα","","","0.0161","","","0.0229","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002103","12.458","0.002","11.468","0.001","7.105","0.001","94.61","0.01","100.04","0.01","112.24","0.01","913.2","0.2","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 As F6 S4 -","- C14 H16 As F6 S4 -","- C28 H32 As2 F12 S8 -","2","1","AB1022","Noreland, J.; Olovsson, G.; Olovsson, I.","Structure of the organic radical cation salt 2,3,6,7-tetrakis(methylthio)naphthalene hexafluoroarsenate","Acta Crystallographica Section C","1993","49","1","168","171","10.1107/S0108270192008941","","","0.71069","MoKα","","","0.069","","","0.076","","","","","1.84","1.84","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002104","10.193","0.003","11.966","0.001","14.802","0.003","90","","90","","90","","1805.4","0.7","158","","158","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-Hydroxy-22-oxokopsan-1-carboxylate","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","CD1025","Watt, W.; Ghosh, R.; Seal, T.; Mukherjee, B.","Structure of kopsine: methyl 3-hydroxy-22-oxokopsan-1-carboxylate","Acta Crystallographica Section C","1993","49","1","171","173","10.1107/S0108270192010035","","","1.5418","CuKα","","0.047","0.045","","0.123","0.122","","","","4.8","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002105","11.224","0.002","6.182","0.002","12.6485","0.0002","90","","103.16","0.02","90","","854.6","0.3","292","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cl2 N O -","- C8 H5 Cl2 N O -","- C32 H20 Cl8 N4 O4 -","4","1","LI1016","Zukerman-Schpector, J.; Pinto, A. Da C.; da Silva, J. F. M.; Barcellos, M. T. F. C.","Structure of 3,3-dichloro-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section C","1993","49","1","173","175","10.1107/S0108270192008205","","","0.71073","MoKα","","","0.045","","","0.046","","","","","1.44","1.44","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2002106","7.345","0.002","8.865","0.003","10.644","0.002","72.07","0.03","88.69","0.03","78.94","0.04","646.7","0.3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br N O3 -","- C12 H16 Br N O3 -","- C24 H32 Br2 N2 O6 -","2","1","AL1012","Seetharaman, J.; Rajan, S. S.; Srinivasan, R.","Structure of hydrocotarnine hydrobromide","Acta Crystallographica Section C","1993","49","1","175","177","10.1107/S0108270192008576","","","1.5418","CuKα","","","0.037","","","0.041","","","","","2.3","2.3","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2002107","14.356","0.004","4.663","0.002","15.366","0.005","90","","95.2","0.03","90","","1024.4","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","SE1006","Das, A. K.; Mazumdar, S. K.; Das, N.; Talapatra, S. K.; Scheiner, P.; Schwalbe, C. H. W.","Structure of a nucleoside analogue: α-(1-thyminylmethyl)-γ-butyrolactone","Acta Crystallographica Section C","1993","49","1","177","179","10.1107/S0108270192008655","","","0.71069","MoKα","","","0.055","","","0.059","","","","","2.249","2.249","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2002108","13.856","0.002","18.783","0.004","15.209","0.002","90","","90","","90","","3958.3","1.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5","","- C18 H25 Cl O8 -","- C18 H25 Cl O8 -","- C144 H200 Cl8 O64 -","8","1","BR1013","Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M.","5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","Acta Crystallographica Section C","1993","49","1","179","182","10.1107/S0108270192009971","","","0.7093","MolybdenumKα","","0.112","0.036","","0.059","0.048","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002109","17.884","0.003","8.792","0.003","13.918","0.003","90","","90","","90","","2188.4","1","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","","- C20 H29 Cl O8 -","- C20 H29 Cl O8 -","- C80 H116 Cl4 O32 -","4","1","BR1013","Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M.","5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","Acta Crystallographica Section C","1993","49","1","179","182","10.1107/S0108270192009971","","","0.7093","MolybdenumKα","","0.189","0.033","","0.084","0.04","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002110","7.237","0.007","14.952","0.009","17.07","0.02","90","","95.11","0.08","90","","1840","3","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,2,2,3,3-Hexamethyl-4-(2-ethynylphenyl)-1,2,3- trigermacyclopent-4-ene","","- C16 H24 Ge3 -","- C16 H24 Ge3 -","- C64 H96 Ge12 -","4","1","AL1028","Preut, H.; Weisbeck, M. P.; Neumann, W. P.","Structure of 1,1,2,2,3,3-hexamethyl-4-(2-ethynylphenyl)-1,2,3-trigermacyclopent-4-ene","Acta Crystallographica Section C","1993","49","1","182","184","10.1107/S0108270192011053","","","0.71073","MoKα","","0.0845","0.068","","0.0916","0.083","","","","","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002111","20.373","0.009","8.707","0.004","12.637","0.006","90","","126.91","0.03","90","","1792.4","1.6","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl trans-3,3'-(1,1-dimethylgermacyclopentane-3,4-diyl) bis[(E)-2-methylpropenoate]","","- C16 H26 Ge O4 -","- C16 H26 Ge O4 -","- C64 H104 Ge4 O16 -","4","0.5","AL1027","Preut, H.; Wienken, S.; Neumann, W. P.","Structure of dimethyl <i>trans</i>-3,3'-(1,1-dimethylgermacyclopentane-3,4-diyl)bis[(<i>E</i>)-2-methylpropenoate]","Acta Crystallographica Section C","1993","49","1","184","185","10.1107/S0108270192009776","","","0.71073","MoKα","","0.048","0.037","","0.0627","0.05","","","","","0.55","0.55","","","","","has coordinates","198857","2020-10-21","18:00:00",""
"2002112","6.41","0.002","15.438","0.002","9.808","0.002","90","","104.06","0.02","90","","941.5","0.4","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O3 Si -","- C19 H27 N O3 Si -","- C38 H54 N2 O6 Si2 -","2","1","ST1017","Marsh, R. E.; Schaefer, W. P.; Kephart, S. E.; Myers, A. G.","Structure of a <i>syn</i>-aldol addition product of benzaldehyde and a prolinol-derived <i>O</i>-silacyclopentyl ketene <i>N</i>,<i>O</i>-acetal","Acta Crystallographica Section C","1993","49","1","185","188","10.1107/S0108270192008825","","","0.71073","MoKα","","","","","","","","","","","1.75","1.75","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2002113","19.361","0.004","13.942","0.003","9.054","0.003","90","","90","","90","","2444","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(Dimethylamino)phenyl]imino]-3-oxo-N-phenylbutanamide N,N-dimethyl-4-nitroso-benzenamine","","- C26 H29 N5 O3 -","- C26 H44 N5 O3 -","- C104 H176 N20 O12 -","4","1","AB1020","Lewinski, K.; Nitek, W.; Milart, P.","Molecular complex of 2-[4-(dimethylamino)phenylimino]-3-oxo-<i>N</i>-phenylbutanamide and <i>N</i>,<i>N</i>-dimethyl-4-nitrosoaniline","Acta Crystallographica Section C","1993","49","1","188","190","10.1107/S0108270192010461","","","1.54051","CuKα","","","0.035","","","0.043","","","","","0.967","0.967","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002901","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","Lead diselenate(IV)","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","AB1172","Jussi Valkonen","Lead Diselenite","Acta Crystallographica Section C","1995","51","1","1","3","10.1107/S0108270194005093","","","0.71073","MoKα","","","0.034","","","0.043","","","","","0.53","0.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002969","21.937","0.008","15.327","0.003","6.924","0.001","90","","90","","90","","2328","2","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002970","8.779","0.002","22.042","0.005","6.043","0.002","90","","90","","90","","1169.3","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003171","6.4","0.001","10.767","0.001","11.203","0.002","91.62","0.01","91.34","0.02","102.2","0.2","753.9","0.2","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N2 O3 -","- C15 H23 N2 O3 -","- C30 H46 N4 O6 -","2","1","KA1059","Tomasz A. Olszak; Piotr H. Sobczynski; Andrzej M. Brzozowski; Mieczyslaw J. Grabowski; Krzysztof Gwozdzinski","Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-Oxide","Acta Crystallographica C","1995","51","1","121","123","10.1107/S0108270194007791","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003175","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","PA1117","Piotr K. Olszewski; Katarzyna Stadnicka","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica C","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003180","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","SE1063","E. F. Paulus; C. Bingel","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~","Acta Crystallographica C","1995","51","1","143","146","10.1107/S0108270194009728","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003182","3.4603","0.0005","6.1972","0.0009","9.548","0.002","90","","103.47","0.01","90","","199.12","0.06","300","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Ag2 O4 -","- C2 Ag2 O4 -","- C4 Ag4 O8 -","2","0.5","VS1014","Dmitry Yu. Naumov; Alexander V. Virovets; Nina V. Podberezskaya; Elena V. Boldyreva","Silver Oxalate, 2Ag^+^.C~2~O~4~^2-^","Acta Crystallographica C","1995","51","1","60","62","10.1107/S0108270194008188","","","1.54178","CuKα","","","0.0259","","0.0541","0.0519","","","","1.129","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003198","7.058","0.007","18.962","0.007","17.05","0.02","90","","90.92","0.09","90","","2281","2","273.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Cl3 N2 O Re S2 -","- C15 H30 Cl3 N2 O Re S2 -","- C60 H120 Cl12 N8 O4 Re4 S8 -","4","1","FG1012","Trevor W. Hambley; Robert K. Knott; Timothy W. Jackson; Masaharu Kojima; Richard M. Lambrecht","[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate","Acta Crystallographica C","1995","51","2","203","205","10.1107/S0108270194007651","","","0.7109","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003201","11.061","0.001","12.171","0.001","14.334","0.002","95.2","0.008","92.094","0.009","105.191","0.008","1851","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.051","","","0.054","","","","","1.7","1.7","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003202","11.0691","0.0004","12.1779","0.0011","14.338","0.0007","95.161","0.006","92.072","0.004","105.199","0.006","1854","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.06","","","0.095","","","","","3.6","3.6","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003205","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","KA1091","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica C","1995","51","2","265","267","10.1107/S0108270194007973","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003206","13.579","0.003","11.107","0.002","8.299","0.001","90","","105.9","0.01","90","","1203.8","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C52 H32 F16 N8 O4 -","4","1","LI1120","R. E. Banks; W. J. Jondi; R. G. Pritchard; A. E. Tipping","(E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate","Acta Crystallographica C","1995","51","2","293","295","10.1107/S0108270194009133","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003211","8.175","0.001","10.15","0.002","11.254","0.001","83.28","0.01","81.07","0.01","74.3","0.01","885.3","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","1","0.5","MU1117","Marcus Geselle; Hartmut Fuess","Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride","Acta Crystallographica C","1995","51","2","242","244","10.1107/S0108270194009583","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003215","13.087","0.002","13.087","0.002","11.793","0.001","90","","90","","90","","2019.8","0.5","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C12 H32 Cl4 N2 Zn -","- C12 H31 Cl4 N2 Zn -","- C48 H124 Cl16 N8 Zn4 -","4","0.5","NA1105","Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre","Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~","Acta Crystallographica Section C","1995","51","2","220","222","10.1107/S0108270194008152","","","0.7107","MoKα","","","0.041","","","0.042","","","","","1.33","1.33","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003217","14.9821","0.0009","5.9131","0.0007","23.502","0.002","90","","105.99","0.01","90","","2001.6","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 O4 -","- C18 H22 Cl2 N4 O4 -","- C72 H88 Cl8 N16 O16 -","4","1","SE1047","Matthias Ramm; Hendrik Baumann; Klaus Kirschke","(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino -2-butenoyl]morpholine","Acta Crystallographica C","1995","51","2","277","279","10.1107/S0108270194009364","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003220","4.577","0.001","32.074","0.006","7.353","0.001","90","","90.74","0.03","90","","1079.4","0.3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 N O4 P -","- C7 H18 N O7 P -","- C28 H72 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003221","4.589","0.002","34.701","0.007","7.365","0.003","90","","90.61","0.03","90","","1172.8","0.7","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N O4 P -","- C8 H20 N O7 P -","- C32 H80 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.065","","","0.065","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003222","8.2341","0.0005","9.7275","0.0005","20.8316","0.0012","90","","92.74","0.01","90","","1666.65","0.16","295","","","","","","","","","","Moberg et al. (1991)","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","AB1160","A. Ertan; I. Csöregh; H. Adolfsson; C. Moberg","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.043","","","0.056","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003223","11.0497","0.0006","13.1208","0.0005","13.5252","0.0005","90","","98.71","0.01","90","","1938.28","0.16","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cu N3 O6 -","- C21 H19 Cu N3 O6 -","- C84 H76 Cu4 N12 O24 -","4","1","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.048","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003224","10.2034","0.0005","15.4648","0.0013","14.7073","0.0009","90","","102.4","0.01","90","","2266.6","0.3","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu N3 O6.5 -","- C52 H38 Cu2 N6 O14 -","- C104 H76 Cu4 N12 O28 -","2","0.5","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.042","","","0.059","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003225","22.965","0.003","13.196","0.003","15.823","0.003","90","","108.28","0.01","90","","4553.1","1.5","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H21.44 N2 O0.72 S7 Sn3 -","- C6.14 N1.9 O0.605 S7 Sn3 -","- C49.12 N15.2 O4.84 S56 Sn24 -","8","1","AB1180","Tan, K.; Ko, Y.; Parise, J. B.","Trimethylammonium Tin Sulfide","Acta Crystallographica Section C","1995","51","3","398","401","10.1107/S0108270194010437","","","0.7107","MoKα","","","0.058","","","0.041","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003226","10.537","0.002","10.615","0.003","21.101","0.004","90","","92.24","0.02","90","","2358.3","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cd N16 Ni2 -","- C44 H54 Cd N16 Ni2 -","- C88 H108 Cd2 N32 Ni4 -","2","0.5","AB1195","Yuge, H.; Iwamoto, T.","Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)~2~{Ni(CN)~4~}~2~].4C~6~H~5~NH~2~ (ten = 1,4-Diazabicyclo[2.2.2]octane)","Acta Crystallographica Section C","1995","51","3","374","377","10.1107/S0108270194009388","","","0.71069","MoKα","","","0.0417","","","0.0338","","","","","1.369","1.369","","","","","has coordinates","288340","2023-12-15","11:09:55",""
"2003227","21.023","0.001","14.907","0.001","8.2059","0.0007","90","","90","","90","","2571.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C136 H88 N8 O24 -","8","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.0387","0.038","","0.0859","0.0825","","","","1.087","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003228","7.47","0.001","20.033","0.002","8.97","0.002","90","","111.91","0.01","90","","1245.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-methoxy-5-oxo-11-azabenzo[b]fluorene","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C68 H44 N4 O8 -","4","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.1442","0.0771","","0.1765","0.1561","","","","1.875","2.423","2.423","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003229","16.374","0.002","20.082","0.002","19.137","0.005","90","","90.61","0.01","90","","6292.3","1.9","293","","293","","","","","","","","synthesised by the authors","5","P 1 21/n 1","-P 2yn","14","","2,2',2""-Triammoniumtriethylamine molybdate hexahydrate","","- C24 H96 Mo6 N16 O30 -","- C24 H96 Mo6 N16 O30 -","- C96 H384 Mo24 N64 O120 -","4","1","AB1214","Alyea, E. C.; Ferguson, G.; Xu, Z.","Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH~2~CH~2~NH~3~)~3~]^3+^.6[MoO~4~]^2{-^}.6H~2~O","Acta Crystallographica Section C","1995","51","3","353","356","10.1107/S0108270194009996","","","0.71069","MolybdenumKα","","0.042","0.03","","0.049","0.045","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003230","11.321","0.003","10.782","0.002","17.916","0.004","90","","90","","90","","2186.9","0.9","293","","293","","","","","","","","synthesised by the authors","3","P c a n","-P 2n 2c","60","o-phenylenedioxy-bis(dimethyl-4-oxahexanoic acid)","6,6'-o-phenylenedioxybis(2,2-dimethyl-4-oxahexanoic acid)","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","0.5","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.107","0.071","","0.088","0.082","","","","","2.04","2.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003231","12.457","0.003","9.828","0.002","12.588","0.002","90","","106.79","0.02","90","","1475.4","0.5","293","","293","","","","","","","","synthesised by authors","3","P 1 21/a 1","-P 2yab","14","tetramethyl-4,7-dioxadecanedioic acid","2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.097","0.038","","0.061","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003232","5.765","0.002","11.951","0.002","13.325","0.002","98.17","0.02","91.71","0.02","101.48","0.02","889","0.4","293","","293","","","","","","","","synthesised by the authors","3","P -1","-P 1","2","hexamethyl-4,8-dioxaundecanedioic acid","2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioic acid","","- C15 H28 O6 -","- C15 H28 O6 -","- C30 H56 O12 -","2","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.091","0.04","","0.065","0.057","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003233","14.565","0.003","15.359","0.003","7.883","0.002","90","","90.08","0.02","90","","1763.5","0.7","293","1","","","","","","","","","totally synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O7 -","- C21 H23 O7 -","- C84 H92 O28 -","4","1","AS1118","Cotterill, A. S.; Gable, R. W.; Gill, M.","Methyl Austrocorticinate","Acta Crystallographica Section C","1995","51","3","500","502","10.1107/S010827019400956X","","","0.71069","MoKᾱ","","","0.063","","","0.043","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003234","15.387","0.002","7.705","0.002","16.013","0.002","90","","90","","90","","1898.5","0.6","296","","296","","","","","","","","synthesized and crystallized from EtOH/H~2~O solution","5","P n a 21","P 2c -2n","33","","6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid","","- C21 H25 F N2 O4 -","- C21 H25 F N2 O4 -","- C84 H100 F4 N8 O16 -","4","1","AS1135","Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.","6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","519","521","10.1107/S0108270194008504","","","0.7107","MoKα","","","0.036","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003235","12.325","0.004","8.553","0.003","16.299","0.007","90","","103.39","0.03","90","","1671.5","1.1","293","","","","","","","","","","EPA, recrystallized from ethanol","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H16 N3 O3 P S2 -","- C12 H22 N3 O3 P S2 -","- C48 H88 N12 O12 P4 S8 -","4","1","BK1007","Baughman, R. G.; Allen, J. L.","Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~","Acta Crystallographica Section C","1995","51","3","521","523","10.1107/S0108270194007705","","","0.71073","MoKα","","","0.05","","","0.044","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003236","12.241","0.005","16.05","0.05","9.63","0.004","90","","110.73","0.03","90","","1769","6","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N6 S3 -","- C11 H24 N6 S3 -","- C44 H96 N24 S12 -","4","1","BK1026","Garneau, I.; Raymond, S.; Brisse, F.","A Thiourea‒1,5-Cyclooctadiene Clathrate at 173 K","Acta Crystallographica Section C","1995","51","3","538","541","10.1107/S0108270194007717","","","1.54178","GraphitemonochromatedCuKᾱ","","","0.0432","","","0.0539","","","","","1.872","1.872","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003237","13.364","0.002","12.991","0.002","13.548","0.002","90","","108.35","0.012","90","","2232.5","0.6","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B Cl F4 Mo P3 -","- C14 H32 B Cl F4 Mo P3 -","- C56 H128 B4 Cl4 F16 Mo4 P12 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.074","0.052","","0.066","0.056","","","","","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003238","12.369","0.006","14.664","0.005","15.769","0.005","90","","90.96","0.03","90","","2859.8","1.9","299","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Cl F6 Mo P4 -","- C19 H42 Cl F6 Mo P4 -","- C76 H168 Cl4 F24 Mo4 P16 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.0851","0.0694","","0.1255","0.1193","","","","","1.89","1.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003239","14.3565","0.0007","14.8021","0.0008","25.612","0.002","90","","90","","90","","5442.7","0.6","295","","","","","","","","","","slow cooling of p-xylene solution","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl8 O6 -","- C22 H24 Cl8 O6 -","- C176 H192 Cl64 O48 -","8","1","BK1038","Garcia, J. G.; Fronczek, F. R.","The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1995","51","3","468","471","10.1107/S0108270194008681","","","0.71073","MoKα","","","0.035","","","0.037","","","","","1.468","1.468","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003240","13.684","0.005","20.294","0.005","13.09","0.004","98.64","0.02","107.98","0.03","91.06","0.02","3410.2","1.9","200","","","","","","","","","","from acetic acid/CH~2~Cl~2~ solution","5","P -1","-P 1","2","","","","- C71 H84 Cl2 N4 O10 -","- C71 H84 Cl2 N4 O10 -","- C142 H168 Cl4 N8 O20 -","2","1","BK1046","Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M.","A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","511","515","10.1107/S0108270194008978","","","1.5418","CuKα","","","0.095","","","0.119","","","","","3.17","3.17","","","","","has coordinates","190721","2020-10-21","18:00:00",""
"2003241","7.162","0.001","7.417","0.001","9.469","0.002","69.27","0.02","93.79","0.02","92.41","0.02","469.31","0.15","298","","298","","","","","","","","The title compound was obtained by reaction of 2,6-dimethoxypyridine with Vilsmeier's reagent following a literature procedure (Shiao, Shyu & Tarng, 1990). Suitable crystals for this study were obtained from dichloromethane--hexane (1:2), m.p. 415--416 K.","5","P -1","-P 1","2","","2-chloro-6-dimethylamino-3,5-diformylpyridine","","- C9 H9 Cl N2 O2 -","- C9 H9 Cl N2 O2 -","- C18 H18 Cl2 N4 O4 -","2","1","BK1066","Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S.","2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde","Acta Crystallographica Section C","1995","51","3","517","519","10.1107/S0108270194010310","","","0.7107","MoKα","","0.036","0.028","","0.038","0.037","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003242","10.677","0.007","16.763","0.008","10.015","0.005","90","","90","","90","","1792.5","1.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 O6 P -","- C16 H27 O6 P -","- C64 H108 O24 P4 -","4","1","BK1079","Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F.","Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol","Acta Crystallographica Section C","1995","51","3","479","482","10.1107/S0108270194010164","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.09","1.09","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003243","6.149","0.003","9.221","0.008","3.121","0.001","90.29","0.05","92.23","0.04","104.3","0.05","171.33","0.18","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B4 Mg4 O10 -","2","1","BR1079","Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Triclinic Mg~2~B~2~O~5~","Acta Crystallographica Section C","1995","51","3","351","353","10.1107/S0108270194009303","","","0.71069","MoKα","","","0.03","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003244","6.676","0.001","7.969","0.002","14.259","0.002","90","","93","0.01","90","","757.6","0.2","296","","","","","","","","","","grown from a melt of composition 1SrO:1K~2~O:4B~2","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 K O9 Sr -","- B5 K O9 Sr -","- B20 K4 O36 Sr4 -","4","1","BR1081","Tu, J.-M.; Keszler, D. A.","SrKB~5~O~9~","Acta Crystallographica Section C","1995","51","3","341","343","10.1107/S0108270194007493","","","0.71069","MoKα","","","0.044","","","0.048","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003245","5.951","0.001","5.951","0.001","28.875","0.006","90","","90","","120","","885.6","0.3","295","2","","","","","","","cooled from 1723 to 1523 K at 15 K h^-1^","","Crystals of the title compound were prepared by melting a pre-reacted stoichiometric powder mixture in sealed Pt tube, which was then cooled from 1723 to 1523 K at 15 K h^-1^.","3","R -3 m :H","-R 3 2""","166","","","","- Co10 Ge3 O16 -","- Co10 Ge3 O16 -","- Co30 Ge9 O48 -","3","0.0833333","BR1086","Barbier, J.","Co~10~Ge~3~O~16~","Acta Crystallographica Section C","1995","51","3","343","345","10.1107/S0108270194010954","","","0.5608","AgKα","","","0.058","","","0.069","","","","","0.82","0.82","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003246","18.56","0.003","13.335","0.004","9.677","0.003","90","","90","","90","","2395","1.1","295","1","295","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H2 Cl3 Cs6 Fe N6 O -","- C5 Cl2.5 Cs5 Fe0.5 N5 O -","- C20 Cl10 Cs20 Fe2 N20 O4 -","4","0.5","BR1089","Capparelli, M. V.; Murgich, J.","Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt","Acta Crystallographica Section C","1995","51","3","356","358","10.1107/S010827019401022X","","","0.71069","MoKα","","","0.0243","","","0.0276","","","","","2.188","2.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003247","6.799","0.02","6.938","0.007","7.011","0.005","77.51","0.07","72.59","0.1","78.5","0.13","304.9","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","Nickel tin(II) fluoride hexahydrate","Nickel bistrifluorostannate(II) hexaydrate","","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","1","0.5","BR1092","Abrahams, I.; Donaldson, J. D.; Khan, Z. I.","Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H~2~O)~6~](SnF~3~)~2~","Acta Crystallographica Section C","1995","51","3","345","346","10.1107/S0108270194011340","","","0.71069","MoKα","","0.0247","0.0214","","0.0566","0.0559","","","","1.099","1.133","1.133","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003248","4.795","0.001","7.108","0.001","7.83","0.002","89.83","0.03","87.59","0.03","73.11","0.03","255.12","0.1","298","","298","","","","","","heated progressively to 1243 K; heating an appropriate mixture of material to 1275 K","","","4","P -1","-P 1","2","","Strontium Iron(III) Diphosphate","","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","1","0.5","BR1094","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Strontium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1995","51","3","346","348","10.1107/S0108270194010693","","","0.71073","MoKα","","","0.0378","","","0.0463","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003249","8.962","0.001","11.136","0.002","8.922","0.001","95.14","0.01","104.5","0.01","86.74","0.01","858","0.2","296","","296","","","","","","","","Sigma Chemical Co.,St. Louis, Mo.,USA","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","CD1034","Jasinski, J. P.; Paight, E. S.","3-(2-Benzothiazolyl)-7-(diethylamino)coumarin","Acta Crystallographica Section C","1995","51","3","531","533","10.1107/S0108270194003628","","","0.7107","MoKα","","","0.0359","","","0.0413","","","","","1.528","1.528","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003250","6.929","0.003","6.725","0.003","10.778","0.005","90","","99.27","0.04","90","","495.7","0.4","235","","","","","","","","","","recrystallization from ethyl acetate","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","CD1064","Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M.","Microbial Transformation of a Dihydroxybiphenyl","Acta Crystallographica Section C","1995","51","3","491","494","10.1107/S0108270194008590","","","1.54056","CuKα","","","0.046","","","0.053","","","","","2.84","2.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003251","11.186","0.001","15.064","0.003","17.281","0.005","90","","103.9","0.02","90","","2826.7","1.1","296","","","","","","","","","","slow evaporation from CH~2~Cl~2~/iso-octane solution","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CR1102","Schultz, L. W.; Clardy, J.; Lessinger, L.","9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip <i>Pseudopterogorgia hummelinkii</i>","Acta Crystallographica Section C","1995","51","3","415","419","10.1107/S010827019400452X","","","1.54178","CuKα","","","0.0529","","","0.0674","","","","","1.1313","1.1313","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003252","14.822","0.003","7.055","0.001","10.205","0.002","90","","123.79","0.01","90","","886.9","0.3","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Eu2 H3 O9 P3 -","- Eu2 H4 O10 P4 -","- Eu8 H16 O40 P16 -","4","0.5","DU1051","Foulon, J.-D.; Durand, J.; Cot, L.; Tijani, N.; Rafiq, M.","Eu~2~(PO~3~H)~3~","Acta Crystallographica Section C","1995","51","3","348","350","10.1107/S0108270193007796","","","0.71073","MoKα","","","0.026","","","0.032","","","","","3.34","3.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003253","11.484","0.003","15.913","0.004","9.407","0.003","90","","101.46","0.01","90","","1684.8","0.8","293","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Diphenylphosphinophenyl)-1-propanone","","- C21 H19 O P -","- C21 H19 O P -","- C84 H76 O4 P4 -","4","1","FG1009","Rasley, B. T.; Rapta, M.; Kulawiec, R. J.","2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine","Acta Crystallographica Section C","1995","51","3","523","525","10.1107/S0108270194006578","","","0.71073","MoKα","","0.0577","0.04","","0.1045","0.0944","","","","1.046","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003254","8.713","0.004","11.553","0.001","15.612","0.006","90","0.02","107.94","0.05","90","0.03","1495.1","1","293","2","293","2","","","","","","","synthesis (Cambie et al., 1987)","3","P 1 21/c 1","-P 2ybc","14","","13-hydroxy-6-methoxy-4-methyl-7,12-dihydro-1,4epoxy-1H-anthra[2,3-d]-1,2- dioxepin-7,12-dione","","- C19 H14 O7 -","- C19 H14 O7 -","- C76 H56 O28 -","4","1","FG1034","Buckleton, J. S.; Clark, G. R.; Rickard, C. E. F.","A Stable Ozonide","Acta Crystallographica Section C","1995","51","3","494","495","10.1107/S0108270194010577","","","1.5418","CuKα","","0.0843","0.0606","","0.1745","0.1666","","","","1.018","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003255","11.408","0.002","11.495","0.002","17.672","0.004","90","","90","","90","","2317.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(Trimethylsilyl)methyl Tetracylo[5.4.0.0^6,10^.0^9,11^] Undecan-4-yl 3,5-Dinitrobenzoate","","- C22 H28 N2 O6 Si -","- C22 H28 N2 O6 Si -","- C88 H112 N8 O24 Si4 -","4","1","FG1035","Lautens, M.; Lough, A. J.; Tam, W.","4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","3","471","473","10.1107/S0108270194010966","","","0.71073","MoKα","","0.0988","0.0483","","0.1279","0.1092","","","","1.024","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003256","10.555","0.003","12.68","0.003","13.675","0.004","62.42","0.02","87.01","0.02","85.63","0.02","1617.2","0.8","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","1-diphenylmethylene-4-triphenylmethyl-cyclohexa-2,5-diene","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","HA1119","Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T.","1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate","Acta Crystallographica Section C","1995","51","3","489","491","10.1107/S0108270194009005","","","0.71073","MoKα","","0.1106","0.0525","","0.179","0.1291","","","","1.038","0.988","0.988","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003257","7.544","0.003","8.576","0.003","12.014","0.007","78.01","0.03","83.36","0.03","71.41","0.03","719.6","0.6","295","2","295","2","","","","","","","The title compound was obtained by the reaction of PhNHN=C(Me)CHO with 2,2-dimethyl-1,3-dioxane-4,6-dione. Crystals were grown from ethanol (McNab & Stobie, 1982).","4","P -1","-P 1","2","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-Meldrum's acid","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxane -4,6-dione","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","HA1123","Blake, A. J.; McNab, H.","2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","1995","51","3","527","529","10.1107/S0108270194008371","","","0.71073","MoKα","","0.0541","0.0397","","0.1394","0.1285","","","","1.056","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003258","11.25","0.007","8.564","0.005","4.157","0.002","90","","90","","90","","400.5","0.4","293","2","293","2","","","","","","","By crystallisation from an aqueous solution containing Pb(NCS)~2~ and sodium acetate","6","P b n m","-P 2c 2ab","62","","Lead hydroxy thiocyanate","","- C H N O Pb S -","- C N2 O Pb S -","- C4 N8 O4 Pb4 S4 -","4","0.5","HA1124","Adovasio, V.; Nardelli, M.","Metal‒Hydroxy Ribbons in Pb(OH)(NCS)","Acta Crystallographica Section C","1995","51","3","380","382","10.1107/S0108270194009145","","","0.71069","MoKα","","","0.0264","","","0.0579","","","","","1.171","1.171","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003259","5.8813","0.0014","15.474","0.003","14.919","0.006","90","","95.64","0.03","90","","1351.2","0.7","150","0.2","150","0.2","","","","","","","The title compound was made by a Wittig reaction of 2-(t-butylthio)benzalde- hyde with methyl triphenylphosphoranylidenacetate in dichloromethane (MacPherson, 1994; Cadogan, MacPherson & McNab, 1994). Crystals were grown from hexane solution.","4","P 1 21/n 1","-P 2yn","14","Methyl 2-(t-Butylthio)cinnamate","Methyl 3-[2-(t-Butylthio)phenyl]propenoate","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","HA1130","Blake, A. J.; Cadogan, J. I. G.; Dijksma, F. J. J.; Gould, R. O.; MacPherson, A. D.; McNab, H.","Methyl 3-[2-(<i>tert</i>-Butylthio)phenyl]propenoate","Acta Crystallographica Section C","1995","51","3","509","511","10.1107/S0108270194009777","","","0.71073","MoKα","","0.0393","0.0295","","0.0803","0.0727","","","","1.063","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003260","11.79","0.006","11.79","0.006","18.373","0.004","90","","90","","120","","2211.8","1.7","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.021","","","0.0242","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003261","11.603","0.002","11.603","0.002","17.968","0.005","90","","90","","120","","2094.9","0.8","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 Br P -","- C14 H16 Br P -","- C84 H96 Br6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.039","","","0.0464","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003262","8.497","0.003","9.902","0.003","21.03","0.005","90","","92.14","0.01","90","","1768.2","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cu N3 O7 -","- C16 H19 Cu N3 O7.5 -","- C64 H76 Cu4 N12 O30 -","4","2","HU1069","Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E.","A Novel Structure of (<small>L</small>-Aspartato)(1,10-phenanthroline)copper(II) Hydrate","Acta Crystallographica Section C","1995","51","3","382","385","10.1107/S0108270194009297","","","0.71073","MoKα","","","0.0322","","","0.0424","","","","","1.12","1.12","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003263","9.793","0.001","9.793","0.001","9.978","0.002","90","","90","","120","","828.7","0.2","293","10","293","10","","","","","","","","5","P 32","P 32","145","","N-(2R)-bromopropionyl-(2S)-proline methyl ester","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C27 H42 Br3 N3 O9 -","3","1","HU1118","Ingham, S. L.; Lenman, M. M.","<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester","Acta Crystallographica Section C","1995","51","3","537","538","10.1107/S0108270194007961","","","0.71073","MoKα","","0.0397","0.0343","","0.0944","0.0909","","","","1.124","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003264","12.514","0.005","7.433","0.004","13.956","0.006","90","","114.86","0.03","90","","1177.9","1","150","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraethylammonium perchlorate","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","HU1122","Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.","Tetraethylammonium Perchlorate at 150 K","Acta Crystallographica Section C","1995","51","3","535","536","10.1107/S0108270194008619","","","0.71073","MoKα","","","0.0489","","","0.0517","","","","","","","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003265","8.421","0.002","11.421","0.002","17.431","0.004","90","","93.84","0.01","90","","1672.7","0.6","294","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C13 H18 As F6 O P Ru -","- C13 H18 As F10 O P Ru -","- C52 H72 As4 F40 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.026","","","0.03","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003266","8.076","0.001","24.399","0.004","13.337","0.002","90","","96.52","0.01","90","","2611","0.7","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 As F6 O P Ru -","- C28 H24 As F6 O P Ru -","- C112 H96 As4 F24 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.028","","","0.027","","","","","1.14","1.14","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003267","8.411","0.002","7.094","0.001","19.349","0.004","90","","90","","90","","1154.5","0.4","293","","","","","","","","","","recrystallized from water","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 N5 S -","- C2 H7 N5 S -","- C16 H56 N40 S8 -","8","1","KA1069","Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.","Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone","Acta Crystallographica Section C","1995","51","3","442","445","10.1107/S0108270194005494","","","0.71073","MoKα","","","0.0333","","","0.0804","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003268","24.667","0.004","10.573","0.003","15.736","0.004","90","","90","","90","","4104","1.7","293","2","293","2","","","","","","","synthesis","6","C c c 2","C 2 -2c","37","","bis(thiourea)bis(benzoato)zinc(II)","","- C16 H18 N4 O4 S2 Zn -","- C16 H18 N4 O4 S2 Zn -","- C128 H144 N32 O32 S16 Zn8 -","8","1","KA1071","Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.","Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1995","51","3","392","395","10.1107/S0108270194004075","","","0.7093","MoKα","","0.0517","0.0286","","0.0728","0.0664","","","","0.955","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003269","14.257","0.002","7.2001","0.0008","12.871","0.001","90","","108.88","0.01","90","","1250.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0605","0.0421","","0.1244","0.1112","","","","1.109","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003270","16.092","0.002","7.906","0.001","11.889","0.001","90","","115.2","0.01","90","","1368.6","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-methoxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0576","0.0553","","0.145","0.1412","","","","1.072","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003271","17.158","0.002","17.158","0.002","17.158","0.002","116.66","0.02","116.66","0.02","116.66","0.02","2344","4","293","2","293","2","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C90 H150 N18 O6 -","6","1","KA1083","Anulewicz, R.; Fiertek, D.; Izdebski, J.","1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone","Acta Crystallographica Section C","1995","51","3","541","543","10.1107/S0108270194006529","","","1.54056","CuKα","","0.0943","0.0493","","0.1482","0.1148","","","","1.08","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003272","13.274","0.004","7.746","0.002","15.08","0.005","90","","108.33","0.03","90","","1471.9","0.8","293","","","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","KA1087","Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.","A [5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1995","51","3","495","497","10.1107/S0108270194009455","","","0.71069","MoKα","","","0.04","","","0.055","","","","","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003273","27.85","0.007","5.217","0.003","13.463","0.004","90","","80.57","0.02","90","","1929.7","1.3","295","","","","","","","","","","synthetic","4","C 1 2 1","C 2y","5","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","KA1090","Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H.","(2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester","Acta Crystallographica Section C","1995","51","3","477","479","10.1107/S0108270194010656","","","1.54184","CuKα","","","0.098","","","0.109","","","","","0.538","0.538","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003274","15.412","0.008","8.169","0.002","19.487","0.004","90","","110.91","0.03","90","","2291.8","1.5","293","","","","","","","","","","Crystallized from methanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F N5 O -","- C10 H12 F N5 O -","- C80 H96 F8 N40 O8 -","8","2","LI1096","Janes, R. W.; Palmer, R. A.","A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate","Acta Crystallographica Section C","1995","51","3","440","442","10.1107/S0108270194005378","","","1.54178","CuKα","","","0.0579","","","0.0733","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003275","25.171","0.003","5.245","0.001","15.557","0.002","90","","121.92","0.02","90","","1743.3","0.6","296","","296","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione","","- C8 H7 F N2 O3 -","- C8 H7 F N2 O3 -","- C64 H56 F8 N16 O24 -","8","1","LI1122","Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.","5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass","Acta Crystallographica Section C","1995","51","3","515","517","10.1107/S0108270194008772","","","0.71069","MoKα","","","0.0414","","","0.027","","","","","1.947","1.947","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003276","9.456","0.002","22.745","0.004","16.707","0.003","90","","93.16","0.02","90","","3587.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl3 N Ni O5 P2 S2 -","- C31 H34 N Ni O P2 S2 -","- C124 H136 N4 Ni4 O4 P8 S8 -","4","1","LI1125","Akilan, R.; Sivakumar, K.; Venkatachalam, V.; Ramalingam, K.; Chinnakali, K.; Fun, H.-K.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](4-morpholinecarbodithioato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","3","368","370","10.1107/S010827019401070X","","","0.71073","MoKα","","0.1259","0.051","","0.1306","0.1073","","","","0.869","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003277","7.95","0.001","8.88","0.001","17.525","0.003","90","","90","","90","","1237.2","0.3","295","","","","","","","","","","Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing","4","P b c a","-P 2ac 2ab","","","","","- C5 H7 Li O4 -","- C5 H7 Li O4 -","- C40 H56 Li8 O32 -","8","1","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","1.5418","CuKα","","","0.037","","","0.051","","","","","2.74","2.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003278","13.222","0.002","18.633","0.003","10.092","0.002","90","","103.02","0.01","90","","2422.4","0.7","293","","","","","","","","","","Glutaric acid/caesium carbonate (1mol:0.5mol) dissolved in water yields crystals on standing","4","C 1 2/m 1","-C 2y","12","","","","- C5 H7 Cs O4 -","- C5 H7 Cs O4 -","- C60 H84 Cs12 O48 -","12","1.5","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","0.71069","MoKα","","","0.029","","","0.043","","","","","2.4","2.4","","","","","has coordinates","198392","2020-10-21","18:00:00",""
"2003279","12.679","0.006","14.794","0.01","12.653","0.007","114.16","0.05","117.54","0.04","75.97","0.06","1916","2","293","","","","","","","","","","Crystallized from methanol","6","P -1","-P 1","2","","","","- C16 H16 Co N3 O5 S3 -","- C15.5 H16 Co N3 O4.5 S3 -","- C62 H64 Co4 N12 O18 S12 -","4","2","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.062","","","0.064","","","","","1.36","1.36","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003280","21.997","0.011","9.094","0.005","27.594","0.009","90","","95.87","0.04","90","","5491","4","296","1","","","","","","","","","Crystallized from methanol","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co N3 O4 S3 -","- C15.3333 H13.3333 Co N3 O3.33333 S3 -","- C184 H160 Co12 N36 O40 S36 -","12","3","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.052","","","0.062","","","","","1.38","1.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003281","7.511","0.003","9.468","0.005","8.142","0.002","88.26","0.04","112.69","0.02","92.23","0.04","533.7","0.4","295","","","","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C7 H12 N4 S2 -","- C7 H12 N4 S2 -","- C14 H24 N8 S4 -","2","1","MU1121","Seth, S.; Sur, H.","A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea","Acta Crystallographica Section C","1995","51","3","487","489","10.1107/S0108270194009236","","","0.71073","MoKα","","","0.034","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003282","11.161","0.002","11.338","0.006","17.206","0.013","98.726","0.056","107.306","0.04","111.682","0.039","1846","2","210","1","","","","","","","","","slow diffusion of n-hexane into dichloromethane solution at 243 K","7","P -1","-P 1","2","","","","- C28 H38 B9 Cl4 P2 Rh S -","- C28 H38 B9 Cl4 P2 Rh S -","- C56 H76 B18 Cl8 P4 Rh2 S2 -","2","1","MU1131","Adams, K. J.; McGrath, T. D.; Welch, A. J.","8-(Ph~2~PCH~2~CH~2~PPh~2~)-8,7-<i>nido</i>-RhSB~9~H~10~.2CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","401","403","10.1107/S0108270194009947","","","0.71069","MoKα","","","0.0528","","","0.0846","","","","","1.618","1.618","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003283","11.8386","0.0009","15.3158","0.0012","7.7899","0.0006","90","","95.97","0.008","90","","1404.79","0.19","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","MU1138","Clegg, W.; Hewkin, C. T.; Jackson, R. F. W.","2,6-Diphenyl-3-vinylpyridine","Acta Crystallographica Section C","1995","51","3","525","527","10.1107/S0108270194010814","","","1.54184","CuKα","","0.0633","0.0588","","0.1739","0.1597","","","","1.059","1.064","1.064","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003284","13.179","0.001","12.075","0.001","17.963","0.001","90","","109.1","0.007","90","","2701.2","0.4","296","1","296.2","","","","","","","","isolation","3","P 1 21 1","P 2yb","4","","","","- C62 H52 O24 -","- C62 H52 O24 -","- C124 H104 O48 -","2","1","NA1086","Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G.","Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~","Acta Crystallographica Section C","1995","51","3","437","440","10.1107/S010827019400394X","","","1.54178","CuKᾱ","","","0.038","","","0.042","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003285","5.593","0.001","12.227","0.002","15.705","0.007","90","","90","","90","","1074","0.5","298","","","","","","","","","","Chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O4 S -","- C9 H12 N2 O4 S2 -","- C36 H48 N8 O16 S8 -","4","1","NA1093","Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R.","3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","473","475","10.1107/S0108270194008280","","","0.71069","MoKα","","","0.0367","","","0.0409","","","","","0.85","0.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003286","17.144","0.001","11.45","0.003","10.179","0.002","90","","90.757","0.008","90","","1998","0.7","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/c 1","-P 2ybc","14","","3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2-methyl- 4H-pyrido[1,2-a]pyrimidine-4-one","","- C23 H24 F N3 O2 -","- C23 H24 F N3 O2 -","- C92 H96 F4 N12 O8 -","4","1","NA1112","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (Pirenperone)","Acta Crystallographica Section C","1995","51","3","533","535","10.1107/S0108270194008176","","","1.54184","CuKα","","0.1846","0.0748","","0.2297","0.1648","","","","1.13","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003287","7.898","0.001","26.463","0.004","14.099","0.002","90","","99.69","0.02","90","","2904.7","0.7","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1-pyrenyl)-3-(4-(dimethylamino)phenyl)hexamethyltrisilane","","- C30 H37 N Si3 -","- C30 H37 N Si3 -","- C120 H148 N4 Si12 -","4","1","NA1121","Van Meervelt, L.","1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane","Acta Crystallographica Section C","1995","51","3","543","544","10.1107/S0108270194010413","","","1.54178","CuKα","","0.123","0.064","","0.1746","0.148","","","","1.058","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003288","14.539","0.003","5.492","0.002","23.452","0.002","90","","98.12","0.01","90","","1853.8","0.8","296","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O S2 -","- C18 H28 O S2 -","- C72 H112 O4 S8 -","4","1","OH1059","Miyake, M.; Haramoto, Y.","2-(<i>p</i>-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C~18~H~28~OS~2~","Acta Crystallographica Section C","1995","51","3","475","477","10.1107/S0108270194007584","","","0.71069","MoKα","","","0.044","","","0.047","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003289","7.342","0.002","4.702","0.002","23.131","0.006","90","","101.83","0.01","90","","781.6","0.4","294","1","","","","","","","","","Slow evaporation of an ethanolic solution","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Hg S2 -","- C4 H10 Hg S2 -","- C16 H40 Hg4 S8 -","4","0.5","OH1066","Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G.","New Crystal Data for [Hg(SC~2~H~5~)~2~]","Acta Crystallographica Section C","1995","51","3","406","408","10.1107/S0108270194009510","","","0.7107","MoKα","","","0.017","","","0.031","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003290","10.43","0.007","11.728","0.007","12.268","0.009","108.31","0.05","98.34","0.05","115.66","0.05","1212.9","1.7","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O2 -","- C12 H13.5 N2 O2 -","- C48 H54 N8 O8 -","4","2","PA1096","Suchod, B.; Baldeck, P.","<i>N</i>,<i>N</i>-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C~12~H~6~N~2~O~2~","Acta Crystallographica Section C","1995","51","3","432","434","10.1107/S0108270194005998","","","0.7107","MoKα","","","0.089","","","0.079","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003291","7.84","0.01","18.4","0.02","7.65","0.03","99.35","0.02","114.48","0.03","80.64","0.02","985","4","293","","","","","","","","","","evaporation of a saturated 50/50% H~2~O/ethanol solution","5","P -1","-P 1","2","","","","- C21 H28 Cl N2 O2 -","- C21 H24 Cl N2 O2 -","- C42 H48 Cl2 N4 O4 -","2","1","PA1108","Brouant, P.; Giorgi, M.","9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)","Acta Crystallographica Section C","1995","51","3","434","436","10.1107/S0108270194007274","","","0.71073","MoKα","","","0.051","","","0.054","","","","","0.854","0.854","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003292","8.323","0.004","10.569","0.005","17.022","0.01","90","","100.15","0.02","90","","1473.9","1.3","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","Baccatin III derivative","","- C26 H44 O8 Si -","- C26 H44 O8 Si -","- C52 H88 O16 Si2 -","2","1","PA1126","Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A.","A Baccatin III Derivative","Acta Crystallographica Section C","1995","51","3","465","468","10.1107/S0108270194007341","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003293","10.579","0.002","11.618","0.002","11.886","0.003","90","","110.293","0.008","90","","1370.2","0.5","298","","298","","","","","","","","from diethyl ether/pentane (1:1) solution","4","P 1 21/c 1","-P 2ybc","14","","(2RS,1'SR)-4,4-Dimethyl-1-hydroxy-2-[1'-phenethyl]pyrrolidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","PA1132","Bernardinelli, G.; Oppolzer, W.; Spivey, A. C.","(2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol","Acta Crystallographica Section C","1995","51","3","529","530","10.1107/S0108270194009686","","","0.7093","MoKα","","0.162","0.071","","0.047","0.044","","","","2.107","2.89","2.89","","","","","has coordinates","191030","2020-10-21","18:00:00",""
"2003294","33.657","0.003","5.1305","0.0003","16.0816","0.001","90","","92.368","0.008","90","","2774.6","0.3","293","2","293","2","","","","","","","Therabel Research, Bruxelles","5","C 1 2/c 1","-C 2yc","15","Nimesulide","4-nitro-2-phenoxymethanesulfonanilide","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C104 H96 N16 O40 S8 -","8","1","PA1137","Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J.","Nimesulide","Acta Crystallographica Section C","1995","51","3","507","509","10.1107/S0108270194010334","","","1.5418","CuKα","","0.0638","0.0401","","0.1325","0.1146","","","","1.088","1.248","1.248","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003295","11.7356","0.001","13.5707","0.0014","12.4426","0.0011","90","","110.975","0.008","90","","1850.3","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Univ. of Liege","5","P 1 21/n 1","-P 2yn","14","","N-Cyano-N'-Isopropyl-N""-((4-(3'-Methylphenylamino)Pyrid-3-yl)Sulfonyl) Guanidine","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","PA1139","Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J.","<i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine","Acta Crystallographica Section C","1995","51","3","505","507","10.1107/S0108270194010346","","","1.5418","CuKα","","0.0565","0.0387","","0.1129","0.106","","","","0.983","1.099","1.099","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003296","6.7639","0.0002","8.0105","0.0001","9.3111","0.0001","95.703","0.001","106.774","0.001","92.499","0.002","479.254","0.017","293","2","293","2","","","","","","","diffusion of petroleum ether into a solution of (1) in ethyl acetate","5","P 1","P 1","1","","(5R,6S,7R,9R,13S,14R)-7-Chloro-7-cyano-4,5-epoxy-3,6-dimethoxy-N-methyl- 6,14-ethenoisomorphinane","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","1","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0476","0.0475","","0.1362","0.136","","","","1.126","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003297","7.5252","0.0005","9.398","0.001","17.29","0.0007","90","","90","","90","","1222.78","0.16","293","2","293","2","","","","","","","slow evaporation of chloroform solution of (2)","4","P 21 21 21","P 2ac 2ab","19","","1-Methoxy-5,5,6,6-tetracyanobicyclo[2.2.2]oct-3-ene","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0535","0.0527","","0.1421","0.1407","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003298","20.076","0.002","6.831","0.002","20.113","0.001","90","","90","","90","","2758.3","0.9","293","","","","","","","","","","Kristallisation (Propanol/Hexan)","4","P n a 21","P 2c -2n","33","","","","- C24 H30 N10 O8 -","- C24 H30 N10 O8 -","- C96 H120 N40 O32 -","4","1","SH1093","Gzella, A.; Wrzeciono, U.","Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole","Acta Crystallographica Section C","1995","51","3","484","487","10.1107/S0108270194008930","","","1.54178","CuKα","","","0.035","","","0.034","","","","","2.8675","2.8675","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003299","9.452","0.006","14.33","0.016","11.826","0.004","90","","112.98","0.04","90","","1475","2","295","","","","","","","","","","recrystallization from DMSO","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C72 H76 N12 -","4","1","VJ1005","Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N.","An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~","Acta Crystallographica Section C","1995","51","3","482","484","10.1107/S0108270194009017","","","0.71069","MoKα","","","0.048","","","0.05","","","","","0.51","0.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003300","8.877","0.002","12.179","0.003","9.734","0.002","90","","106.11","0.02","90","","1011","0.4","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","VJ1006","Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid","Acta Crystallographica Section C","1995","51","3","451","454","10.1107/S0108270194008589","","","0.71069","MoKα","","","0.046","","","0.053","","","","","0.952","0.952","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003301","9.24","0.002","10.761","0.002","15.217","0.003","90","","90","","90","","1513.1","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","VJ1007","Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S.","The Diels‒Alder Reaction Product of β-Ionone and Maleic Anhydride","Acta Crystallographica Section C","1995","51","3","449","451","10.1107/S010827019401067X","","","0.71073","MoKα","","","0.039","","","0.045","","","","","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003302","6.6532","0.0006","7.1539","0.0004","20.3786","0.0013","90","","93.473","0.007","90","","968.17","0.12","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","AB1170","Hooft, R. W. W.; Kroon, J.","3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one","Acta Crystallographica Section C","1995","51","4","721","723","10.1107/S0108270194008899","","","1.54184","CuKα","","","0.03","","","0.034","","","","","0.18","0.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003303","10.716","0.001","17.431","0.004","35.029","0.007","90","","90","","90","","6543","2","295","","295","","","","","","","","The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature.","6","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Cl P2 Pt Si -","- C34 H34 Cl P2 Pt Si -","- C272 H272 Cl8 P16 Pt8 Si8 -","8","1","AB1204","Kapoor, P.; Lövqvist, K.; Oskarsson, Å.","The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1995","51","4","611","613","10.1107/S0108270194011170","","","0.7107","MoKα","","","0.0299","","","0.0336","","","","","1.302","1.302","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003304","9.604","0.006","9.994","0.004","16.072","0.005","90","","103.68","0.03","90","","1498.9","1.2","173","1","173","1","","","","","","","Crystals of (I) were grown by slow evaporation of an aqueous acetone solution at room temperature.","3","P 1 21 1","P 2yb","4","3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose","3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside","","- C33 H34 O10 -","- C33 H34 O10 -","- C66 H68 O20 -","2","1","AB1243","Linden, A.; Lee, C. K.","3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose","Acta Crystallographica Section C","1995","51","4","747","751","10.1107/S010827019401440X","","","0.71069","MoKα","","0.0804","0.0416","","0.0347","0.0317","","","","","1.577","1.577","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003305","9.326","0.002","11.991","0.003","7.964","0.001","94.58","0.02","105.39","0.02","113.84","0.03","767.5","0.4","297","","","","","","","","","","chemical synthesis","4","P -1","-P 1","2","","5-Ethoxymethyl-1-[1-ethyl-2,4-dioxo-5- (pyrimidinyl)methyl]uracil","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C28 H36 N8 O10 -","2","1","AS1096","Yamaguchi, K.; Tanaka, H.; Matsumoto, K.; Kittaka, A.; Miyasaka, T.","A Dimeric Uracil Derivative","Acta Crystallographica Section C","1995","51","4","754","756","10.1107/S0108270194001034","","","1.5405","CuKα~1~","","","0.042","","","0.043","","","","","1.81","1.81","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003306","11.549","0.003","3.756","0.001","16.442","0.008","90","0.03","104.94","0.03","90","0.02","689.1","0.4","298","","","","","","","","","","from water solution","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N O3 -","- C8 H5 N O3 -","- C32 H20 N4 O12 -","4","1","AS1104","Miao, F.-M.; Wang, J.-L.; Miao, X.-S.","<i>N</i>-Hydroxyphthalimide","Acta Crystallographica Section C","1995","51","4","712","713","10.1107/S0108270194007638","","","0.71073","MoKα","","","0.041","","","0.045","","","","","0.685","0.685","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003307","7.847","0.002","12.691","0.003","7.395","0.002","101.77","0.02","116.2","0.02","74.31","0.02","633.1","0.3","293","","","","","","","","","","chemical synthesis","7","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 O S V -","- C10 H8 Cl2 N2 O S V -","- C20 H16 Cl4 N4 O2 S2 V2 -","2","1","AS1119","Kondo, M.; Kawata, S.; Kitagawa, S.; Kiso, H.; Munakata, M.","An Oxovanadium(IV) Complex Chelated by Dipyridyl Sulfide","Acta Crystallographica Section C","1995","51","4","567","569","10.1107/S0108270194008127","","","0.71069","MoKα","","","0.035","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003308","6.985","0.004","16.056","0.022","16.566","0.017","81.92","0.1","85.05","0.07","79.34","0.08","1804","3","133","","","","","","","","","","natural product isolated from the powdered roots of Phormium cookianum","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","4","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.051","","","0.111","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003309","7.043","0.002","18.142","0.007","7.238","0.002","90","","96.44","0.02","90","","919","0.5","133","","","","","","","","","","natural product isolated from Phormium cookianum","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.04","","","0.052","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003310","10.127","0.002","4.87","0.002","15.811","0.002","90","","106.61","0.01","90","","747.2","0.4","296","","","","","","","","","","evaporation from 50% ethanol","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","AS1128","Okabe, N.; Kohyama, Y.","Homogentisic Acid","Acta Crystallographica Section C","1995","51","4","761","763","10.1107/S0108270194010176","","","0.71069","MoKα","","","0.051","","","0.049","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003311","10.114","0.003","12.013","0.009","9.368","0.004","122.59","0.04","90.11","0.03","98.31","0.04","944.6","1","298","","298","","","","","","","","","4","P -1","-P 1","2","Samarium Octamolybdate","dodecaaquasamarium octamolybdate hexahydrate","","- H36 Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","1","0.5","AS1146","Yamase, T.; Ozeki, T.; Kawashima, I.","Photoluminescent Samarium Octamolybdate","Acta Crystallographica Section C","1995","51","4","545","547","10.1107/S0108270194012205","","","0.71069","MoKα","","","0.061","","","0.061","","","","","2.11","2.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003312","11.844","0.001","12.871","0.001","15.237","0.002","90","","90","","90","","2322.8","0.4","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromo[bis(o-N,N-dimethylaminomethylphenyl)methylsilanol]cobalt(II)","","- C19 H28 Br2 Co N2 O Si -","- C19 H28 Br2 Co N2 O Si -","- C76 H112 Br8 Co4 N8 O4 Si4 -","4","1","BK1030","Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E.","[Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II)","Acta Crystallographica Section C","1995","51","4","602","604","10.1107/S0108270194009200","","","0.71073","MoKα","","0.056","0.039","","0.055","0.049","","","","","0.83","0.83","","","","","has coordinates","194583","2020-10-21","18:00:00",""
"2003313","11.832","0.003","14.05","0.003","18.049","0.003","90","","90","","90","","3000.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium bis(mercaptobenzoato)(cis-dioxomolibdato(VI))","","- C26 H40 Mo N2 O6 S2 -","- C26 H40 Mo N2 O6 S2 -","- C104 H160 Mo4 N8 O24 S8 -","4","1","BK1032","Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D.","Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI)","Acta Crystallographica Section C","1995","51","4","575","578","10.1107/S0108270194011236","","","0.71073","MoKα","","0.0441","0.033","","0.0879","0.08","","","","1.044","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003314","7.36","0.002","9.793","0.002","19.369","0.002","90","","90","","90","","1396","0.5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl2 O2 Pt S2 -","- C8 H18 Cl2 O2 Pt S2 -","- C32 H72 Cl8 O8 Pt4 S8 -","4","1","BK1039","De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.","<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)","Acta Crystallographica Section C","1995","51","4","619","621","10.1107/S0108270194009868","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003315","9.138","0.002","9.172","0.003","13.598","0.006","103.34","0.03","92.01","0.03","114.3","0.02","999.8","0.6","153","","","","","","","","","","from (Me~3~Si)~3~SiLi and Cl-SiMe~2~-SiMe~2~-Cl","3","P -1","-P 1","2","","","","- C22 H66 Si10 -","- C22 H66 Si10 -","- C22 H66 Si10 -","1","0.5","BK1051","Lambert, J. B.; Pflug, J. L.; Allgeier, A. M.; Campbell, D. J.; Higgins, T. B.; Singewald, E. T.; Stern, C. L.","A Branched Polysilane","Acta Crystallographica Section C","1995","51","4","713","715","10.1107/S0108270194009704","","","0.71069","MoKα","","","0.024","","","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003316","10.734","0.003","13.096","0.004","13.712","0.004","72.34","0.02","72.07","0.02","71.82","0.02","1695.9","0.9","188","1","188","1","","","","","","","","4","P -1","-P 1","2","","(N-[Methoxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C40 H34 N2 O9 -","- C41 H30 N2 O9.5 -","- C82 H60 N4 O19 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0576","0.0437","","0.0563","0.0543","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003317","10.747","0.003","11.529","0.003","11.661","0.002","89.82","0.02","70.51","0.02","67.43","0.02","1244.7","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","(N-[Adamantyloxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C30 H31 N O5 -","- C31 H27 N O5 -","- C62 H54 N2 O10 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0678","0.053","","0.0713","0.0692","","","","","2.297","2.297","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003318","12.491","0.001","12.368","0.001","15.655","0.001","90","","109.72","0.01","90","","2276.7","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N Ni P2 -","- C21 H35 N Ni P2 -","- C84 H140 N4 Ni4 P8 -","4","1","BK1063","VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-[Ni(Me~3~Ph)(NHPh)(PMe~3~)~2~], a Monomeric Ni^II^‒Amide Complex","Acta Crystallographica Section C","1995","51","4","591","593","10.1107/S0108270194011534","","","0.71073","MoKα","","","0.0445","","","0.0478","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003319","6.197","0.001","9.348","0.002","9.713","0.002","83.9","0.01","84.97","0.01","85.85","0.02","556.2","0.19","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","1","0.5","BK1067","Raptova, L.; Rapta, M.; Horak, V.","Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone","Acta Crystallographica Section C","1995","51","4","734","736","10.1107/S0108270194011091","","","0.71073","MoKα","","0.0769","0.0531","","0.1598","0.1372","","","","1.021","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003320","9.415","0.003","8.103","0.002","11.957","0.003","90","","90","","90","","912.2","0.4","130","2","130","2","","","","","","","","5","P m n 21","P 2ac -2","31","aminobenzyl-dioxocyclam nickel(II)","(6-(p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione)nickel(II)","","- C17 H25 N5 Ni O2 -","- C17 H25 N5 Ni O2 -","- C34 H50 N10 Ni2 O4 -","2","0.5","BK1076","Moran, J. K.; Olmstead, M. M.; Meares, C. F.","An Aminobenzyldioxocyclam Nickel(II) Complex","Acta Crystallographica Section C","1995","51","4","621","623","10.1107/S0108270194011753","","","0.71073","MoKα","","0.0345","0.0291","","0.0709","0.0667","","","","1.022","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003321","13.778","0.002","13.2816","0.0013","26.188","0.003","90","","90","","90","","4792.2","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate","","- C12 H36 B F4 N3 Ni P4 -","- C12 H36 B F4 N3 Ni P4 -","- C96 H288 B8 F32 N24 Ni8 P32 -","8","1","BK1077","Carson, C. C.; Pike, R. D.; Carpenter, G. B.","Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","4","595","598","10.1107/S0108270194010553","","","0.71073","MoKα","","0.1242","0.0577","","0.1529","0.1337","","","","0.852","1.106","1.106","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003322","22.5","0.003","6.0128","0.0005","13.254","0.0015","90","","102.446","0.01","90","","1751","0.3","183","1","183","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,7-Dimethoxybenzo[c]furan","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BK1080","Lynch, V. M.; Fairhurst, R. A.; Magnus, P.; Davis, B. E.","4,7-Dimethoxybenzo[<i>c</i>]furan","Acta Crystallographica Section C","1995","51","4","780","782","10.1107/S0108270194010152","","","0.71073","MoKα","","0.0569","0.0374","","0.0463","0.0416","","","","","1.302","1.302","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003323","15.818","0.002","15.818","0.002","7.087","0.001","90","","90","","120","","1535.7","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.022","","","0.025","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003324","15.805","0.002","15.805","0.002","7.084","0.001","90","","90","","120","","1532.5","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.02","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003325","5.833","0.002","6.593","0.003","7.73","0.003","80.97","0.03","81.11","0.03","76.43","0.03","283.2","0.2","293","2","293","2","","","","","","","Hydrothermal synthesis from NiCl~2~.6H~2~O and NaVO~3~.","4","P -1","-P 1","2","Nickel(II) Metavanadate Monohydrate","Nickel(II) divanadium(V)hexaoxide monohydrate","","- H4 Ni2 O14 V4 -","- Ni2 O14 V4 -","- Ni2 O14 V4 -","1","0.5","BR1075","Marcos, M. D.; Amorós, P.; Beltrán-Porter, A.; Ramírez de Arellano, M. C.","Hydrothermal Synthesis and Structure of Nickel(II) Metavanadate Monohydrate, NiV~2~O~6~.H~2~O","Acta Crystallographica Section C","1995","51","4","552","555","10.1107/S0108270194006797","","","0.71073","MoKα","","0.0575","0.0487","","0.1359","0.1284","","","","1.088","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003326","8.889","0.001","7.998","0.001","12.237","0.001","90","","103.82","0.01","90","","844.79","0.16","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 Cs2 Ga2 O7 -","- B2 Cs2 Ga2 O7 -","- B8 Cs8 Ga8 O28 -","4","1","BR1078","Smith, R. W.","Cs~2~Ga~2~O(BO~3~)~2~","Acta Crystallographica Section C","1995","51","4","547","549","10.1107/S0108270194009418","","","0.71069","MoKα","","","0.054","","","0.069","","","","","2.53","2.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003327","7.805","0.001","15.157","0.002","6.094","0.001","100.9","0.01","92.99","0.01","86.71","0.01","706.12","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","carbonic dihydrazide, bis(3-fluorophenylmethylene)-","","- C15 H12 F2 N4 O -","- C15 H12 F2 N4 O -","- C30 H24 F4 N8 O2 -","2","1","CR1090","Meyers, C. Y.; Kolb, V. M.; Robinson, P. D.","Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide","Acta Crystallographica Section C","1995","51","4","775","777","10.1107/S0108270194011492","","","0.71069","MoKα","","","0.044","","","0.051","","","","","1.92","1.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003328","8.109","0.003","11.845","0.005","12.364","0.005","71.08","0.03","76.82","0.03","87.62","0.03","1093.1","0.8","298","","","","","","","","","","Recrystallization from chloroform","4","P -1","-P 1","2","","","","- C10 H10 Cl2 Zr -","- C10 H10 Cl2 Zr -","- C40 H40 Cl8 Zr4 -","4","2","CR1136","Corey, J. Y.; Zhu, X.-H.; Brammer, L.; Rath, N. P.","Zirconocene Dichloride","Acta Crystallographica Section C","1995","51","4","565","567","10.1107/S0108270194011509","","","0.71073","MoKα","","","0.032","","","0.0379","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003329","6.718","0.002","12.27","0.004","13.273","0.004","64.19","0.02","81.76","0.02","89.25","0.02","973.3","0.6","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P -1","-P 1","2","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","2","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","0.71069","MoKα","","","0.05","","","0.048","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003330","7.169","0.001","10.875","0.001","13.842","0.002","90","","90","","90","","1079.2","0.2","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P 21 c n","P -2n 2a","33","","","","- C9 H11 N3 O6 -","- C9 H11 N3 O6 -","- C36 H44 N12 O24 -","4","1","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","1.5418","CuKα","","","0.032","","","0.042","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003331","12.61","0.003","16.038","0.004","12.106","0.003","111.51","0.02","107.92","0.02","94.07","0.02","2120.1","1","294","","294","","","","","","","","Synthesis (Legzdins, Rettig & S\'anchez, 1988)","6","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)nitrosyl(trimethylsilylmethyl) (N-trimethylsilylmethyl-N-nitrosohydroxylaminato)tungsten","","- C13 H27 N3 O3 Si2 W -","- C13 H27 N3 O3 Si2 W -","- C52 H108 N12 O12 Si8 W4 -","4","2","CR1148","Evans, S. V.; Legzdins, P.; Rettig, S. J.; Sánchez, L.; Trotter, J.","A Tungsten Nitrosyl Complex","Acta Crystallographica Section C","1995","51","4","584","586","10.1107/S0108270194010942","","","0.7093","MolybdenumKα~1~","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","190984","2020-10-21","18:00:00",""
"2003332","10.0077","0.0006","10.0077","0.0006","7.4342","0.0008","90","","90","","120","","644.81","0.09","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 Sr5 V3 -","- F0.98 Nd0.061 O12 Sr4.909 V2.916 -","- F1.96 Nd0.122 O24 Sr9.818 V5.832 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.022","","","0.027","","","","","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003333","9.7156","0.0004","9.7156","0.0004","7.281","0.0003","90","","90","","120","","595.2","0.04","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 P3 Sr5 -","- F Nd0.027 O12 P2.925 Sr4.959 -","- F2 Nd0.054 O24 P5.85 Sr9.918 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.023","","","0.029","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003334","9.987","0.004","12.937","0.004","8.921","0.002","90","","90","","90","","1152.6","0.6","295","","","","","","","","","","benzene-acetic acid (9:1)","3","P 21 21 2","P 2 2ab","18","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","FG1008","Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.","Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid","Acta Crystallographica Section C","1995","51","4","644","646","10.1107/S0108270194011480","","","0.71069","MoKα","","","0.0414","","","0.0457","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003335","8.155","0.013","8.546","0.008","8.681","0.011","102.47","0.09","117.42","0.11","93.41","0.11","515.5","1.3","291","2","291","2","","","","","cooling to 253 K","","","4","P -1","-P 1","2","","Bis(η^5^-indenyl)tetrakis(μ~2~-iodo)dimolybdenum","","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","1","0.5","FG1020","Falvello, L. R.; Mattamana, S. P.; Poli, R.","Bis(η^5^-indenyl)tetrakis(μ-iodo)dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1995","51","4","569","571","10.1107/S010827019400870X","","","0.71073","MoKα","","0.0755","0.0467","","0.1148","0.101","","","","1.02","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003336","12.398","0.002","10.057","0.001","10.177","0.001","90","","109.65","0.01","90","","1195","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methoxy-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.1272","0.0511","","0.412","0.0799","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003337","11.29","0.002","19.433","0.002","11.782","0.002","90","","118.22","0.02","90","","2277.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methyl-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O -","- C12 H20 O -","- C96 H160 O8 -","8","2","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.2353","0.0515","","0.0743","0.061","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003338","10.497","0.002","17.505","0.006","9.903","0.003","90","","113.46","0.05","90","","1669.3","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(isopropyldiphenylphosphineoxide)diiodocobalt(II)","","- C30 H34 Co I2 O2 P2 -","- C30 H34 Co I2 O2 P2 -","- C60 H68 Co2 I4 O4 P4 -","2","1","FG1037","Bauer, S. K.; Willis, C. J.; Payne, N. C.","Diiodobis(isopropyldiphenylphosphine oxide-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1995","51","4","586","588","10.1107/S0108270194010978","","","0.71073","MoKα","","0.0481","0.0354","","0.0965","0.0865","","","","1.064","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003339","18.205","0.002","7.282","0.002","11.022","0.002","90","","100.62","0.02","90","","1436.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,1'-Ferrocenediyl)methylphenylsilane","","- C17 H16 Fe Si -","- C17 H16 Fe Si -","- C68 H64 Fe4 Si4 -","4","1","FG1039","Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G.","The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane","Acta Crystallographica Section C","1995","51","4","580","582","10.1107/S010827019401190X","","","0.71073","MoKα","","0.0738","0.0399","","0.0501","0.0468","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003340","8.976","0.001","10.8","0.001","27.401","0.003","90","","90","","90","","2656.3","0.5","293","","","","","","","","","","Recrystallized from methanol","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","1","GR0163","Wang, Q.; Tu, Y.","A New Bioactive β-Dihydroagarofuran Sesquiterpenoid","Acta Crystallographica Section C","1995","51","4","732","734","10.1107/S0108270193005219","","","0.7093","MoKα","","","0.037","","","0.035","","","","","0.241","0.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003341","6.027","0.003","11.177","0.003","10.715","0.004","90","","97.03","0.04","90","","716.4","0.5","100","0.2","100","0.2","","","","","","","Reaction of 1,4,7-triazacyclononane with (MeO)~2~CHNMe~2~. A clear oil was obtained by vacuum distillation.","3","P 1 21/n 1","-P 2yn","14","","1,4,7-triazatricyclo[5.2.1.0^4.10^]decane","","- C7 H13 N3 -","- C7 H13 N3 -","- C28 H52 N12 -","4","1","HA1126","Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M.","1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K","Acta Crystallographica Section C","1995","51","4","738","741","10.1107/S0108270194009546","","","0.71073","MoKα","","0.0868","0.0607","","0.192","0.1578","","","","1.029","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003342","5.294","0.002","7.718","0.002","13.274","0.004","83.57","0.02","84.65","0.02","74.94","0.02","519.3","0.3","296","","296","","","","","","","","Synthesized at UMIST","4","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane","","- C10 H10 F2 S2 -","- C10 H10 F2 S2 -","- C20 H20 F4 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0297","","","0.0343","","","","","2.159","2.159","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003343","5.257","0.002","7.332","0.002","15.474","0.005","87.61","0.03","85.91","0.03","78.47","0.03","582.7","0.3","296","","296","","","","","","","","Synthesized at UMIST","5","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane-1,1,3,3-tetraoxide","","- C10 H10 F2 O4 S2 -","- C10 H10 F2 O4 S2 -","- C20 H20 F4 O8 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0301","","","0.0356","","","","","1.492","1.492","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003344","12.392","0.002","5.694","0.0011","19.951","0.003","90","","98.13","0.13","90","","1393.6","0.6","153","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H18 O4 S4 -","- C8 H18 O4 S4 -","- C32 H72 O16 S16 -","4","0.5","HH1027","Freeman, F.; Ma, X.-B.; Ziller, J. W.; Lin, R. I.","Bis(<i>tert</i>-butylsulfonyl) Disulfide","Acta Crystallographica Section C","1995","51","4","661","663","10.1107/S010827019400781X","","","0.71073","MoKα","","","0.041","","","0.045","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003345","5.9314","0.0008","18.92","0.003","15.866","0.002","90","","91.474","0.012","90","","1779.9","0.4","168","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 S -","- C24 H20 S -","- C96 H80 S4 -","4","1","HH1053","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene","Acta Crystallographica Section C","1995","51","4","657","659","10.1107/S0108270194007833","","","0.71073","MoKα","","","0.043","","","0.055","","","","","2.23","2.23","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003346","7.3431","0.0013","7.6239","0.0017","12.2209","0.002","78.411","0.016","78.381","0.014","79.439","0.015","649.2","0.2","158","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 S2 -","- C32 H30 S2 -","- C32 H30 S2 -","1","0.5","HH1054","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(<i>p</i>-tolylmethylthio)-1,3-butadiene","Acta Crystallographica Section C","1995","51","4","659","661","10.1107/S0108270194007845","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.42","1.42","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003347","15.034","0.002","15.034","0.002","7.187","0.002","90","","90","","120","","1406.8","0.5","296","","","","","","","","","","acetone recrystallization","4","P 32","P 32","","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C63 H84 N6 O6 -","3","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","0.048","0.048","","0.054","0.052","","","","","","","","","","","has coordinates","281832","2023-03-13","07:38:35",""
"2003348","11.949","0.001","13.284","0.001","11.504","0.001","90","","90","","90","","1826","0.3","296","","","","","","","","","","acetone recrystallization","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","","0.042","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003349","8.205","0.002","14.321","0.005","12.838","0.004","90","","107.73","0.02","90","","1436.9","0.8","293","","","","","","","","","","Phillips (1959)","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","HR1008","Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.","2-Methyl-2-(2-methylphenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","4","707","709","10.1107/S010827019400867X","","","0.71073","MoKα","","","0.0529","","","0.0565","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003350","7.383","0.001","11.045","0.002","11.253","0.002","92.68","0.02","90.38","0.02","95.93","0.02","911.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid","","","- C20 H16 F5 N O4 -","- C20 H16 F5 N O4 -","- C40 H32 F10 N2 O8 -","2","1","HR1028","Goud, B. S.; Reddy, P. K.; Panneerselvam, K.; Desiraju, G. R.","1:1 Molecular Complex of 2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic Acid and 4-(<i>N</i>,<i>N</i>-Dimethylamino)-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1995","51","4","683","685","10.1107/S0108270194007894","","","0.71073","MoKα","","0.0479","0.0329","","0.0919","0.0875","","","","0.909","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003351","13.945","0.008","6.751","0.008","19.326","0.003","90","","101.4","0.9","90","","1784","6","293","","","","","","","","","","From layering a solution of (I) in CHCl~3~ with petroleum (333-363 K)--piperidine","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C88 H52 Br8 N8 -","2","0.5","HU1026","Zou, J.-Z.; Xu, Z.; Li, M.; You, X.-Z.; Wang, H.-Q.","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin, C~44~H~26~Br~4~N~4~","Acta Crystallographica Section C","1995","51","4","760","761","10.1107/S0108270194000053","","","0.71073","MoKα","","","0.074","","","0.081","","","","","3.89","3.89","","","","","has coordinates","204127","2020-10-21","18:00:00",""
"2003352","9.475","0.001","8.57","0.001","9.194","0.001","90","","97.43","0.009","90","","740.29","0.14","293","","","","","","","","","","recrystallized from CH~2~Cl~2~","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 I2 S4 -","- C8 H12 I2 S4 -","- C16 H24 I4 S8 -","2","0.5","HU1090","Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.","Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)","Acta Crystallographica Section C","1995","51","4","697","700","10.1107/S0108270194010267","","","0.71069","MoKα","","","0.047","","","0.061","","","","","0.66","0.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003353","7.221","0.002","7.262","0.001","14.67","0.002","76.97","0.01","82.28","0.01","79.4","0.01","733.2","0.3","150","2","150","2","","","","","","","Synthesis at Dept of Physics, Univ. of Durham","3","P -1","-P 1","2","Z-β-(1-diethylmethylimmonium)-α-cyano-4-styryldicyanomethanide","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","HU1101","Cole, J. C.; Howard, J. A. K.; Cross, G. H.; Szablewski, M.","(<i>Z</i>)-{4-[1-Cyano-3-(diethyliminio)-1-propenyl]phenyl}dicyanomethanide, a Novel `Blue Window' Zwitterionic Molecule for Non-Linear Optics","Acta Crystallographica Section C","1995","51","4","715","718","10.1107/S0108270194006487","","","0.71073","MoKα","","0.0965","0.0417","","0.0866","0.0729","","","","1.181","1.28","1.28","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003354","10.06","0.002","19.793","0.004","10.251","0.002","90","","118.9","0.1","90","","1787","1.8","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C56 H100 Cl4 N4 O16 Ru4 S4 -","2","1","HU1111","Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R.","[(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O","Acta Crystallographica Section C","1995","51","4","578","580","10.1107/S0108270194010218","","","0.7107","MoKα","","","0.0406","","","0.0434","","","","","1.096","1.096","","","","","has coordinates","191022","2020-10-21","18:00:00",""
"2003355","8.563","0.003","21.871","0.001","27.728","0.011","90","","90","","90","","5193","3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1)","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","HU1132","Black, J. R.; Levason, W.; Webster, M.","Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate","Acta Crystallographica Section C","1995","51","4","623","625","10.1107/S0108270194012527","","","0.71069","MoKα","","","0.0539","","","0.0678","","","","","1.09","1.09","","","","","has coordinates","288350","2023-12-15","17:45:49",""
"2003356","9.684","0.002","12.764","0.002","16.773","0.003","76.84","0.01","75.11","0.01","71.03","0.01","1871.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl-μ-hydrido-dimanganese-μ~3~-cyclohexylphosphanido-gold-tri- cyclohexylphosphine","","- C32 H45 Au Mn2 O8 P2 -","- C32 H45 Au Mn2 O8 P2 -","- C64 H90 Au2 Mn4 O16 P4 -","2","1","JZ1018","Flörke, U.; Haupt, H.-J.","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>)","Acta Crystallographica Section C","1995","51","4","573","575","10.1107/S0108270194011522","","","0.71073","MoKα","","0.0574","0.0397","","0.0935","0.0852","","","","1.022","1.039","1.039","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003357","19.053","0.006","11.451","0.003","19.309","0.003","90","","96.62","0.02","90","","4184.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O -","- C25 H25 N3 O -","- C200 H200 N24 O8 -","8","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.1066","0.0578","","0.2101","0.1641","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003358","7.423","0.001","20.54","0.001","9.1829","0.0007","90","","101.448","0.008","90","","1372.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.0657","0.053","","0.1602","0.1454","","","","1.122","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003359","8.8937","0.0006","7.7404","0.0006","9.5873","0.0006","90","","91.528","0.009","90","","659.76","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-Dibromo-3-dibromomethylene-2,2-dimethyl-1-hydroxy-8,9,10,trinorbornane","","- C10 H12 Br4 O -","- C10 H12 Br4 O -","- C20 H24 Br8 O2 -","2","1","KA1095","Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z.","7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol","Acta Crystallographica Section C","1995","51","4","736","738","10.1107/S0108270194009406","","","1.54178","CuKα","","0.033","0.0329","","0.091","0.0909","","","","1.094","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003360","8.756","0.004","14.611","0.006","18.979","0.008","90","","101.21","0.04","90","","2381.7","1.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,10-phenanthroline)bis(dicyanamide)copper(II)","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1097","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Bis(dicyanamide)bis(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1995","51","4","600","602","10.1107/S0108270194012084","","","0.71069","MoKα","","0.1193","0.0405","","0.1177","0.0933","","","","0.686","0.79","0.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003361","7.353","0.009","10.805","0.007","9.959","0.011","90","","93.2","0.1","90","","790","1.4","148","2","148","2","","","","","","","slow evaporation from hexane","3","P 1 21 1","P 2yb","4","diosphenol","(Z)-12-hydroxy-14,15-dinorlabda-8(17),11-dien-13-one","","- C18 H28 O2 -","- C18 H28 O2 -","- C36 H56 O4 -","2","1","KH1019","Grant, P. K.; Hanton, L. R.; Wong, G.","(<i>Z</i>)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~","Acta Crystallographica Section C","1995","51","4","743","744","10.1107/S0108270194014551","","","0.71069","MoKα","","0.0683","0.0517","","0.1464","0.1357","","","","0.973","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003362","9.672","0.002","11.69","0.002","19.184","0.004","90","","95.12","0.02","90","","2160.4","0.7","293","","","","","","","","","","Crystallized from acetonitrile","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N5 O0.5 -","- C10 H12 N5 O0.5 -","- C80 H96 N40 O4 -","8","2","LI1108","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1995","51","4","685","688","10.1107/S0108270194009352","","","1.54178","CuKα","","","0.0566","","","0.0767","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003363","8.236","0.003","14.967","0.004","24.032","0.005","90","","90","","90","","2962.4","1.5","293","","293","","","","","","","","recrystallized from a mixture of chloroform and ethanol","4","P 21 21 21","P 2ac 2ab","19","","P-chlorophenyl-3,4,6-tri-O-benzyl-2-deoxy-2-methylene-β-D-glucopyranoside","","- C34 H33 Cl O5 -","- C34 H33 Cl O5 -","- C136 H132 Cl4 O20 -","4","1","LI1117","Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K.","<i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","4","758","759","10.1107/S0108270194010711","","","1.5418","CuKα","","0.071","0.042","","0.085","0.047","","","","0.65","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003364","10.648","0.002","12.589","0.003","18.594","0.004","90","","90","","90","","2492.5","0.9","233","","233","","","","","","","","synthesized at UMIST","5","P b c a","-P 2ac 2ab","61","","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole","","- C13 H8 F6 N2 O -","- C13 H8 F6 N2 O -","- C104 H64 F48 N16 O8 -","8","1","LI1130","Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole","Acta Crystallographica Section C","1995","51","4","770","772","10.1107/S0108270194011881","","","0.71069","MoKα","","","0.0387","","","0.0458","","","","","1.15","1.15","","","","","has coordinates,has disorder","200173","2020-10-21","18:00:00",""
"2003365","7.447","0.001","10.387","0.002","30.082","0.01","90","","90","","90","","2326.9","0.9","298","","","","","","","","","","synthesis","5","P 21 n b","P -2bc 2a","33","","","","- C14 H36 Cl4 N2 Zn -","- C14 H36 Cl4 N2 Zn -","- C56 H144 Cl16 N8 Zn4 -","4","1","MU1079","Guo, N.; Lin, Y.-H.; Xi, S.-Q.","Bis(<i>n</i>-heptylammonium) Tetrachlorozincate","Acta Crystallographica Section C","1995","51","4","617","619","10.1107/S0108270194009248","","","0.71073","MoKα","","","0.053","","","0.045","","","","","1.181","1.181","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003366","9.601","0.002","13.69","0.002","14.808","0.002","90","","100.83","0.01","90","","1911.7","0.6","183","","","","","","","","","","crystallization from hexane","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N Ti -","- C20 H32 N Ti -","- C80 H128 N4 Ti4 -","4","1","MU1104","Brady, E.; Telford, J. R.; Mitchell, G.; Lukens, W.","Amidobis(pentamethylcyclopentadienyl)titanium(III)","Acta Crystallographica Section C","1995","51","4","558","560","10.1107/S0108270194005792","","","0.71073","MoKα","","","0.0353","","","0.0447","","","","","1.988","1.988","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003367","6.179","0.001","11.534","0.001","11.609","0.002","90","","95.79","0.01","90","","823.1","0.2","290","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 Ni S4 -","- C10 H20 N2 Ni S4 -","- C20 H40 N4 Ni2 S8 -","2","0.5","MU1109","Selvaraju, R.; Panchanatheswaran, K.; Thiruvalluvar, A.; Parthasarathi, V.","Redetermination of Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)nickel(II)","Acta Crystallographica Section C","1995","51","4","606","608","10.1107/S0108270194010292","","","0.71073","MoKα","","","0.032","","","0.033","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003368","12.835","0.003","17.596","0.003","16.015","0.003","90","","90","","90","","3616.9","1.2","298","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C104 H176 Cl16 O8 P8 Pt8 S8 -","4","0.5","MU1113","Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.","The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~","Acta Crystallographica Section C","1995","51","4","604","606","10.1107/S0108270194009108","","","0.71069","MoKα","","","0.0383","","","0.0428","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003369","11.925","0.001","13.293","0.003","16.314","0.002","90","","99.21","0.01","90","","2552.7","0.7","295","","","","","","","","","","from CH~2~Cl~2~/hexane","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl2 P2 Pd -","- C26 H24 Cl2 P2 Pd -","- C104 H96 Cl8 P8 Pd4 -","4","1","MU1120","Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P.","<i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)","Acta Crystallographica Section C","1995","51","4","593","595","10.1107/S0108270194007560","","","1.5418","CuKα","","","0.084","","","0.084","","","","","3.22","3.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003370","8.931","0.002","11.303","0.006","9.143","0.002","90","","103.47","0.02","90","","897.6","0.6","293","1","","","","","","","","","Slow diffusion of water into a methanol solution at 277 K","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C22 H48 B20 Si2 -","2","0.5","MU1122","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","651","654","10.1107/S010827019400908X","","","0.71069","MoKα","","","0.0643","","","0.0892","","","","","1.341","1.341","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003371","9.3854","0.0019","10.2938","0.0026","13.061","0.005","68.607","0.025","70.281","0.024","64.998","0.017","1039.4","0.6","293","1","","","","","","","","","slow diffusion of water into a methanol solution at 277K","4","P -1","-P 1","2","","","","- C14 H30 B10 Si -","- C14 H30 B10 Si -","- C28 H60 B20 Si2 -","2","1","MU1123","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","654","657","10.1107/S0108270194009078","","","0.71069","MoKα","","","0.0836","","","0.0939","","","","","1.351","1.351","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003372","10.076","0.001","11.372","0.001","10.571","0.001","90","","100.33","0.02","90","","1191.6","0.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","MU1125","Ravikumar, K.; Swamy, G. Y. S. K.; Venkata Lakshmi, N.","Structure of a Coordination Polymer Reminiscent of the Pleated Sheets Observed in Polypeptides: Diaqua(2,2'-bipyridine-3,3'-dicarboxylato)copper(II)","Acta Crystallographica Section C","1995","51","4","608","611","10.1107/S0108270194009789","","","0.71069","MoKα","","","0.048","","","0.045","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003373","7.997","0.004","9.746","0.006","10.979","0.002","78.87","0.03","70.26","0.03","79.48","0.04","783.8","0.7","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1127","Huang, X.-Y.; Xiong, R.-G.; Dong, J.-X.; You, X.-Z.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ2<i>S</i>,<i>S</i>')bis(isoquinoline-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","4","598","600","10.1107/S0108270194011327","","","0.71069","MoKα","","","0.049","","","0.066","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003374","17.519","0.002","7.1971","0.0008","25.835","0.003","90","","90.487","0.011","90","","3257.3","0.6","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 O18 S3 Ti -","- C21 H29 O18 S3 Ti -","- C84 H116 O72 S12 Ti4 -","4","1","MU1139","Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G.","Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate","Acta Crystallographica Section C","1995","51","4","560","562","10.1107/S0108270194010826","","","0.71073","MoKα","","0.1138","0.0656","","0.228","0.1722","","","","1.049","1.048","1.048","","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2003375","7.0278","0.0003","10.855","0.0005","15.6339","0.0007","90","","90","","90","","1192.66","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl3 N2 O3 -","- C9 H7 Cl3 N2 O3 -","- C36 H28 Cl12 N8 O12 -","4","1","MU1141","Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.","<i>p</i>-Nitrobenzyl Trichloroacetimidate","Acta Crystallographica Section C","1995","51","4","741","743","10.1107/S0108270194010838","","","0.71073","MoKα","","0.0251","0.0228","","0.0623","0.0597","","","","1.041","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003376","12.636","0.003","12.636","0.003","12.636","0.003","90","","90","","90","","2017.6","0.8","153","0.2","153","0.2","","","","","","","The title compound was prepared according to the literature method (Fischer & Boltcher, 1957) and well-formed colourless octahedral crystals were grown by slow evaporation from nitromethane at room temperature.","5","P a -3","-P 2ac 2ab 3","205","","Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate","","- C18 H24 B2 F8 Ru -","- C18 H24 B2 F8 Ru -","- C72 H96 B8 F32 Ru4 -","4","0.166667","MU1142","Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.","The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K","Acta Crystallographica Section C","1995","51","4","582","584","10.1107/S0108270194010206","","","0.71073","MoKα","","0.0601","0.0412","","0.182","0.1102","","","","1.171","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003377","12.0761","0.0006","12.2729","0.0006","21.0414","0.0014","90","","90","","90","","3118.5","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H28 N4 O8 Zn2 -","- C28 H28 N4 O8 Zn2 -","- C112 H112 N16 O32 Zn8 -","4","0.5","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0418","0.0288","","0.084","0.074","","","","1.062","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003378","10.343","0.002","18.329","0.003","9.671","0.002","90","","117.38","0.02","90","","1628","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","1","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0899","0.0396","","0.1129","0.0851","","","","1.078","1.066","1.066","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003379","21.47","0.006","16.765","0.002","9.6155","0.0014","90","","90","","90","","3461","1.2","150","0.2","150","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V)","","- C36 H30 Cl4 Mo N O P2 -","- C36 H30 Cl4 Mo N O P2 -","- C144 H120 Cl16 Mo4 N4 O4 P8 -","4","1","MU1151","Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.","Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K","Acta Crystallographica Section C","1995","51","4","571","573","10.1107/S0108270194011303","","","0.71073","MoKα","","0.0546","0.0422","","0.0872","0.078","","","","1.082","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003380","29.835","0.005","19.784","0.002","9.913","0.001","90","","90","","90","","5851.2","1.3","293","","","","","","","","","","Slow evaporation from benzene and acetonitrile solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N10 O11 -","- C52 H71 N10 O11 -","- C208 H284 N40 O44 -","4","1","NA1092","Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C.","[Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture","Acta Crystallographica Section C","1995","51","4","663","666","10.1107/S0108270194006864","","","1.54056","CuKα","","","0.068","","","0.071","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003381","16.031","0.003","16.036","0.002","16.821","0.003","90","","113.74","0.01","90","","3958.3","1.2","294","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Cl4 O3 Rh S3 -","- C9 H23 Cl4 O3 Rh S3 -","- C72 H184 Cl32 O24 Rh8 S24 -","8","2","NA1100","Calligaris, M.; Faleschini, P.","Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)","Acta Crystallographica Section C","1995","51","4","588","591","10.1107/S0108270194010425","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003382","9.386","0.001","27.912","0.003","9.463","0.001","90","","115.27","0.02","90","","2241.9","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","2","NA1107","Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M.","Z-AzPro-AzPro-OBzl","Acta Crystallographica Section C","1995","51","4","688","690","10.1107/S0108270194012436","","","1.54056","CuKα","","","0.031","","","0.035","","","","","2.37","2.37","","","","","has coordinates","198394","2020-10-21","18:00:00",""
"2003383","10.319","0.001","12.716","0.001","13.9132","0.0007","109.841","0.005","100.207","0.006","101.96","0.008","1618.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromobis(4-metoxyphenyl)tellurium(IV)","","- C14 H14 Br2 O2 Te -","- C14 H14 Br2 O2 Te -","- C56 H56 Br8 O8 Te4 -","4","2","NA1109","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Germain, G.; Torres-Castellanos, L.","Dibromobis(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1995","51","4","639","641","10.1107/S0108270194007122","","","0.71069","MoKα","","0.0592","0.0311","","0.08","0.0776","","","","1.002","1.229","1.229","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003384","15.976","0.004","16.627","0.004","23.67","0.006","90.08","0.02","89.97","0.02","69.16","0.02","5876","3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","tris[2,3-di(trimethylsilyl)-2,3-dicarba-1-lithia-closo- heptaborane-1κO;4κTb;5κ^2^Tb;6κTb]-tris[2,3-di(trimethylsilyl)-2,3-dicarba- 1-terba-closo-heptaborane-1κO';1κ^4^B;4κLi;5κ^2^Li;6κLi]-tris-μ~4~- tetrahydrofuranyllithium-μ~3~-methoxy-μ~3~-oxide","","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C134 H330 B48 Li12 O10 Si24 Tb6 -","2","1","NA1110","Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~","Acta Crystallographica Section C","1995","51","4","635","638","10.1107/S0108270194008164","","","0.71073","MoKα","","0.0332","0.0289","","0.0793","0.0737","","","","1.025","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003385","5.518","0.001","13.059","0.005","18.246","0.004","90","","90","","90","","1314.8","0.6","298","","","","","","","","","","from methanolic solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","NA1115","Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.","(<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide","Acta Crystallographica Section C","1995","51","4","642","644","10.1107/S0108270194012278","","","0.71069","MoKα","","","0.03","","","0.033","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003386","12.653","0.001","11.233","0.001","11.388","0.001","90","","98.4","0.01","90","","1601.2","0.2","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","3","P 1 21/c 1","-P 2ybc","14","","4H-cyclopenta[2,1-b;3,4-b']dithiophene","","- C9 H6 S2 -","- C9 H6 S2 -","- C72 H48 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.031","","","0.035","","","","","1.951","1.951","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003387","21.792","0.004","21.792","0.004","12.566","0.002","90","","90","","120","","5168","1.6","295","2","295","2","","","","","","","chemical synthesis (Sannicol\'o, 1994).","3","P -3","","","","spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane]","","- C13 H12 S2 -","- C13 H12 S2 -","- C234 H216 S36 -","18","3","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.034","","","0.035","","","","","1.654","1.654","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003388","14.03","0.002","9.009","0.002","16.306","0.005","90","","113.49","0.02","90","","1890.2","0.8","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","4","P 1 21/c 1","-P 2ybc","14","","4H,6H-dithieno[3,2-c:2',3'-e]oxepine","","- C10 H8 O S2 -","- C10 H8 O S2 -","- C80 H64 O8 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.841","1.841","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003389","7.643","0.002","24.604","0.003","7.767","0.001","90","","115.29","0.02","90","","1320.6","0.5","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","6H-4,7,8,10-tetrahydrodithieno[3,2-g,2',3'-i][1,4]dioxacycloundecine,","","- C13 H14 O2 S2 -","- C13 H14 O2 S2 -","- C52 H56 O8 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.038","","","","","2.097","2.097","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003390","7.999","0.001","12.06","0.002","14.93","0.002","90","","102.46","0.01","90","","1406.3","0.4","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","4,6,7,9,10,12-hexahydrodithieno[3,2-c;2',3'-e][1,4,7]trioxacyclotridecine","","- C14 H16 O3 S2 -","- C14 H16 O3 S2 -","- C56 H64 O12 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.035","","","0.046","","","","","2.024","2.024","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003391","14.168","0.002","13.323","0.002","19.47","0.003","90","","106.72","0.01","90","","3519.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 F24 N S Sn -","- C31 H19 F24 N S Sn -","- C124 H76 F96 N4 S4 Sn4 -","4","1","NA1120","Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W.","{<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K","Acta Crystallographica Section C","1995","51","4","631","633","10.1107/S0108270194011996","","","0.71073","MoKα","","0.063","0.0422","","0.1022","0.0895","","","","1.034","1.05","1.05","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003392","10.206","0.002","9.692","0.001","24.498","0.001","90","","91.91","0.02","90","","2421.9","0.5","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P 1 21/c 1","-P 2ybc","14","","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepine maleic acid","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","NA1122","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate)","Acta Crystallographica Section C","1995","51","4","777","780","10.1107/S0108270194011637","","","1.54184","CuKα","","0.0674","0.0478","","0.173","0.1492","","","","1.051","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003393","18.06","0.002","10.716","0.001","22.338","0.002","90","","112.89","0.02","90","","3982.7","0.9","295","","295","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1,2-Bis-crown-5-calix [4] arene","","- C44 H52 O10 -","- C44 O10 -","- C176 O40 -","4","1","PA1099","Pèpe, G.; Astier, J.-P.; Estienne, J.; Bressot, C.; Asfari, Z.; Vicens, J.","1,2-Bis-crown-5-calix[4]arene","Acta Crystallographica Section C","1995","51","4","726","729","10.1107/S0108270194002994","","","1.5416","CuKα","","0.11","0.11","","0.11","0.11","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003394","7.799","0.001","8.132","0.002","8.823","0.001","99.48","0.01","93.84","0.01","117.02","0.02","485.24","0.17","293","","","","","","","","","","\'evaporation d'une solution aqueuse","6","P -1","-P 1","2","","","","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","1","0.5","PA1105","Viossat, B.; Nguyen-Huy, D.; Rodier, N.","Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1995","51","4","628","629","10.1107/S0108270194007432","","","0.7107","MoKᾱ","","","0.023","","","0.029","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003395","31.1","0.01","9.452","0.005","9.507","0.004","90","","90","","90","","2795","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O10 -","- C28 H30 O10 -","- C112 H120 O40 -","4","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.065","","","0.078","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003396","18.548","0.009","11.886","0.005","9.393","0.003","90","","90","","90","","2070.8","1.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O -","- C14 H10 O -","- C112 H80 O8 -","8","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.048","","","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003397","7.813","0.002","11.83","0.002","19.022","0.006","90","","100.61","0.03","90","","1728.1","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Phenyl-4-oxo-tricyclo-3-aza-10-oxa[5.2.1.0^1,5^]-dec-8-ene- 6-carboxylic acid","","- C17 H19 N O5 S -","- C17 H19 N O5 S -","- C68 H76 N4 O20 S4 -","4","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.044","0.044","","0.044","0.044","","","","0.74","0.74","0.74","","","","","has coordinates","198395","2020-10-21","18:00:00",""
"2003398","16.961","0.005","13.219","0.002","11.598","0.002","90","","81.41","0.02","90","","2571.2","1","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C120 H104 N8 O32 -","8","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.041","0.041","","0.041","0.041","","","","0.93","0.93","0.93","","","","","has coordinates","218197","2020-10-21","18:00:00",""
"2003399","19.051","0.003","26.274","0.004","9.487","0.003","90","","90","","90","","4748.7","1.8","173","1","173","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl- 6,6'-dithiocyanato-α,α-trehalose","2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranoside","","- C44 H40 N2 O17 S4 -","- C44 H40 N2 O17 S4 -","- C176 H160 N8 O68 S16 -","4","1","PA1147","Linden, A.; Lee, C. K.","2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose","Acta Crystallographica Section C","1995","51","4","751","754","10.1107/S0108270194011595","","","0.71069","MoKα","","0.0679","0.0373","","0.0423","0.0381","","","","","1.376","1.376","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003400","15.62","0.002","6.887","0.002","13.616","0.002","90","","91.82","0.01","90","","1464","0.5","173","1","173","1","","","","","","","Suitable crystals of the title compound were obtained from aqueous solution.","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethyl-1H-pyrrole-2-carboxamide","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C56 H80 N16 O8 -","8","1","PA1149","Linden, A.; Wright, A. D.; König, G. M.","<i>N</i>,<i>N</i>-Dimethyl-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section C","1995","51","4","744","747","10.1107/S0108270194011285","","","0.71069","MoKα","","0.1618","0.0442","","0.0461","0.0353","","","","","1.611","1.611","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003401","6.771","0.004","7.516","0.002","15.765","0.004","85.19","0.02","80","0.02","79.52","0.04","775.8","0.6","293","2","293","2","","","","","","","crystallisation from dry acetone containing small amounts of methanol","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C12 H26 Br N O2 -","- C12 H26 Br N O2 -","- C24 H52 Br2 N2 O4 -","2","1","SE1060","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethyloctylammonium Bromide","Acta Crystallographica Section C","1995","51","4","766","768","10.1107/S0108270194006554","","","0.71069","MoKα","","","0.039","","","0.045","","","","","1.604","1.604","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003402","16.154","0.003","16.483","0.006","11.454","0.006","90","","90","","90","","3050","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","0.71069","MoKα","","","0.082","","","0.062","","","","","4.02","4.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003403","15.676","0.003","16.433","0.005","11.316","0.003","90","","90","","90","","2915","1.3","163","2","163","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","1.54178","CuKα","","","0.06","","","0.045","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003404","15.121","0.002","8.475","0.002","18.357","0.002","90","","105.6","0.02","90","","2265.8","0.7","293","2","293","2","","","","","","","erstmalige Darstellung im st\""ochiometrischen Ansatz aus den Komponenten KI, I~2~, 2.2-Crypt.","6","C 1 2/c 1","-C 2yc","15","Kalium(2.2-Crypt)triiodid","Kalium-1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan-triiodid","","- C12 H26 I3 K N2 O4 -","- C12 H26 I3 K N2 O4 -","- C48 H104 I12 K4 N8 O16 -","4","0.5","SE1068","Tebbe, K.-F.; Kavoosian, A.","Kalium-2,2-Crypt-triiodid","Acta Crystallographica Section C","1995","51","4","562","565","10.1107/S010827019401005X","","","0.71069","MoKα","","0.041","0.0332","","0.1032","0.1003","","","","1.465","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003405","9.71","0.001","7.386","0.001","15.236","0.001","90","","90.67","0.01","90","","1092.6","0.2","193","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N Si3 -","- C21 H27 N Si3 -","- C42 H54 N2 Si6 -","2","1","SE1070","Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H.","Tris(<i>p</i>-tolylsilyl)amine","Acta Crystallographica Section C","1995","51","4","756","758","10.1107/S0108270194012163","","","0.71073","MoKα","","","0.028","","","0.0304","","","","","0.411","0.411","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003406","6.791","0.003","7.554","0.004","18.304","0.007","89.89","0.05","84.06","0.04","81.94","0.08","924.6","0.8","294","","","","","","","","","","","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C15 H32 Br N O2 -","- C15 H31 Br N O2 -","- C30 H62 Br2 N2 O4 -","2","1","SE1072","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethylundecylammonium Bromide","Acta Crystallographica Section C","1995","51","4","768","770","10.1107/S0108270194011443","","","0.71073","MoKα","","","0.06","","","0.055","","","","","0.928","0.928","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003407","9.6093","0.0009","9.606","0.001","10.118","0.001","81.581","0.009","77.02","0.01","72.97","0.01","866.93","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 I Sn -","- C18 H15 I Sn -","- C36 H30 I2 Sn2 -","2","1","TA1013","Ng, S. W.","Triphenyltin Iodide","Acta Crystallographica Section C","1995","51","4","629","631","10.1107/S0108270194012400","","","0.71073","MoKα","","","0.028","","","0.03","","","","","0.403","0.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003408","13.944","0.004","5.823","0.002","15.172","0.005","90","","105.86","0.02","90","","1185","0.7","296","","","","","","","","","","from 99.7% ethanol","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H13 O S -","- C56 H52 O4 S4 -","4","1","AB1139","He, Y.; Su, G.; Shi, J.","3-(4-Methylphenyl)-1-(3-thienyl)-2-propen-1-one","Acta Crystallographica Section C","1995","51","5","989","991","10.1107/S0108270194008346","","","0.71069","MoKα","","","0.058","","","0.079","","","","","2.4","2.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003409","10.167","0.005","8.797","0.003","13.155","0.007","90","","96.41","0.04","90","","1169.2","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.055","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003410","10.655","0.005","10.688","0.005","12.575","0.005","119.27","0.03","96.56","0.03","103.23","0.04","1172.1","1.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O2 -","- C28 H28 N2 Ni O2 -","- C56 H56 N4 Ni2 O4 -","2","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.044","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003411","11.6125","0.0009","12.6271","0.0012","16.45","0.0014","86.415","0.007","87.307","0.007","63.307","0.007","2150.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido- closo-1,2-telluracupraoctahydrododecaborane","","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C74 H84 B20 Cl4 Cu4 P4 Te2 -","2","1","AB1219","Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R.","{<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","5","840","843","10.1107/S0108270194010917","","","0.71069","MoKα","","0.0546","0.0482","","0.1324","0.1267","","","","1.029","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003412","13.0681","0.0005","6.1093","0.0002","9.7006","0.0003","79.535","0.002","107.879","0.002","93.968","0.002","724.73","0.04","292","","","","","","","","","","","2","P -1","-P 1","2","","endo-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","1","AB1249","Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F.","<i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","Acta Crystallographica Section C","1995","51","5","952","954","10.1107/S0108270195000771","","","1.5418","CuKα","","","0.07","","","0.087","","","","","0.8245","0.8245","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003413","8.382","0.003","14.457","0.004","4.868","0.003","94.84","0.04","104.31","0.04","77.68","0.02","558.1","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","AS1131","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","A 1,2-Dihydrodipyrido[1,2-<i>b</i>:3',2'-<i>d</i>]pyrazol-2-one","Acta Crystallographica Section C","1995","51","5","942","944","10.1107/S0108270194012977","","","0.71069","MoKα","","","0.046","","","0.054","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003414","9.593","0.003","15.915","0.002","11.427","0.002","90","","113.89","0.013","90","","1595.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1,2-diethoxycarbonylethyl] bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III)","","- C29 H40 Co N4 O8 P -","- C29 H40 Co N4 O8 P -","- C58 H80 Co2 N8 O16 P2 -","2","1","AS1134","Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)","Acta Crystallographica Section C","1995","51","5","828","831","10.1107/S0108270194012564","","","0.71073","MoKα","","0.08","0.044","","0.111","0.098","","","","1.028","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003415","13.6382","0.0005","13.9275","0.0008","7.7297","0.0004","90","","90","","90","","1468.23","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diisopropyl(o-methylphenyl)glyoxylamide","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.055","","","0.067","","","","","8.69","8.69","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003416","15.438","0.002","15.343","0.002","12.685","0.001","90","","90","","90","","3004.6","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-diisopropyl(p-methylphenyl)glyoxylamide","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.081","","","0.074","","","","","6.3","6.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003417","16.3","0.008","6.331","0.002","7.461","0.002","90","","95.31","0.05","90","","766.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.061","","","0.062","","","","","9.73","9.73","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003418","14.369","0.001","13.5367","0.0007","8.2496","0.0007","90","","102.33","0.009","90","","1567.6","0.2","298","","","","","","","","","","slow evaporation from benzene solution","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C64 H56 Cl4 N4 O12 S4 -","4","1","AS1137","Shiraga, T.; Iwamoto, T.; Kashino, S.","<i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S","Acta Crystallographica Section C","1995","51","5","976","978","10.1107/S010827019401200X","","","1.54178","CuKα","","","0.047","","","0.06","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003419","7.964","0.001","8.859","0.001","13.229","0.002","86.34","0.01","73.71","0.01","88.25","0.01","894","0.2","293","","","","","","","","","","Synthesized","4","P -1","-P 1","2","","N-{3-(3,4-Dimethylphenyl)propyl}-4-hydroxy-3-methoxyphenylactamide","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","AS1152","Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B.","KR-25003, a Potent Analgesic Capsaicinoid","Acta Crystallographica Section C","1995","51","5","927","929","10.1107/S0108270194013879","","","1.5418","CuKα","","0.049","0.047","","0.049","0.048","","","","0.526","0.537","0.537","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003420","7.652","0.002","9.716","0.002","11.757","0.003","94.66","0.03","98.25","0.04","104.17","0.04","832.5","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 Fe2 -","- C23 H20 Fe2 -","- C46 H40 Fe4 -","2","1","BK1059","Trnka, T. M.; Kerber, R. C.","An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene","Acta Crystallographica Section C","1995","51","5","871","873","10.1107/S0108270194012230","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003421","8.649","0.001","10.794","0.001","15.936","0.002","90","","90","","90","","1487.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","BK1064","Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A.","An Intramolecular Diels‒Alder Adduct in the Hydroxy-β-ionone Series","Acta Crystallographica Section C","1995","51","5","995","997","10.1107/S0108270194011972","","","0.71073","MoKα","","","0.0516","","","0.053","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003422","7.265","0.002","7.557","0.002","21.91","0.007","90","","90","","90","","1202.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(imidazol-2-yl)aminomethane tris(hydrochloride)","","- C7 H12 Cl3 N5 -","- C7 H12 Cl3 N5 -","- C28 H48 Cl12 N20 -","4","1","BK1097","Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J.","Bis(2-imidazolyl)aminomethane Tris(hydrochloride)","Acta Crystallographica Section C","1995","51","5","918","920","10.1107/S010827019401320X","","","0.71073","MoKα","","0.076","0.041","","0.057","0.052","","","","1.611","1.826","1.826","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003423","7.939","0.006","17.82","0.02","8.734","0.009","90","","94.51","0.08","90","","1232","2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3,5-dimethylpyrazolylphosphinato)copper(II)","","- C20 H28 Cu N8 O4 P2 -","- C20 H28 Cu N8 O4 P2 -","- C40 H56 Cu2 N16 O8 P4 -","2","0.5","BK1100","Folkert, S.; Bryan, C. D.; Cordes, A. W.; Tharmaraj, P.; Chandrasekhar, V.","Bis[bis(3,5-dimethyl-1-pyrazolyl)phosphinato]copper(II), [Cu{O~2~P(N~2~C~3~HMe~2~)~2~}~2~]","Acta Crystallographica Section C","1995","51","5","863","865","10.1107/S0108270194013260","","","0.7107","MoKα","","0.053","0.033","","0.059","0.053","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003424","12.313","0.001","15.335","0.002","16.616","0.002","90","","90","","90","","3137.4","0.6","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrapyridinodiiodocopper(II)zinc(II) pyridine","","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C120 H120 Cu3.68 I8 N24 Zn0.32 -","4","0.25","BR1084","Durand, P. B.; Holt, E. M.","Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine","Acta Crystallographica Section C","1995","51","5","850","852","10.1107/S0108270194009285","","","0.71073","MoKα","","","0.0316","","","0.0394","","","","","0.98","0.98","","","","","has coordinates,has disorder","206082","2020-10-21","18:00:00",""
"2003425","13.755","0.002","24.817","0.003","9.101","0.002","90","","90","","90","","3106.7","0.9","294","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cholesteryl-4-vinylbenzoate","","- C36 H52 O2 -","- C36 H52 O2 -","- C144 H208 O8 -","4","1","CR1099","Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-Vinylbenzoate","Acta Crystallographica Section C","1995","51","5","888","891","10.1107/S0108270194008541","","","0.71073","Mo_Kα","","","0.071","","","0.064","","","","","1.912","1.912","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003426","6.6946","0.0002","7.0268","0.0001","8.3216","0.0004","90","","107.21","0.03","90","","373.93","0.06","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","0.5","CR1126","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. I. <i>trans</i>-1,4-Cyclohexanedicarbonitrile","Acta Crystallographica Section C","1995","51","5","1020","1023","10.1107/S0108270194010991","","","0.7093","MoKα","","","0.04","","","0.039","","","","","2.19","2.19","","","","","has coordinates","278309","2022-10-03","09:59:32",""
"2003427","11.92","0.008","6.885","0.005","6.457","0.003","90","","112.14","0.05","90","","490.8","0.6","295","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Br2 N2 -","- C8 H8 Br2 N2 -","- C16 H16 Br4 N4 -","2","0.25","CR1127","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. II. <i>trans</i>-1,4-Dibromo-1,4-cyclohexanedicarbonitrile, C~8~H~8~Br~2~N~2~","Acta Crystallographica Section C","1995","51","5","1023","1026","10.1107/S010827019401098X","","","0.7093","MoKα","","","0.037","","","0.037","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003428","14.589","0.003","13.384","0.003","8.158","0.003","90","","91.65","0.03","90","","1592.3","0.8","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.047","","","0.058","","","","","1.347","1.347","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003429","8.371","0.003","11.807","0.004","16.704","0.008","90","","103.49","0.03","90","","1605.4","1.1","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.042","","","0.056","","","","","1.431","1.431","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003430","12.286","0.003","12.286","0.003","45.744","0.002","90","","90","","90","","6905","2","222","","","","","","","","","","natural product","4","P 43 21 2","P 4nw 2abw","","","","","- C68 H106 Na2 O16 -","- C68 H106 Na2 O16 -","- C272 H424 Na8 O64 -","4","0.5","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","1.54184","CuKα","","","0.055","","","0.079","","","","","1.763","1.763","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2003431","12.9","0.01","17.2","0.02","17.9","0.04","90","","99.79","0.06","90","","3914","10","218","","","","","","","","","","natural product","4","P 1 21 1","","","","","","- C38 H63 Na O9 -","- C40 H58 Na O9 -","- C160 H232 Na4 O36 -","4","2","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","0.71073","MoKα","","","0.044","","","0.06","","","","","1.857","1.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003432","9.4029","0.0006","13.6474","0.001","13.1142","0.001","90","","107.806","0.006","90","","1602.3","0.2","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl6 -","- C15 H14 Cl6 -","- C60 H56 Cl24 -","4","1","CR1147","Garcia, J. G.; Fronczek, F. R.","<i>endo</i>-1,10,11,12,13,13-Hexachlorotricyclo[8.2.1.0^2,9^]trideca-11-ene","Acta Crystallographica Section C","1995","51","5","987","989","10.1107/S0108270194011479","","","1.54184","CuKα","","","0.056","","","0.08","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003433","9.4675","0.0012","10.1833","0.0013","8.2964","0.001","112.383","0.004","106.408","0.005","91.788","0.004","700.74","0.16","294","","","","","","","","","","","5","P -1","-P 1","2","","1-benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C26 H26 N6 O8 S2 -","2","1","CR1152","Saadeh, H.; Thompson, C. M.; Fernandez, E.; Pavkovic, S. F.","1-Benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","Acta Crystallographica Section C","1995","51","5","950","952","10.1107/S0108270194013430","","","0.7107","MoKα","","","0.04","","","0.047","","","","","1.175","1.175","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003434","13.588","0.002","8.286","0.001","14.683","0.002","90","","110.51","0.01","90","","1548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","JM216","Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV)","","- C10 H22 Cl2 N2 O4 Pt -","- C10 H22 Cl2 N2 O4 Pt -","- C40 H88 Cl8 N8 O16 Pt4 -","4","1","CR1156","Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.","Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug","Acta Crystallographica Section C","1995","51","5","822","824","10.1107/S0108270194013600","","","1.54051","CuKα","","0.0417","0.037","","0.1147","0.111","","","","0.971","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003435","6.025","0.004","7.566","0.004","9.588","0.005","90","","101.64","0.04","90","","428.1","0.4","293","","","","","","","","","","M\'ethanol","4","P 1 c 1","P -2yc","7","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","DU1031","Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A.","2-Acrylamido-2-hydroxymethylpropan-1,3-diol","Acta Crystallographica Section C","1995","51","5","974","976","10.1107/S0108270194000636","","","1.5418","CuKα","","","0.031","","","0.031","","","","","0.21","0.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003436","9.1937","0.0007","11.121","0.001","20.014","0.001","90","","90","","90","","2046.3","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ce Mo8 O14 -","- Ce Mo8 O14 -","- Ce8 Mo64 O112 -","8","1","DU1086","Kerihuel, G.; Gougeon, P.","CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","5","787","790","10.1107/S0108270194010681","","","0.71073","MoKα","","","0.04","","","0.042","","","","","1.582","1.582","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003439","9.012","0.001","9.012","0.001","8.027","0.001","90","","90","","120","","564.58","0.11","293","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- K3 Nb3 O13 Si2 -","- K3 Nb3 O13 Si2 -","- K6 Nb6 O26 Si4 -","2","0.166667","DU1095","Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M.","Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~","Acta Crystallographica Section C","1995","51","5","794","796","10.1107/S0108270194012114","","","0.71073","MoKα","","","0.045","","","0.061","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003440","5.656","0.001","9.066","0.001","10.42","0.001","109.694","0.01","103.062","0.01","90.688","0.01","487.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C14 H24 N2 O10 P2 -","2","1","DU1096","Ould Abdellahi, M.; Jouini, T.","<i>o</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","922","923","10.1107/S0108270194010668","","","0.712","MoKα","","0.0481","0.0408","","0.1644","0.1449","","","","0.253","0.239","0.239","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003441","16.095","0.001","8.49","0.001","16.907","0.0001","90","0.01","116.104","0.001","90","0.01","2074.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","m-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C56 H96 N8 O40 P8 -","8","2","DU1098","Ould Abdellahi, M.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","924","926","10.1107/S0108270194011558","","","0.71069","MoKα","","0.0727","0.0484","","0.1064","0.1013","","","","1.282","1.42","1.42","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003442","7.932","0.002","7.321","0.002","10.403","0.003","90","","106.93","0.03","90","","577.9","0.3","293","1","","","","","","","","","recrystallization of the commercial product","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 N2 O6 S -","- H8 N2 O6 S -","- H32 N8 O24 S4 -","4","1","DU1099","Mirceva, A.; Golic, L.","Hydroxylammonium Sulfate","Acta Crystallographica Section C","1995","51","5","798","800","10.1107/S0108270194013351","","","0.71069","MoKα","","","0.026","","","0.026","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003443","9.3781","0.0005","8.2216","0.0006","13.5971","0.0006","90","","104.903","0.004","90","","1013.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","para-Anisidinium Dihydrogénophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C28 H48 N4 O20 P4 -","4","1","DU1105","Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.","<i>p</i>-Anisidinium Dihydrogénophosphate","Acta Crystallographica Section C","1995","51","5","933","935","10.1107/S0108270194014289","","","0.71069","MoKα","","0.0441","0.0394","","0.106","0.1033","","","","1.13","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003444","13.428","0.002","11.78","0.002","12.318","0.002","90","","115.4","0.01","90","","1760.1","0.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 Mn N2 O3 -","- C16 H14 Cl3 Mn N2 O3 -","- C64 H56 Cl12 Mn4 N8 O12 -","4","1","FG1002","Horwitz, C. P.; Dailey, G. C.; Tham, F. S.","Aquachloro[bis(5-chlorosalicylidene)ethylenediaminato]manganese(III)","Acta Crystallographica Section C","1995","51","5","815","817","10.1107/S0108270194012308","","","0.71069","MoKα","","","0.0311","","","0.0416","","","","","1.0829","1.0829","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003445","14.936","0.004","15.088","0.004","25.727","0.006","90","","92.44","0.02","90","","5792","3","113","","113","","","","","","","","Cram et al. (1987)","4","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene dichloromethane clathrate","","- C65 H66 Cl2 O8 -","- C65 H66 Cl4 O8 -","- C260 H264 Cl16 O32 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.077","0.07","","0.081","0.076","","","","2.81","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003446","14.117","0.006","27.796","0.009","14.845","0.004","90","","94.29","0.03","90","","5809","3","115","","115","","","","","","","","Cram et al. (1987)","3","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene ethanol clathrate","","- C66 H70 O9 -","- C70 H64 O11 -","- C280 H256 O44 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.087","0.082","","0.088","0.085","","","","3.48","3.53","3.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003447","17.088","0.005","19.691","0.006","20.392","0.006","90","","90","","90","","6861","4","115","","115","","","","","","","","Cram et al. (1987)","5","P n a m","-P 2c 2n","62","","Octamethoxy-octamethylnonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1 ^17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39-tetracosaene cesium perchlorate dichloromethane clathrate","","- C65 H66 Cl3 Cs O12 -","- C65 H66 Cl6 Cs O12 -","- C260 H264 Cl24 Cs4 O48 -","4","0.5","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.152","0.091","","0.108","0.079","","","","1.62","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003448","7.924","0.002","11.433","0.003","25.541","0.006","79.12","0.02","83.61","0.02","87.6","0.02","2257.7","1","296","","296","","","","","","","","Cram et al. (1987)","3","P -1","-P 1","2","","41,42,43,44,45,46,47,48-Octamethoxynonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1^ 17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39 -tetracosaene","","- C56 H48 O8 -","- C57 H48 O9 -","- C114 H96 O18 -","2","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.191","0.112","","0.109","0.096","","","","1.21","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003449","19.942","0.003","19.942","0.003","10.294","0.002","90","","90","","90","","4093.8","1.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","(1R*, 2R*, 3R*, 4R*, 7R*)-2,4,7-trimethylcyclohept-5-ene-1,3-diol","","- C10 H18 O2 -","- C10 H18 O2 -","- C160 H288 O32 -","16","1","FG1032","Colucci, J.; Gajda, C.; Lautens, M.; Lough, A. J.","Product of an <i>S</i>~<i>N~</i>2' Ring-Opening Reaction, (1<i>R</i>*,2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,7<i>R</i>*)-2,4,7-Trimethylcyclohept-5-ene-1,3-diol","Acta Crystallographica Section C","1995","51","5","912","914","10.1107/S0108270194011194","","","0.71073","MoKα","","0.1651","0.04","","0.1092","0.0785","","","","1.012","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003450","11.071","0.003","18.283","0.003","6.865","0.004","90","","90","","90","","1389.6","0.9","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-galactotrehalose","α-D-galactopyranosyl α-D-galactopyranoside","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","1","FG1050","Linden, A.; Lee, C. K.","α,α-<i>galacto</i>-Trehalose","Acta Crystallographica Section C","1995","51","5","1012","1016","10.1107/S0108270194014204","","","0.71069","MoKα","","0.0364","0.0315","","0.0311","0.0306","","","","","1.949","1.949","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003451","8","0.004","10.162","0.004","7.198","0.002","107.69","0.03","100.23","0.03","73.48","0.03","531.8","0.4","123","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C24 H28 O6 -","2","1","HA1129","Yufit, D. S.; Kozhushkov, S. I.; de Mejere, A.","<i>trans</i>-2-[(Dispiro[2.0.2.1]hept-7-yl)carbonyl]-3-methyl-β-propiolactone","Acta Crystallographica Section C","1995","51","5","948","950","10.1107/S0108270194012333","","","0.71073","MoKα","","","0.038","","","0.037","","","","","2.78","2.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003452","5.035","0.001","11.684","0.001","21.792","0.003","90","","90.54","0.02","90","","1281.9","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C44 H64 N8 O16 S4 -","4","1","HA1134","MacNicol, D. D.; Mallinson, P. R.","<i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline","Acta Crystallographica Section C","1995","51","5","926","927","10.1107/S0108270194012916","","","0.71069","MoKα","","","0.044","","","0.053","","","","","2.3","2.3","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003453","6.742","0.001","9.005","0.005","15.932","0.002","92.96","0.02","95.78","0.01","94.45","0.02","957.7","0.6","293","2","293","2","","","","","","","Dr K. Horspool, Aston Univ.","5","P -1","-P 1","2","","3-(2-chlorethyl)-3,3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8- carboxylic acid","","- C7 H6 Cl N5 O3 -","- C7 H6 Cl N5 O3 -","- C28 H24 Cl4 N20 O12 -","4","2","HA1135","Lowe, P. R.; Schwalbe, C. H.","8-Acid Derivative of the Antitumour Agent Mitozolomide","Acta Crystallographica Section C","1995","51","5","937","939","10.1107/S0108270194012321","","","0.71069","MoKα","","0.0596","0.0423","","0.1282","0.1238","","","","1.116","1.237","1.237","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003454","13.467","0.001","9.304","0.001","15.752","0.002","90","","109.11","0.01","90","","1864.9","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O7 -","- C16 H22 N4 Ni O7 -","- C64 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.058","","","0.071","","","","","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003455","12.827","0.001","9.416","0.001","15.716","0.001","90","","109.33","0.01","90","","1791.2","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 Ni O7 -","- C14 H22 N4 Ni O7 -","- C56 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.886","1.886","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003456","8.6449","0.001","9.9416","0.001","12.892","0.002","90","","94.96","0.09","90","","1103.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium 4-Sulfonatobenzoic acid dihydrate","","- C7 H9 K O7 S -","- C7 H9 K O7 S -","- C28 H36 K4 O28 S4 -","4","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0583","0.0335","","0.0859","0.0812","","","","1.063","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003457","6.0576","0.001","6.7412","0.001","12.479","0.002","90.278","0.01","95.841","0.01","106.379","0.01","486.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid monohydrate","","- C7 H7 K O6 S -","- C7 H7 K O6 S -","- C14 H14 K2 O12 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0343","0.0304","","0.087","0.085","","","","1.095","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003458","6.3113","0.001","7.5404","0.001","9.8868","0.001","103.832","0.01","99.202","0.01","100.707","0.01","438.5","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid","","- C7 H5 K O5 S -","- C7 H5 K O5 S -","- C14 H10 K2 O10 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0438","0.0299","","0.0849","0.0821","","","","1.07","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003459","6.646","0.003","20.599","0.006","13.458","0.005","90","","90.61","0.05","90","","1842.3","1.2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium 6-Amino-5-(2-carboxyphenyl)azouracil Heptahydrate","","- C11 H22 N5 Na O11 -","- C11 H22 N5 Na O11 -","- C44 H88 N20 Na4 O44 -","4","1","HU1133","Kivekäs, R.; Pajunen, A.; Colacio, E.; Dominquez-Vera, J. M.; Romerosa, A.","Heptahydrated Monosodium Salt of 6-Amino-5-(2-carboxyphenyl)azouracil","Acta Crystallographica Section C","1995","51","5","939","942","10.1107/S0108270194012539","","","0.71073","MoKα","","0.081","0.081","","0.061","0.061","","","","1.421","1.421","1.421","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003460","9.569","0.0001","17.651","0.002","13.485","0.002","90","","94.26","0.02","90","","2271.4","0.4","293","1","293","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","cis,trans-dibromobis(4-methylpyridine) 2,2^'^-bipyridine tungsten(II)","","- C22 H22 Br2 N4 W -","- C22 H22 Br2 N4 W -","- C88 H88 Br8 N16 W4 -","4","1","HU1136","Leban, I.; Brenčič, J. V.; Čeh, B.","<i>cis</i>,<i>trans</i>-(2,2'-Bipyridine-<i>N</i>,<i>N</i>')dibromobis(4-methylpyridine-<i>N</i>)tungsten(II)","Acta Crystallographica Section C","1995","51","5","817","820","10.1107/S0108270194012540","","","0.7093","MoKα","","0.0993","0.0447","","0.1065","0.0893","","","","0.988","1.07","1.07","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003461","10.568","0.004","10.622","0.006","8.545","0.004","106.39","0.04","107.5","0.03","83.38","0.04","877.1","0.8","24","","297","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","2","HU1137","Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J.","Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings","Acta Crystallographica Section C","1995","51","5","914","916","10.1107/S0108270194012552","","","0.71069","MoKα","","","0.0712","","","0.068","","","","","2.245","2.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003462","11.095","0.007","15.692","0.008","15.173","0.007","90","","109.83","0.04","90","","2485","2","295","","","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 Cl4 O5 Ru2 S5 -","- C10 H30 Cl4 O5 Ru2 S5 -","- C40 H120 Cl16 O20 Ru8 S20 -","4","1","JZ1006","Ghosh, P.; Pramanik, A.","Tetrachloropentakis(dimethyl sulfoxide)diruthenium(II)","Acta Crystallographica Section C","1995","51","5","824","825","10.1107/S0108270194012448","","","0.71073","MoKα","","","0.0548","","","0.0631","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003463","8.133","0.002","11.056","0.002","18.658","0.005","102.27","0.02","91.02","0.02","99.77","0.02","1613.1","0.7","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl2 Mn N6 O8.5 -","- C30 H24 Cl2 Mn N6 O13 -","- C60 H48 Cl4 Mn2 N12 O26 -","2","1","JZ1009","Chen, X.-M.; Wang, R.-Q.; Xu, Z.-T.","Tris(2,2'-bipyridine)manganese(II) Perchlorate Hemihydrate","Acta Crystallographica Section C","1995","51","5","820","822","10.1107/S0108270194012242","","","0.71073","MoKα","","","0.0583","","","0.0736","","","","","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003464","13.457","0.001","14.082","0.002","18.845","0.001","90","","105.86","0.01","90","","3435.2","0.6","127","2","127","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratoanganese(III)","","- C36 H44 Cl Mn N4 O4 -","- C36 H44 Cl Mn N4 O4 -","- C144 H176 Cl4 Mn4 N16 O16 -","4","1","JZ1011","Cheng, B.; Scheidt, W. R.","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III)","Acta Crystallographica Section C","1995","51","5","825","828","10.1107/S0108270194013181","","","0.71073","MoKα","","0.0612","0.0463","","0.117","0.109","","","","1.067","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003465","7.834","0.002","10.052","0.001","10.467","0.001","82.818","0.008","68.423","0.008","75.53","0.02","741.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","","- C11 H14 Cl2 F4 N2 O Os -","- C11 H14 Cl2 F4 N2 O Os -","- C22 H28 Cl4 F8 N4 O2 Os2 -","2","1","JZ1020","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>trans</i>-Dichlorotetrafluoroosmate(IV) Hydrate, <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsF~4~Cl~2~].H~2~O","Acta Crystallographica Section C","1995","51","5","865","867","10.1107/S0108270194011960","","","0.71069","MoKα","","0.0366","0.0202","","0.0611","0.0484","","","","1.143","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003466","24.166","0.003","8.903","0.003","11.84","0.003","90","","95.074","0.003","90","","2537.4","1.1","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-N'-[1,1'-ditiobis(phenylene)]bis(5'-metoxy-salicylideneimine)","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C112 H96 N8 O16 S8 -","4","0.5","KA1077","Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X.","4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol","Acta Crystallographica Section C","1995","51","5","1016","1018","10.1107/S0108270194008760","","","0.71073","MoKα","","","0.039","","","0.065","","","","","0.879","0.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003467","9.976","0.004","29.601","0.006","14.189","0.005","90","","107.74","0.02","90","","3991","2","223","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 N3 O2 P2 Re S3 -","- C40 H35 N3 O2 P2 Re S3 -","- C160 H140 N12 O8 P8 Re4 S12 -","4","1","KA1086","Hübener, R.; Abram, U.; Strähle, J.","<i>trans</i>-Hydroxotris(isothiocyanato)bis(triphenylphosphine)rhenium(IV) Methanol Solvate","Acta Crystallographica Section C","1995","51","5","876","878","10.1107/S0108270194008498","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.286","1.286","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003468","8.478","0.003","8.386","0.003","16.719","0.007","90","","92.73","0.03","90","","1187.3","0.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","KA1096","Sudha, L.; Subramanian, K.; Sivaraman, J.; Ramakrishnan, V. T.; Steiner, Th.; Koellner, G.","5-(Isopropylamino)-8-methyl-2-quinolone","Acta Crystallographica Section C","1995","51","5","1026","1028","10.1107/S0108270194012813","","","1.54184","CuKα","","","0.0747","","","0.089","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003469","17.721","0.002","19.714","0.002","10.49","0.001","90","","90","","90","","3664.7","0.7","293","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan","","- C17 H30 O Si2 -","- C17 H30 O Si2 -","- C136 H240 O8 Si16 -","8","1","KA1100","Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.","<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K","Acta Crystallographica Section C","1995","51","5","891","892","10.1107/S0108270194012576","","","0.71073","MoKα","","0.0464","0.0361","","0.0927","0.0842","","","","1.068","1.063","1.063","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003470","7.275","0.003","7.711","0.0007","14.293","0.001","90.152","0.007","98.77","0.01","100.49","0.02","778.8","0.3","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu N5 O2 S -","- C12 H19 Cu N5 O2 S -","- C24 H38 Cu2 N10 O4 S2 -","2","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.064","","","0.099","","","","","2.37","2.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003471","8.099","0.002","10.638","0.002","19.87","0.002","90","","92.7","0.02","90","","1710","0.6","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cu N5 O2 S -","- C14 H23 Cu N5 O2 S -","- C56 H92 Cu4 N20 O8 S4 -","4","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.031","","","0.05","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003472","8.106","0.002","20.135","0.004","10.399","0.002","90","","102.77","0.03","90","","1655.3","0.6","293","","","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl8 Hg4 N4 O4 -","- C16 H36 Cl8 Hg4 N4 O4 -","- C32 H72 Cl16 Hg8 N8 O8 -","2","0.5","KH1002","Wu, D.-D.; Mak, T. C. W.","Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]","Acta Crystallographica Section C","1995","51","5","857","859","10.1107/S0108270194012345","","","0.71073","MoKα","","","0.063","","","0.074","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003473","8.532","0.001","14.946","0.001","12.022","0.001","90","","95.24","0.01","90","","1526.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 1,2,4,5-tetrahydro-3H,6H,10H-1-benzopyrano[9,9a,1-gh]quinolizin- 10-one-9-oate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","KH1015","Yip, B.-C.; Fun, H.-K.; Sivakumar, K.; Zhou, Z.-Y.; Shawkataly, O. B.; Teoh, S.-G.","Coumarin 314","Acta Crystallographica Section C","1995","51","5","956","958","10.1107/S010827019401317X","","","0.71073","MoKα","","0.072","0.0432","","0.1322","0.1228","","","","0.98","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003474","15.273","0.001","15.273","0.001","27.399","0.003","90","","90","","120","","5535","0.8","293","2","150","1","","","","","","","Crystals were grown from ethyl acetate","5","P 65","P 65","170","","Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside","","- C38 H42 N4 O6 Si -","- C38 H42 N4 O6 Si -","- C228 H252 N24 O36 Si6 -","6","1","LI1129","Barnes, J. C.; Field, R. A.","Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","5","1018","1020","10.1107/S0108270194012138","","","0.71069","MoKα","","0.0701","0.04","","0.1141","0.0919","","","","0.562","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003475","14.904","0.004","12.434","0.002","8.645","0.003","90","","93.12","0.02","90","","1599.7","0.7","293","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H10 Fe N2 Na O10 -","- C14 H10 Fe N2 Na O10 -","- C56 H40 Fe4 N8 Na4 O40 -","4","1","MU1094","Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N.","Sodium Bis(dipicolinato)ferrate(III) Dihydrate","Acta Crystallographica Section C","1995","51","5","838","840","10.1107/S0108270194005561","","","0.71073","MoKα","","","0.0306","","","0.0343","","","","","1.08","1.08","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003476","10.32","0.008","16.094","0.007","9.546","0.004","105.3","0.04","91.66","0.05","83.68","0.05","1520","1.5","296","","","","","","","","","","recrystallized from ethanol","7","P -1","-P 1","2","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C27 H21 F6 N2 Ni O4 S3 -","- C54 H42 F12 N4 Ni2 O8 S6 -","2","1","MU1115","Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y.","Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)","Acta Crystallographica Section C","1995","51","5","835","837","10.1107/S0108270194011935","","","0.71069","MoKα","","","0.058","","","0.068","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003477","19.951","0.006","7.17","0.002","19.761","0.008","90","","90","","90","","2826.8","1.6","291","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C12 H18 Br N3 O Zn -","- C12 H18 Br N3 O Zn -","- C96 H144 Br8 N24 O8 Zn8 -","8","1","MU1129","Haber, V.; Fábry, J.; Petříček, V.","A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II)","Acta Crystallographica Section C","1995","51","5","884","887","10.1107/S010827019401245X","","","0.56087","AgKα(Pdfilter)","","","","","","0.0777","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003478","15.75","0.003","6.112","0.002","13.704","0.003","90","","105.98","0.03","90","","1268.2","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetramethyl-2,4,6,8(1H,3H,5H,7H)-pyrimido[4,5-g]pteridinetetrone","","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","- C48 H48 N24 O16 -","4","0.5","MU1130","Romerosa, A.; Colacio, E.; Suárez-Varela, J.; Avila-Rosón, J. C.; Hidalgo, M. A.; Romero-Garzón, J.","Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1<i>H</i>,3<i>H</i>,6<i>H</i>,8<i>H</i>)-pyrimido[4,5-<i>g</i>]pteridinetetrone","Acta Crystallographica Section C","1995","51","5","1005","1007","10.1107/S0108270194009595","","","0.71069","MoKα","","0.2251","0.0482","","0.169","0.0526","","","","","2.3091","2.3091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003479","7.349","0.003","7.535","0.003","14.539","0.005","90","","90","","90","","805.1","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","potassium D-3-phosphoglycerate","","- C3 H6 K O7 P -","- C3 H6 K O7 P -","- C12 H24 K4 O28 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","0.0313","0.0264","","0.0726","0.0703","","","","1.123","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003480","11.332","0.006","22.406","0.011","5.783","0.003","90","","90","","90","","1468.3","1.3","","","85","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Cyclohexylammonium D-3-phosphoglycerate monohydrate","","- C9 H22 N O8 P -","- C9 H22 N O8 P -","- C36 H88 N4 O32 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","","0.0433","","","0.1037","","","","","1.061","1.061","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003481","15.369","0.004","14.399","0.007","13.772","0.003","90","","90.88","0.07","90","","3047.4","1.8","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine) -divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O","","- C27 H33 I N6 O7 V2 -","- C27 H33 I N6 O7 V2 -","- C108 H132 I4 N24 O28 V8 -","4","1","MU1137","Neves, A.; Vencato, I.; Hörner, M.; Fenner, H.","μ-[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl-1κ<i>N</i>)-<i>N</i>',<i>N</i>'-bis(2-pyridylmethyl-2κ<i>N</i>)-1,3-diaminopropan-2-olato]-1κ<i>N</i>,2κ<i>N</i>',1:2κ^2^<i>O</i>-bis(dioxovanadium)(1+) Iodide Dihydrate, [(VO~2~)~2~(TPHPN)]I.2H~2~O","Acta Crystallographica Section C","1995","51","5","809","811","10.1107/S0108270194009066","","","0.71073","MoKα","","","0.0424","","","0.0516","","","","","2.7","2.7","","","","","has coordinates","206184","2020-10-21","18:00:00",""
"2003482","7.296","0.004","7.451","0.003","9.333","0.004","87.77","0.05","79.45","0.05","82.03","0.04","493.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tripotassium phosphoglycolate dihydrate","","- C2 H6 K3 O8 P -","- C2 H6 K3 O8 P -","- C4 H12 K6 O16 P2 -","2","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0263","","","0.0665","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003483","22.512","0.009","19.613","0.009","6.201","0.003","90","","90","","90","","2738","2","","","85","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tris(cyclohexylammonium) phosphoglycolate trihydrate","","- C20 H50 N3 O9 P -","- C20 H50 N3 O9 P -","- C80 H200 N12 O36 P4 -","4","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0431","","","0.1157","","","","","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003484","7.595","0.005","10.146","0.006","15.005","0.01","77.28","0.05","75.93","0.05","69.39","0.05","1038.2","1.2","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Mn N2 O6 -","- C23 H21 Mn N2 O6 -","- C46 H42 Mn2 N4 O12 -","2","1","MU1150","Dutta, S.; Manivannan, V.; Giri Babu, L.; Pal, S.","A Mononuclear Manganese(III) Schiff Base Complex, [Mn(C~14~H~10~N~2~O~2~)(C~8~H~7~O~3~)(CH~4~O)]","Acta Crystallographica Section C","1995","51","5","813","815","10.1107/S0108270194012151","","","0.71073","MoKα","","","0.047","","","0.0595","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003485","9.3055","0.0006","8.4118","0.0006","12.3965","0.0007","90","","98.731","0.007","90","","959.1","0.11","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C28 H36 N12 O12 S4 -","4","1","MU1153","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide Monohydrate","Acta Crystallographica Section C","1995","51","5","946","948","10.1107/S0108270194013235","","","1.5418","CuKα","","0.0394","0.0375","","0.102","0.1012","","","","1.089","1.125","1.125","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003486","13.899","0.002","12.156","0.002","15.781","0.003","90","","105.84","0.02","90","","2565.1","0.8","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Zn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Zn(II) cis-dipyridine adduct","","- C26 H22 N4 O6 Zn -","- C26 H22 N4 O6 Zn -","- C104 H88 N16 O24 Zn4 -","4","0.5","MU1155","Falvello, L. R.; Hicke, S.; Mueller, T. E.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II)","Acta Crystallographica Section C","1995","51","5","859","861","10.1107/S010827019401293X","","","0.71073","MoKα","","0.0749","0.0386","","0.0818","0.0708","","","","1.065","1.101","1.101","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003487","8.186","0.001","11.107","0.001","11.515","0.002","80.28","0.01","76.36","0.03","68.73","0.01","944.1","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N12 Ni -","- C40 H40 N12 Ni -","- C40 H40 N12 Ni -","1","0.5","NA1102","Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.","The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~","Acta Crystallographica Section C","1995","51","5","873","876","10.1107/S0108270194010401","","","0.71069","MoKα","","","0.042","","","0.042","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003488","12.719","0.002","12.906","0.002","16.93","0.003","68.2","0.02","68.23","0.02","64.08","0.02","2247.2","0.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Cl3 N4 Rh Sn -","- C44 H28 Cl3 N4 Rh Sn -","- C88 H56 Cl6 N8 Rh2 Sn2 -","2","1","NA1113","Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A.","Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond","Acta Crystallographica Section C","1995","51","5","833","835","10.1107/S0108270194012424","","","0.71073","MoKα","","","0.057","","","0.08","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003489","17.842","0.003","5.489","0.001","20.045","0.002","90","","105.18","0.01","90","","1894.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Aqua)(glicinato)(3,4,7,8-tetramethyl-1,10-phenanthroline) copper(II)] nitrate.","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C72 H88 Cu4 N16 O24 -","4","1","NA1125","Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G.","Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","5","852","854","10.1107/S0108270194013041","","","0.71069","MoKα","","0.0467","0.0406","","0.0973","0.0918","","","","1.253","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003490","12.995","0.001","7.161","0.001","16.187","0.001","90","","112.37","0.01","90","","1393","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","NA1127","Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B.","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","Acta Crystallographica Section C","1995","51","5","958","960","10.1107/S010827019401228X","","","1.5418","CuKα","","0.0348","0.0337","","0.1024","0.0968","","","","1.117","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003491","25.601","0.003","8.3508","0.0014","6.8213","0.001","90","","90","","90","","1458.3","0.4","122","2","122","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(R,S)-1-phenylethylammonium (R,S)-mandelate","(R,S)-1-Phenylethylammonium (R,S)-2-hydroxy-2-phenylethanoate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","NA1135","Lopez de Diego, H.","(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate","Acta Crystallographica Section C","1995","51","5","935","937","10.1107/S010827019401303X","","","1.5418","CuKα","","0.0304","0.0288","","0.0764","0.0749","","","","1.053","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003492","8.217","0.007","31.54","0.01","10.384","0.004","90","","98.09","0.04","90","","2664","3","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/n 1","-P 2yn","14","","N-[2-(3-Methoxyphenoxy)propyl]-m-tolylacetamidinium p-Toluenesulfonate Monohydrate","","- C26 H34 N2 O6 S -","- C33 H41 N2 O6 S -","- C132 H164 N8 O24 S4 -","4","1","NA1140","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","<i>N</i>-[2-(3-Methoxyphenoxy)propyl]-<i>m</i>-tolylacetamidinium <i>p</i>-Toluenesulfonate Monohydrate (Xylamidine)","Acta Crystallographica Section C","1995","51","5","991","993","10.1107/S0108270194013818","","","1.54184","CuKα","","0.0775","0.0511","","0.1575","0.1389","","","","1.08","1.078","1.078","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003493","10.1429","0.0002","10.1429","0.0002","10.1429","0.0002","90","","90","","90","","1043.49","0.04","295","","","","","","","","","","Powder","3","F d 3 m","F 4d 2 3 -1d","","","","","- O7 Ru2 Y2 -","- O16 Ru Y -","- O128 Ru8 Y8 -","8","","OH1070","Kennedy, B. J.","Structure Refinement of Y~2~Ru~2~O~7~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1995","51","5","790","792","10.1107/S0108270194013168","","neutron","","neutron","","","0.0602","","","0.0794","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003494","11.049","0.004","18.659","0.006","11.602","0.004","90","","117.08","0.02","90","","2129.7","1.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidocrotonate","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.051","","","0.07","","","","","0.67","0.67","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003495","22.41","0.03","20.76","0.02","9.195","0.006","90","","90","","90","","4278","8","293","","293","","","","","","","","from chemical synthesis","4","P c c n","-P 2ab 2ac","56","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidobutanoate","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.05","1.05","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003496","9.791","0.002","18.974","0.003","10.358","0.002","90","","117.51","0.02","90","","1706.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","PA1057","Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F.","<i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1995","51","5","993","995","10.1107/S0108270193014118","","","1.54178","CuKα","","","0.059","","","0.066","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003497","14.29","0.003","13.571","0.002","27.314","0.008","90","","90","","90","","5297","2","296","","","","","","","","","","from acetone","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Nb O5 P2 W -","- C25 H27 Nb O5 P2 W -","- C200 H216 Nb8 O40 P16 W8 -","8","1","PA1107","Oudet, P.; Kubicki, M. M.; Moise, C.","Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten","Acta Crystallographica Section C","1995","51","5","811","813","10.1107/S0108270194007262","","","0.71073","MoKα","","","0.043","","","0.051","","","","","2.22","2.22","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2003498","8.955","0.005","11.085","0.003","17.45","0.005","83.9","0.02","78.8","0.01","85.3","0.02","1686.2","1.2","293","","293","","","","","","","","","4","P -1","-P 1","2","Sel de maprotiline","N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium","","- C41 H47 N2 O2.5 -","- C41 H47 N2 O2.5 -","- C82 H94 N4 O5 -","2","1","PA1112","Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.","Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O","Acta Crystallographica Section C","1995","51","5","970","974","10.1107/S0108270194006049","","","0.7019","MoKα","","0.041","0.041","","0.042","0.042","","","","1.01","1.01","1.01","","","","","has coordinates","190530","2020-10-21","18:00:00",""
"2003499","18.169","0.003","10.932","0.003","16.12","0.003","90","","117.17","0.02","90","","2848.5","1.2","293","","","","","","","","","","\'evaporation d'une solution m\'ethanolique","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 N5 O Pt S -","- C6 H17 Cl2 N5 O Pt S -","- C48 H136 Cl16 N40 O8 Pt8 S8 -","8","1","PA1121","Viossat, B.; Nguyen-Huy Dung; Rodier, N.; Bentefrit, F.","Chlorure de <i>cis</i>-Chloro(diméthyl sulfoxyde)(metformine)platine(II)","Acta Crystallographica Section C","1995","51","5","878","880","10.1107/S0108270194009674","","","0.7107","MoKα","","","0.032","","","0.038","","","","","1.2","1.2","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2003500","8.174","0.001","7.228","0.001","36.114","0.003","90","","86.96","0.01","90","","2130.7","0.4","293","","","","","","","","","","from ethanol/nitromethane (20/80 v/v)","5","C 1 c 1","C -2yc","9","","","","- C21 H35 Cl N2 O -","- C21 H35 Cl N2 O -","- C84 H140 Cl4 N8 O4 -","4","1","PA1122","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride","Acta Crystallographica Section C","1995","51","5","893","894","10.1107/S0108270194011273","","","1.5418","CuKα","","","0.0463","","","0.0541","","","","","1.725","1.725","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003501","17.154","0.002","5.748","0.001","17.657","0.002","90","","111.96","0.01","90","","1614.7","0.4","291","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","PA1134","Tinant, B.; Declercq, J.-P.; Abdellaoui, H.; Depreux, P.; Lesieur, D.","<i>N</i>,<i>N</i>-Dimethyl-2-[7-(methylaminosulfonylmethyl)-1-naphthyl]ethylamine, the Naphthalenic Bioisostere of Sumatriptan","Acta Crystallographica Section C","1995","51","5","916","918","10.1107/S0108270194011601","","","1.54184","CuKα","","","0.042","","","0.05","","","","","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003502","8.261","0.004","8.847","0.004","17.807","0.007","95.19","0.03","95.14","0.03","113.9","0.04","1173.5","1","292","","","","","","","","","","\'evaporation d'une solution dans l'\'ethanol","5","P -1","-P 1","2","","","","- C21 H40 Br N O -","- C21 H40 Br N O -","- C42 H80 Br2 N2 O2 -","2","1","PA1146","Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M.","Bromure de Benzododécinium Monohydraté","Acta Crystallographica Section C","1995","51","5","954","956","10.1107/S0108270194014435","","","0.71073","MoKα","","","0.068","","","0.056","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003503","10.207","0.008","26.978","0.012","8.744","0.006","90","","106.96","0.03","90","","2303","3","293","","293","","","","","","","","synth\`ese","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-chlorophényl)-3a-méthyl- 5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] triazolo [4,3-a] [1,5] benzodiazépine","","- C26 H23 Cl N4 O2 -","- C26 H23 Cl N4 O2 -","- C104 H92 Cl4 N16 O8 -","4","1","PA1148","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","Ethyl 3-(4-Chlorophényl)-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate, C~26~H~23~ClN~4~O~2~","Acta Crystallographica Section C","1995","51","5","961","963","10.1107/S0108270194011418","","","1.5418","CuKα","","","0.06","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003504","20.709","0.003","7.777","0.0014","17.276","0.003","90","","143.279","0.005","90","","1663.6","0.5","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","C 1 c 1","C -2yc","9","","3-methyl-4H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","2","PA1150","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","5","944","946","10.1107/S0108270194013569","","","1.5418","CuKα","","0.0274","0.0268","","0.0693","0.0691","","","","1.108","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003505","7.491","0.001","12.188","0.002","15.744","0.003","90","","97.95","0.01","90","","1423.6","0.4","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O7 -","- C31 H44 O7 -","- C62 H88 O14 -","2","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.044","","","0.05","","","","","5.2148","5.2148","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003506","7.709","0.001","18.293","0.002","21.082","0.003","90","","90","","90","","2973","0.7","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.05","","","0.046","","","","","3.8027","3.8027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003507","10.197","0.007","10.623","0.001","20.08","0.003","90","","101.53","0.02","90","","2131.2","1.5","293","2","","","","","","","","","Synthese, Kristallisation aus CH~3~OH","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N9 O7 -","- C19 H21 N9 O7 -","- C76 H84 N36 O28 -","4","1","SH1092","Gzella, A.; Wrzeciono, U.","Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol","Acta Crystallographica Section C","1995","51","5","963","967","10.1107/S0108270194008954","","","1.54178","CuKα","","","0.0889","","","0.0947","","","","","1.8529","1.8529","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003508","9.4","0.001","11.029","0.001","9.153","0.001","96.144","0.009","96.84","0.01","65.235","0.007","853.79","0.16","173","1","173","","","","","","","","see text","3","P 1","P 1","1","α,α-allo-trehalose trihydrate","α-D-allopyranosyl α-D-allopyranoside trihydrate","","- C12 H28 O14 -","- C12 H28 O14 -","- C24 H56 O28 -","2","2","SH1108","Linden, A.; Lee, C. K.","α,α-<i>allo</i>-Trehalose Trihydrate","Acta Crystallographica Section C","1995","51","5","1007","1012","10.1107/S0108270194012102","","","0.71069","MoKα","","0.0285","0.027","","0.0322","0.032","","","","","1.817","1.817","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003509","7.3812","0.0011","8.4422","0.0009","12.42","0.0014","73.243","0.009","81.924","0.011","83.473","0.011","731.53","0.16","293","2","293","2","","","","","","","from methanol","6","P -1","-P 1","2","","Methyl N-(N'-4-chlorophenylaminothiocarbonyl) imidate","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C30 H26 Cl2 N4 O2 S2 -","2","1","TA1022","Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B.","Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate","Acta Crystallographica Section C","1995","51","5","920","922","10.1107/S0108270194011625","","","0.71069","MoKα","","0.0491","0.0382","","0.0869","0.0855","","","","1.302","1.348","1.348","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003510","14.203","0.006","14.203","0.006","22.447","0.004","90","","90","","90","","4528","3","293","2","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H30 Cl2 Co2 N6 O14 -","- C12 H30 Cl2 Co2 N6 O20.5 -","- C96 H240 Cl16 Co16 N48 O164 -","8","0.5","AB1161","Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X.","Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","6","1080","1082","10.1107/S0108270194013387","","","0.7093","MoKα","","","0.051","","","0.047","","","","","4.149","4.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003511","5.978","0.002","4.945","0.002","20.168","0.004","90","","95.8","0.03","90","","593.1","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C26 H18 Br2 O2 S2 -","2","1","AB1178","He, Y.; Wu, Q.; Su, G.","3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)","Acta Crystallographica Section C","1995","51","6","1167","1168","10.1107/S0108270194013843","","","0.71069","MoKα","","","0.046","","","0.052","","","","","1.39","1.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003512","10.731","0.006","18.016","0.006","8.347","0.005","90","","90","","90","","1613.7","1.4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","AB1186","Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.","The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","6","1175","1177","10.1107/S0108270194013855","","","0.71073","MoKα","","","0.052","","","0.15","","","","","0.998","0.998","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003513","9.668","0.002","8.358","0.002","25.582","0.009","90","","98.26","0.03","90","","2045.7","1","289","","","","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N8 Ni O2 -","- C21 H20 N8 Ni O2 -","- C84 H80 N32 Ni4 O8 -","4","1","AB1196","Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q.","Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)","Acta Crystallographica Section C","1995","51","6","1071","1073","10.1107/S0108270194011741","","","0.71073","MoKα","","","0.051","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003514","10.809","0.001","8.4044","0.0009","21.119","0.003","90","","96.63","0.01","90","","1905.7","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cu N8 O8 -","- C15 H22 Cu N8 O8 -","- C60 H88 Cu4 N32 O32 -","4","1","AB1203","Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A.","Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate","Acta Crystallographica Section C","1995","51","6","1087","1089","10.1107/S0108270194013697","","","0.71073","MoKα","","","0.04","","","0.036","","","","","2.064","2.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003515","8.014","0.002","8.633","0.002","12.6","0.003","90","","90.53","0.03","90","","871.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","11,12-seco-12,13-didehydromultiflorine perchlorate hydrate","","- C15 H25 Cl N2 O6 -","- C15 H25.07 Cl N2 O6 -","- C30 H50.14 Cl2 N4 O12 -","2","1","AB1207","Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.","11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate","Acta Crystallographica Section C","1995","51","6","1182","1184","10.1107/S0108270194011650","","","1.54178","CuKα","","0.0577","0.036","","0.1741","0.1069","","","","1.076","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003516","6.116","0.002","16.656","0.004","6.007","0.003","99.29","0.03","100.94","0.03","99.05","0.02","581.7","0.4","243","","","","","","","","","","","5","P 1","P 1","1","","","","- C5 H18 N Na O9 -","- C5 H17.5 N Na O9 -","- C10 H35 N2 Na2 O18 -","2","2","AS1110","Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N.","Monosodium <small>L</small>-Glutamate Pentahydrate","Acta Crystallographica Section C","1995","51","6","1053","1056","10.1107/S0108270194014472","","","1.5418","CuKα","","","0.056","","","0.076","","","","","3.06","3.06","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003517","8.6917","0.0007","11.576","0.001","15.006","0.003","110.1","0.02","103.8","0.01","91.465","0.009","1367.3","0.4","298","3","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 N4 O2 -","- C14 H32 N4 O2 -","- C42 H96 N12 O6 -","3","1.5","AS1126","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","1995","51","6","1146","1148","10.1107/S0108270194011352","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003518","8.96","0.004","11.507","0.006","8.889","0.007","97.29","0.05","97.71","0.05","105.58","0.03","862","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(trans-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.147","0.061","","0.198","0.154","","","","1.015","1.109","1.109","","","","","has coordinates,has disorder","198601","2020-10-21","18:00:00",""
"2003519","9.4915","0.0011","11.5618","0.0014","8.9687","0.0009","98.806","0.009","99.065","0.009","112.364","0.009","874.02","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.123","0.054","","0.159","0.129","","","","1.01","1.129","1.129","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003520","4.653","0.0004","15.191","0.001","26.902","0.002","90","","90","","90","","1901.5","0.2","293","2","293","2","","","","","","","synthesized from CH~2~Cl~2~--benzene system","4","P b c 21","P 2c -2b","29","","10-Hydroxybenzo[h]quinoline","","- C13 H9 N O -","- C13 H9 N O -","- C104 H72 N8 O8 -","8","2","AS1144","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","10-Hydroxybenzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1995","51","6","1173","1175","10.1107/S010827019401379X","","","1.54178","CuKα","","0.0559","0.0383","","0.1128","0.0767","","","","1.213","1.26","1.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003521","15.037","0.003","9.913","0.001","12.547","0.002","90","","91.29","0.01","90","","1869.8","0.5","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C100 H68 Br4 O8 -","4","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.035","","","0.035","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003522","9.165","0.001","13.155","0.001","8.85","0.001","101.58","0.01","116.59","0.01","80.77","0.01","931.69","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-bromo-2,3-dihydro-2,3-(bibenzyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.037","","","0.04","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003523","11.9111","0.001","16.036","0.002","13.1202","0.0009","90","","93.761","0.006","90","","2500.6","0.4","296","","","","","","","","","","Recrystallization fron ethyl acetate-heptane","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O6 P2 -","- C25 H32 O6 P2 -","- C100 H128 O24 P8 -","4","1","BK1023","Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R.","[4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~","Acta Crystallographica Section C","1995","51","6","1177","1179","10.1107/S0108270194011169","","","1.54184","CuKα","","","0.046","","","0.056","","","","","2.762","2.762","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003524","6.418","0.001","15.864","0.003","12.269","0.002","90","","102.38","0.01","90","","1220.1","0.4","296","","","","","","","","","","Prepared by authors","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.0507","","","0.0712","","","","","2.172","2.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003525","12.39","0.001","8.245","0.002","13.732","0.001","90","","121.543","0.009","90","","1195.5","0.3","295","","","","","","","","","","Prepared by authors","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.025","","","0.0332","","","","","1.415","1.415","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2003526","7.123","0.002","11.237","0.002","14.989","0.001","90","","90","","90","","1199.7","0.4","296","","","","","","","","","","Prepared by authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.03","","","0.041","","","","","1.92","1.92","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003527","6.137","0.001","19.405","0.002","7.187","0.001","90","","104.72","0.01","90","","827.8","0.2","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","BK1050","Gallucci, J. C.; Mathur, N.; Shechter, H.","(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione","Acta Crystallographica Section C","1995","51","6","1221","1223","10.1107/S0108270194014137","","","0.71069","MoKα","","","0.041","","","0.046","","","","","1.65","1.65","","","","","has coordinates,has disorder","200210","2020-10-21","18:00:00",""
"2003528","13.256","0.002","8.644","0.003","13.484","0.002","90","","103.23","0.01","90","","1504.1","0.6","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 O6 Ru2 -","- C13 H8 O6 Ru2 -","- C52 H32 O24 Ru8 -","4","1","BK1081","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]","Acta Crystallographica Section C","1995","51","6","1118","1120","10.1107/S0108270194012928","","","0.7107","MoKα","","","0.0368","","","0.0367","","","","","1.962","1.962","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003529","7.146","0.001","8.635","0.003","25.5","0.004","90","","90","","90","","1573.5","0.6","293","2","293","2","","","","","","","crystallized from ethyl alcohol","3","P 21 21 21","P 2ac 2ab","19","","2-cyano-2-methylsparteine","","- C17 H27 N3 -","- C17 H27 N3 -","- C68 H108 N12 -","4","1","BK1085","Wolska, I.; Borowiak, T.","2-Cyano-2-methylsparteine","Acta Crystallographica Section C","1995","51","6","1158","1160","10.1107/S0108270194013740","","","0.71073","MoKα","","0.0739","0.0311","","0.1161","0.0913","","","","1.088","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003530","10.9538","0.0006","11.1908","0.0008","10.77","0.005","90","","111.21","0.16","90","","1230.8","1.5","295","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Pt2 -","- C12 H20 Pt2 -","- C48 H80 Pt8 -","4","0.5","BK1101","Doyle, J. R.; Baenziger, N. C.","μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]","Acta Crystallographica Section C","1995","51","6","1116","1118","10.1107/S0108270194014149","","","0.71073","MoKα(intensities),CuKα~1~andCuKα~2~","","","0.047","","","0.073","","","","","1.24","1.24","","","","","has coordinates","198855","2020-10-21","18:00:00",""
"2003531","7.288","0.001","7.514","0.001","15.441","0.001","90.08","0.01","95.9","0.01","90.45","0.01","841.07","0.17","292","","292","","","","","","","","","4","P -1","-P 1","2","","Barium perrhenate hydrate","","- Ba H2 O9 Re2 -","- Ba H2 O9 Re2 -","- Ba4 H8 O36 Re8 -","4","2","BR1085","Todorov, T.; Macícek, J.","Barium Perrhenate Monohydrate","Acta Crystallographica Section C","1995","51","6","1034","1038","10.1107/S0108270194013909","","","0.71073","MoKα","","0.068","0.053","","0.062","0.062","","","","2.65","2.678","2.678","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003532","8.374","0.002","9.935","0.002","11.139","0.002","87.84","0.02","88.13","0.02","80.61","0.02","913.3","0.3","290","2","","","","","","","","","synthesized, recrystallized from EtOAc","5","P -1","-P 1","2","","","","- C20 H23 Br N2 O2 -","- C20 H23 Br N2 O2 -","- C40 H46 Br2 N4 O4 -","2","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.0379","","","0.0912","","","","","1.05","1.05","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003533","4.514","0.002","24.87","0.01","13.054","0.004","90","","97.41","0.03","90","","1453.2","1","288","","","","","","","","","","synthesized per article, recrystallized from mesi","5","C 1 c 1","C -2yc","9","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.048","","","0.0951","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003534","14.445","0.003","5.767","0.001","28.603","0.005","90","","90.27","0.02","90","","2382.7","0.8","213.9","","213.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenyl Phenoxyformate","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C104 H72 N8 O40 -","8","2","CR1151","Bryant, Jnr, G. L.; King, Jnr, J. A.","2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~","Acta Crystallographica Section C","1995","51","6","1141","1143","10.1107/S0108270194010449","","","1.54178","CopperKα","","0.0902","0.066","","0.1007","0.087","","","","","0.91","0.91","","","","","has coordinates","198396","2020-10-21","18:00:00",""
"2003535","11.796","0.008","7.629","0.004","15.719","0.005","90","","92.65","0.04","90","","1413.1","1.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cr O4 -","- C16 H10 Cr O4 -","- C64 H40 Cr4 O16 -","4","1","CR1157","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","(Benzobicyclooctatriene)tetracarbonylchromium","Acta Crystallographica Section C","1995","51","6","1067","1069","10.1107/S0108270194013417","","","0.71073","MoKα","","","0.043","","","0.039","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003536","9.193","0.009","4.89","0.004","7.162","0.007","90","","90","","90","","322","0.5","233","2","233","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","DU1085","Stachel, D.; Svoboda, I.; Fuess, H.","Phosphorus Pentoxide at 233 K","Acta Crystallographica Section C","1995","51","6","1049","1050","10.1107/S0108270194012126","","","0.71069","MoKα","","0.085","0.039","","0.0946","0.0831","","","","1.04","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003537","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","synthesis (Yoneda, 1976)","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","DU1097","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C","1995","51","6","1223","1227","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003538","22.9337","0.0005","5.8035","0.0006","13.7842","0.0006","90","","106.816","0.004","90","","1756.2","0.2","293","2","293","2","","","","","","","synth\`ese","5","C 1 2/c 1","-C 2yc","15","","Bis(paraphénolammonium) Diphosphate Monohydrate","","- C12 H20 N2 O10 P2 -","- C12 H22 N2 O11 P2 -","- C48 H88 N8 O44 P8 -","4","0.5","DU1100","Soumhi, E. H.; Jouini, T.","Bis(<i>para</i>-phénolammonium) Diphosphate Monohydrate","Acta Crystallographica Section C","1995","51","6","1213","1215","10.1107/S0108270194011546","","","0.71069","MoKα","","0.0545","0.0379","","0.0984","0.0926","","","","1.219","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003539","9.375","0.001","8.019","0.001","11.135","0.002","90","","100.73","0.01","90","","822.5","0.2","299","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ni O11 P4 -","- Ni O11 P4 -","- Ni4 O44 P16 -","4","1","DU1102","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Nickel Ultraphosphate, NiP~4~O~11~","Acta Crystallographica Section C","1995","51","6","1047","1049","10.1107/S0108270194012680","","","0.71069","MoKα","","0.064","0.0265","","0.0683","0.0614","","","","1.026","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003540","13.5737","0.0004","13.5737","0.0004","6.6624","0.0003","90","","90","","120","","1063.06","0.07","293","","","","","","","","","","see text","4","P -3","-P 3","147","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce3 K6 N18 O54 -","3","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003541","12.707","0.004","6.6858","0.0006","8.2535","0.0007","90","","91.547","0.008","90","","700.9","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce2 K4 N12 O36 -","2","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.042","","","0.061","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003542","13.5975","0.0008","13.5975","0.0008","13.5975","0.0008","90","","90","","90","","2514.1","0.3","293","","","","","","","","","","see text","4","P 41 3 2","P 4bd 2ab 3","213","","","","- Ce2 K3 N9 O27 -","- Ce2 K3 N9 O27 -","- Ce8 K12 N36 O108 -","4","0.166667","DU1104","Guillou, N.; Auffrédic, J. P.; Louër, D.","Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~","Acta Crystallographica Section C","1995","51","6","1032","1034","10.1107/S0108270194014939","","","0.71073","MoKα","","","0.044","","","0.055","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003543","10.232","0.003","14.964","0.007","6.826","0.004","93.81","0.04","98.02","0.03","104.37","0.03","997","0.8","295","1","","","","","","","","","natural product crystallized from water","4","P 1","P 1","1","","","","- C18 H29 N O7 -","- C18 H29 N O7 -","- C36 H58 N2 O14 -","2","2","FG1006","Parvez, M.; Benn, M. H.","Senecivernine Dihydrate","Acta Crystallographica Section C","1995","51","6","1202","1204","10.1107/S0108270194012904","","","0.71069","MoKα","","","0.0802","","","0.0804","","","","","3.43","3.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003544","14.739","0.004","9.029","0.001","14.269","0.004","90","","115.95","0.01","90","","1707.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 Cu N8 -","- C12 H16 Br2 Cu N8 -","- C48 H64 Br8 Cu4 N32 -","4","0.5","FG1007","Parker, O. J.; Breneman, G. L.","Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)~4~]Br~2~","Acta Crystallographica Section C","1995","51","6","1097","1099","10.1107/S010827019401139X","","","0.71073","MoKα","","","0.038","","","0.05","","","","","2.09","2.09","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003545","10.9822","0.0022","8.0799","0.0016","15.449","0.003","90","","113.28","0.12","90","","1259.3","1.2","203","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C26 H22 N4 O3 -","- C104 H88 N16 O12 -","4","1","FG1010","Chebli, C.; Brisse, F.","4,4'-Azoxydianisole at 203 K","Acta Crystallographica Section C","1995","51","6","1164","1167","10.1107/S0108270194012023","","","1.54056","CuKα","","","0.052","","","0.059","","","","","2.68","2.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003546","10.434","0.002","13.699","0.002","25.148","0.004","90","","90","","90","","3594.5","1","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 B F3 Mo N7 O3 S -","- C32 H39 B F3 Mo N7 O3 S -","- C128 H156 B4 F12 Mo4 N28 O12 S4 -","4","1","FG1016","Vaughan, W. M.; Bonella, J. M.; Abboud, K. A.","A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)]","Acta Crystallographica Section C","1995","51","6","1075","1078","10.1107/S010827019401231X","","","0.71073","MoKα","","","0.053","","","0.0546","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003547","6.815","0.001","17.967","0.002","6.223","0.001","98.52","0.01","98.69","0.01","84.52","0.01","742.83","0.18","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 Pd S2 -","- C12 H20 Cl2 Pd S2 -","- C24 H40 Cl4 Pd2 S4 -","2","1","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.044","","","0.059","","","","","2.81","2.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003548","7.934","0.003","11.759","0.003","8.256","0.002","90","","94.94","0.01","90","","767.4","0.4","295","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Pt S2 -","- C12 H20 Cl2 Pt S2 -","- C24 H40 Cl4 Pt2 S4 -","2","0.5","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.035","","","0.05","","","","","3.63","3.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003549","7.569","0.001","9.738","0.002","9.503","0.001","90","","96.32","0.01","90","","696.18","0.19","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","[3S,4S,5R-(1β,3β,6α,7α,12aβ)]-hexahydro-1-hydroxy-6,6- dimethyl-3,13a:4,8-diepoxy-3H,6H-dioxolano[4,5-f] pyrimido[6,1-c][1,4]oxazonine-10,12(11H,13H)dione","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C26 H32 N4 O16 -","2","1","FG1041","Groziak, M. P.; Lin, R.; Robinson, P. D.","An Unusual C6-Spiro-Fused Cyclouridine Derivative","Acta Crystallographica Section C","1995","51","6","1204","1207","10.1107/S0108270194012631","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003550","16.652","0.003","12.754","0.003","3.841","0.002","90","","94.39","0.02","90","","813.4","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","HA1105","Adatia, T.; Barjesteh, H.; Charalambous, J.; Choi, N.; McPartlin, M.","3-Acetylamino-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1995","51","6","1187","1189","10.1107/S0108270194012837","","","0.71069","MoKα","","","0.056","","","0.0545","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003551","6.003","0.005","8.301","0.006","11.432","0.01","90","","94.39","0.05","90","","568","0.8","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","HA1112","Kettmann, V.; Svetlík, J.; Schantl, J. G.","4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide","Acta Crystallographica Section C","1995","51","6","1133","1135","10.1107/S0108270194011947","","","0.71069","MoKα","","","0.062","","","0.074","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003552","10.888","0.002","9.329","0.001","12.628","0.001","90","","95.03","0.01","90","","1277.7","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","HA1116","Kendi, E.; Özbey, S.; Ide, S.; Fun, H.-K.; Yip, B.-C.","The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","6","1144","1146","10.1107/S0108270194012047","","","0.7107","MoKα","","","0.0476","","","0.0567","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003553","12.569","0.004","5.1148","0.0007","21.74","0.01","90","","104.04","0.04","90","","1355.9","0.8","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.041","","","0.049","","","","","2","2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003554","9.219","0.001","13.768","0.005","11.133","0.002","90","","111.36","0.01","90","","1316","0.6","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.04","","","0.045","","","","","1.8","1.8","","","","","has coordinates","278038","2022-09-21","10:28:06",""
"2003555","9.859","0.002","15.01","0.006","11.947","0.005","90","","113.91","0.02","90","","1616.2","1","102","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 P Si3 -","- C9 H27 P Si3 -","- C36 H108 P4 Si12 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003556","21.472","0.005","9.117","0.001","5.186","0.001","90","","90","","90","","1015.2","0.3","102","","","","","","","","","","see text","3","P n m a","-P 2ac 2n","62","","","","- C3 H9 P -","- C3 H18 P2 -","- C24 H144 P16 -","8","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.037","","","0.049","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003557","9.495","0.004","7.421","0.001","11.151","0.003","90","","90.71","0.02","90","","785.7","0.4","102","","","","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 P -","- C6 H15 P -","- C24 H60 P4 -","4","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.059","","","0.068","","","","","4.7","4.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003558","11.152","0.003","14.767","0.004","12.816","0.003","90","","102.56","0.002","90","","2060.1","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N8 O12 Zn2 -","- C36 H44 N8 O12 Zn2 -","- C72 H88 N16 O24 Zn4 -","2","0.5","HR1048","Skorsepa, J.; Györyovà, K.; Melník, M.; Smolander, K.; Ahlgrén, M.","Dimeric Bis(μ-propionato-<i>O</i>:<i>O</i>')bis[bis(nicotinamide-<i>N</i>)(propionato-<i>O</i>)zinc(II)]","Acta Crystallographica Section C","1995","51","6","1069","1071","10.1107/S0108270194014186","","","0.71073","MoKα","","","0.0499","","","0.0651","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003559","9.477","0.001","7.463","0.001","26.727","0.003","90","","90","","90","","1890.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 K O5 -","- C8 H6 K O5 -","- C64 H48 K8 O40 -","8","1","HU1120","Kariuki, B. M.; Jones, W.","Potassium Hydrogen Phthalate Hemiperhydrate","Acta Crystallographica Section C","1995","51","6","1128","1130","10.1107/S0108270194012497","","","0.71069","MoKα","","0.1379","0.0449","","0.106","0.0859","","","","0.93","1.262","1.262","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003560","14.506","0.004","3.7329","0.001","19.245","0.003","90","","91.45","0.02","90","","1041.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Sodium o-chloro-trans-cinnamate dihydrate","","","- C9 H10 Cl Na O4 -","- C9 H10 Cl Na O4 -","- C36 H40 Cl4 Na4 O16 -","4","1","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0461","0.034","","0.1037","0.0943","","","","1.067","1.156","1.156","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003561","6.025","0.003","5.385","0.003","29.991","0.014","90","","94.46","0.04","90","","970.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate)","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C36 H44 Mg2 O20 -","2","0.5","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0524","0.0425","","0.1171","0.1138","","","","1.107","1.177","1.177","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003562","12.513","0.002","17.356","0.003","10.172","0.002","90","","102.66","0.003","90","","2155.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl3 O3 -","- C25 H17 Cl3 O3 -","- C100 H68 Cl12 O12 -","4","1","HU1130","Anulewicz, R.; Świrska, B.; Milart, P.","Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate","Acta Crystallographica Section C","1995","51","6","1180","1182","10.1107/S0108270194012515","","","1.54178","CuKα","","0.0712","0.0681","","0.1844","0.177","","","","1.046","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003563","7.029","0.002","11.598","0.003","13.172","0.02","103.85","0.02","89.14","0.02","95.87","","1037.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine Chloride tetrahydrate","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1273","0.0701","","0.2214","0.1947","","","","0.98","1.238","1.238","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003564","7.3712","0.001","11.2724","0.001","13.3998","0.001","77.587","0.007","73.299","0.007","78.228","0.008","1029.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine chloride ethanol solvate hemihydrate","","","- C22 H25 Cl N O5.5 -","- C22 H25 Cl N O5.5 -","- C44 H50 Cl2 N2 O11 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.126","0.0562","","0.1879","0.1534","","","","0.99","1.302","1.302","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2003565","21.974","0.003","7.2","0.007","26.151","0.003","90","","110.18","0.01","90","","3883","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Berberine bromide dihydrate","","","- C20 H22 Br N O6 -","- C20 H22 Br N O6 -","- C160 H176 Br8 N8 O48 -","8","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1631","0.0471","","0.0971","0.0839","","","","0.831","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003566","7.0814","0.001","15.917","0.002","16.154","0.002","90","","99.126","0.01","90","","1797.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Berberine Iodide","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2655","0.0666","","0.1288","0.1","","","","0.75","1.277","1.277","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003567","23.198","0.03","6.918","0.01","24.963","0.03","90","","96.65","0.09","90","","3979","9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis(berberine) sulphate heptadydrate","","","- C40 H50 N2 O19 S -","- C40 H50 N2 O19 S -","- C160 H200 N8 O76 S4 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2867","0.0764","","0.2046","0.1649","","","","0.732","1.321","1.321","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2003568","6.11","0.001","8.205","0.001","5.868","0.001","90","","90","","90","","294.18","0.08","294","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mercury Selenite","Mercury(II) Selenate(IV)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","0.5","HU1145","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite","Acta Crystallographica Section C","1995","51","6","1040","1042","10.1107/S0108270194014770","","","0.71073","MoKα","","","0.026","","","0.032","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003569","15.919","0.005","10.307","0.009","16.23","0.02","90","","104.93","0.04","90","","2573","4","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H80 P12 Th -","- C32 H80 P12 Th -","- C64 H160 P24 Th2 -","2","1","JZ1000","Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.","Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)","Acta Crystallographica Section C","1995","51","6","1060","1063","10.1107/S0108270194011790","","","0.71069","MoKα","","","0.0447","","","0.1026","","","","","0.515","0.515","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003570","28.058","0.006","17.315","0.002","14.962","0.001","90","","101.36","0.01","90","","7126.5","1.8","293","","","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Ag4.46 Cu0.54 N P2 -","- C84 H60 Ag5 Cu3 N P2 -","- C336 H240 Ag20 Cu12 N4 P8 -","4","0.5","JZ1005","Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M.","Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster","Acta Crystallographica Section C","1995","51","6","1089","1092","10.1107/S0108270194014162","","","0.71073","MoKα","","","0.032","","","0.082","","","","","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003571","5.094","0.002","5.273","0.002","7.572","0.003","102.52","0.02","104.45","0.02","102.07","0.02","184.67","0.13","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","1","0.5","JZ1007","Effenberger, H.","Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification","Acta Crystallographica Section C","1995","51","6","1042","1045","10.1107/S0108270194014617","","","0.710688","MoKα","","","0.02","","","0.019","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003572","9.594","0.005","12.43","0.005","16.893","0.009","109.71","0.02","99.13","0.03","105.9","0.03","1752.4","1.6","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl2 O2 P2 Re -","- C39 H37 Cl2 O2 P2 Re -","- C78 H74 Cl4 O4 P4 Re2 -","2","1","JZ1019","Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.","<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","6","1078","1080","10.1107/S0108270194013314","","","0.71073","MoKα","","","0.0207","","","0.0509","","","","","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003573","19.907","0.005","19.907","0.005","6.43","0.005","90","","90","","90","","2548","2","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","Bis(phthalocyaninato)erbium","Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium","","- C64 H32 Er N16 -","- C64 H32 Er N16 -","- C128 H64 Er2 N32 -","2","0.125","JZ1021","Ostendorp, G.; Werner, J.-P.; Homborg, H.","Bis(phthalocyaninato)erbium (α1 Phase)","Acta Crystallographica Section C","1995","51","6","1125","1128","10.1107/S0108270195000126","","","0.71069","MoKα","","0.0632","0.0478","","0.2013","0.1831","","","","1.274","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003574","7.223","0.003","13.913","0.0015","14.931","0.0015","100.655","0.009","101.33","0.03","90.32","0.02","1444.5","0.7","293","2","293","2","","","","","","","crystallized from water/acetone","6","P -1","-P 1","2","fac-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","2","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.0222","0.0187","","0.0525","0.0503","","","","1.199","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003575","9.676","0.005","14.046","0.003","10.476","0.003","90","","97.357","0.004","90","","1412.1","0.9","293","2","293","2","","","","","","","crystallized from water/acetone","6","P 1 21/n 1","-P 2yn","14","mer-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","1","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.035","0.0183","","0.0453","0.039","","","","1.139","1.094","1.094","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003576","10.957","0.001","12.836","0.002","16.466","0.003","90","","90","","90","","2315.8","0.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O12 -","- C23 H33 N O12 -","- C92 H132 N4 O48 -","4","1","KA1049","Urbanczyk-Lipkowska, Z.","A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)","Acta Crystallographica Section C","1995","51","6","1184","1187","10.1107/S010827019301265X","","","0.71069","MoKα","","","0.046","","","0.039","","","","","1.348","1.348","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003577","13.342","0.001","17.709","0.002","9.723","0.002","90","","97.23","0.01","90","","2279","0.6","295","2","","","","","","","","","CH~3~CH/H~2~O","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B2 N12 Zn -","- C18 H20 B2 N12 Zn -","- C72 H80 B8 N48 Zn4 -","4","1","KH1006","Nakata, K.; Kawabata, S.; Ichikawa, K.","Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","6","1092","1094","10.1107/S0108270194013880","","","0.71073","MoKα","","","0.0467","","","0.0476","","","","","1.79","1.79","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2003578","14.049","0.001","7.874","0.0008","15.017","0.001","90","","115.45","0.01","90","","1499.9","0.2","293","2","293","2","","","","","","","Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994).","3","P 1 21 1","P 2yb","4","","3-methoxy-4-hydroxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","LI1126","Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.","Vanillin-I","Acta Crystallographica Section C","1995","51","6","1131","1133","10.1107/S0108270194011923","","","0.71073","MoKα","","0.0426","0.025","","0.0658","0.0603","","","","0.97","1.066","1.066","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2003579","6.059","0.001","11.598","0.002","17.253","0.004","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzaldehydephenylhydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","LI1127","Velavan, R.; Sivakumar, K.; Anbu, M.","(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone","Acta Crystallographica Section C","1995","51","6","1227","1229","10.1107/S0108270194012606","","","1.5418","CuKα","","0.0398","0.0368","","0.1097","0.1074","","","","1.058","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003580","13.537","0.01","14.111","0.007","12.06","0.01","99.98","0.06","90.24","0.07","94.02","0.06","2263","3","188","","","","","","","","","","crystallization from ethanol","5","P -1","-P 1","2","","","","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","1","0.5","MU1081","Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.","Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]","Acta Crystallographica Section C","1995","51","6","1082","1084","10.1107/S0108270194009935","","","1.54178","CuKα","","","0.0697","","","0.0734","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003581","7.435","0.003","14.124","0.003","13.693","0.003","90","","111.03","0.03","90","","1342.2","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II)","","- C26 H18 Cl2 Cu F2 N4 O6 -","- C26 H18 Cl2 Cu F2 N4 O6 -","- C52 H36 Cl4 Cu2 F4 N8 O12 -","2","0.5","MU1108","Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M.","Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)","Acta Crystallographica Section C","1995","51","6","1095","1097","10.1107/S0108270194013922","","","0.71069","MoKα","","","0.047","","","0.045","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003582","9.494","0.001","9.494","0.001","11.203","0.002","90","","90","","90","","1009.8","0.2","293","","","","","","","","","","Et~2~O/MeCN","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pt -","- C8 H12 F12 N4 P2 Pt -","- C16 H24 F24 N8 P4 Pt2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0287","","","0.0339","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003583","9.434","0.002","9.434","0.002","11.27","0.003","90","","90","","90","","1003","0.4","293","","","","","","","","","","Et~2~O/MeCN solvent diffusion","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pd -","- C8 H12 F12 N4 P2 Pd -","- C16 H24 F24 N8 P4 Pd2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0289","","","0.0466","","","","","1.817","1.817","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003584","11.749","0.001","23.342","0.002","12.644","0.002","90","","111.32","0.01","90","","3230.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(triphenylarsine)chloromethylplatinum(II)","","- C37 H33 As2 Cl Pt -","- C37 H33 As2 Cl Pt -","- C148 H132 As8 Cl4 Pt4 -","4","1","MU1156","Roodt, A.; Otto, S.; Leipoldt, J. G.","<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)","Acta Crystallographica Section C","1995","51","6","1105","1106","10.1107/S0108270194014599","","","0.71073","MoKα","","0.0275","0.0275","","0.0696","0.0696","","","","1.066","1.066","1.066","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003585","13.747","0.009","21.08","0.04","10.3","0.01","90","","98.97","0.06","90","","2948","7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","NA1106","Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1995","51","6","1232","1234","10.1107/S0108270194012825","","","0.71073","MoKα","","","0.071","","","0.094","","","","","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003586","7.59","0.001","11.64","0.001","11.748","0.003","88","0.01","88.08","0.01","80.02","0.01","1021.2","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one","","- C25 H20 O6 -","- C25 H20 O6 -","- C50 H40 O12 -","2","1","NA1123","Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.","3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one","Acta Crystallographica Section C","1995","51","6","1211","1213","10.1107/S0108270194012710","","","1.54178","CuKα","","0.05","0.044","","","0.067","","","","","3.021","3.021","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003587","9.1706","0.0041","9.3871","0.0073","9.5577","0.0027","112.988","0.057","113.552","0.022","93.402","0.051","671.3","0.8","250","","250","","","","","","","","synthetic","7","P 1","P 1","1","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat","","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","1","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0176","","","0.0206","","","","","1.0996","1.0996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003588","12.6087","0.0025","15.2262","0.0192","18.5205","0.007","90","","90","","90","","3556","5","250","","250","","","","","","","","synthetic","7","P 21 21 21","P 2ac 2ab","19","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat","","- C38 H39 F6 N2 O2 P Pd -","- C38 H39 F6 N2 O2 P Pd -","- C152 H156 F24 N8 O8 P4 Pd4 -","4","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0309","","","0.0183","","","","","1.1326","1.1326","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003589","7.256","0.001","9.3991","0.0009","30.265","0.003","90","","90","","90","","2064.1","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","NA1126","Puliti, R.; De Rosa, S.; Mattia, C. A.","Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>","Acta Crystallographica Section C","1995","51","6","1195","1198","10.1107/S0108270194012722","","","1.54056","CuKα","","","0.0441","","","0.0438","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003590","11.746","0.001","16.535","0.001","24.139","0.001","90","","90","","90","","4688.3","0.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N8 Ni O6 -","- C20 H24 N8 Ni O6 -","- C160 H192 N64 Ni8 O48 -","8","1","NA1132","Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.","[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate","Acta Crystallographica Section C","1995","51","6","1107","1109","10.1107/S010827019401406X","","","0.71073","MoKα","","","0.034","","","0.065","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003591","7.24","0.001","14.373","0.003","7.444","0.002","90","","90","","90","","774.6","0.3","293","","","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C6 H5 B F3 K -","- C6 H5 B Ce F3 K -","- C24 H20 B4 Ce4 F12 K4 -","4","1","NA1133","Conole, G.; Clough, A.; Whiting, A.","Potassium Trifluorophenylborate","Acta Crystallographica Section C","1995","51","6","1056","1059","10.1107/S0108270194014198","","","0.71073","MoKα","","","0.0481","","","0.0501","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003592","6.537","0.004","15.04","0.009","14.572","0.01","90","","92.92","0.05","90","","1430.8","1.6","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide","Acta Crystallographica Section C","1995","51","6","1169","1170","10.1107/S0108270194014666","","","0.71073","MoKα","","0.0705","0.0445","","0.0916","0.068","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003593","12.705","0.004","21.68","0.006","13.013","0.004","90","","113.1","0.02","90","","3297","1.8","293","2","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl3 H18 N6 Ru -","- Cl3 H19 N6 Ru -","- Cl36 H228 N72 Ru12 -","12","1.5","OH1062","Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N.","Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties","Acta Crystallographica Section C","1995","51","6","1045","1047","10.1107/S0108270194009522","","","0.71073","MoKα","","","0.0271","","","0.0695","","","","","1.179","1.179","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003594","14.351","0.003","6.468","0.001","11.498","0.002","90","","118.42","0.01","90","","938.6","0.3","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- H16 Na2 O10 -","- H16 Na2 O10 -","- H64 Na8 O40 -","4","0.5","OH1071","Grehl, M.; Fröhlich, R.; Thiele, S.","Na~2~O~2~.8H~2~O","Acta Crystallographica Section C","1995","51","6","1038","1040","10.1107/S010827019401382X","","","0.71073","MoKα","","","0.0241","","","0.07","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003595","24.633","0.005","16.44","0.002","7.465","0.001","90","","92.86","0.01","90","","3019.3","0.8","293","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O6 -","- C18 H15 O6 -","- C144 H120 O48 -","8","2","PA1095","Wallet, J.-C.; Cody, V.","A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone","Acta Crystallographica Section C","1995","51","6","1193","1195","10.1107/S0108270194005986","","","1.54184","CuKα","","","0.052","","","0.064","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003596","12.258","0.007","22.289","0.004","13.297","0.006","90","","104.64","0.04","90","","3515","3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H44 Cl2 N2 O13 -","- C30 H44 Cl2 N2 O13 -","- C120 H176 Cl8 N8 O52 -","4","1","PA1136","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand","Acta Crystallographica Section C","1995","51","6","1218","1221","10.1107/S0108270194013570","","","0.71073","MoKα","","","0.061","","","0.056","","","","","1.47","1.47","","","","","has coordinates","198441","2020-10-21","18:00:00",""
"2003597","30.912","0.007","7.719","0.002","6.184","0.006","95.4","0.07","87.16","0.07","94.85","0.02","1462.5","1.5","293","","293","","","","","","","","crystallized from toluene","4","P 1","P 1","1","","4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate","","- C29 H33 F7 O5 -","- C29 H33 F7 O5 -","- C58 H66 F14 O10 -","2","2","PA1138","Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.","A Mesogenic Perfluorinated Compound","Acta Crystallographica Section C","1995","51","6","1229","1231","10.1107/S0108270194013582","","","0.71069","MoKα","","","0.0452","","","0.0459","","","","","1.229","1.229","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003598","16.881","0.009","12.659","0.009","9.201","0.006","90","","90","","90","","1966.5","","298","","","","","","","","","","from hexane","4","P m n b","","","","","","- C19 H26 Cl2 Ti -","- C9.5 H13 Cl Ti0.5 -","- C38 H52 Cl4 Ti2 -","4","0.5","","Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.","syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium","Acta Crystallographica Section C","1995","51","6","1063","1064","10.1107/S0108270194014083","","","0.71069","MoKα","","","0.049","","","0.055","","","","","1.4","1.4","","","","","has coordinates","175029","2020-10-21","18:00:00",""
"2003599","8.017","0.002","11.103","0.003","8.263","0.003","90","","111.53","0.04","90","","684.2","0.4","293","","293","","","","","","","","from chemical synthesis","3","P 1 21 1","P 2yb","4","","2α,3α,7β,13β-diépoxy-trans-himachalane.","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1152","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1995","51","6","1171","1173","10.1107/S0108270194014125","","","0.7107","MoKα","","","0.057","","","0.075","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003600","10.785","0.005","15.709","0.006","20.884","0.008","90","","100.89","0.03","90","","3474","2","293","","293","","","","","","","","dimethylformamide/chloroform","6","P 1 21/n 1","-P 2yn","14","","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selena- diazadiphosphorin","","- C27 H24 Cl8 N2 P2 Se -","- C27 H24 Cl8 N2 P2 Se -","- C108 H96 Cl32 N8 P8 Se4 -","4","1","SE1064","Bolte, M.","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin","Acta Crystallographica Section C","1995","51","6","1209","1211","10.1107/S0108270194008334","","","0.71069","MoKα","","0.18","0.1048","","0.2991","0.2524","","","","1.023","1.278","1.278","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003601","7.838","0.004","15.318","0.004","8.84","0.004","90","","116.22","0.04","90","","952.1","0.8","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","1","SE1071","Steiner, T.","<i>N</i>-(Propargyloxy)phthalimide","Acta Crystallographica Section C","1995","51","6","1135","1136","10.1107/S0108270194012941","","","1.54184","CuKα","","","0.049","","","0.049","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003602","11.623","0.001","20.861","0.002","12.57","0.001","90","","116.47","0.01","90","","2728.3","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside","","- C43 H52 F24 N2 O15 -","- C43 H52 F24 N2 O15 -","- C86 H104 F48 N4 O30 -","2","1","SE1073","Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.","The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K","Acta Crystallographica Section C","1995","51","6","1198","1201","10.1107/S0108270194011157","","","1.54178","CuKα","","0.0489","0.0475","","0.1284","0.1246","","","","1.038","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003603","15.279","0.006","16.864","0.006","10.424","0.003","90","","90","","90","","2685.9","1.6","293","","","","","","","","","","Synthese in unserem Labor, Kristalle aus THF/n-Hexan","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cl4 N5 O2 P3 -","- C22 H26 Cl4 N5 O2 P3 -","- C88 H104 Cl16 N20 O8 P12 -","4","0.5","SE1074","Diefenbach, U.; Allcock, H. R.; Visscher, K. B.","Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren","Acta Crystallographica Section C","1995","51","6","1215","1218","10.1107/S0108270194013636","","","0.71073","MoKα","","","0.054","","","0.041","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003604","9.199","0.003","10.278","0.003","13.057","0.003","102.17","0.02","99.36","0.03","92.69","0.02","1186.5","0.6","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","Bis-(tetraphenylphosphonium)-hexachlorodiindat(II)","","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","1","0.5","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0443","0.0319","","0.0812","0.0758","","","","1.025","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003605","10.093","0.002","11.018","0.003","22.133","0.004","96.03","0.02","95.25","0.02","107.34","0.02","2316.8","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril","","- C50 H43 Cl5 In N P2 -","- C49 H40 Cl5 In N0.5 P2 -","- C98 H80 Cl10 In2 N P4 -","2","1","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0366","0.0297","","0.0804","0.0762","","","","1.056","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003606","8.336","0.002","18.259","0.005","15.183","0.004","90","","91.58","0.02","90","","2310.1","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I2 P2 -","- C20 H30 I2 P2 -","- C80 H120 I8 P8 -","4","1","SH1103","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N.","1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan","Acta Crystallographica Section C","1995","51","6","1139","1141","10.1107/S0108270194013272","","","0.71073","MoKα","","0.1039","0.0703","","0.183","0.1456","","","","1.532","1.554","1.554","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003607","13.829","0.002","13.829","0.002","26.687","0.004","90","","90","","120","","4419.9","1.1","233","2","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H39 O3 P S -","- C30 H39 O3 P S -","- C180 H234 O18 P6 S6 -","6","0.333333","SH1106","Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.","Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS","Acta Crystallographica Section C","1995","51","6","1207","1209","10.1107/S0108270194013624","","","0.71069","MoKα","","","0.044","","","0.107","","","","","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003608","13.526","0.007","7.801","0.007","8.706","0.011","90","","109.14","0.05","90","","867.8","1.4","293","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Cr2 N2 O7 -","- C2 H10 Cr2 N2 O7 -","- C8 H40 Cr8 N8 O28 -","4","0.5","SH1107","Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.","Ethylenediaminium Dichromate","Acta Crystallographica Section C","1995","51","6","1073","1075","10.1107/S0108270194014836","","","0.71073","MoKα","","","0.0223","","","0.0733","","","","","0.837","0.837","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003609","9.68","0.005","12.846","0.005","16.944","0.006","90","","90","","90","","2107","1.6","293","","","","","","","","","","synthesized in our own laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl2 O Ti -","- C23 H26 Cl2 O Ti -","- C92 H104 Cl8 O4 Ti4 -","4","1","TA1007","Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.","Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)","Acta Crystallographica Section C","1995","51","6","1065","1067","10.1107/S0108270194013910","","","0.71069","MoKα","","","0.066","","","0.086","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003610","14.648","0.002","9.8802","0.0005","10.9","0.001","90","","134.984","0.003","90","","1115.8","0.2","300","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H27 Cl2 N Sn -","- C22 H27 Cl2 N Sn -","- C44 H54 Cl4 N2 Sn2 -","2","0.5","TA1012","Ng, S. W.","Tetramethylammonium Dichlorotriphenylstannate","Acta Crystallographica Section C","1995","51","6","1124","1125","10.1107/S0108270194014678","","","0.71073","MoKα","","","0.02","","","0.025","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003611","15.964","0.003","13.603","0.001","10.835","0.002","90","","97","0.007","90","","2335.4","0.6","298","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate","","- C15 H25 Cl2 Mg N3 O12 -","- C15 H25 Cl2 Mg N3 O12 -","- C60 H100 Cl8 Mg4 N12 O48 -","4","0.5","TA1014","Othman, A. H.; Ng, S. W.","Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate","Acta Crystallographica Section C","1995","51","6","1059","1060","10.1107/S0108270194014848","","","0.71073","MoKα","","0.1008","0.0675","","0.1994","0.17","","","","1.062","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003612","16.38","0.003","5.5227","0.0005","17.355","0.003","90","","108.78","0.08","90","","1486.4","0.8","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","1","TA1018","Ng, S. W.","<i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^}","Acta Crystallographica Section C","1995","51","6","1143","1144","10.1107/S0108270194012382","","","0.71073","MoKα","","","0.06","","","0.069","","","","","0.465","0.465","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003613","13.247","0.003","6.769","0.001","7.302","0.001","90","","107.39","0.02","90","","624.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di-chloro-bis(1-ethyltetrazole)copper(II)","trans-di-chloro-bis(1-ethyltetrazole-N^4^)copper(II)","","- C6 H12 Cl2 Cu N8 -","- C6 H12 Cl2 Cu N8 -","- C12 H24 Cl4 Cu2 N16 -","2","0.5","VS1015","Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A.","<i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","1995","51","6","1084","1087","10.1107/S0108270194013429","","","1.54178","CuKα","","0.0628","0.0611","","0.1663","0.1636","","","","1.065","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003614","5.335","0.002","10.625","0.002","11.886","0.002","109.36","0.02","96.47","0.02","90.56","0.02","630.8","0.3","298","","","","","","","","","","slow recrystallization from DMF","5","P -1","-P 1","2","","","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C24 H24 N8 O4 S2 -","2","1","AB1125","Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.","6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine","Acta Crystallographica Section C","1995","51","7","1392","1394","10.1107/S0108270194013831","","","0.71069","MoKα","","","0.061","","","0.068","","","","","1.11","1.11","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003615","10.412","0.003","12.9","0.002","16.892","0.005","81.48","0.03","73.48","0.03","79.6","0.02","2128.1","1","293","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O2 -","- C48 H64 O2 -","- C96 H128 O4 -","2","1","AB1130","Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1995","51","7","1465","1467","10.1107/S0108270194014150","","","0.7107","MoKα","","","0.07","","","0.08","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003616","9.093","0.007","12.108","0.009","12.599","0.008","64.1","0.04","80.35","0.05","87.61","0.06","1229.4","1.6","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.033","","","0.038","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003617","9.143","0.004","12.318","0.004","12.798","0.004","63.65","0.02","79.9","0.02","86.86","0.02","1271.1","0.8","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.039","","","0.054","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003618","10.879","0.005","17.591","0.007","10.649","0.005","102.96","0.04","97.46","0.03","81.64","0.03","1954.9","1.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 P2 Pd2 S4 -","- C40 P2 Pd2 S4 -","- C80 P4 Pd4 S8 -","2","1","AB1192","Cao, R.; Hong, M.; Jiang, F.; Liu, H.","A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~]","Acta Crystallographica Section C","1995","51","7","1280","1282","10.1107/S0108270194015076","","","0.71073","MoKα","","","0.041","","","0.047","","","","","3.327","3.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003619","12.841","0.007","8.113","0.004","14.219","0.007","90","","115.89","0.04","90","","1332.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-4'-methoxy Flavanone","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","AB1220","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxy-4'-methoxyflavanone","Acta Crystallographica Section C","1995","51","7","1442","1444","10.1107/S010827019500062X","","","0.71073","MoKα","","0.1035","0.0598","","0.1868","0.1614","","","","1.075","1.276","1.276","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003620","5.894","0.003","12.954","0.001","23.602","0.002","90","","90","","90","","1802","0.9","293","","","","","","","","","","The material was supplied by Aldrich and recrystallized from toluene","3","F 2 d d","F -2d 2","43","","","","- C12 H8 F2 -","- C12 H8 F2 -","- C96 H64 F16 -","8","0.5","AB1225","Rajnikant; Watkin, D.; Tranter, G.","Disordered Fluorine in 2-Fluorobiphenyl","Acta Crystallographica Section C","1995","51","7","1452","1454","10.1107/S0108270195000631","","","1.54184","CuKα","","","0.04534","","","0.06006","","","","","0.85","0.85","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003621","5.9268","0.0002","19.6263","0.0015","22.9946","0.0024","90","","93.853","0.006","90","","2668.7","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl3 N12 O8 -","- C19 H15 Cl3 N12 O10 -","- C76 H60 Cl12 N48 O40 -","4","1","AB1234","Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.","The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State","Acta Crystallographica Section C","1995","51","7","1401","1404","10.1107/S010827019500028X","","","1.5418","CuKα","","","0.062","","","0.071","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003622","21.8247","0.0007","21.8247","0.0007","11.1964","0.0004","90","","90","","120","","4618.5","0.3","295","","","","","","","","","","","3","P 62","P 62","171","","","","- C17 H20 O2 -","- C17 H20.5 O2 -","- C204 H246 O24 -","12","2","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.055","","","0.074","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003623","25.5347","0.0033","17.3004","0.0014","7.6486","0.0003","90","","90","","90","","3378.8","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.035","","","0.039","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003624","11.6039","0.0005","31.6071","0.0019","6.2398","0.0002","90","","102.22","0.003","90","","2236.69","0.18","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C104 H142 N2 O8 -","2","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.049","","","0.056","","","","","1.15","1.15","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003625","7.487","0.002","15.47","0.007","8.131","0.007","90","","109.55","0.03","90","","887.5","0.9","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","","- C6 H8 N4 O3 S -","- C6 H8 N4 O3 S -","- C24 H32 N16 O12 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0466","0.0342","","0.1035","0.1002","","","","1.062","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003626","9.802","0.009","11.682","0.009","10.384","0.016","90","","108","0.1","90","","1131","2","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0489","0.0443","","0.1297","0.1276","","","","1.103","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003627","9.315","0.003","12.995","0.005","8.913","0.003","105.63","0.03","104.29","0.03","69.98","0.03","961.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI)","","- C15 H29 Cl O6 W -","- C15 H29 Cl O6 W -","- C30 H58 Cl2 O12 W2 -","2","1","AB1247","Lehtonen, A.; Sillanpää, R.","(3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)","Acta Crystallographica Section C","1995","51","7","1270","1271","10.1107/S0108270195000485","","","0.71069","MoKα","","0.0813","0.0466","","0.1225","0.1091","","","","1.056","1.076","1.076","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003628","10.352","0.002","7.119","0.001","10.652","0.002","90","","104.89","0.03","90","","758.6","0.3","130","2","130","2","","","","","","","evaporation from hexane/dichloromethane","5","P 1 21 1","P 2yb","4","","methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate","","- C13 H17 Br O5 S -","- C13 H17 Br O5 S -","- C26 H34 Br2 O10 S2 -","2","1","AB1251","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","7","1411","1412","10.1107/S0108270195001818","","","0.71073","MoKα","","0.0555","0.04","","0.0898","0.0829","","","","1.05","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003629","9.834","0.005","10.973","0.006","11.51","0.006","112.51","0.02","89.56","0.02","107.24","0.02","1087.9","1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","anthracenecarboxylic anhydride","5,5'-di(anthracenecarboxylic) anhydride","","- C30 H18 O3 -","- C30 H18 O3 -","- C60 H36 O6 -","2","1","AB1274","Blake, A. J.; Grimditch, R. S.; Schröder, M.","5,5'-Di(anthracenecarboxylic) Anhydride","Acta Crystallographica Section C","1995","51","7","1472","1474","10.1107/S0108270195004306","","","0.71073","MoKα","","0.0935","0.0555","","0.1724","0.1285","","","","1.042","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003630","6.466","0.003","4.634","0.002","10.755","0.005","90","","94.74","0.04","90","","321.2","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C10 H8 N4 O8 -","2","1","AS1123","Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.","A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1303","1304","10.1107/S0108270194011042","","","0.71069","MoKα","","","0.03","","","0.08","","","","","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003631","10.086","0.003","8.829","0.002","10.503","0.002","90","","103.43","0.02","90","","909.7","0.4","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","AS1143","Okabe, N.; Suga, T.; Kohyama, Y.","<small>DL</small>-4-Hydroxy-3-methoxymandelic Acid","Acta Crystallographica Section C","1995","51","7","1322","1324","10.1107/S0108270194013259","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003632","13.945","0.009","15.406","0.008","13.83","0.008","90","","90","","90","","2971","3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Br2 O4 -","- C13 H16 Br2 O4 -","- C104 H128 Br16 O32 -","8","1","AS1147","Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.","Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate","Acta Crystallographica Section C","1995","51","7","1397","1399","10.1107/S0108270195001235","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003633","11.528","0.003","9.166","0.001","14.655","0.002","90","","90","","90","","1548.5","0.5","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","AS1148","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","Phenyl Carbamidonitrile","Acta Crystallographica Section C","1995","51","7","1412","1414","10.1107/S0108270194014290","","","0.71073","MoKα","","","0.0436","","","0.0455","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003634","4.867","0.002","6.895","0.002","20.2","0.006","90","","95.23","0.01","90","","675","0.4","293","","","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.077","","","0.104","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003635","20.828","0.003","20.828","0.003","7.832","0.002","90","","90","","120","","2942.4","1","293","","","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0408","","","0.057","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003636","7.144","0.003","7.641","0.002","7.7","0.004","62.13","0.01","68.28","0.01","76.39","0.01","344.2","0.3","293","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0519","","","0.0733","","","","","1.1","1.1","","","","","has coordinates","175362","2020-10-21","18:00:00",""
"2003637","6.807","0.001","8.5813","0.0009","13.994","0.004","90","","98.2","0.01","90","","809.1","0.3","298","2","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cl N O3 -","- C6 H8 Cl N O3 -","- C24 H32 Cl4 N4 O12 -","4","1","AS1154","Smith, G.; Byriel, K. A.; Kennard, C. H. L.","2-Carboxypyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","7","1425","1427","10.1107/S0108270195000175","","","0.71073","MoKα","","","0.039","","","0.095","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003638","11.356","0.002","5.358","0.001","14.122","0.002","90","","105.94","","90","","826.2","0.2","296","","","","","","","","","","evaporation from water","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","AS1155","Okabe, N.; Suga, T.","3-(<i>p</i>-Hydroxyphenyl)propionic Acid","Acta Crystallographica Section C","1995","51","7","1324","1325","10.1107/S0108270194014964","","","0.71069","MoKα","","","0.05","","","0.063","","","","","2.44","2.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003639","14.298","0.003","14.4","0.003","27.187","0.003","90","","91.54","0.01","90","","5595.5","1.8","296","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","2","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","1.54178","CuKα","","","0.038","","","0.056","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003640","11.44","0.004","9.11","0.007","13.51","0.009","90","","90.8","0.3","90","","1407.9","1.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","0.7107","MoKα","","","0.063","","","0.077","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003641","10.33","0.001","24.092","0.001","21.543","0.001","90","","97.89","0.01","90","","5310.7","0.6","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate","","- C44 H32 Cl Fe N4 O6 -","- C44 H32 Cl Fe N4 O6 -","- C264 H192 Cl6 Fe6 N24 O36 -","6","1.5","BK1091","Cheng, B.; Scheidt, W. R.","Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~","Acta Crystallographica Section C","1995","51","7","1271","1275","10.1107/S0108270195001028","","","0.71073","MoKα","","0.1133","0.0684","","0.1939","0.1657","","","","1.057","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003642","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","296","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.5","BR1096","Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.","A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~","Acta Crystallographica Section C","1995","51","7","1243","1246","10.1107/S0108270195000977","","","0.71073","MoKα","","","0.0387","","","0.0449","","","","","3.396","3.396","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003643","6.7214","0.0006","13.8558","0.0007","7.2764","0.0004","90","","105.927","0.006","90","","651.64","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al4 F9 K3 O8 P2 -","- Al4 F9 K3 O8 P2 -","- Al8 F18 K6 O16 P4 -","2","0.5","BR1099","Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.","A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]","Acta Crystallographica Section C","1995","51","7","1246","1249","10.1107/S0108270195000576","","","1.54178","CuKα","","0.0381","0.0333","","0.0912","0.0879","","","","1.03","1.056","1.056","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003644","7.479","0.002","12.221","0.005","19.306","0.006","90","","90","","90","","1764.6","1","295","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 F2 N2 O5 P S -","- C10 H25 F2 N2 O5 P S -","- C40 H100 F8 N8 O20 P4 S4 -","4","1","CR1095","Baenziger, N. C.; Burton, D. J.; Modak, A. S.","Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate","Acta Crystallographica Section C","1995","51","7","1355","1356","10.1107/S0108270194012254","","","0.71073","MoKα","","","0.034","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003645","7.37","0.001","10.919","0.002","9.887","0.001","90","","108.45","0.01","90","","754.74","0.19","293","","","","","","","","","","recrystallization from ethanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br N O3 -","- C6 H4 Br N O3 -","- C24 H16 Br4 N4 O12 -","4","1","CR1140","Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.","5-Bromo-2-(2-nitroethenyl)furan","Acta Crystallographica Section C","1995","51","7","1368","1369","10.1107/S0108270194012394","","","0.71069","MoKα","","","0.05","","","0.06","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003646","9.248","0.002","16.521","0.004","10.359","0.002","90","","109.31","0.01","90","","1493.7","0.6","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","CR1149","Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.","An Unexpected Intermediate in the Synthesis of Substituted Pyridones","Acta Crystallographica Section C","1995","51","7","1404","1407","10.1107/S0108270195001259","","","1.5406","CuKα","","","0.052","","","0.035","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003647","7.986","0.001","12.798","0.003","5.481","0.001","94.08","0.02","95.45","0.01","95.81","0.01","552.94","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N Na O9 S -","- C6 H10 N Na O9 S -","- C12 H20 N2 Na2 O18 S2 -","2","1","CR1155","Squattrito, P. J.","Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate","Acta Crystallographica Section C","1995","51","7","1282","1284","10.1107/S0108270195000849","","","0.71073","MoKα","","","0.031","","","0.032","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003648","5.502","0.001","15.384","0.001","9.918","0.002","90","","93.43","0.02","90","","838","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine","","- C15 H21 N3 O7 -","- C15 H21 N3 O7 -","- C30 H42 N6 O14 -","2","1","CR1159","Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.","2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine","Acta Crystallographica Section C","1995","51","7","1462","1464","10.1107/S0108270194014332","","","0.7107","MoKα","","0.0762","0.0369","","0.1311","0.0834","","","","1.05","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003649","15.134","0.002","7.403","0.002","17.27","0.002","90","","105.25","0.01","90","","1866.7","0.6","293","","293","","","","","","","","synthesized by authors","3","P 1 21 1","P 2yb","4","cholesteryl-4-octeneoxybenzoate","cholesteryl-4-octeneoxybenzoate","","- C42 H64 O3 -","- C42 H64 O3 -","- C84 H128 O6 -","2","1","CR1163","Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-(8-Octenyloxy)benzoate","Acta Crystallographica Section C","1995","51","7","1444","1447","10.1107/S010827019500093X","","","0.71073","MoKα","","0.163","0.059","","0.079","0.05","","","","1.492","1.549","1.549","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003650","8.2796","0.0009","8.644","0.001","11.336","0.001","97.84","0.01","104.36","0.01","115.03","0.01","684.7","0.16","293","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O -","- C14 H12 Cl2 N2 O -","- C28 H24 Cl4 N4 O2 -","2","1","CR1173","Mague, J. T.; De, D.; Krogstad, D. J.","An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal","Acta Crystallographica Section C","1995","51","7","1423","1425","10.1107/S0108270195000151","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003651","9.418","0.006","14.31","0.01","6.303","0.007","90","","92.45","0.07","90","","848.7","1.2","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 F N O3 P -","- C6 H9 F N O3 P -","- C24 H36 F4 N4 O12 P4 -","4","1","DU1082","Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.","Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}","Acta Crystallographica Section C","1995","51","7","1359","1361","10.1107/S010827019401214X","","","0.71073","MoKα","","","0.046","","","0.049","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003652","4.904","0.001","4.904","0.001","26.186","0.01","90","","90","","120","","545.4","0.3","293","2","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co6.3 Nb6.7 -","- Co6.3 Nb6.7 -","- Co18.9 Nb20.1 -","3","0.0833333","DU1106","Wagner, V.; Conrad, M.; Harbrecht, B.","The μ-Phase of Co~6.3~Nb~6.7~","Acta Crystallographica Section C","1995","51","7","1241","1243","10.1107/S0108270195000552","","","0.71069","MoKα","","","0.0286","","0.096","0.081","","","","","1.076","1.076","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003653","7.2169","0.0005","7.2821","0.0006","11.5524","0.0002","82.154","0.01","87.096","0.01","64.494","0.01","542.8","0.08","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Ortho-phénylènediammonium Dihydrogénodiphosphate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C12 H24 N4 O14 P4 -","2","1","DU1108","Soumhi, E. H.; Jouini, T.","<i>o</i>-Phénylènediammonium Dihydrogénodiphosphate","Acta Crystallographica Section C","1995","51","7","1457","1459","10.1107/S0108270195000230","","","0.71069","MoKα","","0.031","0.028","","0.0808","0.0801","","","","2.817","2.925","2.925","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003654","23.512","0.004","23.861","0.004","22.417","0.004","90","","103.16","0.01","90","","12246","4","120","","","","","","","","","","Mn(O~2~CCH~3~)~2~.4H~2~O + C~5~H~5~N + 3,5-(NO~2~)~2~-C~6~H~3~CO~2~H + ^n^Bu~4~MnO~4~ in C~2~H~5~OH; crystals from acetone/ether","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H84 Mn6 N22 O68 -","- C104 H78 Mn6 N22 O67 -","- C416 H312 Mn24 N88 O268 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.0685","","","0.0666","","","","","1.415","1.415","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003655","18.441","0.003","24.561","0.004","17.497","0.003","90","","90","","90","","7925","2","103","","","","","","","","","","Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K","5","P b n a","-P 2ac 2b","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.075","","","0.064","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003656","11.968","0.002","7.34","0.001","13.539","0.002","90","","99.77","0.01","90","","1172.1","0.3","195","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C48 H76 O4 S4 -","2","0.5","FG1013","Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.","3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K","Acta Crystallographica Section C","1995","51","7","1394","1397","10.1107/S0108270195001090","","","1.54184","CuKα","","","0.036","","","0.046","","","","","1.749","1.749","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003657","10.345","0.001","17.316","0.002","15.94","0.002","90","","90","","90","","2855.4","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate","","- C30 H29 N6 O4.5 Zn -","- C30 H29 N6 O4.5 Zn -","- C120 H116 N24 O18 Zn4 -","4","0.5","FG1044","Roszak, A. W.; Milne, P.; Weaver, D. F.","Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate","Acta Crystallographica Section C","1995","51","7","1297","1300","10.1107/S0108270195000291","","","0.71069","MoKα","","0.0577","0.0423","","0.1373","0.1199","","","","1.092","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003658","11.793","0.003","23.267","0.003","12.713","0.001","90","","111.48","0.02","90","","3246","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 As2 Cl Pd -","- C37 H33 As2 Cl Pd -","- C148 H132 As8 Cl4 Pd4 -","4","1","FG1047","Rath, N. P.; Ladipo, F. T.; Anderson, G. K.","<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)","Acta Crystallographica Section C","1995","51","7","1289","1290","10.1107/S010827019401485X","","","0.71073","MoKα","","0.0812","0.0365","","0.0807","0.0723","","","","0.815","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003659","7.136","0.001","7.221","0.001","24.405","0.003","90","","90","","90","","1257.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","FG1054","Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.","(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","Acta Crystallographica Section C","1995","51","7","1372","1374","10.1107/S010827019500076X","","","0.71069","MoKα","","","0.031","","","0.036","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003660","12.33","0.03","8.26","0.04","14.25","0.03","90","","115","0.5","90","","1315","9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-1,2H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.049","","","0.052","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003661","11.13","0.008","7.999","0.008","15.162","0.008","90","","95.81","0.05","90","","1342.9","1.8","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-2,3H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.066","","","0.078","","","","","2.51","2.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003662","25.166","0.001","8.588","0.001","18.382","0.001","90","","136.53","0.04","90","","2733","2","296","1","","","","","","","","","recrystallization from methanol","3","C 1 2 1","C 2y","5","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","2","HA1136","Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.","A Naphthalene-Fused Tricyclic Orthoamide","Acta Crystallographica Section C","1995","51","7","1345","1347","10.1107/S010827019401471X","","","0.71073","MoKα","","","0.032","","","0.041","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003663","15.988","0.004","5.715","0.001","16.097","0.004","90","","112.88","0.02","90","","1355.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(∓)-threo-2,3-diphenyl-3-hydroxypropanoic acid, methyl ester","","- C16 H16 O3 -","- C16 H15 O3 -","- C64 H60 O12 -","4","1","HA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Methyl Ester","Acta Crystallographica Section C","1995","51","7","1350","1352","10.1107/S0108270194014277","","","0.71073","MoKα","","0.0579","0.0409","","0.1202","0.1079","","","","1.041","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003664","26.6","0.01","12.219","0.002","7.822","0.002","90","","90","","90","","2542.3","1.2","293","2","293","2","","","","","","","chemical synthesis (see Comment)","6","P b c a","-P 2ac 2ab","61","","4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride","","- C9 H15 Cl N O5 P -","- C9 H15 Cl N O5 P -","- C72 H120 Cl8 N8 O40 P8 -","8","1","HA1141","Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F.","Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug","Acta Crystallographica Section C","1995","51","7","1338","1341","10.1107/S0108270194014721","","","1.54178","CuKα","","0.1368","0.1077","","0.2299","0.2085","","","","1.27","1.325","1.325","","","","","has coordinates","288349","2023-12-15","17:38:15",""
"2003665","10.809","0.002","9.581","0.002","10.986","0.002","90","","109.54","0.01","90","","1072.2","0.4","293","","","","","","","","","","Single crystals were obtained by slow evaporation of an aqueous ethanol solution.","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 O4 -","- C8 H8 N6 O4 -","- C32 H32 N24 O16 -","4","1","HR1036","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.","1,1'-Dimethyl-4,5'-dinitro-2,2'-biimidazole, C~8~H~8~N~6~O~4~","Acta Crystallographica Section C","1995","51","7","1414","1416","10.1107/S0108270194014915","","","0.71073","MoKα","","","0.0515","","","0.0524","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003666","14.339","0.001","4.804","0.001","20.812","0.002","90","","101.48","0.01","90","","1404.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2`-Benzthiazolyl)-3-Carbomethoxymethyl-2-Thioxo-4-imidazolinone], C~13~H~11~N~3~O~3~S~2~","","- C13 H11 N3 O3 S2 -","- C13 H11 N3 O3 S2 -","- C52 H44 N12 O12 S8 -","4","1","HR1040","Kozísek, J.; Ulický, L.; Floch, L.; Langer, V.","1-(2-Benzothiazolyl)-3-methoxycarbonylmethyl-2-thioxo-4-imidazolidinone, C~13~H~11~N~3~O~3~S~2~","Acta Crystallographica Section C","1995","51","7","1429","1431","10.1107/S0108270195000254","","","0.71069","MoKα","","0.1772","0.0417","","0.1249","0.0905","","","","1.004","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003667","21.395","0.003","13.517","0.001","14.905","0.002","90","","107.75","0.01","90","","4105.3","0.9","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N4 O5 -","- C19 H28 N4 O5 -","- C152 H224 N32 O40 -","8","1","HR1051","Hundal, G.; Hundal, M. S.; Kumar, S.; Singh, H.; Sanz-Aparicio, J.","2,3-Benzo-11-(2-cyanoethyl)-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione‒Water (1/1)","Acta Crystallographica Section C","1995","51","7","1459","1462","10.1107/S0108270195000424","","","1.5418","CuKα","","","0.049","","","0.058","","","","","0.54","0.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003668","8.537","0.004","13.936","0.002","12.839","0.003","90","","92.92","0.03","90","","1525.5","0.8","140","2","140","2","","","","","","","Aldrich","4","P 1 21/a 1","-P 2yab","14","chloroxylenol","4-chloro-3,5-dimethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C64 H72 Cl8 O8 -","8","2","HU1115","Cox, P. J.","Chloroxylenol, C~8~H~9~ClO","Acta Crystallographica Section C","1995","51","7","1361","1364","10.1107/S0108270194012588","","","0.71069","MoKα","","0.0483","0.0407","","0.1001","0.0979","","","","0.99","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003669","5.59","0.002","25.299","0.004","7.31","0.002","90","","90.9","0.02","90","","1033.7","0.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-N-4-Fluorophenyl-C-phenylnitrone","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","HU1138","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(<i>Z</i>)-<i>N</i>-4-Fluorophenyl-<i>C</i>-phenylnitrone. Confirmation that the Exclusive Product of the Reaction Between Benzaldehyde and 4-Fluorophenylhydroxylamine is the <i>Z</i> Isomer","Acta Crystallographica Section C","1995","51","7","1470","1472","10.1107/S0108270194014745","","","0.71069","MoKα","","","0.0561","","","0.0695","","","","","1.478","1.478","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003670","5.556","0.002","15.332","0.004","10.427","0.004","90","","90.47","0.02","90","","888","1","296","","","","","","","","","","synthesized at UMIST","5","P 1 21 1","","","","","","- C21 H17 F N2 O3 -","- C21 H17 F N2 O3 -","- C42 H34 F2 N4 O6 -","2","1","","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene","Acta Crystallographica Section C","1995","51","7","1434","1435","10.1107/S0108270194014757","","","0.71069","MoKα","","","0.0617","","","0.0701","","","","","1.649","1.649","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003671","5.842","0.001","10.309","0.001","11.062","0.001","66.53","0.01","76.15","0.01","73.03","0.01","578.7","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(4-fluorophenyl)-2,3,4,5-tetrafluoro-6-hydroxybenzamide","","- C13 H6 F5 N O2 -","- C13 H6 F5 N O2 -","- C26 H12 F10 N2 O4 -","2","1","HU1141","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","2,3,4,5-Tetrafluoro-<i>N</i>-(4-fluorophenyl)-6-hydroxybenzamide: an Example of a Combined Inter- and Intramolecular O···H···O Bifurcated Hydrogen Bond","Acta Crystallographica Section C","1995","51","7","1427","1429","10.1107/S0108270194014769","","","0.71069","MoKα","","","0.0528","","","0.053","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003672","6.361","0.001","6.878","0.001","7.801","0.001","90","","108.47","0.01","90","","323.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-Dideoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0315","0.031","","0.0885","0.0879","","","","1.071","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003673","4.558","0.001","4.747","0.001","8.15","0.002","76.92","0.02","75.61","0.02","82.17","0.02","165.78","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0463","0.0372","","0.0944","0.0916","","","","0.946","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003674","10.216","0.006","13.236","0.006","15.534","0.007","93.89","0.03","99.92","0.03","102.28","0.03","2009.8","1.8","223","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 N3 O P2 Re S2 -","- C45 H38 N3 O P2 Re S2 -","- C90 H76 N6 O2 P4 Re2 S4 -","2","1","JZ1024","Hübener, R.; Abram, U.; Strähle, J.","Isothiocyanato Complexes of Rhenium. V. <i>trans</i>-Bis(isothiocyanato)(methoxy)(phenylimido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1284","1286","10.1107/S0108270195000564","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.305","1.305","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003675","9.841","0.002","9.841","","9.841","","81.33","0.02","81.33","","81.33","","923.37","0.19","295","","295","","","","","","","","Umsetzung von Urotropiniumiodid UrHI mit iodges\""attigter Acetonitrill\""osung","4","R 3 c :R","P 3* -2n","161","Urotropin-3-Diiod","1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decan-3-Diiod","","- C6 H12 I6 N4 -","- C6 H12 I6 N4 -","- C12 H24 I12 N8 -","2","0.333333","JZ1025","Tebbe, K.-F.; Nagel, K.","Urotropin-3-Diiod, Ur.3I~2~","Acta Crystallographica Section C","1995","51","7","1388","1390","10.1107/S0108270194015003","","","0.71069","MoKα","","0.0295","0.0262","","0.0705","0.069","","","","1.059","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003676","7.735","0.001","8.066","0.001","14.319","0.002","103.94","0.02","98.2","0.02","107.83","0.02","802.5","0.2","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","JZ1027","Krieger, C.; Peraus, G.; Neugebauer, F. A.","Pair Stacking of 10-(4-Nitrophenyl)-5(10<i>H</i>)-phenazinyl Radicals","Acta Crystallographica Section C","1995","51","7","1420","1423","10.1107/S0108270195000941","","","0.71073","MoKα","","","0.033","","","0.035","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003677","15.685","0.007","25.364","0.009","7.579","0.004","90","","90","","90","","3015","2","143","","","","","","","","","","Ethanol","3","P c c n","-P 2ab 2ac","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","KA1025","Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.","Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~","Acta Crystallographica Section C","1995","51","7","1325","1327","10.1107/S0108270194013971","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003678","8.919","0.004","14.128","0.003","14.079","0.006","90","","104.58","0.05","90","","1716.9","1.2","243","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 F12 N6 O12 S4 -","- C16 H32 F12 N6 O12 S4 -","- C32 H64 F24 N12 O24 S8 -","2","0.5","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.058","","","0.06","","","","","2.09","2.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003679","8.984","0.005","31.147","0.012","13.357","0.003","90","","106.98","0.06","90","","3575","3","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F12 N6 O13 S4 -","- C16 H32 F12 N6 O13 S4 -","- C64 H128 F48 N24 O52 S16 -","4","1","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.074","","","0.077","","","","","4.48","4.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003680","5.976","0.001","13.146","0.001","25.883","0.003","90","","93.84","0.01","90","","2028.8","0.4","213","1","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 S -","- C24 H30 O2 S -","- C96 H120 O8 S4 -","4","1","KA1094","Kraus, G. A.; Su, Q.; Young, Jnr, V. G.","Construction of the Tetracyclic Skeleton of Leucothol A. 1,2,4a,5,6,7,8,9,10,10a,11,11a-Dodecahydro-11-hydroxy-11-methyl-7-phenylthiomethyl-5a<i>H</i>-5a,8-methanocyclohepta[<i>b</i>]naphthalen-10-one","Acta Crystallographica Section C","1995","51","7","1366","1368","10.1107/S0108270194014071","","","1.54178","CuKα","","0.046","0.0399","","0.1","0.0957","","","","1.044","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003681","19.158","0.003","19.029","0.003","6.377","0.002","90","","90","","90","","2324.8","0.9","296","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","","0.088","","","0.062","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003682","19.058","0.002","19.209","0.002","6.275","0.001","90","","90","","90","","2297.2","0.5","298","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","0.0831","0.0513","","0.052","0.0456","","","","","4.581","4.581","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003683","7.937","0.004","11.249","0.006","15.144","0.006","99.59","0.04","98","0.04","110.59","0.04","1219.1","1.1","295","2","295","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C28 H16 Cu N8 O S -","- C28 H16 Cu N8 O S -","- C56 H32 Cu2 N16 O2 S2 -","2","1","KA1099","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide","Acta Crystallographica Section C","1995","51","7","1291","1293","10.1107/S0108270195001946","","","0.71073","MoKα","","0.1041","0.0506","","0.1318","0.1112","","","","1.024","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003684","8.082","0.002","3.954","0.001","16.103","0.003","90","","98.54","0.03","90","","508.9","0.2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","KA1101","Janczak, J.","2-Aminoanthraquinone","Acta Crystallographica Section C","1995","51","7","1381","1382","10.1107/S0108270194014885","","","1.54184","CuKα","","","0.0616","","","0.0563","","","","","0.55","0.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003685","14.662","0.003","5.419","0.001","21.475","0.004","90","","101.66","0.03","90","","1671.1","0.6","289","2","289","2","","","","","","","grown from ethanol","4","P 1 21 1","P 2yb","4","","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","","- C15 H19 N3 O7 -","- C15 H19 N3 O7 -","- C60 H76 N12 O28 -","4","2","","Van Meervelt, Luc; Kong Thoo Lin, Paul; Brown, Daniel M.","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","Acta Crystallographica Section C","1995","51","7","1347","1350","10.1107/S0108270195000096","","","1.54184","CuKα","","0.1235","0.0692","","0.1726","0.1468","","","","1.073","1.313","1.313","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2003686","17.589","0.003","10.164","0.001","16.807","0.004","90","","84.16","0.01","90","","2989.1","0.9","213","2","213","2","","","","","","","[ReNCl~2~(Me~2~PhP)~3~] + HOSO~2~CF~3~","9","P 1 21/c 1","-P 2ybc","14","","chlorotris(dimethylphenylphosphine)nitrido(trifluoromethanesulfonato)rhenium(V)","","- C25 H33 Cl F3 N O3 P3 Re S -","- C25 H33 Cl F3 N O3 P3 Re S -","- C100 H132 Cl4 F12 N4 O12 P12 Re4 S4 -","4","1","KA1103","Abram, U.; Walker, I.","<i>mer</i>,<i>cis</i>-Chlorotris(dimethylphenylphosphine)nitrido(trifluoromethylsulfonato)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1250","1251","10.1107/S0108270195000692","","","0.7093","MoKα","","0.0829","0.0513","","0.1469","0.1201","","","","1.097","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003687","12.584","0.003","3.894","0.001","6.955","0.001","90","","90","","90","","340.81","0.13","295","","","","","","","","","","see text","3","P m n 21","P 2ac -2","31","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C16 H8 N4 -","2","0.5","KA1110","Janczak, J.; Kubiak, R.","1,2-Dicyanobenzene. A Precursor of Phthalocyanines","Acta Crystallographica Section C","1995","51","7","1399","1401","10.1107/S0108270195001387","","","0.71073","MoKα","","","0.0501","","","0.0614","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003688","14.788","0.004","7.47","0.002","24.188","0.004","90","","90","","90","","2672","1.1","293","2","293","2","","","","","","","recrystallized from benzene at room temperature","3","P b c a","-P 2ac 2ab","61","α-naphthoflavone","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","1","KA1111","Panneerselvam, K.; Soriano-García, M.","α-Naphthoflavone","Acta Crystallographica Section C","1995","51","7","1418","1420","10.1107/S0108270195000680","","","1.54178","CuKα","","0.05","0.0399","","0.1034","0.096","","","","1.112","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003689","15.347","0.007","17.493","0.005","15.0003","0.0008","102.8","0.03","116.77","0.03","79.94","0.03","3493","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H130 Cl4 Co6 O P8 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","1","0.5","KH1003","Jiang, F.; Huang, X.; Cao, R.; Hong, M.; Liu, H.","A Hexacobalt Sulfide Cluster Compound, [Co~6~(μ-S)~8~(PPh~3~)~6~].2PPh~3~.2C~2~H~4~Cl~2~.H~2~O","Acta Crystallographica Section C","1995","51","7","1275","1278","10.1107/S0108270194014873","","","0.71073","MoKα","","","0.058","","","0.069","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003690","14.611","0.002","5.423","0.006","12.191","0.002","90","","96.89","0.01","90","","959","1.1","297","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","KH1007","Suh, M. C.; Kim, S. N.; Lee, H. J.; Shim, S. C.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.","6-(2-Pyridyl)-3,5-hexadiyn-1-ol","Acta Crystallographica Section C","1995","51","7","1416","1418","10.1107/S0108270195001089","","","0.71073","MoKα","","","0.0664","","","0.0633","","","","","2.713","2.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003691","6.4574","0.0012","11.1198","0.0024","6.2652","0.0011","90","","114.382","0.014","90","","409.75","0.14","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (9)","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C20 H16 O8 -","2","0.5","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71073","MoKα","","","0.041","","","0.1","","","","","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003692","5.154","0.002","12.257","0.008","16.034","0.008","90","","90","","90","","1012.9","0.9","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (17)","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71069","MoKα","","","0.0461","","","0.0621","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003693","11.8054","0.001","5.0922","0.001","20.0693","0.0013","90","","90","","90","","1206.5","0.3","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 Se -","- C14 H9 N O2 Se -","- C56 H36 N4 O8 Se4 -","4","1","KH1013","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","3-Phenyl-1,3(4<i>H</i>)-benzoselenazine-2,4(3<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","7","1333","1335","10.1107/S0108270194014563","","","1.5418","CuKα","","","0.0333","","","0.0894","","","","","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003694","8.651","0.002","11.534","0.003","8.878","0.003","90","","93.6","0.02","90","","884.1","0.4","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.057","","","0.075","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003695","12.37","0.001","5.977","0.001","13.909","0.001","90","","113.1","0.01","90","","945.9","0.2","291","1","291","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.041","","","0.056","","","","","3.71","3.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003696","8.531","0.002","9.406","0.001","9.759","0.002","75.92","0.01","78.44","0.02","68.71","0.01","702.3","0.2","293","","299","","","","","","","","","4","P -1","-P 1","2","","1,3,4,10b-tetrahydro-4-phenylpyrido[2,1-a]isoindole-2,6-dione","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","KH1018","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","1,3,4,10b-Tetrahydro-4-phenylpyrido[2,1-<i>a</i>]isoindole-2,6-dione","Acta Crystallographica Section C","1995","51","7","1438","1440","10.1107/S0108270195001132","","","1.5418","CuKα","","0.056","0.047","","0.072","0.069","","","","1.674","1.789","1.789","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003697","6.926","0.001","15.054","0.003","14.471","0.002","90","","99.94","0.01","90","","1486.2","0.4","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-3-methoxyphenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","1.54056","CuKα~1~","","0.0651","0.0375","","0.1096","0.0923","","","","0.921","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003698","11.311","0.008","10.22","0.007","6.586","0.001","79.59","0.02","79.2","0.04","78.86","0.03","725.5","0.7","293","2","293","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","N-methyl-N-phenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","0.71069","MoKα","","0.0964","0.0374","","0.0672","0.0594","","","","0.767","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003699","7.611","0.002","11.808","0.002","12.609","0.002","103.86","0.01","103.12","0.01","103.48","0.01","1020.7","0.4","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl Mn N2 O10 -","- C17 H18 Cl Mn N2 O10 -","- C34 H36 Cl2 Mn2 N4 O20 -","2","1","MU1128","Tan, X.-S.; Chen, J.; Zheng, P.-J.; Tang, W.-X.","<i>trans</i>-Diaqua(bipyridyl)(salicylato)manganese(III) Perchlorate Monohydrate","Acta Crystallographica Section C","1995","51","7","1268","1269","10.1107/S0108270195000539","","","0.71073","MoKα","","","0.044","","","0.048","","","","","1.094","1.094","","","","","has coordinates","199741","2020-10-21","18:00:00",""
"2003700","10.235","0.005","10.249","0.008","11.81","0.003","86.88","0.04","80.46","0.03","66.59","0.06","1121.1","1.2","218","","","","","","","","","","evaporation from water","5","P -1","-P 1","2","","","","- C15 H37 Ge Na O8 -","- C15 H37 Ge Na O8 -","- C30 H74 Ge2 Na2 O16 -","2","1","MU1145","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Sodium Bis(2,3-dimethylbutane-2,3-diolato)hydroxogermanate(IV)‒Methanol (1/3)","Acta Crystallographica Section C","1995","51","7","1258","1260","10.1107/S0108270194013934","","","0.71073","MoKα","","","0.032","","","0.039","","","","","2.59","2.59","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003701","11.119","0.006","16.062","0.003","12.027","0.004","90","","100.72","0.03","90","","2110.5","1.4","296","","","","","","","","","","Crystals were obtained by slow evaporation at room temperature of solutions in 50% ethanol","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al N6 O6 -","- C18 H15 Al N6 O6 -","- C72 H60 Al4 N24 O24 -","4","1","MU1149","Okabe, N.; Tamaki, K.; Suga, T.; Kohyama, Y.","Aluminium Cupferronate, [Al(C~6~H~5~N~2~O~2~)~3~]","Acta Crystallographica Section C","1995","51","7","1295","1297","10.1107/S0108270195000102","","","0.71069","MoKα","","","0.076","","","0.067","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003702","14.985","0.006","17.375","0.006","16.437","0.006","90","","92.23","0.04","90","","4276","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 In K N6 O5 S4 -","- C34 H48 In K N6 O5 S4 -","- C136 H192 In4 K4 N24 O20 S16 -","4","1","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0692","0.0472","","0.1313","0.1089","","","","1.067","1.048","1.048","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003703","8.941","0.002","9.682","0.002","13.113","0.003","87.25","0.03","72.33","0.02","89.05","0.02","1080.3","0.4","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","1","0.5","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0285","0.0207","","0.0674","0.0508","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003704","11.069","0.002","14.426","0.003","16.561","0.004","81.64","0.02","105.19","0.02","94.05","0.02","2523.5","1","293","2","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C59 H51 O4 P4 Rh -","- C59 H51 O4 P4 Rh -","- C118 H102 O8 P8 Rh2 -","2","1","MU1160","Smit, D. M. C.; Basson, S. S.; Roodt, A.; Steynberg, E. C.","Carbonyl-κ<i>C</i>-[tris(diphenylphosphinoyl)methanido-κ^2^<i>O</i>,<i>O</i>'][tris(<i>o</i>-tolyl)phosphine-κ<i>P</i>]rhodium(I), [Rh(C{P(O)Ph~2~}~3~)(CO){P(<i>o</i>-Tol)~3~}]","Acta Crystallographica Section C","1995","51","7","1278","1280","10.1107/S0108270195000515","","","1.5418","CuKα","","0.0359","0.0359","","0.0973","0.0973","","","","1.044","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003705","9.083","0.006","31.918","0.002","8.594","0.003","90","","93.1","0.2","90","","2487.9","1.9","293","","","","","","","","","","crystallization from the original solution","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cu9 N24 Se6 -","- C24 H48 Cu9 N24 Se6 -","- C48 H96 Cu18 N48 Se12 -","2","0.5","NA1103","Vrábel, V.; Kellö, E.; Garaj, J.; Lokaj, J.","Tris[bis(ethylenediamine)copper(II)] Poly[hexakis(μ-cyano)hexakis(μ-selenocyanato)hexacopper(I)], [Cu^II^en~2~]~3~[Cu^I^~6~(CN)~6~(SeCN)~6~]","Acta Crystallographica Section C","1995","51","7","1286","1288","10.1107/S0108270194014976","","","1.54178","CuKα","","","0.03","","","0.034","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003706","5.333","0.0004","5.633","0.0006","21.203","0.003","90","","90","","90","","636.95","0.12","293","","293","","","","","","","","Norwich Eaton Pharmaceuticals, Inc. (Norwich, New York)","4","P 21 21 21","P 2ac 2ab","19","","5-nitro-2-aldoxime","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C20 H16 N8 O16 -","4","1","NA1116","Olszak, T. A.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1304","1306","10.1107/S0108270194008425","","","0.71069","MoKα","","0.0371","0.0255","","0.0719","0.0685","","","","1.035","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003707","6.504","0.002","13.121","0.002","22.192","0.002","90","","92.37","0.02","90","","1892.2","0.7","295","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-3-etoxycarbonyl- 2-methyl-pyrrole","","- C20 H16 Cl3 N O2 -","- C20 H16 Cl3 N O2 -","- C80 H64 Cl12 N4 O8 -","4","1","NA1117","Bachechi, F.; Gavuzzo, E.; Cerreto, F.; Scalzo, M.","A 1,5-Diarylpyrrole Derivative","Acta Crystallographica Section C","1995","51","7","1431","1434","10.1107/S0108270195000734","","","1.54178","CuKα","","","0.048","","","0.064","","","","","2.36","2.36","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003708","8.653","0.001","11.418","0.005","18.018","0.002","90","","90","","90","","1780.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aRS,9aSR,9bSR)-Octahydro-1H-furo[3',4':4,5]isoxazolo[2,3-a] pyridin-1-one.","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0702","0.0378","","0.1182","0.0968","","","","1.075","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003709","6.765","0.003","8.93","0.002","16.166","0.005","90","","90","","90","","976.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aRS,10aRS,10bRS)-Octahydro-1H,3H-pyrano[3',4':4,5]isoxazolo[2,3-a]pyridin- 1-one.","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0373","0.0281","","0.0779","0.0719","","","","1.088","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003710","6.0456","0.0007","16.735","0.003","10.786","0.002","90","","98.84","0.01","90","","1078.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5aRS,11aRS,11bRS)-Decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0538","0.0367","","0.1005","0.0879","","","","1.089","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003711","6.755","0.005","7.068","0.007","40.62","0.05","90","","90","","90","","1939","3","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 S -","- C19 H30 O5 S -","- C76 H120 O20 S4 -","4","1","NA1130","Adams, H.; Bailey, N. A.; Jones, D. N.; Aversa, M. C.; Bonaccorsi, P.; Giannetto, P.","An Enantiopure Isobornylsulfinylcyclohexene Derivative, C~19~H~30~O~5~S","Acta Crystallographica Section C","1995","51","7","1357","1359","10.1107/S0108270195000746","","","0.71073","MoKα","","","0.0766","","","0.0773","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003712","3.851","0.001","15.077","0.002","9.99","0.002","90","","95.2","0.1","90","","577.6","0.2","295","2","","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Br2 Cl2 Cu N4 -","- C6 H6 Br2 Cl2 Cu N4 -","- C12 H12 Br4 Cl4 Cu2 N8 -","2","0.5","NA1136","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(4-bromopyrazole)dichlorocopper(II)","Acta Crystallographica Section C","1995","51","7","1293","1295","10.1107/S0108270195000163","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.71","0.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003713","9.973","0.001","17.101","0.002","25.496","0.003","90","","90","","90","","4348.3","0.8","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P c a b","-P 2bc 2ac","61","","4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)- 1-methylpiperidinium hydrogen malate","","- C23 H27 N O5 S -","- C27 H32 N O10 S -","- C216 H256 N8 O80 S8 -","8","1","NA1139","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate","Acta Crystallographica Section C","1995","51","7","1435","1438","10.1107/S0108270194015088","","","1.54184","CuKα","","0.1952","0.0561","","0.1411","0.0909","","","","1.136","1.415","1.415","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003714","30.328","0.003","15.279","0.002","12.499","0.004","90","","90","","90","","5792","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one","","- C30 H30 N6 O3 S -","- C30 H30 N6 O3 S -","- C240 H240 N48 O24 S8 -","8","1","NA1145","Destro, R.; Soave, R.","A New Non-Peptide Angiotensin II Receptor Antagonist","Acta Crystallographica Section C","1995","51","7","1383","1385","10.1107/S0108270195000722","","","0.71073","MoKα","","0.2153","0.0777","","0.153","0.1281","","","","0.903","1.279","1.279","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003715","12.044","0.007","12.461","0.007","13.73","0.008","104.33","0.03","94.47","0.03","101","0.03","1943","2","293","","293","","","","","","","","synth\`ese","5","P -1","-P 1","2","","1,7-diéthoxycarbonyl-3a-méthyl-4a-phényl- 3,5-diparanitrophényl-3a,4,4a,5-tétrahydro-3H-bis[1,2,4] triazolo[4,3-a:3',4'-d][1,5]benzodiazépine","","- C37 H33 Cl3 N8 O8 -","- C37 H33 Cl3 N8 O8 -","- C74 H66 Cl6 N16 O16 -","2","1","PA1151","Chiaroni, A.; Riche, C.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Lavergne, J.-P.","1,7-Bis(éthoxycarbonyl)-3a-méthyl-4a-phényl-3,5-bis(<i>p</i>-nitrophényl)-3a,4,4a,5-tétrahydro-3<i>H</i>-bis-[1,2,4]triazolo[4,3-<i>a</i>:3',4'-<i>d</i>][1,5]benzodiazépine, C~36~H~32~N~8~O~8~.CHCl~3~","Acta Crystallographica Section C","1995","51","7","1352","1355","10.1107/S0108270194014113","","","0.7107","MoKα","","","0.088","","","0.111","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003716","9.891","0.002","6.492","0.001","14.84","0.002","90","","90","","90","","952.9","0.3","293","","","","","","","","","","produit Aldrich, recristallis\'e en refroidissant \`a 253 K","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C24 H40 N24 O16 -","8","1","PA1153","Tenon, J. A.; Carles, M.; Aycard, J.-P.","4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)","Acta Crystallographica Section C","1995","51","7","1440","1442","10.1107/S0108270195000199","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003717","7.244","0.005","14.863","0.008","27.308","0.012","90","","90","","90","","2940","3","293","","293","","","","","","","","from chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-6-methoxy-3-propylsulfonyl-2-(2,2,2',2'-tetramethyl-[4,4'] bi{[1,3]dioxolanyl}-5-yl)-1-aza-bicyclo[3.2.0]heptane-7-one","","- C27 H39 N O8 S -","- C30 H46 N O8 S -","- C120 H184 N4 O32 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.068","","","0.093","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003718","10.136","0.006","10.136","0.006","25.026","0.012","90","","90","","90","","2571","2","293","","293","","","","","","","","from chemical synthesis","5","P 41","P 4w","76","","3-ethylsulfuryl-4-furan-2-yl-methyl-6-methoxy-2- (2,2,2',2'-tetramethyl-[4,4']bi[[1,3] dioxolanyl]-5-yl) -1-aza-bicyclo[3.2.0] heptane-7-one","","- C24 H35 N O7 S -","- C26 H40 N O7 S -","- C104 H160 N4 O28 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.048","","","0.052","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003719","7.304","0.001","15.437","0.003","10.65","0.004","90","","109.47","0.01","90","","1132.1","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carnidazole","O-Methyl[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate","","- C8 H12 N4 O3 S -","- C8 H12 N4 O3 S -","- C32 H48 N16 O12 S4 -","4","1","PA1156","Bernardinelli, G.; Berclaz, T.; Geoffroy, M.; Rajalakshmi, N.","Anhydrous Form of Carnidazole, C~8~H~12~N~4~O~3~S","Acta Crystallographica Section C","1995","51","7","1390","1392","10.1107/S0108270195000217","","","0.7093","MoKα","","0.138","0.067","","0.056","0.032","","","","3.06","2","2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003720","9.8098","0.0005","16.5788","0.001","19.1759","0.0008","90","","90","","90","","3118.7","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","3","P c a b","-P 2bc 2ac","61","","11-(4-methylpiperazin-1-yl)-5H-pyrido[4,3-b][1,5]benzodiazepine","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","1","PA1158","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","11-(4-Methylpiperazin-1-yl)-5<i>H</i>-pyrido[4,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1995","51","7","1379","1381","10.1107/S0108270194014459","","","1.5418","CuKα","","0.0534","0.037","","0.1154","0.1027","","","","1.095","1.224","1.224","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003721","15.749","0.004","14.283","0.006","19.01","0.005","90","","90.35","0.02","90","","4276","2","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 F6 O21 S2 U -","- C30 H40 F6 O21 S2 U -","- C120 H160 F24 O84 S8 U4 -","4","1","PA1160","Thuéry, P.; Nierlich, M.; Keller, N.; Lance, M.; Vigner, J.-D.","A Complex Between Uranyl Trifluoromethanesulfonate Hydrate and Benzo-15-crown-5","Acta Crystallographica Section C","1995","51","7","1300","1302","10.1107/S0108270195000138","","","0.71073","MoKα","","","0.04","","","0.05","","","","","2.02","2.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003722","4.842","0.002","16.848","0.004","13.489","0.003","90","","90.56","0.02","90","","1100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methyl 3,5-nitro-trans-cinnamate","","","- C10 H8 N2 O6 -","- C10 H8 N2 O6 -","- C40 H32 N8 O24 -","4","1","SE1059","Sharma, C. V. K.; Panneerselvam, K.; Desiraju, G. R.; Pilati, T.","Methyl 3,5-Dinitro-<i>trans</i>-cinnamate","Acta Crystallographica Section C","1995","51","7","1364","1366","10.1107/S010827019500237X","","","0.71069","MoKα","","0.0938","0.0476","","0.1295","0.1175","","","","0.998","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003723","5.743","0.001","13.036","0.002","8.431","0.003","90","","103.66","0.02","90","","613.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-Glutamic acid","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C20 H36 N4 O16 -","4","1","SE1069","Dunitz, J. D.; Schweizer, W. B.","Anhydrous <small>DL</small>-Glutamic Acid","Acta Crystallographica Section C","1995","51","7","1377","1379","10.1107/S0108270195001648","","","0.71069","MoKα","","0.1022","0.038","","0.1563","0.1132","","","","1.22","1.195","1.195","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003724","43.851","0.008","9.588","0.001","8.788","0.002","90","","90","","90","","3694.9","1.1","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","sodium cyclododecanephosphonic acid monoethylester trihydrate","","- C14 H34 Na O6 P -","- C14 H34 Na O6 P -","- C112 H272 Na8 O48 P8 -","8","1","SE1077","Rudert, R.; Czichocki, G.; Weiland, B.; Vollhardt, D.","Sodium Cyclododecylphosphonic Acid Monoethyl Ester Trihydrate","Acta Crystallographica Section C","1995","51","7","1252","1254","10.1107/S0108270195000412","","","1.54184","CuKα","","","0.06","","","0.069","","","","","2.518","2.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003725","18.959","0.003","13.339","0.003","19.684","0.002","90","","90","","90","","4978","1.5","297","","","","","","","","","","Acetone","3","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C256 H160 O48 -","16","2","TA1003","Yoon, M.; Kim, Y. H.; Cho, D. W.; Suh, I.-H.; Lee, J.-H.; Ryu, B.-Y.; Park, J.-R.","2,3-Diphenylmaleic Anhydride, an Analogue of <i>cis</i>-Stilbene","Acta Crystallographica Section C","1995","51","7","1374","1377","10.1107/S0108270194013892","","","0.71069","MoKα","","","0.0657","","","0.0657","","","","","3.0897","3.0897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003726","7.572","0.001","13.25","0.002","17.376","0.002","90","","90","","90","","1743.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","VJ1011","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Sarma, B. V. N. B. S.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). III. 3,3-Ethylenedioxy-5(10),9(11)-estradien-17-one","Acta Crystallographica Section C","1995","51","7","1327","1330","10.1107/S010827019401468X","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003727","5.083","0.002","15.551","0.006","13.647","0.005","90","","98.94","0.03","90","","1065.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.045","","","0.057","","","","","3.16","3.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003728","9.876","0.003","10.325","0.004","3.87","0.008","93.86","0.02","97.61","0.02","103.52","0.03","378.3","0.8","293","","","","","","","","","","Recrystallized from ethanol","4","P -1","-P 1","2","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C16 H12 N4 O4 -","2","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.064","","","0.067","","","","","1.19","1.19","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003729","7.08","0.002","14.245","0.001","12.072","0.003","90","","95.86","0.02","90","","1211.2","0.5","294","","","","","","","","","","recrystallization from methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl N4 O -","- C13 H9 Cl N4 O -","- C52 H36 Cl4 N16 O4 -","4","1","AB1133","Wang, X.; Wang, W.; Liu, H.-X.; Tan, M.-Y.; Li, M.","A Derivative of 1,3,4-Oxadiazole","Acta Crystallographica Section C","1995","51","8","1585","1587","10.1107/S010827019400510X","","","1.5418","CuKα","","","0.052","","","0.068","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003730","14.3658","0.0012","11.0537","0.0006","19.3767","0.0007","90","","128.707","0.005","90","","2401.1","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[C,O-(2-acetylbicyclohept[2.2.1]-3-yl)palladium(II)(2,2'-bipyridyl)] trifluoromethanesulfonate 0.5 diethylether solvate","","- C44 H52 F6 N4 O9 Pd2 S2 -","- C22 H26 F3 N2 O4.5 Pd S -","- C88 H104 F12 N8 O18 Pd4 S4 -","4","1","AB1183","Spek, A. L.; Markies, B. A.; Kruis, D.; Boersma, J.; van Koten, G.","(2-Acetylbicyclo[2.2.1]heptyl-<i>C</i>^3^,<i>O</i>)(2,2'-bipyridyl)palladium(II) Trifluoromethanesulfonate 0.5-Diethyl Ether Solvate","Acta Crystallographica Section C","1995","51","8","1535","1537","10.1107/S0108270194004245","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003731","8.14","0.002","9.672","0.003","27.079","0.004","90","","94.26","0.02","90","","2126","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 N2 O14 Zn2 -","- C15 H14 N2 O14 Zn2 -","- C60 H56 N8 O56 Zn8 -","4","1","AB1187","Hernandez-Padilla, M.; Dominguez, S.; Mederos, A.; Arrieta, J. M.","Tetraaqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)dizinc(II)‒Water (1/2)","Acta Crystallographica Section C","1995","51","8","1549","1552","10.1107/S0108270195000758","","","0.71069","MoKα","","","0.0526","","","0.0571","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003732","9.776","0.002","10.74","0.002","15.135","0.003","71.69","0.02","87.93","0.02","63.48","0.02","1339.7","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br4 Cd N4 O4 -","- C22 H18 Br4 Cd N4 O4 -","- C44 H36 Br8 Cd2 N8 O8 -","2","1","AB1188","Ravikumar, K.; Venkata Lakshmi, N.; Swamy, G. Y. S. K.; Chandra Mohan, K.","Water-Bridged Molecular Adduct of Tetrabromocadmate(II) with Protonated Dafone (4,5-Diazafluoren-9-one), (C~11~H~7~N~2~O)~2~[CdBr~4~].2H~2~O","Acta Crystallographica Section C","1995","51","8","1556","1558","10.1107/S0108270194013867","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.913","0.913","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003733","8.234","0.004","7.678","0.005","15.345","0.008","90","","99.94","0.04","90","","955.6","0.9","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1-phenyl-4-nitroimidazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.0567","0.0364","","0.1214","0.1021","","","","1.069","1.188","1.188","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003734","8.259","0.002","7.805","0.002","16.774","0.003","90","","103.58","0.03","90","","1051","0.4","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-1-(p-methylphenyl)-4-nitroimidazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.1029","0.0466","","0.164","0.1369","","","","1.042","1.266","1.266","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003735","12.328","0.004","8.596","0.004","13.294","0.005","90","","97.21","0.03","90","","1397.6","1","295","","","","","","","","","","see text","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 N2 O8 S U -","- C9 N2 O8 S U -","- C36 N8 O32 S4 U4 -","4","1","AB1210","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(μ-sulfato)dioxouranium(VI)","Acta Crystallographica Section C","1995","51","8","1526","1529","10.1107/S0108270194014411","","","0.71073","MoKα","","","0.035","","","0.043","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003736","5.2983","0.0006","9.2529","0.0008","11.261","0.002","90","","101.85","0.014","90","","540.3","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","disilver-cis-butene-dicarboxylate","","- C4 H2 Ag2 O4 -","- C4 H2 Ag2 O4 -","- C16 H8 Ag8 O16 -","4","1","AB1232","Eriksson, L.; Kritikos, M.","Disilver <i>cis</i>-Butenedioate","Acta Crystallographica Section C","1995","51","8","1508","1510","10.1107/S0108270195000606","","","0.7106","MoKα","","0.0395","0.0234","","0.0543","0.0493","","","","1.055","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003737","10.471","0.005","16.433","0.005","11.426","0.004","90","","92.67","0.03","90","","1963.9","1.3","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Si Zr -","- C20 H26 Cl2 Si Zr -","- C80 H104 Cl8 Si4 Zr4 -","4","1","AB1236","Luttikhedde, H. J. G.; Leino, R. P.; Näsman, J. H.; Ahlgrén, M.; Pakkanen, T.","Racemic Dichloro{(<i>R</i>,<i>R</i>)-3,3'-(dimethylsilanediyl)bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-1-indenyl]}zirconium","Acta Crystallographica Section C","1995","51","8","1488","1490","10.1107/S0108270195000266","","","0.71073","MoKα","","","0.047","","","0.05","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003738","9.539","0.002","9.684","0.001","10.218","0.001","90","","106.26","0.01","90","","906.1","0.2","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N8 Ni2 S4 -","- C8 H12 N8 Ni2 S4 -","- C16 H24 N16 Ni4 S8 -","2","0.5","AB1237","Zhu, Y.; Lu, S.; Huang, X.; Wu, Q.; Yu, R.; Huang, J.","A Novel Nickel-Containing Chain-Like Polymer: [{Ni(NH~3~)~4~}Ni{S~2~C= C(CN)~2~}~2~]~{∞~}","Acta Crystallographica Section C","1995","51","8","1515","1517","10.1107/S010827019500182X","","","0.71073","MoKα","","","0.043","","","0.053","","","","","1.28","1.28","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003739","5.502","0.005","7.036","0.007","27.688","0.024","90","","93.57","0.07","90","","1069.8","1.7","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-ethyl 2-cyano-3-methylsulfinyl-3-methylthio propenoate","","- C8 H11 N O3 S2 -","- C8 H11 N O3 S2 -","- C32 H44 N4 O12 S8 -","4","1","AB1239","Singh, S. K.; Kumar, N.; Kumar, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","(<i>Z</i>)-Ethyl 2-Cyano-3-methylsulfinyl-3-methylthiopropenoate","Acta Crystallographica Section C","1995","51","8","1630","1632","10.1107/S0108270195002538","","","0.71073","MoKα","","0.0582","0.0398","","0.1062","0.0937","","","","1.031","1.057","1.057","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003740","12.43","0.003","7.601","0.002","15.219","0.005","90","","108.1","0.04","90","","1366.7","0.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenyl(N-carboxymethyl)glycinato-O,O',N]copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","AB1241","Hidalgo, M. A.; Romero, J.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","Diaqua[<i>N</i>-(2-ethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1512","1514","10.1107/S0108270195002009","","","0.71069","MoKα","","0.0333","0.0315","","0.0391","0.0385","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003741","9.9342","0.0008","13.0495","0.0013","15.3141","0.0014","96.612","0.0009","102.291","0.001","105.039","0.008","1842.5","0.3","291","1","293","","","","","","","","synthesised by the authors","9","P -1","-P 1","2","","closo-[(3-tert-Butylisocyanide)-3,8-bis(dimethylphenylphosphine)- octahydro-1,2-diarsenanonaborato(1-)-3-palladium(II)(1+)] Hexafluoroantimonate","","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C42 H78 As4 B18 F12 N2 P4 Pd2 Sb2 -","2","1","AB1248","Ferguson, G.; Li, Y.; Spalding, T. R.; Patterson, J. C.","(3-<i>tert</i>-Butyl isocyanide)-3,8-bis(dimethylphenylphosphine)octahydro-1,2-diarsa-3-pallada-<i>closo</i>-dodecaboron(1+) Hexafluoroantimonate","Acta Crystallographica Section C","1995","51","8","1498","1500","10.1107/S0108270195002198","","","0.7107","MolybdenumKα","","0.0899","0.043","","0.1176","0.1071","","","","1.026","1.216","1.216","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003742","5.824","0.006","23.038","0.003","10.589","0.005","90","","103.59","0.05","90","","1381","1.6","293.2","","293.2","","","","","","","","synthesized by authors","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O4 S2 -","- C13 H12 O4 S2 -","- C52 H48 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.033","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003743","8.215","0.001","10.234","0.001","18.589","0.001","90","","93.72","0.01","90","","1559.5","0.3","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br2 O4 S2 -","- C13 H10 Br2 O4 S2 -","- C52 H40 Br8 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.029","","","0.03","","","","","2.86","2.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003744","12.759","0.001","10.027","0.001","14","0.001","90","","90","","90","","1791.1","0.3","293","1","293","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Imino-1,4,4-triphenylimidazolidin-2-one","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","AB1252","Kopf, J.; Heuer, J. R. P.; Schweim, H. G.","5-Imino-1,4,4-triphenylimidazolidin-2-one: an Imidazolidine with an Exocyclic Imino Group","Acta Crystallographica Section C","1995","51","8","1583","1585","10.1107/S0108270195002630","","","1.54178","CuKα","","0.033","0.0328","","0.0924","0.0919","","","","1.033","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003745","8.2971","0.0011","10.0909","0.0013","13.863","0.004","78.33","0.014","86.203","0.014","87.326","0.008","1133.5","0.4","293","","294","","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","Di-μ-bromo-3:3'κ^4^Br-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azonia prop-2-en-1-yl-3κS:8κC^1^)-1,2-dicarba-3-rhodadodecaborane].","","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","1","0.5","AB1253","Ferguson, G.; Spalding, T. R.; McEneaney, P. A.","Di-μ-bromo-3:3'κ^4^<i>Br</i>-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azoniaprop-2-en-1-yl-3κ<i>S</i>:8κ<i>C</i>^1^)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane], a Novel Dimeric Metallacarborane Containing a Rh~2~Br~2~ Bridging Section and the {‒SC(NHPh)‒N(Ph)CH~2~‒} Ligand","Acta Crystallographica Section C","1995","51","8","1501","1503","10.1107/S0108270195002101","","","0.7107","MolybdenumKα","","0.06","0.027","","0.038","0.033","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003746","78.98","0.04","5.836","0.003","43.68","0.02","90","","96.89","0.03","90","","19988","17","170","","","","","","","","","","GE speciality chemicals","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 O6 P2 -","- C33 H50 O6 P2 -","- C792 H1200 O144 P48 -","24","3","AS1091","Barren, J. P.; Bryant, G. L.; Garbauskas, M. F.; Mahood, J. A.","Bis(2,4-di-<i>tert</i>-butylphenyl) Pentaerythritol Diphosphite","Acta Crystallographica Section C","1995","51","8","1636","1639","10.1107/S0108270195000965","","","1.54178","CuKα","","0.0553","0.0423","","0.1185","0.1099","","","","","1.185","1.185","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003747","13.3863","0.0009","13.5141","0.0007","24.227","0.002","90","","90","","90","","4382.8","0.5","298","3","","","","","","","","","","6","C c m 21","C 2c -2c","36","","","","- C12 H32 Cl2 N6 Ni O8 -","- C12 H32 Cl2 N6 Ni O8 -","- C96 H256 Cl16 N48 Ni8 O64 -","8","1","AS1130","Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Lai, C.-Y.; Chi, T.-Y.; Chung, C.-S.","(Ethylenediamine-<i>N</i>,<i>N</i>')(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","8","1531","1533","10.1107/S0108270195001223","","","0.71073","MoKα","","","0.045","","","0.064","","","","","1.4","1.4","","","","","has coordinates","190662","2020-10-21","18:00:00",""
"2003748","8.582","0.003","9.702","0.002","15.004","0.004","93.75","0.02","98","0.03","114.38","0.02","1116.3","0.6","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 N5 O11 S4 -","- C16 H9 N5 O11 S4 -","- C32 H18 N10 O22 S8 -","2","1","AS1133","Yu, W.-T.; Fang, Q.; Xu, D.; Jiang, M.-H.; Lei, H.","4,5-Bis(2,4-dinitrophenylthio)-1,3-dithiol-2-one Nitromethane Solvate (BNPT-DTO.CH~3~NO~2~)","Acta Crystallographica Section C","1995","51","8","1602","1604","10.1107/S0108270195001429","","","0.71073","MoKα","","","0.0466","","","0.0466","","","","","0.973","0.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003749","8.153","0.001","8.482","0.001","20.638","0.002","90","","92.45","0.01","90","","1425.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3(2-tolyl)thiourea","","- C14 H20 N2 S -","- C14 H20 N2 S -","- C56 H80 N8 S4 -","4","1","AS1160","Akilan, R.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-(2-tolyl)thiourea","Acta Crystallographica Section C","1995","51","8","1627","1629","10.1107/S0108270195001211","","","0.71073","MoKα","","0.0571","0.0383","","0.1145","0.1065","","","","0.95","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003750","7.996","0.003","20.077","0.002","7.733","0.002","90","","90","","90","","1241.4","0.6","269","","","","","","","","","","Crystallised from methanol solution","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 I N O4 -","- C10 H14 I N O4 -","- C40 H56 I4 N4 O16 -","4","1","AS1168","Okabe, N.; Suga, T.","3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)","Acta Crystallographica Section C","1995","51","8","1700","1701","10.1107/S010827019500271X","","","0.71069","MoKα","","","0.027","","","0.036","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003751","14.212","0.003","17.39","0.004","14.84","0.001","90","","96.1","0.01","90","","3646.9","1.2","193","","","","","","","","","","THF/heptane","6","P 1 21/a 1","-P 2yab","","","","","- C46 H28 F3 Fe N4 O2 -","- C46.57 H28 F1.71 Fe N4 O3 -","- C186.28 H112 F6.84 Fe4 N16 O12 -","4","1","BK0001","Moy, S. A.; González, J. A.; Wilson, L. J.","Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]","Acta Crystallographica Section C","1995","51","8","1490","1494","10.1107/S010827019401334X","","","0.71073","MoKα","","","0.064","","","0.083","","","","","1.95","1.95","","","","","has coordinates","192016","2020-10-21","18:00:00",""
"2003752","7.609","0.002","7.587","0.002","9.414","0.002","90","","105.24","0.03","90","","524.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Methylimidazolium D-Tartrate","1-Methylimidazolium D-Tartrate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","1","BK1056","Fuller, J.","The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate","Acta Crystallographica Section C","1995","51","8","1680","1683","10.1107/S0108270195002514","","","0.71073","MoKα","","0.0584","0.0435","","0.1245","0.1095","","","","1.07","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003753","10.259","0.003","12.016","0.004","8.42","0.003","93.23","0.03","96.52","0.03","78.22","0.02","1008.9","0.6","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Ni P2 S2 -","- C36 Ni P2 S2 -","- C36 Ni P2 S2 -","1","0.5","BK1083","Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.","Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]","Acta Crystallographica Section C","1995","51","8","1552","1554","10.1107/S0108270194014940","","","0.71073","MoKα","","","0.05","","","0.063","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003754","13.401","0.002","13.5794","0.001","8.695","0.001","90","0.01","90","0.01","90","0.01","1582.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane","","- C12 H26 B3 Cl Ru -","- C12 H26 B3 Cl Ru -","- C48 H104 B12 Cl4 Ru4 -","4","1","BK1106","Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.","<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)","Acta Crystallographica Section C","1995","51","8","1503","1505","10.1107/S0108270195001272","","","0.71073","MoKα","","0.0353","0.0253","","0.0796","0.072","","","","1.023","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003755","7.312","0.003","8.349","0.004","10.358","0.002","98.82","0.03","96.98","0.03","114.7","0.04","555.4","0.4","297","","","","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitroanilino)cyclohex-2-en-1-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","BK1107","Huang, K.-S.; Britton, D.; Etter, M. C.","3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione","Acta Crystallographica Section C","1995","51","8","1661","1663","10.1107/S0108270195001740","","","0.71073","MoKα","","","0.062","","","0.079","","","","","2.15","2.15","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003756","9.8537","0.001","14.2586","0.0013","14.7465","0.0014","90","","90","","90","","2071.9","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","BK1114","Clegg, W.; Ranelli, M.; Jackson, R. F. W.","An Epoxyamide","Acta Crystallographica Section C","1995","51","8","1604","1606","10.1107/S0108270195001260","","","1.54184","CuKα","","0.0512","0.048","","0.151","0.1369","","","","1.04","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003757","14.454","0.002","6.305","0.0006","15.085","0.003","90","","112.03","0.02","90","","1274.4","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","? #Bis(pentafluorophenyl)boron Chloride","","- C12 B Cl F10 -","- C12 B Cl F10 -","- C48 B4 Cl4 F40 -","4","1","BK1115","Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J.","Bis(pentafluorophenyl)boron Chloride","Acta Crystallographica Section C","1995","51","8","1688","1689","10.1107/S0108270195002526","","","0.7107","MoKα","","0.066","0.035","","0.034","0.033","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003758","9.349","0.008","13.439","0.008","11.703","0.008","90","","108.16","0.03","90","","1397.1","1.8","293","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N8 S4 Zn2 -","- C28 H20 N8 S4 Zn2 -","- C56 H40 N16 S8 Zn4 -","2","0.5","BM0001","Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T.","A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand","Acta Crystallographica Section C","1995","51","8","1540","1543","10.1107/S0108270195001995","","","0.71073","MoKα","","","0.071","","","0.083","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003759","8.684","0.003","12.239","0.004","8.974","0.002","90","","93.91","0.02","90","","951.6","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0481","0.0368","","0.0363","0.0353","","","","","1.754","1.754","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003760","12.457","0.001","12.457","0.001","10.505","0.002","90","","90","","120","","1411.7","0.3","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C57 H87 N3 O9 S3 -","3","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0338","0.0295","","0.0297","0.0292","","","","","1.768","1.768","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003761","10.609","0.003","10.879","0.003","13.419","0.001","90","","100.14","0.01","90","","1524.6","0.6","173","1","173","1","","","","","","","(I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane.","5","P 1 21 1","P 2yb","4","","(-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol","","- C13 H27 N O3 S -","- C13 H27 N O3 S -","- C52 H108 N4 O12 S4 -","4","2","BM1004","Linden, A.; Stanchev, S.","Absolute Configuration of a Substituted Cyclohexanol","Acta Crystallographica Section C","1995","51","8","1694","1696","10.1107/S0108270195002368","","","0.71069","MoKα","","0.0448","0.0335","","0.0318","0.0309","","","","","1.705","1.705","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003762","9.415","0.001","9.415","0.001","7.078","0.001","90","","90","","120","","543.35","0.11","298","","298","","","","","","","","","3","P -6 2 m","P -6 -2","189","","σ-Dibarium Diphosphate","","- Ba2 O7 P2 -","- Ba2 O9 P2 -","- Ba6 O27 P6 -","3","0.25","BR1095","ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M.","σ-Dibarium Pyrophosphate","Acta Crystallographica Section C","1995","51","8","1478","1480","10.1107/S0108270195001739","","","0.71073","MoKα","","","0.0254","","","0.0333","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003763","7.786","0.002","8.984","0.003","11.696","0.004","108.21","0.02","95.13","0.02","109.79","0.02","713.6","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl4 Cu N3 -","- C10 H11 Cl4 Cu N3 -","- C20 H22 Cl8 Cu2 N6 -","2","1","CR1092","Willett, R. D.","2,2'-Iminodipyridinium Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1517","1519","10.1107/S0108270195002149","","","1.54178","CuKα","","","0.064","","","0.109","","","","","1.74","1.74","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003764","9.5781","0.0008","16.3763","0.0018","17.4396","0.0014","90","","90","","90","","2735.5","0.4","295","","","","","","","","","","","3","F d d d","-F 2uv 2vw","","","","","- C12 F14 O2 -","- C1.5 F1.5 O0.5 -","- C12 F12 O4 -","8","","CR1096","Baenziger, N. C.; Burton, D. J.; Tortelli, V.","2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride","Acta Crystallographica Section C","1995","51","8","1663","1665","10.1107/S0108270195002125","","","1.5418","CuKα","","","0.051","","","0.087","","","","","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003765","11.011","0.002","11.395","0.002","11.491","0.002","114.5","0.2","101.8","0.1","93.3","0.2","1268","2","296","","","","","","","","","","Recrystallized","3","P -1","-P 1","2","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","CR1131","Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.","(±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione","Acta Crystallographica Section C","1995","51","8","1712","1714","10.1107/S0108270195000850","","","1.5418","CuKα","","","0.069","","","0.068","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003766","7.853","0.003","11.025","0.001","22.708","0.005","90","","95.96","0.01","90","","1955.4","0.9","296","","","","","","","","","","Recrystallized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl5 N O2 -","- C19 H10 Cl5 N O2 -","- C76 H40 Cl20 N4 O8 -","4","1","CR1132","Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.","2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate","Acta Crystallographica Section C","1995","51","8","1709","1711","10.1107/S0108270195001247","","","0.7107","MoKα","","","0.05","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003767","13.663","0.004","15.342","0.003","23.557","0.005","90","","97.64","0.03","90","","4894","2","298","","","","","","","","","","MeOH evaporation","5","P 1 21 1","P 2yb","4","","","","- C42 H68 Br N5 O12 -","- C42 H68 Br N5 O12 -","- C168 H272 Br4 N20 O48 -","4","2","CR1144","Mayer, S. C.; Carroll, P. J.; Joullié, M. M.","The Cyclic Depsipeptide Backbone of the Didemnins","Acta Crystallographica Section C","1995","51","8","1609","1614","10.1107/S0108270194013405","","","1.54184","CuKα","","","0.065","","","0.077","","","","","2.49","2.49","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2003768","6.8102","0.0014","9.8841","0.0018","11.2926","0.0018","74.487","0.016","77.343","0.015","83.58","0.023","713.5","0.2","278","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N4 O3 -","- C12 H17 Cl N4 O3 -","- C24 H34 Cl2 N8 O6 -","2","1","CR1154","Brownstein, S. K.; Enright, G. D.","2,3-Diamino-5-hydrophenazinium Chloride Trihydrate","Acta Crystallographica Section C","1995","51","8","1579","1581","10.1107/S010827019500103X","","","1.54056","CuKα","","","0.06","","","0.07","","","","","2.3","2.3","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2003769","5.9355","0.0006","11.258","0.001","13.7293","0.0007","113.667","0.006","98.617","0.007","91.947","0.008","826.27","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N4 O4 S3 -","- C10 H18 N4 O4 S3 -","- C20 H36 N8 O8 S6 -","2","1","CR1160","Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.","Thiodicarb","Acta Crystallographica Section C","1995","51","8","1619","1621","10.1107/S0108270195000795","","","1.54178","CuKα","","","0.037","","","0.05","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003770","7.182","0.001","8.947","0.001","18.277","0.002","90","","91.89","0.01","90","","1173.8","0.2","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O4 -","- C10 H16 N3 O4 -","- C40 H64 N12 O16 -","4","1","CR1161","Abboud, K. A.; Summers, S. P.; Palenik, G. J.","Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex","Acta Crystallographica Section C","1995","51","8","1707","1709","10.1107/S0108270195002113","","","0.71073","MoKα","","","0.042","","","0.041","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003771","5.21","0.002","9.527","0.003","16.524","0.006","90","","90","","90","","820.2","0.5","295","","","","","","","","","","crystallized from CH~3~CN","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 I N S2 -","- C6 H4 I N S2 -","- C24 H16 I4 N4 S8 -","4","1","CR1162","Oakley, R. T.; von Spence, R. E.; Richardson, J. F.","Benzo-1,3,2-dithiazolium Iodide","Acta Crystallographica Section C","1995","51","8","1654","1655","10.1107/S0108270195000862","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003772","9.288","0.002","10.809","0.002","13.379","0.002","90","","100.91","0.01","90","","1318.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrachlorophenyl","","","- C12 H5 Cl4 N S -","- C12 H5 Cl4 N S -","- C48 H20 Cl16 N4 S4 -","4","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.058","0.043","","0.131","0.114","","","","1.036","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003773","7.681","0.002","8.78","0.002","12.761","0.003","100.24","0.02","99.65","0.02","108.39","0.02","780.2","0.4","293","2","230","2","","","","","","","","5","P -1","-P 1","2","pentachlorophenyl","","","- C15 H8 Cl5 N O -","- C15 H8 Cl5 N O -","- C30 H16 Cl10 N2 O2 -","2","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.144","0.056","","0.105","0.075","","","","1.016","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003774","9.2037","0.0006","11.114","0.002","30.012","0.005","90","","90","","90","","3069.9","0.8","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Mo8 O14 Pr -","- Mo8 O14 Pr -","- Mo96 O168 Pr12 -","12","1.5","DU1118","Kerihuel, G.; Gougeon, P.","PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","8","1475","1478","10.1107/S0108270195002423","","","0.71073","MoKα","","","0.042","","","0.044","","","","","1.649","1.649","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003775","12.884","0.005","13.675","0.006","9.844","0.006","104.77","0.04","111.99","0.03","73.95","0.04","1523.1","1.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 B N6 O2 Zn -","- C34 H27 B N6 O2 Zn -","- C68 H54 B2 N12 O4 Zn2 -","2","1","FG1030","Kawabata, S.; Nakata, K.; Ichikawa, K.","Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","8","1554","1556","10.1107/S0108270195001302","","","1.54184","CuKα","","","0.051","","","0.083","","","","","2.38","2.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003776","12.0905","0.0015","12.0619","0.0013","13.97","0.002","89.416","0.008","81.601","0.008","75.202","0.008","1947.8","0.4","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane","","- C36 H40 B10 Cu2 P2 Se -","- C36 H40 B10 Cu2 P2 Se -","- C72 H80 B20 Cu4 P4 Se2 -","2","1","FG1040","Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.","<i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)","Acta Crystallographica Section C","1995","51","8","1496","1498","10.1107/S0108270194012011","","","0.71069","MoKα","","0.0307","0.0246","","0.067","0.0641","","","","1.09","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003777","14.383","0.004","9.579","0.002","20.122","0.005","90","","90","","90","","2772.3","1.2","293","2","293","2","","","","","","","moved to publ/section/exptl/prep","3","P b c a","-P 2ac 2ab","61","","(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","FG1057","Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.","(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone","Acta Crystallographica Section C","1995","51","8","1641","1643","10.1107/S0108270195001107","","","1.54178","CuKα","","0.0545","0.0478","","0.1427","0.1344","","","","1.081","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003778","8.502","0.002","21.675","0.013","8.741","0.003","90","","115.76","0.02","90","","1450.7","1.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1(R)-methyl-4(1'(R)-phenylethyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0559","0.0452","","0.1281","0.1194","","","","1.033","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003779","11.7871","0.0009","10.3877","0.0007","12.4807","0.0008","90","","102.276","0.006","90","","1493.21","0.18","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R),2',2'-trimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 -","- C16 H22 N2 -","- C64 H88 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0863","0.0435","","0.1226","0.1133","","","","1.035","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003780","12.852","0.006","10.605","0.005","12.331","0.006","90","","111.07","0.03","90","","1568.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R)-ethyl-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.1076","0.0486","","0.1433","0.1251","","","","1.054","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003781","6.35","0.005","10.954","0.008","21.118","0.018","90","","90","","90","","1469","2","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0691","0.0552","","0.1591","0.1379","","","","1.035","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003782","7.7357","0.0009","9.4583","0.001","11.0128","0.0013","102.929","0.008","101.797","0.006","100.792","0.005","745.48","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1(S)-methyl-4(1'(R)-methoxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C32 H44 N4 O2 -","2","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.037","0.0336","","0.0991","0.0925","","","","1.096","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003783","12.962","0.002","13.4604","0.0008","22.2464","0.0015","90","","90","","90","","3881.4","0.7","298","2","298","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C176 H192 N16 O16 -","8","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.046","0.0345","","0.0992","0.0938","","","","1.069","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003784","10.3302","0.0003","10.638","0.0002","9.7044","0.0002","90","","90","","90","","1066.44","0.04","293","","293","","","","","","","","Associated Octel Company Ltd","4","P 21 21 21","P 2ac 2ab","19","2,6-dichlorophenylguanidinium chloride","2,6-dichlorophenylguanidinium chloride","","- C7 H8 Cl3 N3 -","- C7 H8 Cl3 N3 -","- C28 H32 Cl12 N12 -","4","1","HA1140","Barker, J.; Powell, H. R.","2,6-Dichlorophenylguanidinium Chloride","Acta Crystallographica Section C","1995","51","8","1714","1716","10.1107/S0108270195002150","","","1.5418","CuKα","","0.0417","0.0405","","0.0432","0.0429","","","","","1.0991","1.0991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003786","10.828","0.006","16.339","0.003","15.034","0.006","90","","125.5","0.02","90","","2165.4","1.6","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl Cu N5 S -","- C25 H16 Cl Cu N5 S -","- C100 H64 Cl4 Cu4 N20 S4 -","4","1","HR1027","Parker, O. J.; Breneman, G. L.","<i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]","Acta Crystallographica Section C","1995","51","8","1529","1531","10.1107/S0108270194007109","","","0.71073","MoKα","","","0.043","","","0.046","","","","","1.26","1.26","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003787","12.384","0.002","7.684","0.002","15.739","0.003","90","","111.65","0.03","90","","1392","0.6","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-DIMETHYLPHENYL(CARBOXYMETHYL)GLYCINATOCOPPER(II)MONOAQUOMONOAMMIN.","","- C12 H18 Cu N2 O5 -","- C12 H18 Cu N2 O5 -","- C48 H72 Cu4 N8 O20 -","4","1","HR1039","Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","(Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1510","1512","10.1107/S0108270194015064","","","0.71069","MoKα","","0.2751","0.0387","","0.2601","0.0459","","","","","1.9165","1.9165","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003788","12.195","0.001","12.1952","","6.713","0.002","90","","90","","120","","864.6","0.3","293","","293","","","","","","","","The literature synthesis (Peringer, 1980) produced (1) in crystalline form","6","P -3","-P 3","147","","","","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","1","0.166667","HR1049","Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.","Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR","Acta Crystallographica Section C","1995","51","8","1547","1549","10.1107/S010827019500196X","","","1.5418","CuKalpha","","","0.036","","","0.046","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003789","9.534","0.004","14.283","0.004","24.02","0.005","90","","90","","90","","3270.9","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","oleandrin dihydrate","16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate","","- C32 H52 O11 -","- C32 H52 O11 -","- C128 H208 O44 -","4","1","HR1054","Panneerselvam, K.; Soriano-García, M.","16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate","Acta Crystallographica Section C","1995","51","8","1646","1648","10.1107/S0108270195002216","","","1.54178","CuKα","","0.0393","0.0383","","0.1044","0.1033","","","","1.109","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003790","11.679","0.001","11.31","0.001","7.847","0.001","90","","90","","90","","1036.51","0.18","238","5","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 O4 S -","- C8 H16 O4 S -","- C32 H64 O16 S4 -","4","1","HU1071","Hellier, D. G.; Motevalli, M.","5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide","Acta Crystallographica Section C","1995","51","8","1701","1703","10.1107/S0108270193012314","","","0.71069","MoKα","","0.0257","0.0248","","0.0574","0.057","","","","1.011","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003791","8.418","0.001","5.676","0.001","13.403","0.002","90","","94.81","0.01","90","","638.15","0.17","300","","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis-cupferronato copper(II)","bis-(N-nitroso-N-phenylhydroxylaminato) copper(II)","","- C12 H10 Cu N4 O4 -","- C12 H10 Cu N4 O4 -","- C24 H20 Cu2 N8 O8 -","2","0.5","HU1103","Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M.","Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1520","1522","10.1107/S0108270195002770","","","0.71069","MoKα","","0.0461","0.0292","","0.0632","0.0617","","","","2.308","2.558","2.558","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003792","9.148","0.002","11.461","0.002","10.22","0.002","90","","90.271","0.015","90","","1071.5","0.4","296","","","","","","","","","","Recrystallized from a CH~2~Cl~2~/acetone","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N4 Ni2 P4 -","- C14 H28 N4 Ni2 P4 -","- C28 H56 N8 Ni4 P8 -","2","0.5","HU1128","Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.","<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1533","1535","10.1107/S0108270194014733","","","0.71069","MoKα","","","0.029","","","0.033","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003793","17.473","0.003","10.926","0.002","16.163","0.003","90","","91.17","0.03","90","","3085","1","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N6 O8 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C120 H96 Cl8 N24 O32 Zn4 -","4","0.5","JZ1001","Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.","Tris(2,2'-bipyridine)zinc(II) Perchlorate","Acta Crystallographica Section C","1995","51","8","1545","1547","10.1107/S0108270195000321","","","0.71073","MoKα","","","0.047","","","0.0646","","","","","2.05","2.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003794","20.32","0.003","18.618","0.004","5.095","0.002","90","","90","","90","","1927.5","0.9","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","JZ1016","Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.","5-Amino-8-methyl-2-quinolone Monohydrate","Acta Crystallographica Section C","1995","51","8","1689","1691","10.1107/S0108270195001867","","","1.54184","CuKα","","","0.054","","","0.062","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003795","9.441","0.001","9.441","0.002","39.253","0.005","90","","90","","90","","3498.7","0.9","295","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","KA1093","Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.","17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime","Acta Crystallographica Section C","1995","51","8","1581","1583","10.1107/S0108270195001375","","","1.54184","CuKα","","","0.06","","","0.063","","","","","1.9","1.9","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003796","24.612","0.006","60.31","0.008","9.131","0.007","90","","90","","90","","13554","11","293","2","293","2","","","","","","","synthesis","4","F d d 2","F 2 -2d","43","Depogen","","","- C33 H43 N5 O9 -","- C33 H43 N5 O9 -","- C528 H688 N80 O144 -","16","1","KA1104","Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.","Depogen, a Haemorheological Agent","Acta Crystallographica Section C","1995","51","8","1587","1590","10.1107/S0108270195000709","","","1.5418","CuKα","","0.1266","0.0581","","0.2132","0.1556","","","","1.024","1.126","1.126","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003797","8.869","0.001","21.561","0.003","9.014","0.001","90","","98.33","0.02","90","","1705.5","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","KA1106","Główka, M. L.; Olubek, Z.; Olczak, A.","3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide","Acta Crystallographica Section C","1995","51","8","1639","1641","10.1107/S0108270195001776","","","1.54178","CuKα","","","0.039","","","0.062","","","","","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003798","5.522","0.005","19.389","0.017","8.208","0.006","90","","92.68","0.07","90","","877.8","1.3","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","","L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester","","- C18 H25 Br O2 -","- C18 H25 Br O2 -","- C36 H50 Br2 O4 -","2","1","KA1107","Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.","<small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester","Acta Crystallographica Section C","1995","51","8","1634","1636","10.1107/S0108270195001430","","","0.71073","MoKα","","0.0406","0.0292","","0.0401","0.0299","","","","","0.68","0.68","","","","","has coordinates","288531","2023-12-23","23:35:59",""
"2003799","7.032","0.001","7.443","0.001","19.574","0.004","90","","90","","90","","1024.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)pyridine-N-oxide","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0413","0.0398","","0.1164","0.1157","","","","1.098","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003800","10.677","0.002","7.75","0.001","13.961","0.003","90","","104.77","0.01","90","","1117.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-methoxyphenyl)-3-methylpyridine-1-oxide","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0444","0.0371","","0.1047","0.0981","","","","1.176","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003801","11.028","0.002","11.308","0.003","10.988","0.003","117.1","0.02","114.48","0.02","77.16","0.02","1109.2","0.5","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","1","0.5","KH1001","Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.","Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate","Acta Crystallographica Section C","1995","51","8","1565","1568","10.1107/S0108270194013752","","","0.71073","MoKα","","","0.03","","","0.033","","","","","1.39","1.39","","","","","has coordinates","208885","2020-10-21","18:00:00",""
"2003802","7.9455","0.0011","5.8831","0.0007","12.56","0.002","90","","100.822","0.011","90","","576.67","0.14","293","1","293","1","","","","","","","Lowe & Tsanaktsidis","3","P 1 21/c 1","-P 2ybc","14","","(1) Dimethyl 2-methylcubane-1,4-dicarboxylate","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","0.5","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0465","","0.1279","0.1233","","","","1.088","1.179","1.179","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003803","6.5835","0.0012","9.487","0.002","10.546","0.002","74.1","0.02","83.81","0.02","87.89","0.02","629.8","0.2","293","1","293","1","","","","","","","Cristiano & Tsanaktsidis","3","P -1","-P 1","2","","(2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0439","","0.133","0.1256","","","","1.064","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003804","10.527","0.003","12.163","0.003","12.653","0.005","107.36","0.03","104.31","0.03","108.6","0.02","1356.5","0.9","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","1","0.5","KH1024","Brooker, S.; Carter, B. M.","Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~","Acta Crystallographica Section C","1995","51","8","1522","1524","10.1107/S0108270195001363","","","0.71073","MoKα","","0.0807","0.045","","0.0966","0.0838","","","","1.052","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003805","8.128","0.003","10.174","0.003","11.191","0.004","115.19","0.03","97.27","0.03","105.55","0.03","775.4","0.6","298","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","1","0.5","LI1124","Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G.","<i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II)","Acta Crystallographica Section C","1995","51","8","1537","1540","10.1107/S0108270195000825","","","0.7107","MoKα","","","0.0389","","","0.0477","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003806","13.188","0.002","7.722","0.001","21.178","0.003","90","","90","","90","","2156.7","0.5","298","","","","","","","","","","prepared in the laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","LI1128","Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.","2-(4-Hydroxyphenyl)benzothiazole","Acta Crystallographica Section C","1995","51","8","1629","1630","10.1107/S0108270195002071","","","0.71069","MoKα","","","0.0371","","","0.0573","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003807","7.242","0.003","8.454","0.003","12.23","0.006","74.53","0.03","74.15","0.03","78.64","0.03","688","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Mono-[N-(3-aminopropyl)-1,3-propanediamine] diaquasulfatonickel(II) monohydrate","","- C6 H23 N3 Ni O7 S -","- C6 H23 N3 Ni O7 S -","- C12 H46 N6 Ni2 O14 S2 -","2","1","LI1131","Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N.","[<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~]","Acta Crystallographica Section C","1995","51","8","1543","1545","10.1107/S0108270195000813","","","0.71073","MoKα","","0.0329","0.0246","","0.0789","0.0579","","","","0.944","0.947","0.947","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003808","10.06","0.002","13.953","0.005","23.804","0.004","90","","95.27","0.01","90","","3327.2","1.5","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 La2 O16 -","- C24 H38 La2 O16 -","- C96 H152 La8 O64 -","4","0.5","MU1143","Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L.","<i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III)","Acta Crystallographica Section C","1995","51","8","1568","1570","10.1107/S0108270194013223","","","0.71073","MoKα","","","0.0471","","","0.056","","","","","5.991","5.991","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003809","25.64","0.005","8.4901","0.0008","17.662","0.002","90","","94.22","0.01","90","","3834.3","0.9","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cr2 O10 P2 -","- C39 H30 Cr2 O10 P2 -","- C156 H120 Cr8 O40 P8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.034","","","0.029","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003810","25.956","0.004","8.553","0.001","17.784","0.003","90","","94.04","0.01","90","","3938.3","1","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 O10 P2 W2 -","- C39 H30 O10 P2 W2 -","- C156 H120 O40 P8 W8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.028","","","0.026","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003811","11.002","0.006","8.857","0.004","12.246","0.005","90","","91.38","0.03","90","","1193","1","293","","","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 As I -","- C12 H10 As I -","- C48 H40 As4 I4 -","4","1","MU1163","Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.","Diphenylarsenic(III) Iodide","Acta Crystallographica Section C","1995","51","8","1632","1634","10.1107/S0108270195001466","","","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003812","19.656","0.003","35.939","0.002","12.149","0.002","90","","90","","90","","8582","2","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 La N2 Na O16 -","- C10 H16 La N2 Na O16 -","- C160 H256 La16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003813","19.543","0.005","35.683","0.008","12.142","0.005","90","","90","","90","","8467","5","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na Nd O16 -","- C10 N2 Na Nd O16 -","- C160 N32 Na16 Nd16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.025","","","0.031","","","","","1.56","1.56","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003814","19.46","0.003","35.583","0.003","12.127","0.003","90","","90","","90","","8397","3","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 Eu N2 Na O16 -","- C160 Eu16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.028","","","0.032","","","","","1.97","1.97","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003815","7.494","0.001","7.538","0.003","38.3","0.09","90","","90","","90","","2164","5","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54056","CuKα","","0.2612","0.0784","","0.327","0.2139","","","","0.904","1.236","1.236","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003816","17.224","0.003","17.224","0.003","7.416","0.002","90","","90","","90","","2200.1","0.8","293","2","293","2","","","","","","","chemical synthesis","5","P 43","P 4cw","78","","(1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.1211","0.0616","","0.1876","0.1527","","","","0.958","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003817","13.627","0.002","7.298","0.002","11.527","0.002","90","","108.16","0.01","90","","1089.3","0.4","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","(1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C42 H66 Cl2 N4 O4 -","2","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.072","0.0369","","0.0924","0.0831","","","","0.795","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003818","10.567","0.003","11.156","0.003","9.54","0.002","90","","95.42","0.04","90","","1119.6","0.5","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C24 H44 N12 O20 S8 -","4","1","MU1166","Kubiak, M.; Glowiak, T.; Raper, E. S.","(2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^}","Acta Crystallographica Section C","1995","51","8","1691","1693","10.1107/S010827019500148X","","","0.71069","MoKα","","","0.038","","","0.041","","","","","3.81","3.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003819","8.235","0.002","8.602","0.001","19.604","0.001","90","","90","","90","","1388.7","0.4","293","","","","","","","","","","synthesis and recrystallization","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl2 Cu N3 -","- C12 H17 Cl2 Cu N3 -","- C48 H68 Cl8 Cu4 N12 -","4","1","MU1170","Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.","Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)","Acta Crystallographica Section C","1995","51","8","1519","1520","10.1107/S010827019500223X","","","0.71073","MoKα","","","0.031","","","0.042","","","","","1.034","1.034","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003820","13.029","0.002","25.722","0.009","13.791","0.006","90","","90","","90","","4622","3","293","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Cl2 Cr F6 N4 P -","- C17 H24 Cl2 Cr F6 N4 P -","- C136 H192 Cl16 Cr8 F48 N32 P8 -","8","1","MU1171","Wong, W.-T.; Leung, W.-H.","<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate","Acta Crystallographica Section C","1995","51","8","1494","1495","10.1107/S0108270195002241","","","0.71073","MoKα","","","0.074","","","0.088","","","","","3.061","3.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003821","25.975","0.003","8.013","0.002","14.051","0.002","90","","110.34","0.02","90","","2742.2","0.9","299","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl3 Hg N2 -","- C10 H14 Cl3 Hg N2 -","- C80 H112 Cl24 Hg8 N16 -","8","1","NA1108","Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.","Phenylpiperazinium Trichloromercurate","Acta Crystallographica Section C","1995","51","8","1563","1565","10.1107/S0108270194013454","","","0.71073","MoKα","","","0.0529","","","0.0615","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003822","19.1","0.002","9.826","0.001","13.411","0.001","90","","129.53","0.06","90","","1941.3","1.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl N6 -","- C8 H11 Cl N6 -","- C64 H88 Cl8 N48 -","8","2","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.047","","","0.031","","","","","0.899","0.899","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003823","9.819","0.001","21.581","0.002","7.027","0.001","90","","113.88","0.06","90","","1361.6","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl2 N6 O2 -","- C8 H16 Cl2 N6 O2 -","- C32 H64 Cl8 N24 O8 -","4","1","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.039","","","0.03","","","","","0.935","0.935","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003824","34.342","0.009","12.642","0.002","34.23","0.009","90","","119.43","0.02","90","","12943","6","295","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H190 N8 O17 U2 -","- C122 N8 O17 U2 -","- C488 N32 O68 U8 -","4","0.5","NA1138","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene","Acta Crystallographica Section C","1995","51","8","1570","1574","10.1107/S0108270195000710","","","0.71073","MoKα","","","0.052","","","0.073","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003825","7.624","0.002","10.027","0.002","12.001","0.003","97.46","0.01","106.79","0.01","108.76","0.01","806.2","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","[(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","NA1141","Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.","Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","8","1505","1508","10.1107/S0108270195002010","","","0.71073","MoKα","","0.0516","0.0383","","0.107","0.1018","","","","1.046","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003826","7.9463","0.0015","9.549","0.005","26.364","0.006","90","","90","","90","","2000.5","1.2","293","2","293","2","","","","","","","slow evaporation of aqueous solution at 293K","4","P b c a","-P 2ac 2ab","61","","Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate","","- C8 H11 K O5 -","- C8 H11 K O5 -","- C64 H88 K8 O40 -","8","1","NA1143","Kim, S. A.","Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate","Acta Crystallographica Section C","1995","51","8","1486","1488","10.1107/S0108270195001673","","","0.71069","MoKα","","0.0674","0.0434","","0.1286","0.1121","","","","1.026","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003827","6.988","0.002","14.11","0.003","30.133","0.006","90","","90","","90","","2971.1","1.2","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","5","P b c a","-P 2ac 2ab","61","","3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C144 H96 F24 N8 O8 -","8","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0588","0.0554","","0.1543","0.1497","","","","1.181","1.212","1.212","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003828","6.076","0.002","14.055","0.006","15.087","0.009","90","","90","","90","","1288.4","1","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","4","P 21 21 21","P 2ac 2ab","19","","3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0585","0.0554","","0.1643","0.1597","","","","1.153","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003829","12.139","0.003","14.635","0.003","27.951","0.007","90","","90","","90","","4966","2","293","","","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C216 H320 O32 -","8","2","","Puliti, R.; Mattia, C. A.; Mazzarella, L.","Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior","Acta Crystallographica Section C","1995","51","8","1703","1707","10.1107/S0108270195002034","","","1.54056","CuKα","","","0.04","","","0.039","","","","","0.89","0.89","","","","","has coordinates","175356","2020-10-21","18:00:00",""
"2003830","8.166","0.002","8.845","0.002","5.934","0.001","102.54","0.02","94.37","0.02","113.57","0.02","377.05","0.16","297","","","","","","","","","","hydrothermal synthesis","4","P -1","-P 1","2","","","","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","1","0.5","OH1045","Yamashita, A.; Kawahara, A.; Sasaki, N.","Synthetic Copper Monophosphate","Acta Crystallographica Section C","1995","51","8","1483","1485","10.1107/S0108270193008145","","","0.71069","MoKα","","","0.042","","","0.057","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003831","22.288","0.002","22.288","0.002","22.288","0.002","90","","90","","90","","11071.7","1.7","295","","","","","","","","","","synthesis","5","F d -3 c","-F 4ud 2vw 3","","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003832","22.155","0.003","22.155","0.003","22.181","0.006","90","","90","","90","","10887","4","120","","","","","","","","","","synthesis","5","F 41/a d c","-I 4bd 2c (1/2*x+1/2*y,-1/2*x+1/2*y,z)","142","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.1","","","0.092","","","","","6.73","6.73","","","","","has coordinates","206090","2020-10-21","18:00:00",""
"2003833","6.999","0.001","7.787","0.002","26.933","0.003","91.68","0.02","89.54","0.01","105.37","0.02","1414.8","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1)","","- C20 H20 B F4 S12 -","- C20 H16 B F4 S12 -","- C40 H32 B2 F8 S24 -","2","1","OH1079","Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.","Organic Metal (DIMET)~2~BF~4~","Acta Crystallographica Section C","1995","51","8","1656","1658","10.1107/S0108270195001806","","","0.71068","MoKα","","","0.04","","","0.043","","","","","4.38","4.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003834","10.021","0.003","5.991","0.002","18.094","0.006","90","","101.1","0.03","90","","1066","0.6","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.83","0.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003835","11.28","0.05","7.92","0.03","13.45","0.05","90","","105.16","0.08","90","","1160","8","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.072","","","0.072","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003836","7.236","0.007","7.714","0.003","21.663","0.007","90","","112.34","0.06","90","","1118.4","1.3","298","","","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.046","","","0.046","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003837","10.749","0.009","9.509","0.003","17.977","0.005","90","","146.08","0.07","90","","1025","2","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.034","","","0.034","","","","","0.046","0.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003838","9.8","0.02","15.88","0.05","9.38","0.02","96.08","0.08","105.8","0.08","77.3","0.1","1369","6","100","","","","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","1.5428","CuKα","","","0.066","","","0.066","","","","","1.22","1.22","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003839","9.598","0.001","11.636","0.002","12.759","0.002","110.64","0.02","107.07","0.02","96.58","0.02","1236.3","0.4","25","","","","","","","","","","methanol solution","4","P -1","-P 1","2","","","","- C10 H20 N2 O3 -","- C10 H19 N2 O3 -","- C40 H76 N8 O12 -","4","2","PA1103","Aubry, A.; Dupont, V.; Marraud, M.","^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1995","51","8","1577","1579","10.1107/S0108270194006025","","","1.5406","CuKα","","","0.074","","","0.087","","","","","10.3","10.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003840","14.078","0.003","9.473","0.002","14.899","0.003","90","","79.51","0.03","90","","1953.7","0.7","293","","293","","","","","","","","grown from heptane solution","4","P 1 21/a 1","-P 2yab","14","Spiro[azatricycloundecane-naphthoxazine]","8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C104 H96 N8 O4 -","4","1","PA1155","Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.","8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1995","51","8","1617","1619","10.1107/S0108270195000205","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","","0.71","0.71","","","","","has coordinates","198477","2020-10-21","18:00:00",""
"2003841","7.957","0.005","11.92","0.003","21.533","0.003","90","","99.72","0.01","90","","2013","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine)","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","PA1159","Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.","Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1995","51","8","1614","1617","10.1107/S0108270195000229","","","1.5418","CuKα","","0.052","0.052","","0.052","0.052","","","","0.19","0.19","0.19","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003842","9.299","0.003","9.592","0.004","13.263","0.005","79.42","0.03","69.85","0.03","62.55","0.03","985.1","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 S2 -","- C27 H18 S2 -","- C54 H36 S4 -","2","1","PA1161","Leino, R. P.; Luttikhedde, H. J. G.; Nasman, J. H.; Ahlgrén, M.; Pakkanen, T.","Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene)","Acta Crystallographica Section C","1995","51","8","1593","1594","10.1107/S010827019500165X","","","0.71073","MoKα","","","0.047","","","0.047","","","","","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003843","10.233","0.002","18.605","0.003","19.9","0.003","90","","101.19","0.01","90","","3716.6","1.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5,8-hexakis-trimethylsilyl-1,2,3,4,5,8-hexahydro-naphthalene.","","- C28 H62 Si6 -","- C28 H62 Si6 -","- C112 H248 Si24 -","4","1","PA1172","Leger, J. M.; Grignon-Dubois, M.; Laguerre, M.","1,2,3,4,5,8-Hexakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalene: the First Example of Double-<i>peri</i> Trimethylsilyl Substitution","Acta Crystallographica Section C","1995","51","8","1665","1667","10.1107/S0108270195002484","","","1.5418","CuKα","","","0.051","","","0.072","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003844","5.916","0.001","13.808","0.002","35.841","0.005","90","","90","","90","","2927.8","0.8","290","","","","","","","","","","grown from EtOAc","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O4 -","- C34 H33 Br O4 -","- C136 H132 Br4 O16 -","4","1","PT1000","Gao, Q.; Yu, K.-L.; Mansuri, M. M.; Kerns, E. H.; Starrett, Jnr, J. E.","Methyl 6-[(4-Bromobenzoyloxy)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)methyl]-2-naphthalenecarboxylate","Acta Crystallographica Section C","1995","51","8","1672","1675","10.1107/S0108270195001958","","","1.5418","CuKα","","","0.045","","","0.057","","","","","1.643","1.643","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003845","6.169","0.002","6.894","0.002","12.797","0.002","90","","101.98","0.03","90","","532.4","0.3","293","","","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C20 H22 N6 O8 -","2","1","VJ1016","Das, A. K.; Mazumdar, S. K.","3'-Isocyano-2',3'-dideoxyuridine (NCddUrd): a Nucleoside Analogue","Acta Crystallographica Section C","1995","51","8","1652","1654","10.1107/S0108270195000114","","","1.54184","CuKα","","","0.037","","","0.04","","","","","1.161","1.161","","","","","has coordinates","198478","2020-10-21","18:00:00",""
"2003846","5.333","0.002","23.891","0.006","9.876","0.002","90","","101.68","0.02","90","","1232.3","0.6","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C21 H17 O3 -","- C84 H68 O12 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0601","","","0.0766","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003847","7.238","0.003","7.822","0.003","29.518","0.013","90","","90.48","0.04","90","","1671.1","1.2","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0528","","","0.0474","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003848","7.879","0.003","16.867","0.006","11.826","0.004","90","","100.35","0.03","90","","1546","1","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 I Ir O S -","- C14 H22 I Ir O S -","- C56 H88 I4 Ir4 O4 S4 -","4","1","AB1226","Terblans, Y. M.; Basson, S. S.; Purcell, W.; Lamprecht, G. J.","(η^4^-1,5-Cyclooctadiene)(iodo)(methyl)(thioacetylacetonato)iridium(III)","Acta Crystallographica Section C","1995","51","9","1748","1750","10.1107/S010827019500254X","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003849","6.593","0.004","10.237","0.005","20.219","0.01","90","","90","","90","","1364.6","1.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S) 1-[(1S)-1-phenylethyl]-3-hydroxy-2-hydroxymethyl-4-methyl pyrrolidine","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","AB1230","Chiaroni, A.; Riche, C.; Nicole, L.","(2<i>R</i>,3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-methyl-1-[(1<i>S</i>)-1-phenylethyl]pyrrolidine-2-methanol","Acta Crystallographica Section C","1995","51","9","1859","1861","10.1107/S0108270194015027","","","1.5418","CuKα","","","0.036","","","0.049","","","","","0.64","0.64","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003850","6.799","0.002","10.4","0.002","22.909","0.005","90","","96.86","0.02","90","","1608.3","0.7","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Methylimidazolinylidene(1,3-dimethylimidazolinylidene) gold(I) trifluoromethanesufonate","","- C10 H14 Au F3 N4 O3 S -","- C10 H14 Au F3 N4 O3 S -","- C40 H56 Au4 F12 N16 O12 S4 -","4","1","AB1233","Kruger, G. J.; Olivier, P. J.; Lindeque, L.; Raubenheimer, H. G.","(1,3-Dimethylimidazolinylidene)(1-methylimidazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","9","1814","1816","10.1107/S0108270195003167","","","0.7093","MoKα","","0.145","0.057","","0.049","0.04","","","","2.082","2.045","2.045","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003851","6.015","0.002","8.052","0.003","14.387","0.005","98.83","0.03","94.21","0.03","108.65","0.03","646.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 N O4 S -","- C15 H9 N O4 S -","- C30 H18 N2 O8 S2 -","2","1","AB1240","Lamiot, J.; Baert, F.; Taverne, T.; Houssin, R.; Lesieur, I.","4-(2-Carboxybenzoyl)-2(3<i>H</i>)-benzothiazolone","Acta Crystallographica Section C","1995","51","9","1912","1915","10.1107/S0108270195003179","","","0.71073","MoKα","","","0.0496","","","0.0557","","","","","1.62","1.62","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003852","16.037","0.003","8.769","0.004","12.804","0.003","90","","90","","90","","1800.6","1","153","","","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- C14 H21 B10 P -","- C14 H21 B10 P -","- C56 H84 B40 P4 -","4","0.5","AB1245","Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-1,2-dicarba-<i>closo</i>-dodecaborane(12) at 153 K","Acta Crystallographica Section C","1995","51","9","1868","1870","10.1107/S0108270195002605","","","0.71073","MoKα","","","0.062","","","0.045","","","","","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003853","18.278","0.012","13.866","0.007","13.52","0.005","90","","90","","90","","3427","3","193","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H27 B10 P -","- C9 H27 B10 P -","- C72 H216 B80 P8 -","8","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.095","","","0.082","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003854","10.254","0.005","17.128","0.006","13.717","0.006","90","","104.39","0.04","90","","2333.5","1.8","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 P2 -","- C14 H38 B10 P2 -","- C56 H152 B40 P8 -","4","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.053","","","0.05","","","","","1.594","1.594","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003855","12.353","0.002","12.353","0.002","12.931","0.002","90","","90","","120","","1708.9","0.5","291","2","291","2","","","","","","","","3","R -3 :H","-R 3","148","octachlorosilasesquioxane","","","- Cl8 O12 Si8 -","- Cl8 O12 Si8 -","- Cl24 O36 Si24 -","3","0.166667","AB1255","Törnroos, K. W.; Calzaferri, G.; Imhof, R.","Octachlorosilasesquioxane, Cl~8~Si~8~O~12~","Acta Crystallographica Section C","1995","51","9","1732","1735","10.1107/S0108270195004410","","","0.71073","MoKα","","0.2354","0.0459","","0.1246","0.07","","","","1.041","1.184","1.184","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003856","8.3218","0.0005","15.1916","0.0012","14.9796","0.0009","90","","102.43","0.01","90","","1849.4","0.2","153","2","153","2","","","","","","","Adolfsson et al.","6","P 1 21/n 1","-P 2yn","14","","trichloro[tris(2-pyridyl)methanol]rhodium(III).MeOH","","- C17 H17 Cl3 N3 O2 Rh -","- C17 H17 Cl3 N3 O2 Rh -","- C68 H68 Cl12 N12 O8 Rh4 -","4","1","AB1264","Ertan, A.; Adolfsson, H.; Moberg, C.","Trichloro[tris(2-pyridyl)methanol]rhodium(III)‒Methanol (1/1)","Acta Crystallographica Section C","1995","51","9","1761","1765","10.1107/S0108270195002939","","","0.71069","MoKα","","0","0.0301","","0","0.0334","","","","","","","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2003857","20.019","0.004","6.878","0.001","8.923","0.002","90","","112.87","0.03","90","","1132","0.5","293","2","293","2","","","","","","","Methylation of uridine.","4","C 1 2 1","C 2y","5","3-methyluridine","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","0.71073","MoKα","","0.0442","0.0345","","0.1254","0.1029","","","","1.141","0.946","0.946","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003858","10.622","0.002","13.662","0.003","16.525","0.003","90","","90","","90","","2398.1","0.8","293","2","293","2","","","","","","","Methylation of inosine.","4","P 21 21 21","P 2ac 2ab","19","1-methylinosine","","","- C11 H14 N4 O5 -","- C11 H14 N4 O5 -","- C88 H112 N32 O40 -","8","2","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","1.54178","CuKα","","0.076","0.05","","0.1668","0.1287","","","","1.084","0.98","0.98","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003859","17.729","0.011","13.521","0.013","23.842","0.006","90","","114.64","0.02","90","","5195","6","296","","296","","","","","","","","Chloroform solution","4","C 1 2/c 1","-C 2yc","15","","dipotassium bis(2-[[2-[2-[2-[2-(2-hydroxyethoxy)]- phenoxy]ethoxy]phenoxy]ethoxy]methyl]benzoate) trihydrate","","- C52 H62 K2 O20 -","- C52 H52 K2 O24 -","- C208 H208 K8 O96 -","4","0.5","AS1158","Kasuga, N. C.; Yamaguchi, K.; Ohashi, Y.","Potassium Salt of a Synthetic Carboxylic Ionophore","Acta Crystallographica Section C","1995","51","9","1816","1819","10.1107/S0108270195003283","","","1.5418","CuKα","","","0.051","","","0.065","","","","","1.703","1.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003860","9.557","0.001","13.58","0.001","8.29","0.001","90.819","0.007","112.97","0.01","97.737","0.007","978.95","0.19","295","","","","","","","","","","recrystallized from ethanol solution","4","P -1","-P 1","2","","","","- C20 H28 N4 O2 -","- C20 H28 N4 O2 -","- C40 H56 N8 O4 -","2","1","AS1162","Nagahara, Y.; Hirayama, N.; Matsumiya, S.; Kono, M.; Shimada, J.; Suzuki, F.","8-(Noradamantan-3-yl)-1,3-dipropylxanthine","Acta Crystallographica Section C","1995","51","9","1955","1957","10.1107/S0108270195004021","","","1.54184","CuKα","","","0.076","","","0.0815","","","","","0.801","0.801","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003861","7.64","0.001","8.804","0.001","32.126","0.002","90","","98.28","0.01","90","","2138.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2:1 theophylline-5FU complex H2O","","","- C18 H21 F N10 O7 -","- C18 H21 F N10 O7 -","- C72 H84 F4 N40 O28 -","4","1","AS1172","Zaitu, S.; Miwa, Y.; Taga, T.","A 2:1 Molecular Complex of Theophylline and 5-Fluorouracil as the Monohydrate","Acta Crystallographica Section C","1995","51","9","1857","1859","10.1107/S0108270195003295","","","1.54178","CuKα","","","0.059","","","0.072","","","","","1.19","1.19","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003862","10.872","0.001","14.559","0.001","12.674","0.001","90","","100.27","0.01","90","","1974","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Phenyl-4-(2'-thienyl)-5,5-dicarbethoxypyrrolidin-2-one.","","- C20 H21 N O5 S -","- C20 H20.867 N O5 S -","- C80 H83.468 N4 O20 S4 -","4","1","AS1174","Kandasamy, S.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","Diethyl 5-Oxo-1-phenyl-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate, C~20~H~21~NO~5~S","Acta Crystallographica Section C","1995","51","9","1942","1944","10.1107/S0108270195003362","","","0.71073","MoKα","","0.073","0.0425","","0.1183","0.1071","","","","0.936","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003863","7.6582","0.0005","23.765","0.003","5.2255","0.0003","95.68","0.007","99.073","0.005","96.759","0.007","925.88","0.14","23","","23","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 Cl N O -","- C17 H32 Cl N O -","- C34 H64 Cl2 N2 O2 -","2","1","AS1176","Vongbupnimit, K.; Noguchi, K.; Okuyama, K.","1-Dodecylpyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","9","1940","1941","10.1107/S0108270195004537","","","1.5418","CuKα","","","0.063","","","0.073","","","","","9.33","9.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003864","9.0653","0.0005","11.1733","0.0006","11.8981","0.0007","90","","91.253","0.005","90","","1204.86","0.12","296","","","","","","","","","","crystallized by slow evaporation from CH~2~Cl~2~/CH~3~OH","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 I N O3 P -","- C7 H17 I N O3 P -","- C28 H68 I4 N4 O12 P4 -","4","1","BK1019","Kumaravel, G.; Gandour, R. D.; Fronczek, F. R.","2,6,6-Trimethyl-2-oxo-1,3-dioxa-6-azonia-2-phosphocyclooctane Iodide","Acta Crystallographica Section C","1995","51","9","1919","1921","10.1107/S0108270195003556","","","0.71073","MoKα","","","0.033","","","0.04","","","","","2.074","2.074","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003865","22.662","0.005","7.671","0.001","18.443","0.001","90","","99.6","0.01","90","","3161.2","0.8","296","","","","","","","","","","National Cancer Institute, NSC 353648","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","BK1028","Ala, P.; Yang, D. S. C.","6-[1-(4-Ethoxyphenyl)ethyl]-5-methoxy-1,3-benzodioxole","Acta Crystallographica Section C","1995","51","9","1917","1919","10.1107/S0108270195003647","","","1.54178","CuKα","","","0.05","","","0.061","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003866","9.556","0.003","18.694","0.004","18.465","0.002","90","","95.77","0.01","90","","3281.9","1.3","295","1","295","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 O8 Ru3 -","- C36 H20 O8 Ru3 -","- C144 H80 O32 Ru12 -","4","1","BK1098","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Alkyne Coupling Induced by a Trinuclear Ruthenium Cluster: Synthesis and Structure of Di-μ-carbonyl-hexacarbonyl-μ~3~-(1,2,3,4-tetraphenyl-1,3-butadiene-1,4-diyl)-triruthenium(2 <i>Ru</i>—<i>Ru</i>), [Ru~3~(CO)~8~(C~4~Ph~4~)]","Acta Crystallographica Section C","1995","51","9","1819","1822","10.1107/S0108270195002861","","","0.7107","MoKα","","","0.0336","","","0.049","","","","","2.012","2.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003867","11.984","0.002","8.769","0.001","16.215","0.002","90","","91.24","0.02","90","","1703.6","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","BK1102","Kumaradhas, P.; Nirmala, K. A.; Ravikumar, K.","<i>trans</i>-(±)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate","Acta Crystallographica Section C","1995","51","9","1932","1934","10.1107/S0108270195002654","","","0.7106","MoKα","","","0.039","","","0.048","","","","","0.91","0.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003868","10.848","0.001","10.974","0.001","14.109","0.002","100.93","0.01","104.05","0.01","90.05","0.01","1597.9","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 Br N -","- C18 H24 Br N -","- C72 H96 Br4 N4 -","4","2","BK1104","Patrick, G. L.; Willis, A. C.","(±)-(4aα,4bβ,10bβ,12aβ)-9-Bromo-2-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-<i>f</i>]isoquinoline Formed from the Acid-Catalyzed Cyclization of 5-[2-(4-Bromophenyl)ethyl]-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline","Acta Crystallographica Section C","1995","51","9","1937","1940","10.1107/S0108270195004975","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003869","5.0037","0.0007","10.594","0.0014","35.728","0.005","90","","93.689","0.011","90","","1890","0.5","298","","","","","","","","","","electrocrystallization","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag F12 S16 -","- C28 H24 Ag F12 S16 -","- C56 H48 Ag2 F24 S32 -","2","0.5","BK1111","Geiser, U.; Schlueter, J. A.; Dudek, J. D.; Williams, J. M.; Naumann, D.; Roy, T.","Non-Superconducting Phase of Bis(3,4;3',4'-ethylenedithio)-2,2',5,5'-tetrathiafulvalene‒Tetrakis(trifluoromethyl)argentate(III) (2/1), (BEDT-TTF)~2~[Ag(CF~3~)~4~]","Acta Crystallographica Section C","1995","51","9","1779","1782","10.1107/S0108270195003064","","","0.7107","MoKα","","","0.039","","","0.038","","","","","1.85","1.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003870","13.782","0.001","29.581","0.002","5.502","0.003","90","","90","","90","","2243.1","1.2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-tetra-O-acetyl-N-β-D-glucopyranosyl-S-phenylsulfenamide","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C80 H100 N4 O36 S4 -","4","1","BM1001","Lee, C. K.; Linden, A.; Vasella, A.","<i>N</i>-<small>D</small>-Glucopyranosyl-<i>S</i>-phenylsulfenamide: Structure and Evaluation as a Novel β-Glucosidase Inhibitor","Acta Crystallographica Section C","1995","51","9","1906","1910","10.1107/S0108270195005944","","","0.71073","MoKα","","0.0794","0.0452","","0.045","0.0416","","","","","1.505","1.505","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003871","9.3352","0.0006","19.2342","0.001","9.3903","0.0007","90","","93.039","0.006","90","","1683.71","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C18 H21 N5 -","- C18 H21 N5 -","- C72 H84 N20 -","4","1","BM1002","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","3-Methyl-6-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section C","1995","51","9","1889","1891","10.1107/S0108270195003337","","","1.5418","CuKα","","0.0775","0.0385","","0.1043","0.094","","","","0.897","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003872","6.721","0.001","9.002","0.002","22.914","0.005","90","","91.46","0.03","90","","1385.9","0.5","150","2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohepta-3,5-dien-1-yl 3',5'-dinitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","BM1005","Allen, F. H.; Howard, J. A. K.; Pitchford, N. A.; Steel, P. G.","Cyclohepta-3,5-dien-1-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1946","1949","10.1107/S0108270195003957","","","0.71073","MoKα","","0.1115","0.0518","","0.2078","0.1431","","","","1.063","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003873","15.307","0.003","7.018","0.001","17.014","0.006","90","","107.61","0.02","90","","1742.1","0.8","140","0.2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-3-(3'4'5'-trimethoxyphenyl)-5,6-methylenedioxy-1,3- dihydroisobenzofuran","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","BM1006","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Qianrong, L.","1-Methoxy-5,6-methylenedioxy-3-(3,4,5-trimethoxyphenyl)-1,3-dihydroisobenzofuran","Acta Crystallographica Section C","1995","51","9","1891","1893","10.1107/S0108270195004689","","","0.71069","MoKα","","0.0571","0.0363","","0.1137","0.0852","","","","0.52","0.515","0.515","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003874","12.069","0.001","12.6","0.002","13.556","0.002","87.97","0.01","67.36","0.01","80.19","0.01","1873.7","0.5","150","0.2","150","2","","","","","","","","8","P -1","-P 1","2","","aquacarbonylbis(triphenylarsine)rhodium(I) tetrafluoroborate dichloromethane (1/1)","","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C76 H68 As4 B2 Cl4 F8 O4 Rh2 -","2","1","BM1007","Hursthouse, M. B.; Malik, K. M. A.; Evans, E. W.; Howlader, M. B. H.; Atlay, M. T.","<i>trans</i>-Aquacarbonylbis(triphenylarsine)rhodium(I) Tetrafluoroborate Dichloromethane Solvate (1/1)","Acta Crystallographica Section C","1995","51","9","1782","1784","10.1107/S0108270195004082","","","0.71069","MoKα","","0.0568","0.0287","","0.1209","0.0724","","","","0.341","0.302","0.302","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003875","6.8923","0.0011","12.836","0.002","17.387","0.003","90","","90","","90","","1538.2","0.4","240","2","240","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-(4''-methylphenyl)(2'R,4R)-2'-bromo-2'-(2,2-dimethyl-1,3-dioxolan- 4-yl)ethanethiolate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.0616","0.0372","","0.1059","0.0926","","","","1.071","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003876","5.584","0.002","9.042","0.003","10.902","0.003","77.06","0.03","78.75","0.02","87.98","0.03","526.1","0.3","160","2","160","2","","","","","","","","5","P 1","P 1","1","","S-(4''-methylphenyl)(2'R,4S)-2'-(benzyloxycarbonylamino)- 2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiolate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C22 H25 N O5 S -","1","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.049","0.0431","","0.1246","0.1158","","","","1.121","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003877","10.671","0.001","11.218","0.001","15.953","0.002","106.35","0.01","105.14","0.01","98.66","0.01","1716.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cs6 H14 Mo7 O31 -","- Cs6 Mo7 O31 -","- Cs12 Mo14 O62 -","2","1","BR1105","Kortz, U.; Pope, M. T.","Cs~6~[Mo~7~O~24~].7H~2~O","Acta Crystallographica Section C","1995","51","9","1717","1719","10.1107/S010827019500494X","","","0.71073","MoKα","","","0.05","","","0.132","","","","","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003878","20.569","0.008","11.3","0.006","19.179","0.007","90","0.03","96.21","0.02","90","0.04","4432","3","100","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","7,16-dihydro-2,3,6,8,11,12,15,17-octamethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecine","","- C26 H32 N4 -","- C26 H32 N4 -","- C208 H256 N32 -","8","1","CR1112","Buzatu, D. A.; Nolan, S. P.; Stevens, E. D.","An Octamethyldibenzotetraaza[14]annulene","Acta Crystallographica Section C","1995","51","9","1855","1857","10.1107/S0108270194014708","","","0.71073","MoKα","","","0.037","","","0.044","","","","","1.911","1.911","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003879","8.871","0.002","7.397","0.002","20.393","0.004","90","","93.83","0.02","90","","1335.2","0.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 N4 O4 -","- C9 H20 N4 O4 -","- C36 H80 N16 O16 -","4","1","CR1118","Zhou, K.-J.; Di Maio, G.; Portalone, G.; Li, S.","4-Acetamidocyclohexanone Semicarbazone Dihydrate","Acta Crystallographica Section C","1995","51","9","1844","1846","10.1107/S0108270195002137","","","0.71069","MoKα","","","0.064","","","0.066","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003880","6.2543","0.0001","6.2543","0.0001","12.332","0.0003","90","","90","","120","","417.755","0.014","295","","295","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","SrTa4O11","","- O11 Sr Ta4 -","- O11 Sr Ta4 -","- O22 Sr2 Ta8 -","2","0.166667","CR1170","Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B.","SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data","Acta Crystallographica Section C","1995","51","9","1723","1725","10.1107/S0108270195004264","","neutron","2.57167","Neutron","","0.0243","","","0.031","","","","","1.79","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003881","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","2","CR1197","Marsh, R. E.","On the Structure of (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol","Acta Crystallographica Section C","1995","51","9","1957","1958","10.1107/S0108270195006032","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003882","14.285","0.007","14.285","0.007","7.227","0.003","90","","90","","90","","1474.8","1.2","370","","370","","","","","","","","melting and slow cooling","3","I 4/m","-I 4","","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","DU1109","Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C.","Paraelastic Pb~5~Al~3~F~19~ at 370 K","Acta Crystallographica Section C","1995","51","9","1731","1732","10.1107/S0108270195001879","","","0.71073","MoKα","","","0.053","","","0.058","","","","","1.12","1.12","","","","","has coordinates","281832","2023-03-13","07:39:36",""
"2003883","9.526","0.002","10.194","0.002","16.391","0.004","90","","90","","90","","1591.7","0.6","293","2","293","2","","","","","","","from benzene","5","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphine sulfide)cyclohexanone","","- C18 H19 O P S -","- C18 H19 O P S -","- C72 H76 O4 P4 S4 -","4","1","DU1112","Boukraa, M.; Jouini, T.; Barkallah, S.; Ben Akacha, A.; Zantour, H.; Baccar, B.","Diphenyl(2-oxocyclohexyl)phosphine Sulfide","Acta Crystallographica Section C","1995","51","9","1851","1853","10.1107/S0108270195001557","","","0.71069","MoKα","","0.0577","0.0503","","0.1313","0.1257","","","","1.058","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003884","6.2983","0.0003","9.5537","0.0009","10.4499","0.0006","90","","90","","90","","628.79","0.08","293","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 O12 Si4 Zn2 -","- K4 O12 Si4 Zn2 -","- K8 O24 Si8 Zn4 -","2","0.25","DU1113","Hogrefe, A. R.; Czank, M.","Synthetic Dipotassium Zinc Disilicate","Acta Crystallographica Section C","1995","51","9","1728","1730","10.1107/S0108270195003052","","","0.71069","MoKα","","","0.0541","","","0.0365","","","","","6.016","6.016","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003885","8.641","0.001","8.76","0.001","24.335","0.003","90","","90","","90","","1842","0.4","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Cr0.4 Li1.14 Nb0.93 O12 P3 Sc0.67 -","- Cr0.394 Li1.5 Nb0.932 O12 P3 Sc0.674 -","- Cr3.152 Li12 Nb7.456 O96 P24 Sc5.392 -","8","1","DU1115","Rivier, S.; Angenault, J.; Couturier, J.-C.; Robert, F.; Quarton, M.","Li~1.14~Nb~0.93~Sc~0.67~Cr~0.40~(PO~4~)~3~","Acta Crystallographica Section C","1995","51","9","1735","1737","10.1107/S0108270195003088","","","0.71069","MoKα","","","0.03","","","0.033","","","","","2.54","2.54","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003886","6.7156","0.0005","9.8164","0.0007","10.098","0.0005","66.884","0.004","73.282","0.005","73.301","0.006","574.76","0.07","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Orthophénylènediammonium Bis(dihydrogénophosphate)","","- C6 H14 N2 O8 P2 -","- C6 H14 N2 O8 P2 -","- C12 H28 N4 O16 P4 -","2","1","DU1120","Soumhi, E. H.; Jouini, T.","Orthophénylènediammonium Bis(dihydrogénophosphate)","Acta Crystallographica Section C","1995","51","9","1883","1885","10.1107/S0108270195004173","","","0.71069","MoKα","","0.0341","0.0304","","0.0815","0.0793","","","","1.08","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003887","10.92","0.001","16.409","0.003","7.753","0.006","90","","93.89","0.03","90","","1386","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(H)N2-ethyl]CoCl~3~","Trichloro [N-(2-benzimidazolylmethyl)ethylammonium-N']cobalt(II)","","- C10 H14 Cl3 Co N3 -","- C10 H14 Cl3 Co N3 -","- C40 H56 Cl12 Co4 N12 -","4","1","FG1022","Cooley, J. A.; Kamaras, P.; Rapta, M.; Jameson, G. B.","Trichloro[(1<i>H</i>-benzimidazol-2-ylmethyl)(ethyl)ammonium-<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section C","1995","51","9","1811","1813","10.1107/S0108270195003349","","","0.71073","MoKα","","0.0329","0.03","","0.0861","0.0817","","","","1.046","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003888","12.06","0.003","10.027","0.008","8.046","0.002","76.36","0.05","89.08","0.02","66.09","0.04","860.9","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H20 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","1","0.5","FG1024","Davies, P. J.; Taylor, M. R.; Wainwright, K. P.; Kobus, H. J.","Zinc(II) Chloride‒Methanol Complex of 2-[(1,3-Dihydro-1,3-dioxo-2<i>H</i>-inden-2-ylidene)amino]-1<i>H</i>-indene-1,3(2<i>H</i>)-dionate(1‒) Sodium Salt: a Complex of Ruhemann's Purple","Acta Crystallographica Section C","1995","51","9","1802","1805","10.1107/S0108270195003325","","","0.7107","MoKα","","0.058","0.048","","0.048","0.041","","","","3.9","3.624","3.624","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2003889","6.591","0.004","12.222","0.002","17.254","0.004","90","","96.78","0.03","90","","1380.2","0.9","293","","293","","","","","","","","Crystals were obtained by slow evaporation of an aqueous solution that was 0.64 M in each of zinc(II) chloride, hydrochloric acid and purine.","5","C 1 c 1","C -2yc","9","","Dichlorobis(purine)zinc(II)","","- C10 H8 Cl2 N8 Zn -","- C10 H8 Cl2 N8 Zn -","- C40 H32 Cl8 N32 Zn4 -","4","1","FG1031","Laity, H. L.; Taylor, M. R.","Dichlorobis(purine)zinc(II)","Acta Crystallographica Section C","1995","51","9","1791","1793","10.1107/S0108270195004227","","","0.71073","MoKα","","0.047","0.04","","0.034","0.033","","","","1.391","1.443","1.443","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003890","7.194","0.001","11.741","0.002","10.63","0.002","90","","97.08","0.01","90","","891","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N8 P2 Pt -","- C14 H24 N8 P2 Pt -","- C28 H48 N16 P4 Pt2 -","2","0.5","FG1042","Assefa, Z.; McBurnett, B. G.; Staples, R. J.; Fackler, Jnr, J. P.","<i>trans</i>-Dicyanobis(1,3,5-triaza-7-phosphaadamantane)platinum(II), [(TPA)~2~Pt(CN)~2~]","Acta Crystallographica Section C","1995","51","9","1742","1743","10.1107/S0108270195002915","","","0.71073","MoKα","","","0.0331","","","0.0442","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003891","11.154","0.002","15.059","0.003","14.641","0.003","90","","90.37","0.02","90","","2459.2","0.8","173","2","173","2","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocenium Aluminum Tetrachloride","","- C16 H26 Al Cl4 Fe Si2 -","- C16 H26 Al Cl4 Fe Si2 -","- C64 H104 Al4 Cl16 Fe4 Si8 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.099","0.0522","","0.0808","0.0692","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003892","6.173","0.002","8.103","0.001","16.915","0.003","90","","95.69","0.02","90","","841.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocene","","- C16 H26 Fe Si2 -","- C16 H26 Fe Si2 -","- C32 H52 Fe2 Si4 -","2","0.5","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0313","0.0279","","0.0819","0.08","","","","1.054","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003893","12.19","0.002","7.466","0.002","10.839","0.002","90","","103.25","0.03","90","","960.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-Dimethylferrocene","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0724","0.0434","","0.0577","0.0523","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003894","9.126","0.001","12.631","0.001","24.532","0.004","97.32","0.01","99.59","0.01","105.46","0.01","2643.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-Diethyldithiocarbamatodiiodophenyltellurium(IV)","","- C11 H15 I2 N S2 Te -","- C11 H15 I2 N S2 Te -","- C66 H90 I12 N6 S12 Te6 -","6","3","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0946","0.0465","","0.1411","0.1138","","","","1.076","1.221","1.221","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003895","9.9482","0.0012","10.428","0.003","11.004","0.002","66.95","0.02","65.934","0.011","75.94","0.02","954.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","cis-Bis(0.4bromo/0.6iodo)diethyldithiocarbamato-4-methoxyphenyltellurium(IV)","","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C24 H34 Br1.6 I2.4 N2 O2 S4 Te2 -","2","1","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0555","0.0427","","0.1492","0.1245","","","","1.059","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003896","7.374","0.004","7.469","0.004","9.598","0.004","117.57","0.03","72.19","0.04","96.81","0.04","446","0.4","293","","","","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","1","0.5","HR1050","İçbudak, H.; Yilmaz, V. T.; Howie, R. A.; Andaç, Ö.; Ölmez, H.","Bis[tris(2-hydroxyethyl)amine]nickel(II) Chloride","Acta Crystallographica Section C","1995","51","9","1759","1761","10.1107/S0108270195001600","","","0.71073","MoKα","","","0.038","","","0.044","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003897","7.046","0.002","9.919","0.003","10.392","0.003","90","","109.8","0.02","90","","683.4","0.4","295","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 N6 O2 S2 -","- C8 H12 Cu2 N6 O2 S2 -","- C16 H24 Cu4 N12 O4 S4 -","2","0.5","HU1106","Chen, Z. N.; Qiu, J.; Tang, W. X.; Yu, K. B.","A Dinuclear Copper(II) Complex Bridged by a <i>trans</i>-Oxamidate Ligand","Acta Crystallographica Section C","1995","51","9","1809","1811","10.1107/S0108270195002782","","","0.71073","MoKα","","","0.0288","","","0.0316","","","","","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003898","5.114","0.005","10.896","0.003","20.883","0.006","90","","90","","90","","1163.6","1.2","293","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","HU1117","Lyubchova, A.; Cossé-Barbi, A.; Doucet, J. P.; Robert, F.; Souron, J.-P.; Quarton, M.","Salicylaldehyde Benzoyl Hydrazone","Acta Crystallographica Section C","1995","51","9","1893","1895","10.1107/S0108270195003076","","","0.71069","MoKα","","","0.035","","","0.033","","","","","1.47","1.47","","","","","has coordinates","198480","2020-10-21","18:00:00",""
"2003899","16.381","0.005","6.111","0.001","5.896","0.001","90","","90","","90","","590.2","0.2","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","Lead(II) hydrogenselenite","Lead(II) bis(hydrogenselenate(IV))","","- H2 O6 Pb Se2 -","- O6 Pb Se2 -","- O24 Pb4 Se8 -","4","0.5","HU1127","Koskenlinna, M.; Valkonen, J.","Lead(II) Hydrogenselenite","Acta Crystallographica Section C","1995","51","9","1737","1739","10.1107/S0108270195003441","","","0.71073","MoKα","","","0.032","","","0.04","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003900","17.862","0.004","6.849","0.002","23.065","0.002","90","","102.14","0.01","90","","2758.6","1","299","1","","","","","","","","","evaporation of aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 As N6 O5 -","- C9 H9 As N6 O5 -","- C72 H72 As8 N48 O40 -","8","1","HU1147","Leonard, G. A.; Hunter, W. N.; Berger, B. J.; Fairlamb, A. H.","<i>p</i>-(4,6-Diamino-<i>s</i>-triazin-2-yl)aminophenylarsonic Acid Dihydrate","Acta Crystallographica Section C","1995","51","9","1953","1955","10.1107/S0108270195003453","","","1.5418","CuKα","","","0.075","","","0.098","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003901","8.311","0.001","17.111","0.001","20.5","0.002","90","","101.44","0.01","90","","2857.4","0.5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H33 O5 V Zr -","- C31.5 H33 O5 V Zr -","- C126 H132 O20 V4 Zr4 -","4","1","JZ1002","Grehl, M.; Berlekamp, M.; Erker, G.","A Nine-Membered Metallacyclic Metalloxycarbene Vanadium Complex","Acta Crystallographica Section C","1995","51","9","1772","1774","10.1107/S0108270195002435","","","0.71073","MoKα","","","0.061","","","0.091","","","","","1.268","1.268","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003902","11.783","0.001","16.365","0.004","8.981","0.001","90","","90","","90","","1731.8","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl Cr N5 O8 -","- C10 H25 Cl Cr N5 O8 -","- C40 H100 Cl4 Cr4 N20 O32 -","4","1","JZ1012","Choi, J.-H.; Suh, I.-H.; Kwak, S.-H.","[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III) Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O","Acta Crystallographica Section C","1995","51","9","1745","1748","10.1107/S0108270195002800","","","0.71073","MoKα","","","0.0416","","","0.0416","","","","","1.4815","1.4815","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003903","12.811","0.003","10.122","0.001","13.176","0.005","90","","95.37","0.03","90","","1701.1","0.8","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Ir N O2 S -","- C17 H18 Ir N O2 S -","- C68 H72 Ir4 N4 O8 S4 -","4","1","JZ1014","Theron, M.; Basson, S. S.; Purcell, W.","(η^4^-1,5-Cyclooctadiene)(<i>N</i>-hydroxy-4-methoxy-<i>N</i>-methylthiobenzamido-<i>O</i>,<i>S</i>)iridium(I)","Acta Crystallographica Section C","1995","51","9","1750","1752","10.1107/S0108270195002666","","","0.71073","MoKα","","","0.032","","","0.032","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003904","24.699","0.002","7.343","0.001","12.748","0.002","90","","90","","90","","2312","0.5","100","2","100","2","","","","","","","ethanol","4","P c a 21","P 2c -2ac","29","","Trimethylphenyphosphoniumiodide","","- C9 H14 I P -","- C9 H14 I P -","- C72 H112 I8 P8 -","8","2","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0343","0.0201","","0.0507","0.0481","","","","1.039","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003905","6.033","0.001","8.048","0.001","27.348","0.005","90","","91.3","0.02","90","","1327.5","0.4","100","2","100","2","","","","","","","ethanol","5","P 1 21/c 1","-P 2ybc","14","","Trimethyl(p-N,N-dimethylamino)phenylphosphoniumiodide","","- C11 H19 I N P -","- C11 H19 I N P -","- C44 H76 I4 N4 P4 -","4","1","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0338","0.0213","","0.0555","0.0508","","","","1.024","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003906","6.846","0.001","8.076","0.001","12.741","0.002","89.99","0.01","83.09","0.01","82.77","0.01","693.67","0.17","200","2","200","2","","","","","","","dimethylsufoxide/water","5","P -1","-P 1","2","N,N'-ditosyl-p-phenylenediamine","","","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","1","0.5","JZ1032","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Ditosyl-<i>p</i>-phenylenediamine Bis(dimethyl sulfoxide), C~20~H~20~N~2~O~4~S~2~.2C~2~H~6~OS","Acta Crystallographica Section C","1995","51","9","1935","1937","10.1107/S0108270195004884","","","0.71073","MoKα","","0.0378","0.0316","","0.0918","0.0872","","","","1.067","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003907","8.656","0.001","11.81","0.01","13.521","0.001","78.93","0.02","82.28","0.01","86.13","0.02","1343","1.2","293","2","293","2","","","","","","","crystallized from acetonitrile","5","P -1","-P 1","2","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C68 H48 N4 O4 S4 -","2","1","JZ1033","Elmali, A.; Özbey, S.; Kendi, E.; Kabak, M.; Elerman, Y.","<i>N</i>,<i>N</i>'-[Dithiobis(<i>o</i>-phenylene)]bis(2-hydroxy-1-naphthaldimine)","Acta Crystallographica Section C","1995","51","9","1878","1880","10.1107/S010827019500285X","","","0.71069","MoKα","","0.0509","0.0459","","0.1159","0.1141","","","","2.828","3.051","3.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003908","7.27","0.001","7.076","0.004","11.227","0.001","90","","100.57","0.01","90","","567.7","0.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C24 H22 Cl2 N4 O2 -","2","1","JZ1037","Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.","5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone","Acta Crystallographica Section C","1995","51","9","1834","1836","10.1107/S0108270195002757","","","0.71069","MoKα","","","0.051","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003909","14.46","0.001","13.158","0.002","31.733","0.005","90","","94.13","0.01","90","","6022","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","not as in title!","","- C25 H11 Mn O13 P2 Re2 -","- C25 H10 Mn O13 P2 Re2 -","- C200 H80 Mn8 O104 P16 Re16 -","8","2","JZ1040","Flörke, U.; Haupt, H.-J.","μ-Phenylphosphido-μ-[(pentacarbonylmanganese)phenylphosphido]-bis(tetracarbonylrhenium)","Acta Crystallographica Section C","1995","51","9","1776","1778","10.1107/S0108270195003969","","","0.71073","MoKα","","0.1036","0.0548","","0.1215","0.1044","","","","1.045","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003910","13.622","0.001","13.622","0.001","36.47","0.002","90","","90","","120","","5860.7","0.7","211","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H63 Au3 B F4 O P3 -","- C27 H63 Au3 B0.5 F4 O P3 -","- C162 H378 Au18 B3 F24 O6 P18 -","6","0.333333","JZ1042","Angermaier, K.; Schmidbaur, H.","μ~3~-Oxo-tris[(triisopropylphosphine)gold(I)] Tetrafluoroborate","Acta Crystallographica Section C","1995","51","9","1793","1795","10.1107/S0108270195003787","","","0.71073","MoKα","","","0.0309","","","0.0344","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003911","23.875","0.011","22.954","0.01","11.877","0.005","90","","90","","90","","6509","5","293","","","","","","","","","","crystallization from ethanol/water","5","F d d 2","F 2 -2d","43","","","","- C16 H20 N6 O4 S -","- C17 H14 N6 O4 S -","- C272 H224 N96 O64 S16 -","16","1","KA1042","Kettmann, V.; Bozóová, A.; Rybár, A.","9,9'-Thiobis(1,2,3,4,7,8-hexahydro-7-methyl-6<i>H</i>-pyrimido[1,6-<i>a</i>]pyrimidine-6,8-dione)","Acta Crystallographica Section C","1995","51","9","1861","1864","10.1107/S0108270194000090","","","0.71073","MoKα","","","0.052","","","0.055","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003912","15.397","0.004","9.696","0.003","12.14","0.003","90","","104.43","0.02","90","","1755.2","0.8","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.073","","","0.071","","","","","5.4","5.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003913","13.291","0.002","16.973","0.003","8.741","0.001","90","","114.16","0.01","90","","1799.1","0.5","293","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.053","","","0.059","","","","","6.3","6.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003914","11.918","0.004","12.296","0.003","11.193","0.005","90","","90.65","0.03","90","","1640.2","1","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N3 O2 -","- C19 H14 Cl N3 O2 -","- C76 H56 Cl4 N12 O8 -","4","1","KA1109","Karolak-Wojciechowska, J.; Kiec-Kononowicz, K.","(<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione","Acta Crystallographica Section C","1995","51","9","1833","1834","10.1107/S0108270195002836","","","1.54184","CuKα","","","0.072","","","0.067","","","","","4.84","4.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003915","6.453","0.002","9.997","0.002","20.114","0.004","90","","90.38","0.01","90","","1297.5","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","","","","","","- C15 H15 N O2 -","- C18.75 H18.75 N1.25 O2.5 -","- C75 H75 N5 O10 -","4","1","KA1112","Kaitner, B.; Pavlovic, G.","<i>N</i>-<i>p</i>-Tolylvanillaldimine, C~15~H~15~NO~2~","Acta Crystallographica Section C","1995","51","9","1875","1878","10.1107/S0108270195002824","","","0.7093","MolybdenumKα","","","0.048","","","0.085","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003916","7.4728","0.0014","7.0341","0.0012","12.356","0.002","90","","92.9","0.02","90","","648.7","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0316","0.0282","","0.0788","0.0762","","","","1.054","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003917","7.22","0.0013","7.6439","0.0015","12.148","0.003","90","","93.9","0.02","90","","668.9","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0303","0.0284","","0.0776","0.0756","","","","1.091","1.088","1.088","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003918","7.0866","0.0014","7.813","0.002","23.956","0.004","90","","90","","90","","1326.4","0.5","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0372","0.0285","","0.0806","0.0714","","","","1.066","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003919","7.364","0.002","7.484","0.002","24.168","0.005","90","","90","","90","","1332","0.6","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0286","0.0269","","0.0745","0.072","","","","1.035","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003920","7.9169","0.0009","9.2702","0.0006","15.9849","0.0012","90","","90","","90","","1173.15","0.18","293","1","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Mer(NO~2~),trans(NH~2~,NH~3~)-silver(I)- (S-alaninato)amminetrinitrocobaltate(III) Monohydrate","","- C3 H11 Ag Co N5 O9 -","- C3 H11 Ag Co N5 O9 -","- C12 H44 Ag4 Co4 N20 O36 -","4","1","KA1120","Prelesnik, B.; Andjelković, K.; Malinar, M.; Juranic, N.","Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and Conformational Asymmetry. IV. Silver(I) <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III) Monohydrate","Acta Crystallographica Section C","1995","51","9","1767","1769","10.1107/S0108270195002812","","","0.71069","MoKα","","","0.035","","","0.037","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003921","7.799","0.001","11.275","0.0008","11.622","0.001","90","","90","","90","","1021.97","0.17","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","KH1020","Chai, C. L. L.; King, A. R.; Hockless, D. C. R.","<i>cyclo</i>-<i>N</i>-Acetyl-<small>L</small>-alanyl-<i>N</i>-methyl-<small>L</small>-alanyl (<i>cyclo</i>-<i>N</i>-Ac-<small>L</small>-Ala-<i>N</i>-Me-<small>L</small>-Ala)","Acta Crystallographica Section C","1995","51","9","1836","1838","10.1107/S0108270195002745","","","1.5418","CuKα","","0.0329","0.029","","0.0229","0.023","","","","","3.56","3.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003922","9.0574","0.0009","11.658","0.004","25.697","0.004","90","0.013","90","0.02","90","0.02","2713.4","1.1","130","1","130","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1) endo 2-Norborneol 2,4-Dinitrobenzoate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","1","KH1023","White, J. M.; Green, A. J.","<i>endo</i>-2-Norborneol 2,4-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1905","1906","10.1107/S0108270195002393","","","0.71069","MoKα","","0.0635","0.0437","","0.1366","0.1163","","","","1.152","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003923","15.12","0.01","10.72","0.01","21.58","0.02","90","","119.23","0.1","90","","3052","5","288","","288","","","","","","","","","7","P 1 c 1","P -2yc","7","","bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^N^2^N^6^)mercury(II) tetrakis(trifluoroacetato)mercury(II) dichloromethane solvate","","- C54.7 H47.4 Cl1.4 F12 Hg2 N6 O8 -","- C55 Cl2 F12 Hg2 N6 O8 -","- C110 Cl4 F24 Hg4 N12 O16 -","2","1","LI1135","Breuer, S. W.; Small, R. W. H.","Bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^<i>N</i>^2^,<i>N</i>^6^)mercury(II) Tetrakis(trifluoroacetato)mercury(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","9","1784","1788","10.1107/S010827019500477X","","","0.7107","MoKα","","","0.049","","","0.045","","","","","1.676","1.676","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003924","6.582","0.006","7.362","0.005","12.265","0.005","90","","94.03","0.06","90","","592.9","0.7","293","2","293","2","","","","","","","Preparation by Kitajima et al. (1982)","3","P 1 21/c 1","-P 2ybc","14","","copper(II) tetrachloroaluminium","","- Al2 Cl8 Cu -","- Al2 Cl8 Cu -","- Al4 Cl16 Cu2 -","2","0.5","MD1003","Herbstein, F. H.; Kapon, M.","Re-Examination Shows that Copper(II) Tetrachloroaluminium, Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated","Acta Crystallographica Section C","1995","51","9","1739","1741","10.1107/S0108270195005865","","","0.71069","MoKα","","0.0883","0.0848","","0.2396","","","","","0.476","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003925","9.402","0.004","10.045","0.006","13.658","0.006","90","","106.49","0.02","90","","1236.8","1.1","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","cis-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","MU1162","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","<i>cis</i>-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","Acta Crystallographica Section C","1995","51","9","1838","1841","10.1107/S0108270195002228","","","1.54056","CuKα~1~","","0.1456","0.0544","","0.2345","0.1721","","","","1.004","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003926","17.631","0.007","11.843","0.004","6.984","0.001","90","","92.36","0.03","90","","1457","0.8","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,9RS,10SR,14RS)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","Cu-Kα~1~","","0.0729","0.0561","","0.1826","0.1553","","","","1.075","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003927","20.355","0.007","16.648","0.005","9.181","0.002","90","","97.14","0.04","90","","3087","1.6","293","2","293","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","(1SR,2RS,9RS,10RS,14SR)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol monohydrate","","- C15 H26 O6 -","- C15 H26 O6 -","- C120 H208 O48 -","8","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","CuKα~1~","","0.0487","0.0374","","0.1071","0.1024","","","","1.014","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003928","11.995","0.001","11.995","0.001","16.692","0.002","90","","90","","90","","2401.6","0.4","296","","296","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","Tetraethylammonium hepta-μ3-chloro-μ3-teluro-hexachlorohexamolybdate","","- C24 H60 Cl13 Mo6 N3 Te -","- C24 Cl13 Mo6 N3 Te -","- C48 Cl26 Mo12 N6 Te2 -","2","0.125","NA1128","Ebihara, M.; Imai, T.; Kawamura, T.","Hexamolybdenum Cluster with One Telluride and Seven Chloride Capping Ligands","Acta Crystallographica Section C","1995","51","9","1743","1745","10.1107/S0108270194013466","","","0.7107","MolybdenumKα","","","0.038","","","0.043","","","","","1.52","1.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003929","20.27","0.009","20.27","0.009","12.3","0.05","90","","90","","120","","4377","18","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","cis-diammine-bisacyclovir platinum(II) chloride dihydrate","cis-diamminebis{2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one} platinum(II) chloride dihydrate","","- C16 H32 Cl2 N12 O8 Pt -","- C16 H20 Cl2 N12 O8 Pt -","- C96 H120 Cl12 N72 O48 Pt6 -","6","1","NA1142","Sinur, A.; Grabner, S.","A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1995","51","9","1769","1772","10.1107/S0108270195002563","","","0.71069","MoKα","","0.065","0.054","","0.066","0.056","","","","3.013","2.843","2.843","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003930","14.301","0.006","13.037","0.005","20.981","0.014","90","","90","","90","","3912","3","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H29 N4 O12 V3 -","- C8 H29 N4 O12 V3 -","- C64 H232 N32 O96 V24 -","8","1","NA1147","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate Trihydrate","Acta Crystallographica Section C","1995","51","9","1752","1754","10.1107/S0108270195002022","","","0.71069","MoKα","","","0.0568","","","0.1261","","","","","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003931","24.096","0.005","10.692","0.002","20.188","0.004","90","","98.36","0.02","90","","5145.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","The tetraethylammonium salt of the Eu(dipic)3","tris(tetraethylammonium)tris(dipicolinato)europium(III) tetrahydrate","","- C45 H77 Eu N6 O16 -","- C45 H77 Eu N6 O16 -","- C180 H308 Eu4 N24 O64 -","4","1","NA1151","Brayshaw, P. A.; Harrowfield, J. M.; Sobolev, A. N.","A Strongly Luminescent Organic-Solvent-Soluble Salt of the Tris(dipicolinato)europium(III) Trianion","Acta Crystallographica Section C","1995","51","9","1799","1802","10.1107/S0108270195002897","","","0.71073","MoKα","","0.0673","0.0417","","0.0975","0.086","","","","1.064","1.108","1.108","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003932","22.935","0.003","8.746","0.001","11.702","0.001","90","","95.66","0.01","90","","2335.9","0.5","298","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Ca N5 O13 -","- C18 H21 Ca N5 O13 -","- C72 H84 Ca4 N20 O52 -","4","1","NA1155","","Bis(2,4-dinitrophenolato)(triethanolamine)calcium(II)","Acta Crystallographica C","1995","51","","1788","1791","10.1107/S0108270195003714","","","0.71073","MoKα","","","0.063","","","0.057","","","","","1.178","1.178","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003933","8.892","0.001","8.614","0.001","18.094","0.001","90","","102.62","0.01","90","","1352.4","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 O2 P -","- C15 H15 O2 P -","- C60 H60 O8 P4 -","4","1","NA1158","Wieczorek, W.","(2-Methoxyphenyl)(phenyl)vinylphosphine Oxide","Acta Crystallographica Section C","1995","51","9","1849","1851","10.1107/S0108270195002642","","","1.54184","CuKα","","","0.04","","","0.046","","","","","2.41","2.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003934","4.233","0.001","4.233","0.001","31.039","0.009","90","","90","","90","","556.2","0.2","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I 41/a m d","-I 4bd 2","","","","","- Sc Sn2 -","- Sc Sn2 -","- Sc8 Sn16 -","8","","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.078","0.065","","0.125","0.124","","","","4.57","5.6","5.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003935","8.889","0.001","19.274","0.002","6.177","0.002","90","","90","","90","","1058.3","0.4","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I b a m","-I 2 2c","","","","","- Pb5 Sc6 -","- Pb5 Sc6 -","- Pb20 Sc24 -","4","0.25","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.08","0.054","","0.146","0.139","","","","0.92","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003936","10.002","0.002","14.274","0.003","21.976","0.004","90","","90","","90","","3137.5","1.1","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert- butyldiphenylsilyloxy)butylidene]benzylamine N-oxide","","- C32 H42 N2 O4 Si -","- C32 H42 N2 O4 Si -","- C128 H168 N8 O16 Si4 -","4","1","NA1167","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","(<i>Z</i>)-<i>N</i>-[(2<i>R</i>,3<i>R</i>)-2-(<i>tert</i>-Butoxycarbonylamino)-3-(<i>tert</i>-butyldiphenylsiloxy)butylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1995","51","9","1949","1950","10.1107/S0108270195004343","","","0.71073","MoKα","","0.1279","0.0568","","0.1593","0.1148","","","","1.078","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003937","24.032","0.004","8.109","0.002","24.014","0.003","90","","98.47","0.01","90","","4628.7","1.5","294","1","","","","","","","","","synthesized by the authors, see text","5","C 1 2/c 1","-C 2yc","15","3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c]quinolin-4(5H)-one cis-isomer","(3aS^*^,9bS^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c] quinolin-4(5H)-one","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C192 H192 N32 O16 S16 -","16","2","NA1185","Dao, D. C.; Ferguson, G.","(3a<i>S</i>^*^,9b<i>S</i>^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-<i>c</i>]quinolin-4(5<i>H</i>)-one","Acta Crystallographica Section C","1995","51","9","1823","1825","10.1107/S0108270195007311","","","0.71069","MolybdenumKα","","0.0617","0.0367","","0.1134","0.1062","","","","1.065","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003938","12.193","0.009","12.821","0.002","6.685","0.001","90","","90","","90","","1045","0.8","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cd N2 -","- C8 H18 Cd N2 -","- C32 H72 Cd4 N8 -","4","0.5","OH1068","Wang, X.; Sun, H.; Sun, X.; You, X.; Huang, X.","Me~2~Cd(dabco)","Acta Crystallographica Section C","1995","51","9","1754","1756","10.1107/S0108270194012291","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003939","27.571","0.004","5.062","0.001","17.284","0.003","90","","127.63","0.01","90","","1910.4","0.6","291","","","","","","","","","","aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag N O4 -","- C10 H6 Ag N O4 -","- C80 H48 Ag8 N8 O32 -","8","1","PA1128","Jaber, F.; Charbonnier, F.; Faure, R.","Silver(I) <i>N</i>-Phthaloylglycinate","Acta Crystallographica Section C","1995","51","9","1765","1767","10.1107/S0108270195002447","","","0.7107","MoKα","","","0.017","","","0.019","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003940","8.521","0.003","15.367","0.006","16.892","0.006","90","","90","","90","","2211.9","1.4","293","","293","","","","","","","","synth\`ese chimique","4","P 21 21 21","P 2ac 2ab","19","","1-mésityl-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] oxadiazolo [4,5-a] [1,5] benzodiazépine","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","PA1141","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","1-Mésityl-3a-méthyl-5-phényl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépine","Acta Crystallographica Section C","1995","51","9","1898","1900","10.1107/S0108270194010358","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003941","8.112","0.002","10.142","0.002","10.033","0.002","90","","74.49","0.03","90","","795.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-Phenylethyl)-3-aza-10-oxatricyclo[5.2.1.0exp1,5]dec-8-ene-4-oxo6-carboxylic methyl ester","","- C18 H19 N O4 -","- C23 H19 -","- C46 H38 -","2","1","PA1167","Pèpe, G.; Zylber, J.; Tubul, A.; Brun, P.","Methyl 4-Oxo-<i>N</i>-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0^1,5^]dec-8-ene-6-carboxylate","Acta Crystallographica Section C","1995","51","9","1915","1917","10.1107/S0108270195002460","","","1.5418","CuKα","","0.0362","0.0362","","0.0362","0.0362","","","","0.52","0.52","0.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003942","19.95","0.009","7.048","0.003","7.65","","81.26","0.03","86.34","0.03","88.78","0.04","1060.9","0.7","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H13 N7 S -","- C26 H13 N7 S -","- C52 H26 N14 S2 -","2","1","PA1168","Viossat, B.; Tomas, A.; Nguyen-Huy Dung; Mettey, Y.; Vierfond, J.-M.","12-Imino-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazine‒7,7,8,8-Tétracyano-<i>p</i>-quinodiméthane, IBB‒TCNQ","Acta Crystallographica Section C","1995","51","9","1896","1898","10.1107/S0108270195002472","","","0.71069","MoKα","","","0.042","","","0.044","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003943","11.576","0.002","10.6933","0.0007","11.582","0.002","90","","101.448","0.009","90","","1405.2","0.4","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","4","P 1 21/a 1","-P 2yab","14","","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","PA1170","Dupont, L.; Masereel, B.; Lambert, D.; Scriba, G.","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","Acta Crystallographica Section C","1995","51","9","1901","1903","10.1107/S0108270195001661","","","1.5418","CuKα","","0.0467","0.0347","","0.1063","0.1025","","","","1.073","1.192","1.192","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003944","9.636","0.002","19.634","0.003","8.215","0.002","90","","107.45","0.02","90","","1482.7","0.6","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0486","","","0.1098","","","","","0.886","0.886","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003945","14.586","0.002","8.583","0.001","12.186","0.002","90","","101.83","0.02","90","","1493.2","0.4","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0393","","","0.1077","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003946","9.5563","0.0003","13.8791","0.0008","10.929","0.0008","90","","111.648","0.002","90","","1347.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzamido-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide","","- C13 H10 N4 O3 S -","- C13 H10 N4 O3 S -","- C52 H40 N16 O12 S4 -","4","1","PA1176","Dupont, L.; De Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Benzamido-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","9","1903","1905","10.1107/S0108270195002459","","","1.5418","CuKα","","0.0391","0.0318","","0.0874","0.085","","","","1.039","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003947","7.484","0.001","10.735","0.001","7.1191","0.0009","98.37","0.01","109.59","0.01","105.98","0.01","499.84","0.12","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O6 -","- C9 H8 N2 O6 -","- C18 H16 N4 O12 -","2","1","PT1001","Jedrzejas, M. J.; Luo, M.; Singh, S.; Brouillette, W. J.; Air, G. M.","4-(Acetylamino)-3-hydroxy-5-nitrobenzoic Acid","Acta Crystallographica Section C","1995","51","9","1910","1912","10.1107/S0108270195003258","","","1.5418","CuKα","","","0.0517","","","0.0647","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003948","7.532","0.001","3.992","0.001","9.728","0.001","90","","90","","90","","292.5","0.09","293","2","","","","","","","","","see text","4","P m n 21","P 2ac -2","31","","","","- B2 Cs Nb O6 -","- B2 Cs Nb O6 -","- B4 Cs2 Nb2 O12 -","2","0.5","SH1104","Becker, P.; Bohatý, L.; Fröhlich, R.","CsNbOB~2~O~5~: the Basic Structure Type of the Borates <i>AM</i>OB~2~O~5~ (<i>A</i> = K, Rb, Cs, Tl; <i>M</i> = Nb, Ta)","Acta Crystallographica Section C","1995","51","9","1721","1723","10.1107/S0108270195002617","","","0.71073","MoKα","","","0.0241","","","0.0661","","","","","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003949","9.161","0.001","9.161","0.001","10.678","0.002","90","","90","","90","","896.1","0.2","293","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- K2 Ni O10 P2 W -","- K2 Ni O10 P2 W -","- K8 Ni4 O40 P8 W4 -","4","0.5","SH1105","Peuchert, U.; Bohatý, L.; Fröhlich, R.","K~2~NiWO~2~(PO~4~)~2~: a New Structure Type Related to KTiOPO~4~ (KTP)","Acta Crystallographica Section C","1995","51","9","1719","1721","10.1107/S0108270195004185","","","0.71073","MoKα","","0.0143","0.0173","","0.0325","0.033","","","","","1.117","1.117","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003950","13.199","0.003","6.108","0.001","20.971","0.004","90","","92.53","0.02","90","","1689","0.6","158","","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentacylo[6.4.0^1,5^.0^1,8^.0^7,11^.0^10,12^]dodecan-6-yl 3,5-dintrobenzoate","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","SZ1009","Lautens, M.; Lough, A. J.; Tam, W.","An Unusual <i>trans</i>-Fused Cyclopentane Ring System at 158 K","Acta Crystallographica Section C","1995","51","9","1944","1946","10.1107/S0108270195003490","","","0.71073","MoKα","","0.0758","0.0503","","0.1391","0.1303","","","","1.043","1.191","1.191","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003951","15.885","0.002","5.6895","0.0004","14.889","0.002","90","","93.359","0.009","90","","1343.3","0.3","299","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 O11 S2 -","- C24 H28 O11 S2 -","- C48 H56 O22 S4 -","2","0.5","SZ1011","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Younathan, E. S.","3,4-Di-<i>O</i>-acetyl-2,5-anhydro-1,6-di-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1995","51","9","1921","1923","10.1107/S0108270195003519","","","1.54184","CuKα","","","0.03","","","0.041","","","","","2.295","2.295","","","","","has coordinates","198471","2020-10-21","18:00:00",""
"2003952","14.14","0.006","9.586","0.003","16.118","0.007","90","","94.48","0.02","90","","2178.1","1.5","298","","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium hydrogen 2-sulfobenzoate dihydrate","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","TA1017","Ng, S. W.","Dicyclohexylammonium 2-Carboxybenzenesulfonate Dihydrate","Acta Crystallographica Section C","1995","51","9","1853","1855","10.1107/S0108270195003118","","","0.71073","MoKα","","0.1205","0.0575","","0.1509","0.1188","","","","1.009","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003953","11.8709","0.0008","13.625","0.002","13.8088","0.0014","88.684","0.009","75.199","0.007","72.618","0.007","2057.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrabutylbis[(N,N-diethylthiocarbamylthio)acetato]distannoxane dimer","","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","1","0.5","TA1020","Ng, S. W.; Kumar Das, V. G.","Tetrabutylbis[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato]distannoxane Dimer","Acta Crystallographica Section C","1995","51","9","1774","1776","10.1107/S0108270195003143","","","0.71073","MoKα","","0.0944","0.0501","","0.1133","0.0948","","","","1.025","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003954","19.582","0.002","7.668","0.002","14.138","0.002","90","","111.229","0.009","90","","1978.8","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl4 N3 Ru -","- C12 H26 Cl4 N3 Ru -","- C48 H104 Cl16 N12 Ru4 -","4","0.5","TA1023","Gheller, S. F.; Heath, G. A.; Hockless, D. C. R.","Tetraethylammonium Salt of <i>trans</i>-Bis(acetonitrile)tetrachlororuthenate(III), a Notable Optical Chromophore","Acta Crystallographica Section C","1995","51","9","1805","1807","10.1107/S0108270195003623","","","1.5418","CuKα","","0.0397","0.025","","0.0231","0.022","","","","","1.73","1.73","","","","","has coordinates","198475","2020-10-21","18:00:00",""
"2003955","9.132","0.002","12.248","0.002","13.622","0.003","95.72","0.02","105.6","0.02","89.91","0.02","1459.7","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N Os P3 -","- C26 H36 Cl2 N Os P3 -","- C52 H72 Cl4 N2 Os2 P6 -","2","1","TA1024","Yeomans, B. D.; Heath, G. A.; Hockless, D. C. R.","(Acetonitrile)-<i>trans</i>-dichloro-<i>mer</i>-tris[(dimethyl)phenylphosphine]osmium(III); the Kinetically Controlled Electrogenerated Isomer","Acta Crystallographica Section C","1995","51","9","1807","1809","10.1107/S0108270195003544","","","0.7107","MoKalpha","","0.0609","0.044","","0.0622","0.061","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003956","15.209","0.003","25.479","0.004","6.26","0.002","90","","90.01","0.02","90","","2425.8","1","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","1","VJ1012","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. I. A Peptidyl α-Keto Ester Derivative","Acta Crystallographica Section C","1995","51","9","1923","1925","10.1107/S0108270195003891","","","1.5418","CuKα","","","0.229","","","0.079","","","","","1.24","1.24","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003957","8.819","0.001","6.656","0.004","20.006","0.004","90","","93.34","0.01","90","","1172.3","0.8","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C50 H46 N6 O8 S2 -","2","1","VJ1013","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. II. A Peptidyl α-Keto Thiazole Derivative","Acta Crystallographica Section C","1995","51","9","1925","1927","10.1107/S0108270195003908","","","1.5418","CuKα","","","0.194","","","0.075","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003958","10.226","0.001","9.365","0.001","12.073","0.002","90","","95.58","0.01","90","","1150.7","0.3","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H25 N3 O4 S -","- C25 H25 N3 O4 S -","- C50 H50 N6 O8 S2 -","2","1","VJ1014","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. III. A Peptidyl α-Keto Benzothiazole Derivative","Acta Crystallographica Section C","1995","51","9","1927","1929","10.1107/S010827019500391X","","","1.5418","CuKα","","","0.2202","","","0.0735","","","","","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003959","14.98","0.002","6.05","0.002","13.31","0.002","90","","101.21","0.07","90","","1183.3","0.5","295","","","","","","","","","","Synthesized locally","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C40 H48 N8 O20 S4 -","4","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0615","","","0.0567","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003960","13.716","0.003","12.374","0.003","7.992","0.004","97.66","0.03","83.12","0.03","95.82","0.02","1329.6","0.8","297","","","","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C20 H28 Cu N4 O13 S2 -","- C20 H28 Cu N4 O13 S2 -","- C40 H56 Cu2 N8 O26 S4 -","2","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0574","","","0.0599","","","","","1.13","1.13","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2003961","15.665","0.001","16.352","0.003","17.252","0.001","90","","95.725","0.007","90","","4397.1","0.9","298","3","","","","","","","","","synthesis","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cl2 N4 Ni O8 -","- C14 H32 Cl2 N4 Ni O8 -","- C112 H256 Cl16 N32 Ni8 O64 -","8","2","AB1193","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>RS</i>)-5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","10","2018","2020","10.1107/S0108270195004458","","","0.71073","MoKα","","","0.048","","","0.058","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003962","11.203","0.002","12.368","0.002","14.849","0.003","90","","99.8","0.2","90","","2027.4","1.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","2","AB1212","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Reddy, M. M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). IV. An α-Epoxy Steroid","Acta Crystallographica Section C","1995","51","10","2102","2105","10.1107/S0108270195004409","","","0.71073","MoKα","","","0.05","","","0.053","","","","","0.992","0.992","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003963","10.881","0.002","19.772","0.003","21.563","0.003","90","","90","","90","","4639","1.3","298","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C48 H48 Cu2 N4 O10 -","- C24 H24 Cu N2 O5 -","- C192 H192 Cu8 N16 O40 -","8","1","AB1221","Hökelek, T.; Necefouglu, H.; Balcı, M.","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)","Acta Crystallographica Section C","1995","51","10","2020","2023","10.1107/S0108270195000618","","","0.71069","MoKα","","","0.0453","","","0.0486","","","","","0.36","0.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003964","7.414","0.002","11.981","0.002","22.826","0.006","90","","90","","90","","2027.6","0.8","290","","","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","AB1254","Rajnikant; Watkin, D.; Tranter, G.","3-Nitrobiphenyl","Acta Crystallographica Section C","1995","51","10","2071","2073","10.1107/S0108270195003593","","","0.71073","MoKα","","","0.045","","","0.0571","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003965","9.845","0.003","12.445","0.002","14.0154","0.0013","90","","92.154","0.012","90","","1716","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5a-p-Tolyl-5a,5b,6,7,8,9,9a,11-octahydroisoindolo [2,1-a]- benzimidazol-10-one","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","AB1256","Sillanpää, R.; Csende, F.; Stájer, G.","5a-<i>p</i>-Methylphenyl-5a,5b,6,7,8,9,9a,10-octahydro-5<i>H</i>-isoindolo[2,1-<i>a</i>]benzimidazol-10-one","Acta Crystallographica Section C","1995","51","10","2169","2171","10.1107/S0108270195005920","","","0.71069","MoKα","","0.1107","0.0441","","0.1164","0.0913","","","","1.025","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003966","8.313","0.005","9.717","0.005","12.151","0.004","70.86","0.04","88.56","0.04","82.11","0.05","918.3","0.8","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","pyruvic acid oxime","2-hydroxyiminopropanoic acid","","- C3 H5 N O3 -","- C3 H5 N O3 -","- C24 H40 N8 O24 -","8","4","AB1262","Maurin, J. K.","Resonance-Assisted Hydrogen Bonds Between Oxime and Carboxyl Groups. II. The Tetrameric Structure of Pyruvic Acid Oxime","Acta Crystallographica Section C","1995","51","10","2111","2113","10.1107/S0108270195005932","","","1.54178","CuKα","","0.0639","0.0393","","0.1139","0.1038","","","","1.016","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003967","19.746","0.005","12.403","0.003","7.254","0.002","90","","100.57","0.02","90","","1746.4","0.8","122","2","122","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","O-Methyl-THPO hydrochloride","O-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5c]pyridin-3-ol hydrochloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C56 H88 Cl8 N16 O16 -","8","1","AB1263","Frydenvang, K.; Hansen, L. M.; Jensen, B.","<i>O</i>-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5-<i>c</i>]pyridin-3-ol Hydrochloride, <i>O</i>-Me-THPO.HCl","Acta Crystallographica Section C","1995","51","10","2053","2057","10.1107/S010827019500446X","","","0.71073","MoKα","","0.1088","0.05","","0.1559","0.1239","","","","1.068","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003968","11.101","0.002","8.6795","0.0007","14.648","0.002","90","","100.457","0.011","90","","1387.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Ferrocenylquinoxaline","","- C18 H14 Fe N2 -","- C18 H14 Fe N2 -","- C72 H56 Fe4 N8 -","4","1","AB1268","Ferguson, G.; Glidewell, C.; Scott, J. P.","2-Ferrocenylquinoxaline","Acta Crystallographica Section C","1995","51","10","1989","1991","10.1107/S0108270195004094","","","0.7107","MoKα","","0.0598","0.0347","","0.0962","0.0901","","","","1.042","1.167","1.167","","","","","has coordinates","192281","2020-10-21","18:00:00",""
"2003969","9.065","0.002","10.858","0.002","14.118","0.003","89.59","0.03","71.94","0.03","83.63","0.03","1312.4","0.5","173","2","173","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Quinazolino[2,3-a]benzisoquinoline-2,14-dione","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C76 H40 N8 O8 -","4","2","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.1197","0.0696","","0.1982","0.1679","","","","1.043","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003970","9.354","0.002","14.13","0.003","11.923","0.002","90","","111.28","0.03","90","","1468.4","0.6","173","2","173","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-(o-amidophenyl)-1,8-naphthoyleneimide","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.0746","0.0475","","0.1357","0.1194","","","","1.03","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003971","26.114","0.005","9.859","0.002","13.273","0.003","90","","108.48","0.03","90","","3241","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N6 O4 -","- C15 H22 N6 O5 -","- C120 H176 N48 O40 -","8","1","AS1159","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline","Acta Crystallographica Section C","1995","51","10","2121","2123","10.1107/S0108270195003374","","","1.54184","CuKα","","","0.0667","","","0.0667","","","","","3.43","3.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003972","3.86","0.01","12.771","0.006","10.994","0.004","90","","93.93","0.08","90","","540.7","1.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C16 H6 O2 -","- C32 H12 O4 -","2","0.5","AS1161","Kingsford-Adaboh, R.; Kashino, S.","Disordered Structure of 2-Methylanthraquinone","Acta Crystallographica Section C","1995","51","10","2094","2096","10.1107/S0108270195003842","","","0.71073","MoKα","","","0.061","","","0.058","","","","","2.21","2.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003973","10.008","0.001","12.409","0.001","6.821","0.001","90","","99.5","0.01","90","","835.48","0.16","293","2","293","2","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluoren-9-one","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","1","AS1169","Fun, H.-K.; Sivakumar, K.; Zhu, D.-R.; You, X.-Z.","4,5-Diazafluoren-9-one","Acta Crystallographica Section C","1995","51","10","2076","2078","10.1107/S0108270195003854","","","0.71073","MoKα","","0.051","0.0439","","0.1324","0.1277","","","","1.057","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003974","7.815","0.001","8.116","0.001","24.972","0.002","90","","90","","90","","1583.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","14-methyl-7,14-dihydrodibenzo[a,j]acridine","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","AS1170","Ray, J. K.; Roy, B. C.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","14-Methyl-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine","Acta Crystallographica Section C","1995","51","10","2083","2085","10.1107/S0108270195004860","","","0.71073","MoKα","","0.0465","0.0332","","0.1447","0.0924","","","","1.044","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003975","21.811","0.007","10.177","0.001","16.006","0.002","90","","99.91","0.02","90","","3499.8","1.3","298","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","2","AS1171","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Bis[4-(dimethylamino)phenyl](<i>N</i>-methylcarbamoyl)amine, C~18~H~24~N~4~O","Acta Crystallographica Section C","1995","51","10","2198","2200","10.1107/S0108270195006196","","","1.54184","CuKα","","","0.055","","","0.068","","","","","2.85","2.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003976","10","0.003","25.705","0.006","7.323","0.002","90","","107.84","0.03","90","","1791.9","0.9","299","2","","","","","","","","","crystallization from CS~2~-ethanol","4","P 1 21 1","P 2yb","4","","","","- C33 H56 P2 S4 -","- C33 H56 P2 S4 -","- C66 H112 P4 S8 -","2","1","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.047","","","0.048","","","","","0.771","0.771","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003977","29.558","0.002","9.5439","0.0005","11.039","0.001","90","","101.157","0.009","90","","3055.2","0.4","294","1","","","","","","","","","crystallization from hexanes","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H56 P2 -","- C31 H56 P2 -","- C124 H224 P8 -","4","0.5","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.054","","","0.05","","","","","2.578","2.578","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003978","18.25","0.004","16.424","0.004","12.639","0.002","90","","113.56","0.02","90","","3472.6","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-N,N-dimethylaminobenzaldehyde-4,5-diazafluorene-9-hydrazone monohydrate.","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C160 H152 N40 O8 -","8","1","AS1177","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Dimethylaminobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone Monohydrate","Acta Crystallographica Section C","1995","51","10","2078","2080","10.1107/S0108270195004446","","","0.71073","MoKα","","0.0681","0.0399","","0.0994","0.0914","","","","0.879","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003979","10.431","0.002","13.477","0.002","15.016","0.004","109.56","0.02","101.56","0.02","109.14","0.01","1761.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","S-benzyl-β-N-(dimethylaminophenyl)methylendithiocarbazate.","","- C17 H19 N3 S2 -","- C17 H19 N3 S2 -","- C68 H76 N12 S8 -","4","2","AS1178","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Benzyl 3-(4-Dimethylaminobenzylidene)dithiocarbazate","Acta Crystallographica Section C","1995","51","10","2080","2083","10.1107/S0108270195004549","","","0.71069","MoKα","","0.0657","0.0464","","0.1382","0.1278","","","","1.049","1.169","1.169","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003981","9.374","0.002","11.217","0.001","12.015","0.002","90","","104.03","0.02","90","","1225.7","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","AS1181","Banwell, M. G.; Bridges, V. S.; Hockless, D. C. R.","1-[2(<i>Z</i>)-Bromo-3-phenyl-2-propenyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2128","2129","10.1107/S0108270195005579","","","1.5418","CuKα","","0.0397","0.035","","0.0397","0.038","","","","","2.41","2.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003982","11.263","0.001","18.507","0.002","7.449","0.001","90","","110.379","0.009","90","","1455.5","0.3","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-6,6'-dimethylbiindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.057","0.052","","0.066","0.066","","","","3.11","3.275","3.275","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003983","11.604","0.003","7.754","0.002","18.146","0.002","90","","102.71","0.01","90","","1592.7","0.6","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-4,4',7,7'-tetramethyl-1,1'-biindanylidene","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.056","0.054","","0.073","0.073","","","","2.474","2.52","2.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003984","12.119","0.001","7.821","0.001","12.107","0.001","90","","105.73","0.01","90","","1104.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-9-Methyl-1,5-dioxofuro[2,3-b]decalin","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","AS1184","Ray, J. K.; Kar, G. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","<i>trans</i>-4,4a,6,7,8,8a-Hexahydro-8a-methylnaphtho[2,3-<i>b</i>]furan-5,9(5<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","10","2090","2092","10.1107/S010827019500535X","","","0.71073","MoKα","","0.06","0.0424","","0.1209","0.1135","","","","0.999","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003985","9.8472","0.0005","12.2385","0.0006","23.5157","0.001","90","","101.292","0.004","90","","2779.1","0.2","302","","","","","","","","","","Evaporation from H~2~O","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H16 Co N7 S3 -","- C7 H16 Co N7 S3 -","- C56 H128 Co8 N56 S24 -","8","1","BK1060","Liu, Y.-H.; Fronczek, F. R.; Watkins, S. F.; Shaffer, G. W.; Musselman, R. L.","<i>trans</i>-Bis(isothiocyanato)bis(ethylenediamine)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1995","51","10","1992","1994","10.1107/S010827019500518X","","","0.71073","MoKα","","","0.024","","","0.032","","","","","1.677","1.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003986","9.566","0.001","9.566","0.001","12.042","0.002","90","","90","","120","","954.3","0.2","291","","","","","","","","","","crystallized from hexane","6","P 63/m","-P 6c","176","","","","- C11 H15 Cl Fe2 O6 Si3 -","- C9 Cl3 Fe2 O6 Si3 -","- C18 Cl6 Fe4 O12 Si6 -","2","0.166667","BK1089","Simons, R. S.; Tessier, C. A.","Diiron Complex with Three Bridging Silyl Substituents","Acta Crystallographica Section C","1995","51","10","1997","1998","10.1107/S0108270195002873","","","0.71073","MoKα","","","0.0351","","","0.0429","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003987","5.8981","0.0006","9.235","0.001","11.101","0.002","97.85","0.01","90.38","0.01","98.87","0.01","591.59","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cl2 N6 O9 -","- C3 H11 Cl2 N6 O9 -","- C6 H22 Cl4 N12 O18 -","2","1","BK1103","Martin, A.; Pinkerton, A. A.","Melaminium Diperchlorate Hydrate","Acta Crystallographica Section C","1995","51","10","2174","2177","10.1107/S0108270195003921","","","0.71073","MoKα","","0.029","0.026","","","0.035","","","","","3.35","3.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003988","8.052","0.002","5.488","0.002","19.308","0.002","90","","95.39","0.01","90","","849.4","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 Ni O6 -","- C14 H18 N4 Ni O6 -","- C28 H36 N8 Ni2 O12 -","2","0.5","BK1125","Okabe, N.; Tamaki, K.","Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section C","1995","51","10","2004","2005","10.1107/S0108270195005816","","","0.71069","MoKα","","","0.033","","","0.049","","","","","2.31","2.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003989","15.243","0.006","15.384","0.006","29.716","0.009","90","","90","","90","","6968","4","120","0.2","120","0.2","","","","","","","see prep","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2α,3β,23-triacetoxyurs-12,18-dien-28-oate","","- C37 H54 O8 -","- C37 H54 O8 -","- C296 H432 O64 -","8","2","BM1010","Cox, P. J.; Durham, D. G.; Liu, X.; Richards, R. M. E.","Methyl 2α,3β,23-Triacetoxyurs-12,18-dien-28-oate","Acta Crystallographica Section C","1995","51","10","2135","2137","10.1107/S0108270195005774","","","0.71069","MoKα","","0.1029","0.0452","","0.0891","0.0747","","","","0.644","0.898","0.898","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003990","9.9075","0.0007","12.4566","0.0013","16.047","0.002","90","","90","","90","","1980.4","0.4","294","1","294","1","","","","","","","see prep","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,4aS,10aR)-5-acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6- oxo-2H-pyrano[3,2-g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","BM1014","Low, J. N.; Cadoret, E.; Ferguson, G.; López, M. D.; Quijano, M. L.; Sánchez, A.; Nogueras, M.","A Triacetyl Derivation of a Pyrano[3,2-<i>g</i>]pteridine","Acta Crystallographica Section C","1995","51","10","2141","2143","10.1107/S0108270195005956","","","0.71073","MolybdenumKα","","0.082","0.042","","0.058","0.052","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003991","9.561","0.002","5.557","0.002","6.179","0.002","90","","98.85","0.02","90","","324.38","0.17","296","","","","","","","","","","grown from melt composition of BaNaBO~3~","4","C 1 2/m 1","-C 2y","12","","","","- B Ba Na O3 -","- B Ba Na O3 -","- B4 Ba4 Na4 O12 -","4","0.5","BR1082","Tu, J.-M.; Keszler, D. A.","BaNaBO~3~","Acta Crystallographica Section C","1995","51","10","1962","1964","10.1107/S010827019400750X","","","0.71069","MoKα","","","0.033","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003992","10.9547","0.0009","8.4281","0.0007","18.962","0.002","90","","90.314","0.007","90","","1750.7","0.3","150","","150","","","","","","","","from silicate melt","4","P 1 21/m 1","-P 2yb","11","cesium-lithium phyllosilicate","cesium-lithium phyllosilicate'","","- Cs1.33 Li0.67 O5 Si2 -","- Cs1.33333 Li0.666667 O5 Si2 -","- Cs16 Li8 O60 Si24 -","12","3","BR1107","Veldman, N.; Spek, A. L.; Supèr, H. T. J.; de Jong, B. H. W. S.","Caesium‒Lithium Phyllosilicate, Cs~1.33~Li~0.67~Si~2~O~5~","Acta Crystallographica Section C","1995","51","10","1972","1975","10.1107/S0108270195005257","","","0.71073","MoKα","","0.0452","0.0394","","0.115","0.144","","","","1.13","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003993","10.099","0.003","15.04","0.004","9.917","0.002","90","","98.05","0.02","90","","1491.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu N6 O6 -","- C8 H24 Cu N6 O6 -","- C32 H96 Cu4 N24 O24 -","4","0.5","DE1004","Narayanan, B.; Bhadbhade, M. M.","Non-Thermochromic Bis(<i>N</i>,<i>N</i>-dimethylethylenediamine)copper(II) Dinitrate","Acta Crystallographica Section C","1995","51","10","2016","2018","10.1107/S0108270195004859","","","0.71073","MoKα","","","0.03","","","0.055","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003994","24.122","0.003","13.321","0.002","7.509","0.001","90","","101.6","0.01","90","","2363.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","DU1107","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","2-Méthyl-7-phényl-3,5-dithioxo-3,4,5,6-tétrahydro-2<i>H</i>-1,2,4-triazépine","Acta Crystallographica Section C","1995","51","10","2066","2068","10.1107/S0108270195001314","","","0.71069","MoKα","","","0.0327","","","0.0317","","","","","3.73","3.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003995","7.8067","0.0006","12.3221","0.001","10.4078","0.001","90","","111.174","0.007","90","","933.59","0.14","293","2","293","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","","Potassium Yttrium Tetrametaphosphate","","- K O12 P4 Y -","- K O12 P4 Y -","- K4 O48 P16 Y4 -","4","0.5","DU1117","Hamady, A.; Jouini, T.; Driss, A.","KYP~4~O~12~","Acta Crystallographica Section C","1995","51","10","1970","1972","10.1107/S0108270195002381","","","0.7106","MoKα","","0.0298","0.0264","","0.0661","0.0648","","","","1.117","1.138","1.138","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003996","12.326","0.003","7.088","0.002","12.365","0.003","90","","110.08","0.02","90","","1014.6","0.5","293","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","DU1119","Julien-Pouzol, M.; Jaulmes, S.","Redétermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~","Acta Crystallographica Section C","1995","51","10","1966","1968","10.1107/S0108270195003763","","","0.71069","MoKα","","","0.0407","","","0.0508","","","","","0.28","0.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003997","8.849","0.002","15.53","0.003","10.422","0.003","90","","108.04","0.02","90","","1361.8","0.6","293","2","293","2","","","","","","","Stenborn & Ludwig (1993b)","6","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato-N,N')(methyl)(triphenylphosphine)rhodium(III)","","- C27 H32 N4 O4 P Rh -","- C27 H32 N4 O4 P Rh -","- C54 H64 N8 O8 P2 Rh2 -","2","1","FG1053","Potočňák, I.; Dunaj-Jurčo, M.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(methyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1995","51","10","1999","2001","10.1107/S0108270195004240","","","0.71069","MoKα","","0.0313","0.0202","","0.1229","0.0496","","","","0.981","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003998","6.155","0.001","32.871","0.005","9.27","0.001","90","","100.87","0.01","90","","1841.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N2 O Se2 -","- C8 H7 N2 O Se2 -","- C64 H56 N16 O8 Se16 -","8","2","FG1061","Parvez, M.; Boeré, R. T.; Moock, K. H.","A Dimer of 4-(4-Methoxyphenyl)-1,2,3,5-diselenadiazole","Acta Crystallographica Section C","1995","51","10","2118","2121","10.1107/S0108270195004252","","","0.71069","MoKα","","","0.053","","","0.053","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003999","19.244","0.007","19.244","0.007","9.651","0.002","90","","90","","120","","3095.2","1.7","293","1","293","1","","","","","","","Synthesised by Gleiter et al, 1984","4","R -3 :H","-R 3","148","3,7-bis(tert-Butyl)-1,5,2,4,6,8-dithiatetrazocine","","","- C10 H18 N4 S2 -","- C10 H18 N4 S2 -","- C90 H162 N36 S18 -","9","0.5","FG1068","Parvez, M.; Boeré, R. T.; Derrick, S.; Moock, K. H.","3,7-Di-<i>tert</i>-butyl-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1995","51","10","2116","2118","10.1107/S010827019500521X","","","0.71069","MoKα","","0.0711","0.0384","","0.1339","0.1141","","","","0.952","0.984","0.984","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004000","9.992","0.001","13.743","0.002","14.885","0.002","90","","91.35","0.01","90","","2043.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[tricarbonyl(tri-isopropyl phosphite)cobalt] dichloromethane solvate","","- C25 H44 Cl2 Co2 O12 P2 -","- C25 H42 Cl1.98 Co2 O12 P2 -","- C50 H84 Cl3.96 Co4 O24 P4 -","2","0.5","FG1073","Farrar, D. H.; Lough, A. J.; Poë, A. J.; Stromnova, T. A.","Bis[tricarbonyl(triisopropyl phosphite)cobalt](<i>Co</i>—<i>Co</i>) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","10","2008","2010","10.1107/S0108270195005014","","","0.71073","MoKα","","0.1494","0.0472","","0.1428","0.107","","","","1.005","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004002","9.036","0.001","19.834","0.001","12.16","0.001","90","","100.81","0.01","90","","2140.6","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N8 O2 S2 -","- C14 H22 Cl2 N8 O2 S2 -","- C56 H88 Cl8 N32 O8 S8 -","4","1","HR1053","Urtiaga, M. K.; Arriortua, M. I.; García-Tojal, J.; Rojo, T.","Pyridine-2-carbaldehyde Thiosemicarbazone Hydrochloride Monohydrate, 2C~7~H~9~N~4~S^+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","10","2172","2174","10.1107/S0108270195005324","","","0.71073","MoKα","","","0.064","","","0.1631","","","","","1.113","1.113","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2004003","10.497","0.006","8.405","0.004","17.17","0.01","90","","95.59","0.03","90","","1507.7","1.4","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.0349","","","0.0359","","","","","0.253","0.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004004","8.273","0.002","10.248","0.003","11.113","0.002","111.87","0.02","103.61","0.01","101.35","0.02","806.5","0.4","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N -","- C22 H17 N -","- C44 H34 N2 -","2","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.06","","","0.0631","","","","","0.478","0.478","","","","","has coordinates","198482","2020-10-21","18:00:00",""
"2004005","5.274","0.001","12.087","0.001","20.053","0.002","90","","90","","90","","1278.3","0.3","296","2","296","2","","","","","","","SIGMA Chemical Co.","4","P b c a","-P 2ac 2ab","61","DL- PROLINE MONOHYDRATE","DL- PROLINE MONOHYDRATE","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C40 H88 N8 O24 -","8","1","HU1113","Padmanabhan, S.; Suresh, S.; Vijayan, M.","<small>DL</small>-Proline Monohydrate","Acta Crystallographica Section C","1995","51","10","2098","2100","10.1107/S0108270195003465","","","0.71068","MoKα","","0.0475","0.0391","","0.1107","0.1066","","","","1.049","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004006","12.563","0.003","14.083","0.004","15.308","0.003","90","","102.17","0.02","90","","2647.5","1.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyano-2-(2,3,6,7-tetramethoxy-10-diethylaminomethylphenanthr-9-yl)pyrrolidine","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","HU1121","Kabaleeswaran, V.; Rajan, S. S.; Thiruvalluvar, A.; Parthasarathi, V.","2-(10-Diethylaminomethyl-2,3,6,7-tetramethoxy-9-phenanthrylmethyl)-1-pyrrolidinecarbonitrile","Acta Crystallographica Section C","1995","51","10","2189","2192","10.1107/S0108270195003428","","","1.5418","CuKα","","","0.067","","","0.072","","","","","1.8","1.8","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004007","3.8437","0.0003","3.8437","0.0003","12.688","0.0015","90","","90","","90","","187.45","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","strontium lanthanum gallate","strontium lanthanum gallate","","- Ga La O4 Sr -","- Ga La O4 Sr -","- Ga2 La2 O8 Sr2 -","2","0.0625","JZ1003","Britten, J. F.; Dabkowska, H. A.; Dabkowski, A. B.; Greedan, J. E.; Campbell, J. L.; Teesdale, W. J.","Czochralski-Grown SrLaGaO~4~","Acta Crystallographica Section C","1995","51","10","1975","1977","10.1107/S0108270194011820","","","0.56086","AgKα","","0.0324","0.0272","","0.0679","0.0662","","","","1.156","1.187","1.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004008","8.544","0.003","13.193","0.001","13.616","0.001","90","","90.23","0.02","90","","1534.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 1","4-[2-(4'-nitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0555","","","0.1369","","","","","1.116","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004009","8.607","0.002","33.918","0.008","11.43","0.002","90","","90.54","0.02","90","","3336.6","1.2","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 2","4-[2-(2',4'-dinitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H15 N3 O6 -","- C17 H15 N3 O6 -","- C136 H120 N24 O48 -","8","2","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0802","","","0.2022","","","","","1.044","1.011","1.011","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004010","12.38","0.01","10.11","0.01","11.44","0.01","123.2","0.1","77.9","0.1","100","0.1","1168","2","286","","288","","","","","","","","","5","P -1","-P 1","2","","bis(tetraphenylphosphonium) tetraazidodimethylstannate(II)","","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","1","0.5","JZ1036","Halfpenny, J.","Bis(tetraphenylphosphonium) Tetraazidodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","10","2044","2046","10.1107/S0108270195005269","","","0.7107","MoKα","","","0.038","","","0.038","","","","","0.427","0.427","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004011","15.305","0.004","3.8628","0.0004","7.467","0.002","90","","105.34","0.04","90","","425.72","0.18","293","1","293","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tantal(IV)oxiddiiodid","","- I2 O Ta -","- I2 O Ta -","- I8 O4 Ta4 -","4","0.5","JZ1041","Ruck, M.","TaOI~2~: Eine zentrosymmetrische Variante der NbOI~2~-Struktur","Acta Crystallographica Section C","1995","51","10","1960","1962","10.1107/S0108270195003799","","","0.71073","MoKα","","0.0894","0.0467","","0.0614","0.0539","","","","1.006","1.079","1.079","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004012","6.19","0.001","12.278","0.001","14.11","0.001","110.79","0.01","99.18","0.01","103.87","0.01","937.3","0.2","296","","","","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H22 Au O P Si -","- C16 H22 Au O P Si -","- C32 H44 Au2 O2 P2 Si2 -","2","1","JZ1043","Bauer, A.; Schier, A.; Schmidbaur, H.","(Methyldiphenylphosphine)(trimethylsiloxy)gold(I)","Acta Crystallographica Section C","1995","51","10","2030","2032","10.1107/S0108270195003775","","","0.71073","MoKα","","","0.0277","","","0.0303","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004013","14.397","0.001","17.432","0.001","8.535","0.001","90","","112.6","0.01","90","","1977.5","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N4 O5 -","- C20 H22 Cu0.5 N4 O4.5 -","- C80 H88 Cu2 N16 O18 -","4","0.5","JZ1045","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","Heptacoordinate Cu^II^ in <i>catena</i>-Poly[aquabis(benzimidazole-<i>N</i>^3^)copper(II)-μ-adipato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section C","1995","51","10","1985","1987","10.1107/S0108270195005968","","","1.54184","CuKα","","","0.044","","","0.118","","","","","1.037","1.037","","","","","has coordinates,has disorder","192020","2020-10-21","18:00:00",""
"2004014","6.724","0.001","8.721","0.001","18.692","0.003","90","","90","","90","","1096.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","JZ1046","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-μ-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']","Acta Crystallographica Section C","1995","51","10","1987","1989","10.1107/S0108270195004707","","","1.54184","CuKα","","","0.0462","","","0.047","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004015","6.225","0.002","9.369","0.002","10.794","0.002","87.54","0.02","73.81","0.02","83.7","0.02","600.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","1","0.5","JZ1048","Pohl, E.; Herbst-Irmer, R.; Huhn, T.; Groth, U.","A Diaza-<i>cyclo</i>-tetradecadiene‒Bis(pyrido-silafuran) Ring System","Acta Crystallographica Section C","1995","51","10","2145","2147","10.1107/S0108270195005117","","","0.71073","MoKα","","0.062","0.0563","","0.1609","0.1506","","","","1.098","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004016","10.817","0.005","12.62","0.004","11.502","0.004","90","","91.44","0.02","90","","1569.6","1","293","","293","","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","KA1116","Judas, N.; Kaitner, B.; Mestrovic, E.","3,3-Dibenzylpentane-2,4-dione, C~19~H~20~O~2~","Acta Crystallographica Section C","1995","51","10","2123","2125","10.1107/S0108270195004690","","","0.7093","MolybdenumKα","","","0.032","","","0.043","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004017","11.683","0.002","12.388","0.003","15.978","0.003","75.62","0.03","86","0.03","65.12","0.03","2030.5","0.9","295","","","","","","","","","","see text","4","P -1","-P 1","2","","","","- C48 H24 Gd N13 -","- C48 H24 Gd N13 -","- C96 H48 Gd2 N26 -","2","1","KA1117","Janczak, J.; Kubiak, R.","Gadolinium(III) Bicyclic Phthalocyanine","Acta Crystallographica Section C","1995","51","10","2039","2042","10.1107/S0108270195005300","","","0.71073","MoKα","","","0.047","","","0.068","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004018","10.293","0.012","14.21","0.03","15.6","0.03","90","0.02","90","0.05","90","0.06","2282","7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","KA1122","Weber, H. P.; Ettmayer, P.; Hübner, M.; Gstach, H.","(3<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Benzyl-4-hydroxy-3-[1(<i>S</i>)-(1,1-dimethylethoxycarbonylamino)-2-phenylethyl]pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","10","2139","2141","10.1107/S010827019500504X","","","1.54184","CuKα","","","0.068","","","0.069","","","","","3.113","3.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004019","9.065","0.001","21.295","0.003","21.976","0.003","90","","98.669","0.001","90","","4193.8","0.9","296","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl Co2 La O20 P6 -","- C22 H50 Cl Co2 La O20 P6 -","- C88 H200 Cl4 Co8 La4 O80 P24 -","4","1","KH1012","Cho, I. Y.; Yeo, H. J.; Jeong, J. H.; Song, C. E.","Di(aqua)bis[(η^5^-cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']lanthanum(III) Chloride","Acta Crystallographica Section C","1995","51","10","2035","2037","10.1107/S0108270195000473","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.068","1.068","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004020","7.037","0.001","7.645","0.001","13.445","0.001","90","","90","","90","","723.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydrazinium L-tartrate","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C16 H40 N8 O24 -","4","1","KH1026","Fun, H.-K.; Sivakumar, K.; Jiang, Y.-Z.; Sun, J.; Zhou, Z.-Y.","Hydrazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1995","51","10","2085","2087","10.1107/S0108270195005488","","","0.71073","MoKα","","0.0363","0.0314","","0.0811","0.0791","","","","0.989","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004021","9.082","0.002","10.778","0.002","11.088","0.003","76.93","0.01","83.41","0.01","80.78","0.01","1040.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","7-dimethylamino-4-methylcoumarin","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","2","KH1033","Yip, B.-C.; Yaw, O.-L.; Ong, L.-H.; Fun, H.-K.; Sivakumar, K.","Coumarin 311","Acta Crystallographica Section C","1995","51","10","2087","2089","10.1107/S0108270195005476","","","0.71073","MoKα","","0.0658","0.0523","","0.1688","0.1688","","","","1.116","1.241","1.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004022","5.425","0.001","17.618","0.002","12.173","0.002","90","","97.07","0.02","90","","1154.6","0.3","293","","","","","","","","","","synthesis and recrystallization","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","KH1036","Wong, W.-T.; Lee, S.-M.","2-(Phenylmethylthio)benzaldehyde","Acta Crystallographica Section C","1995","51","10","2137","2139","10.1107/S0108270195005981","","","0.71073","MoKα","","","0.038","","","0.062","","","","","1.912","1.912","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004023","27.511","0.005","6.666","0.003","17.351","0.003","90","","115.3","0.03","90","","2876.8","1.6","296","","296","","","","","","","","synthesized at UMIST","4","C 1 2/c 1","-C 2yc","15","","Ethyl-6,7-bis(trifluoromethyl)isocumarin-3-carboxylate","","- C14 H8 F6 O4 -","- C14 H8 F6 O4 -","- C112 H64 F48 O32 -","8","1","LI1134","Abubakar, A. B.; Pritchard, R. G.; Suliman, N. N. E.; Tipping, A. E.","Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels‒Alder Cycloaddition Involving Two Different α,β-Unsaturated Esters","Acta Crystallographica Section C","1995","51","10","2100","2102","10.1107/S0108270195004781","","","0.71069","MoKα","","","0.068","","","0.042","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004024","9.426","0.002","17.744","0.004","12.137","0.002","90","","102.04","0.03","90","","1985.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromodichloromethylphenylmercury","","","- C7 H5 Br Cl2 Hg -","- C7 H5 Br1.002 Cl1.998 Hg -","- C56 H40 Br8.016 Cl15.984 Hg8 -","8","2","MD1001","Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E.","(Bromodichloromethyl)phenylmercury","Acta Crystallographica Section C","1995","51","10","2033","2035","10.1107/S0108270195004501","","","0.71073","MoKα","","0.1367","0.0467","","0.0957","0.0738","","","","1.037","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004025","8.127","0.005","9.952","0.002","9.992","0.003","72.17","0.02","76.76","0.03","68.31","0.03","708.7","0.5","293","","","","","","","","","","recrystallized from chloroform","5","P -1","-P 1","2","","","","- C14 H12 I N Te -","- C14 H12 I N Te -","- C28 H24 I2 N2 Te2 -","2","1","MU1134","Hamor, T. A.; Maslakov, A. G.; McWhinnie, W. R.","1-Iodo-2-<i>p</i>-tolyl-1-tellura-2-azaindene","Acta Crystallographica Section C","1995","51","10","2062","2064","10.1107/S0108270194010802","","","0.71069","MoKα","","","0.0278","","","0.0382","","","","","0.67","0.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004026","15.967","0.001","15.967","0.001","15.348","0.004","90","","90","","90","","3912.9","1.1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(bromo)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')platinum(II)]","","- C10 H20 Br2 Cu2 N2 Pt S4 -","- C10 Br2 Cu2 N2 Pt0.5 S4 -","- C80 Br16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.045","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004027","15.835","0.002","15.835","0.002","15.037","0.003","90","","90","","90","","3770.5","1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(chloro)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')-platinum(II)]","","- C10 H20 Cl2 Cu2 N2 Pt S4 -","- C10 Cl2 Cu2 N2 Pt0.5 S4 -","- C80 Cl16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.038","","","0.037","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004028","17.55","0.012","11.75","0.008","18.531","0.009","90","","91.52","0.04","90","","3820","4","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,7,10,13-pentaoxa-16,19-dithiacyclohenicosane sesquihydrate","","- C14 H31 O6.5 S2 -","- C14 H31 O6.5 S2 -","- C112 H248 O52 S16 -","8","2","MU1168","Blake, A. J.; Gould, R. O.; Harris, S. G.; Parsons, S.; Radek, C.; Schröder, M.","1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane Sesquihydrate at 150 K","Acta Crystallographica Section C","1995","51","10","2186","2189","10.1107/S0108270195005142","","","0.71073","Mo-Kα","","0.1352","0.0714","","0.2805","0.1766","","","","1.097","1.172","1.172","","","","","has coordinates,has disorder","194562","2020-10-21","18:00:00",""
"2004029","10.859","0.002","18.443","0.003","15.299","0.005","90","","92.66","0.02","90","","3060.7","1.3","293","2","293","2","","","","","","","see below","6","P 1 21/n 1","-P 2yn","14","","Tris(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C22 H37 N3 O S6 Te -","- C22 H37 N3 O S6 Te -","- C88 H148 N12 O4 S24 Te4 -","4","1","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.1063","0.0328","","0.1631","0.0849","","","","1.093","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004030","11.1827","0.0007","16.0827","0.0015","17.383","0.0013","108.3","0.007","100.623","0.006","96.12","0.006","2871.6","0.4","293","2","293","2","","","","","","","see below","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato)phenyltellurium(IV)","","- C21 H35 N3 S6 Te -","- C21 H35 N3 S6 Te -","- C84 H140 N12 S24 Te4 -","4","2","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.0814","0.0327","","0.1085","0.0797","","","","1.066","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004031","17.067","0.007","8.425","0.003","9.597","0.004","90","","90","","90","","1379.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(3S,4R,7S,8R,9R)-4-methyl-7-(2-propyl)-4,5,6,7,8,9-hexahydro-2-oxo- 3-benzofuranoic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MU1174","Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A.","Configuration and Conformation of (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid","Acta Crystallographica Section C","1995","51","10","2166","2169","10.1107/S0108270195005361","","","1.54178","Cu-Kα","","0.0977","0.038","","0.1298","0.0891","","","","0.817","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004032","6.922","0.001","12.297","0.001","6.922","0.001","90","","113.85","0.01","90","","538.89","0.13","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 Cu N6 O8 -","- C6 H8 Cu N6 O8 -","- C12 H16 Cu2 N12 O16 -","2","0.5","MU1175","Simonsen, O.; la Cour, A.","A Copper‒Nitromalonamide Complex","Acta Crystallographica Section C","1995","51","10","2006","2008","10.1107/S0108270195005270","","","0.71073","MoKα","","0.031","0.027","","0.027","0.027","","","","7.287","7.678","7.678","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004033","11.103","0.004","13.223","0.007","17.079","0.006","90","","95.29","0.04","90","","2496.8","1.8","296","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Mn N3 O4 -","- C29 H24 Mn N3 O4 -","- C116 H96 Mn4 N12 O16 -","4","1","MU1177","Xiong, R.-G.; You, X.-Z.; Wu, Q.-J.; Huang, X.-Y.","Tris(8-quinolinolato-<i>N</i>,<i>O</i>)manganese(III) Ethanol Solvate","Acta Crystallographica Section C","1995","51","10","1978","1980","10.1107/S0108270195005373","","","0.71069","MoKα","","","0.064","","","0.069","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004034","10.668","0.001","14.687","0.002","18.82","0.002","90","","90","","90","","2948.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.","","- C17 H14 N4 O S -","- C17 H13.4 N4 O S -","- C136 H107.2 N32 O8 S8 -","8","1","MU1178","Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.","4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-<i>e</i>][1,2,4]triazolo[4,3-<i>a</i>]pyrimidin-5(4<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2092","2094","10.1107/S0108270195005129","","","0.71073","MoKα","","0.0459","0.0341","","0.0996","0.0938","","","","1.037","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004035","6.85","0.004","12.852","0.005","15.537","0.005","90","","96.33","0.04","90","","1359.5","1.1","291","","","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Au B Cl2 F4 N2 -","- C10 H8 Au B Cl2 F4 N2 -","- C40 H32 Au4 B4 Cl8 F16 N8 -","4","1","MU1181","McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J.","2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","10","2023","2025","10.1107/S0108270195005099","","","0.71073","MoKα","","","0.0437","","","0.0592","","","","","1.284","1.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004036","30.195","0.004","30.195","0.004","14.871","0.002","90","","90","","120","","11742","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one","","- C48 H52 Cu4 N4 O8 -","- C48 H52 Cu4 N4 O8 -","- C432 H468 Cu36 N36 O72 -","9","1","MU1182","Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.","Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one","Acta Crystallographica Section C","1995","51","10","1980","1982","10.1107/S0108270195005634","","","0.71073","MoKα","","0.0566","0.0473","","0.1342","0.1294","","","","1.036","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004037","10.2314","0.0009","12.1988","0.0013","12.4854","0.0006","89.937","0.006","102.916","0.006","111.827","0.007","1404.2","0.2","298","","298","2","","","","","","","","5","P -1","-P 1","2","","Bromotriphenyl(diphenylcyclopropenone)lead","","- C33 H25 Br O Pb -","- C33 H25 Br O Pb -","- C66 H50 Br2 O2 Pb2 -","2","1","MU1189","Ng, S. W.","Bromo(diphenylcyclopropenone)triphenyllead","Acta Crystallographica Section C","1995","51","10","2042","2044","10.1107/S0108270195005397","","","0.71073","MoKα","","0.1276","0.0545","","0.1069","0.0846","","","","1.025","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004038","7.45","0.002","13.184","0.002","10.388","0.001","90","","100.87","0.01","90","","1002","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd(Sacch)~2~(NH~3~)~4~","Tetra-amminebis(1,2-benzisothiazol-3(2H)-one 1,1-dioxide)-N-cadmium","","- C14 H20 Cd N6 O6 S2 -","- C14 H20 Cd N6 O6 S2 -","- C28 H40 Cd2 N12 O12 S4 -","2","0.5","NA1152","Pascual, I.","Tetraamminebis(saccharinato-<i>N</i>)cadmium","Acta Crystallographica Section C","1995","51","10","2028","2030","10.1107/S0108270195002903","","","0.71073","MoKα","","0.2006","0.0651","","0.1208","0.0908","","","","1.036","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004039","49.34","0.01","10.675","0.002","9.372","0.002","90","","98.22","0.02","90","","4885.6","1.7","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","C 1 c 1","C -2yc","9","","1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]- 1H-benzimidazol-2-amine","","- C28 H31 F N4 O -","- C28 H31 F N4 O -","- C224 H248 F8 N32 O8 -","8","2","NA1156","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","1-[(4-Fluorophenyl)methyl]-<i>N</i>-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1<i>H</i>-benzimidazol-2-amine (Astemizole)","Acta Crystallographica Section C","1995","51","10","2132","2135","10.1107/S0108270195004331","","","1.54184","CuKα","","0.0547","0.0396","","0.1225","0.1065","","","","1.054","1.067","1.067","","","","","has coordinates","198442","2020-10-21","18:00:00",""
"2004040","6.139","0.003","9.231","0.005","13.273","0.004","90","","97.26","0.05","90","","746.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N S2 -","- C6 H9 N S2 -","- C24 H36 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.044","","","","","1.356","1.356","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004041","5.359","0.002","10.433","0.005","16.812","0.006","90","","91.49","0.04","90","","939.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.0431","","","","","0.793","0.793","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004042","8.629","0.003","12.282","0.006","8.844","0.003","90","","98.02","0.04","90","","928.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004043","13.544","0.003","6.8416","0.0008","14.2204","0.0006","90","","94.044","0.008","90","","1314.4","0.3","150","2","150","2","","","","","","","Chemical synthesis","5","P 1 21/a 1","-P 2yab","14","","trimethyl[(trimethylstannyl)methyl]ammoniumiodide","","- C7 H20 I N Sn -","- C7 H20 I N Sn -","- C28 H80 I4 N4 Sn4 -","4","1","NA1164","Cox, P. J.; Wardell, J. L.","Trimethyl[(trimethylstannyl)methyl]ammonium Iodide","Acta Crystallographica Section C","1995","51","10","2037","2039","10.1107/S0108270195004495","","","0.71069","MoKα","","0.0395","0.034","","0.096","0.086","","","","0.92","0.979","0.979","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004044","10.184","0.002","13.362","0.001","16.429","0.001","90","","90","","90","","2235.6","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","NA1165","Puliti, R.; De Rosa, S.; Mattia, C. A.","Studies on Avarol Derivatives. 2',5'-Diacetylavarol from <i>Dysidea Avara</i>","Acta Crystallographica Section C","1995","51","10","2163","2166","10.1107/S0108270195004720","","","1.54056","CuKα","","","0.047","","","0.055","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004045","32.885","0.003","8.983","0.002","19.043","0.002","90","","101.49","0.01","90","","5512.7","1.5","208","2","208","2","","","","","","","[TcNCl~2~(Me~2~PhP)~3~] + NaEt~2~dtp","7","C 1 2/c 1","-C 2yc","15","","Dichloro(O,O'-diethyldithiophosphato-S,S')- bis(dimethylphenylphosphine)technetium(III)","","- C20 H32 Cl2 O2 P3 S2 Tc -","- C20 H32 Cl2 O2 P3 S2 Tc -","- C160 H256 Cl16 O16 P24 S16 Tc8 -","8","1","NA1169","Abram, U.; Abram, S.; Dilworth, J. R.","<i>trans</i>-Dichloro(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>,<i>S</i>')bis(dimethylphenylphosphine)technetium(III)","Acta Crystallographica Section C","1995","51","10","1983","1985","10.1107/S0108270195005063","","","0.7093","MoKα","","0.0377","0.0271","","0.0753","0.0689","","","","1.068","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004046","8.5973","0.0005","16.592","0.0008","30.202","0.002","90","","90","","90","","4308.2","0.4","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-4-[(2-Benzothiazolyl)methylamino]-α-[(3,4-difluorophenoxy)methyl]- piperidineethanol","","- C22 H25 F2 N3 O2 S -","- C25 H26.5 F3 N3 O2 S -","- C200 H212 F24 N24 O16 S8 -","8","2","NA1175","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","(+)-(<i>S</i>)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole)","Acta Crystallographica Section C","1995","51","10","2129","2132","10.1107/S0108270195005439","","","1.54184","CuKα","","0.0591","0.0524","","0.1541","0.154","","","","1.039","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004047","7.653","0.004","15.98","0.01","17.57","0.01","90","","90","","90","","2149","2","293","","293","","","","","","","","Kali-Chemie, Pharma GmbH, Hannover, Germany","5","P b c 21","P 2c -2b","29","","1,8-Dimethyl-2-[(3-furancarbonyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1182","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1995","51","10","2177","2179","10.1107/S0108270195006949","","","1.54184","CuKα","","0.0344","0.0334","","0.0885","0.0885","","","","1.068","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004048","11.631","0.003","11.066","0.001","10.563","0.002","90","","99.04","0.02","90","","1342.7","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Co N5 O7 -","- C8 H16 Co N5 O7 -","- C32 H64 Co4 N20 O28 -","4","1","NS1000","Egan, T. J.; Baldwin, D. A.; Denner, L.; Levendis, D. C.; Marques, H. M.","Guanidinium β-<i>cis</i>-(Carbonato-<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>'-ethylenediaminediacetato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'')cobaltate(III)","Acta Crystallographica Section C","1995","51","10","1994","1997","10.1107/S010827019500463X","","","0.71073","MoKα","","","0.0349","","","0.081","","","","","0.906","0.906","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004049","10.253","0.001","13.061","0.001","16.593","0.001","112.94","0.01","99.4","0.01","91.09","0.01","2010.5","0.3","200","2","200","2","","","","","","","ethanol","6","P -1","-P 1","2","","2,4,6-Tris(2-pyridyl)-1,3,5-triazyllithium tetraphenylborate bis(ethanol) solvate","","- C46 H44 B Li N6 O2 -","- C46 H44 B Li N6 O2 -","- C92 H88 B2 Li2 N12 O4 -","2","1","NS1001","Schödel, H.; Van, T. T. H.; Bock, H.","2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","10","2001","2004","10.1107/S0108270195004641","","","0.71073","MoKα","","0.0851","0.06","","0.181","0.1547","","","","1.021","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004050","16.636","0.003","16.733","0.003","17.19","0.003","90","","98.25","0.01","90","","4735.7","1.5","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Ag2 I4 N4 O19 W6 -","- C64 Ag2 I4 N4 O19 W6 -","- C128 Ag4 I8 N8 O38 W12 -","2","0.5","OH1075","Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J.","Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^<i>n^</i>Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]","Acta Crystallographica Section C","1995","51","10","2013","2015","10.1107/S0108270195005038","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004052","9.845","0.002","11.513","0.004","3.775","0.001","90","","90","","90","","427.9","0.2","295","","","","","","","","","","see text","4","P b a m","-P 2 2ab","55","","","","- O8 S2 Sm2 Ta3 -","- O8 S2 Sm2 Ta4 -","- O16 S4 Sm4 Ta8 -","2","0.25","OH1081","Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q.","Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~","Acta Crystallographica Section C","1995","51","10","1964","1966","10.1107/S0108270195005026","","","0.71069","MoKα","","","0.058","","","0.076","","","","","1.33","1.33","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004053","7.6178","0.0009","7.6178","0.0009","7.2537","0.0007","90","","90","","120","","364.54","0.07","297","","","","","","","","","","see text","4","R 3 2 :H","R 3 2""","155","","","","- Ba H3 I O6 -","- Ba H3 I O6 -","- Ba3 H9 I3 O18 -","3","0.166667","OH1082","Sasaki, M.; Yarita, T.; Sato, S.","Ba[H~3~IO~6~]","Acta Crystallographica Section C","1995","51","10","1968","1970","10.1107/S0108270195004744","","","0.71069","MoKα","","","0.011","","","0.014","","","","","1.29","1.29","","","","","has coordinates","211153","2020-10-21","18:00:00",""
"2004054","12.2439","0.0012","10.6348","0.0009","14.0329","0.0013","90","","117.964","0.006","90","","1613.9","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","C 1 2/c 1","-C 2yc","15","","3-methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","1","PA1157","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","10","2064","2066","10.1107/S0108270194014447","","","1.5418","CuKα","","0.0324","0.0284","","0.0784","0.0769","","","","1.034","1.084","1.084","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004055","8.156","0.002","13.017","0.003","13.035","0.003","90","","89.81","0.02","90","","1383.9","0.6","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","PA1163","Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P.","Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent","Acta Crystallographica Section C","1995","51","10","2179","2182","10.1107/S0108270195004586","","","0.71069","MoKα","","","0.0389","","","0.0383","","","","","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004056","8.448","0.002","9.383","0.003","21.14","0.007","90","","90","","90","","1675.7","0.9","293","","293","","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4S)-N-methyl-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4- tetrahydroisoquinolinium","","- C17 H18 B F4 N O -","- C17 H18 B F4 N O -","- C68 H72 B4 F16 N4 O4 -","4","1","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004057","9.13","0.007","15.082","0.012","9.506","0.007","90","","100.36","0.03","90","","1287.6","1.7","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(1S,2R,3R,4S)-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.045","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004058","8.517","0.006","15.512","0.009","25.925","0.014","90","","90","","90","","3425","4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-12 dihydro, 7-triethylsilyl, 10-deacetylbaccatin III.","","- C35 H52 O10 Si -","- C35 H52 O10 Si -","- C140 H208 O40 Si4 -","4","1","PA1173","Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F.","A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III","Acta Crystallographica Section C","1995","51","10","2050","2053","10.1107/S0108270195004616","","","1.5418","CuKα","","","0.041","","","0.056","","","","","0.96","0.96","","","","","has coordinates,has disorder","190593","2020-10-21","18:00:00",""
"2004059","12.801","0.001","7.819","0.001","15.169","0.002","90","","101.08","0.01","90","","1490","0.3","293","","","","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","PA1179","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate","Acta Crystallographica Section C","1995","51","10","2147","2148","10.1107/S0108270195006688","","","1.5418","CuKα","","","0.044","","","0.046","","","","","4.34","4.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004060","10.712","0.004","9.902","0.001","19.562","0.003","90","","101.25","0.02","90","","2035.1","0.9","290","","290","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C13 H12 O -","- C13 H11 O -","- C104 H88 O8 -","8","4","PA1180","Rajnikant; Watkin, D.; Tranter, G.","Biphenyl-2-methanol","Acta Crystallographica Section C","1995","51","10","2161","2163","10.1107/S0108270195005002","","","1.54184","CuKα","","","0.0706","","","0.0764","","","","","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004061","8.77","0.02","20.42","0.03","13.17","0.02","90","","90","","90","","2359","7","200","2","200","2","","","","","","","isolated from needles of Taxus chinensis; after CC-separation and purification recrystallisation from n-hexane/ EtOH.","3","P 21 21 21","P 2ac 2ab","19","","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4b,20-epoxy-taxa-11-ene","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","1","SE1076","Wiedenfeld, H.; Knoch, F.; Zhang, Z. P.","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus <i>Taxus chinensis</i>","Acta Crystallographica Section C","1995","51","10","2184","2186","10.1107/S010827019500429X","","","0.71073","MoKα","","0.0847","0.0393","","0.0957","0.0837","","","","0.708","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004062","9.759","0.001","27.561","0.001","8.941","0.001","90","","114.87","0.01","90","","2181.8","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N O P S -","- C21 H30 N O P S -","- C84 H120 N4 O4 P4 S4 -","4","1","SH1109","Wieczorek, W.","[3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide","Acta Crystallographica Section C","1995","51","10","2108","2110","10.1107/S0108270195004100","","","1.54184","CuKα","","","0.049","","","0.053","","","","","2.03","2.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004063","11.35","0.003","13.838","0.003","10.509","0.003","90","","100.15","0.02","90","","1624.7","0.7","296","","","","","","","","","","Recrystallization from ether/petroleum ether at 253 K","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H17 Br O2 -","- C80 H68 Br4 O8 -","4","1","SZ1004","Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L.","A Structure with Through-Space Cyclopropyl π-Interaction","Acta Crystallographica Section C","1995","51","10","2059","2062","10.1107/S0108270195003477","","","0.71073","MoKα","","","0.0622","","","0.0625","","","","","2.3818","2.3818","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004064","9.3901","0.0015","18.497","0.003","4.2114","0.0005","90.65","0.01","102.86","0.01","73.09","0.01","681.17","0.18","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","SZ1006","Zacharias, D. E.; Glusker, J. P.; Harvey, R. G.","4,5-Dihydrobenzo[<i>a</i>]pyrene-4,5-<i>trans</i>-(<i>e</i>,<i>e</i>)-diol","Acta Crystallographica Section C","1995","51","10","2096","2098","10.1107/S0108270195003489","","","1.5418","CuKα","","","0.045","","","0.058","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004065","5.564","0.002","17.816","0.011","17.028","0.009","90","","92.1","0.04","90","","1686.8","1.5","288","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O10 -","- C15 H20 O10 -","- C60 H80 O40 -","4","1","SZ1017","Baughman, R. G.; Sands, R. D.","Methyl 1-Hydroxy-2,4,6-trimethoxycarbonyl-3-oxo-1-cyclohexaneacetate","Acta Crystallographica Section C","1995","51","10","2068","2071","10.1107/S0108270195003532","","","0.71073","MoKα","","","0.071","","","0.127","","","","","1.027","1.027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004066","5.923","0.001","6.803","0.001","19.554","0.005","90","","90","0.03","90","","787.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dicyclohexyl-dithiooxamide.","","- C14 H24 N2 S2 -","- C14 H24 N2 S2 -","- C28 H48 N4 S4 -","2","0.5","SZ1025","Perec, M.; Baggio, R.; Garland, M. T.","<i>N</i>,<i>N</i>'-Dicyclohexyldithiooxamide","Acta Crystallographica Section C","1995","51","10","2182","2184","10.1107/S0108270195006391","","","0.71073","MoKα","","0.0262","0.0254","","0.0747","0.0645","","","","0.267","0.234","0.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004067","5.394","0.002","11.725","0.002","20.062","0.005","90","","95.48","0.02","90","","1263","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicyclohexylammonium chloride","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","TA1015","Ng, S. W.","Dicyclohexylammonium Chloride","Acta Crystallographica Section C","1995","51","10","2149","2150","10.1107/S0108270195003131","","","0.71073","MoKα","","0.0629","0.0398","","0.1027","0.0929","","","","1.039","1.107","1.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004068","10.664","0.002","9.829","0.004","20.058","0.002","90","","105.315","0.005","90","","2027.7","0.9","298","","298","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","bis(dicyclohexylammonium trithiocarbodiglycolate trithiocarbodiglycolic acid","","- C17 H29 N O4 S3 -","- C17 H29 N O4 S3 -","- C68 H116 N4 O16 S12 -","4","1","TA1016","Ng, S. W.","Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid","Acta Crystallographica Section C","1995","51","10","2150","2152","10.1107/S010827019500312X","","","0.71073","MoKα","","0.0849","0.0435","","0.1186","0.0999","","","","0.992","1.067","1.067","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2004069","6.732","0.002","24.375","0.004","12.027","0.003","90","","115.1","0.02","90","","1787.2","0.8","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","VJ1022","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.","Archangelin","Acta Crystallographica Section C","1995","51","10","2196","2198","10.1107/S0108270195005506","","","0.71073","MoKα","","","0.051","","","0.154","","","","","0.679","0.679","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004070","13.538","0.003","10.798","0.003","24.646","0.002","90","","91.4","0.03","90","","3601.8","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Ca N10 O14 -","- C36 H20 Ca N10 O13.9 -","- C144 H80 Ca4 N40 O55.6 -","4","1","AB1176","Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P.","<i>trans</i>-Bis(1,10-phenanthroline)-<i>trans</i>-bis(2,4,6-trinitrophenolato-<i>O</i>,<i>O</i>')calcium(II)","Acta Crystallographica Section C","1995","51","11","2235","2238","10.1107/S0108270195005233","","","1.54184","CuKα","","","0.061","","","0.061","","","","","1.59","1.59","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004071","16.4845","0.0007","8.0579","0.0004","21.8436","0.0013","90","","98.812","0.005","90","","2867.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","endo-5-methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]deca-8-en-3-one","","- C17 H18 O Se -","- C17 H18 O Se -","- C136 H144 O8 Se8 -","8","2","AB1222","Moers, F. G.; Smits, J. M. M.; Beurskens, P. T.; Zhu, J.; Klunder, A. J. H.","<i>endo</i>-5-Methyl-<i>exo</i>-6-phenylseleno-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section C","1995","51","11","2335","2338","10.1107/S0108270195006251","","","0.71073","MoKα","","0.1784","0.0584","","0.0928","0.0685","","","","1.101","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004072","15.011","0.008","8.862","0.004","9.068","0.004","90","","107.5","0.02","90","","1150.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diglycyl-glycine methyl ester hydrochloride","","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","AB1258","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","Hydrogen Bonding in Glycyl-glycyl-glycine Methyl Ester Hydrochloride","Acta Crystallographica Section C","1995","51","11","2362","2364","10.1107/S0108270195005646","","","0.71069","MoKα","","0.0646","0.0484","","0.1541","0.1394","","","","1.045","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004073","10.857","0.003","11.445","0.002","13.916","0.003","87.51","0.02","80.91","0.02","73.42","0.03","1636.5","0.7","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl N O3 P -","- C16 H19 Cl N O3 P -","- C64 H76 Cl4 N4 O12 P4 -","4","2","AB1259","Liu, X.-L.; Zhou, Y.; Li, W.-Z.; Fan, Z.; Miao, F.-M.; Mao, L.-J.; Chen, R.-Y.","Dimethyl [α-(Benzylamino)-<i>p</i>-chlorobenzyl]phosphonate","Acta Crystallographica Section C","1995","51","11","2350","2352","10.1107/S0108270195005245","","","0.71073","MoKα","","","0.055","","","0.056","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004074","8.142","0.009","17.617","0.008","10.479","0.004","90","","107.23","0.07","90","","1435.6","1.9","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Ni O4 P2 S4 -","- C18 H32 N4 Ni O4 P2 S4 -","- C36 H64 N8 Ni2 O8 P4 S8 -","2","0.5","AB1261","Huang, X.-Y.; Xiong, R.-G.; You, X.-Z.","The Adduct of Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato)nickel(II) with 3-Aminopyridine","Acta Crystallographica Section C","1995","51","11","2261","2263","10.1107/S0108270195004999","","","0.71073","MoKα","","","0.04","","","0.051","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004079","9.025","0.003","6.695","0.001","7.721","0.001","90","","116.18","0.01","90","","418.66","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Na Zn Zr2 -","- F11 Na Zn Zr2 -","- F22 Na2 Zn2 Zr4 -","2","0.25","AB1265","Kettani, M. H.; Avignant, D.; Metin, J.","Na<i>M</i>^II^Zr~2~F~11~ (<i>M</i>^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica Section C","1995","51","11","2207","2210","10.1107/S0108270195006081","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004080","12.38","0.002","11.194","0.002","26.892","0.005","90","","90","","90","","3726.7","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene","1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","2","AB1266","Stadnicka, K.; Zeslawski, W.","1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene","Acta Crystallographica Section C","1995","51","11","2377","2381","10.1107/S0108270195007402","","","0.7093","MoKα~1~","","0.0593","0.0317","","0.0809","0.0709","","","","1.066","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004081","12.666","0.001","8.552","0.002","8.034","0.002","90","","95.49","0.01","90","","866.2","0.3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.0509","0.0342","","0.0438","0.0413","","","","","1.669","1.669","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004082","12.766","0.002","8.566","0.001","8.136","0.001","90","","94.84","0.01","90","","886.5","0.2","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.1203","0.0465","","0.045","0.039","","","","","1.801","1.801","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004083","9.502","0.003","9.98","0.004","10.68","0.004","90","","90","","90","","1012.8","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","AB1286","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.","({-})-(1<i>S</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile","Acta Crystallographica Section C","1995","51","11","2315","2317","10.1107/S0108270195008316","","","0.71069","MoKα","","0.039","0.0365","","0.0881","0.0876","","","","1.096","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004084","11.529","0.004","17.725","0.005","7.172","0.005","90","","90","","90","","1465.6","1.2","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","AB1289","Linden, A.; Lee, C. K.","Methyl 2,2^1^-Anhydro-4,6-<i>O</i>-benzylidene-3-deoxy-3-<i>C</i>-[(<i>R</i>)-2-hydroxyethyl]-α-<small>D</small>-<i>allo</i>-pyranoside at 173 K","Acta Crystallographica Section C","1995","51","11","2320","2322","10.1107/S0108270195008997","","","0.71069","MoKα","","0.0777","0.0453","","0.0432","0.0399","","","","","1.598","1.598","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004085","9.005","0.001","9.416","0.001","9.269","0.001","90","","90.58","0.01","90","","785.89","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diethyl thiourea","","- C5 H12 N2 S -","- C5 H12 N2 S -","- C20 H48 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1003","0.0723","","0.2364","0.2153","","","","1.021","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004086","10.463","0.002","9.276","0.002","10.596","0.003","90","","107.83","0.02","90","","979","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diisopropyl thiourea","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C28 H64 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.0477","0.0395","","0.1153","0.1116","","","","1.058","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004087","7.951","0.002","25.576","0.009","5.689","0.002","90","","90","","90","","1156.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diphenyl thiourea","","- C13 H12 N2 S -","- C13 H12 N2 S -","- C52 H48 N8 S4 -","4","0.5","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1221","0.0676","","0.2088","0.1775","","","","0.933","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004088","7.949","0.001","9.071","0.002","14.032","0.004","77.58","0.02","77.73","0.02","64.18","0.01","881.3","0.4","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C18 H48 Cl4 Cu2 N8 O16 -","2","1","AS1183","Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.","Diperchlorato[(2<i>RS</i>,5<i>SR</i>,9<i>RS</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]copper(II)","Acta Crystallographica Section C","1995","51","11","2275","2277","10.1107/S0108270195006226","","","0.71073","MoKα","","","0.034","","","0.036","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004089","7.693","0.002","9.178","0.001","22.982","0.004","90","","116.59","0.02","90","","1451","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophilline p-nitroaniline complex","","","- C13 H14 N6 O4 -","- C13 H14 N6 O4 -","- C52 H56 N24 O16 -","4","1","AS1190","Zaitu, S.; Miwa, Y.; Taga, T.","1:1 Molecular Complex of Theophylline and <i>p</i>-Nitroaniline","Acta Crystallographica Section C","1995","51","11","2390","2392","10.1107/S010827019500864X","","","1.54178","CuKα","","","0.07","","","0.075","","","","","0.8","0.8","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2004090","11.518","0.001","11.518","0.001","19.966","0.004","90","","90","","120","","2293.9","0.5","294","","21","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Fe N3 O15 S6 -","- C12 H36 Fe N3 O18 S6 -","- C36 H108 Fe3 N9 O54 S18 -","3","0.166667","BK1054","Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","Hexakis(dimethyl sulfoxide-<i>O</i>)iron(III) Trinitrate","Acta Crystallographica Section C","1995","51","11","2249","2252","10.1107/S0108270195005695","","","0.7107","MoKα","","","0.0435","","","0.054","","","","","5.165","5.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004091","7.467","0.002","8.161","0.003","10.717","0.002","80.81","0.02","73.64","0.02","71.71","0.02","593.1","0.3","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N4 O6 Zn -","- C6 H14 N4 O6 Zn -","- C12 H28 N8 O12 Zn2 -","2","1","BK1082","Yar, O.; Lessinger, L.","Bis(acetato-<i>O</i>)bis(urea-<i>O</i>)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]","Acta Crystallographica Section C","1995","51","11","2282","2285","10.1107/S0108270195006974","","","0.71069","MoKα","","0.0423","0.0319","","","0.0806","","","","","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004092","11.416","0.001","11.749","0.001","14.501","0.001","105.08","0.01","109.83","0.01","95.33","0.01","1731.1","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","1","0.5","BK1099","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]","Acta Crystallographica Section C","1995","51","11","2271","2273","10.1107/S0108270195004628","","","0.71073","MoKα","","","0.029","","","0.038","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004093","7.643","0.001","11.578","0.002","13.117","0.002","69.69","0.05","80.57","0.06","86.87","0.05","1073.9","0.5","297","","297","","","","","","","","","5","P -1","-P 1","2","","1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)-benzene","","- C20 H20 N4 O6 S2 -","- C20 H20 N4 O6 S2 -","- C40 H40 N8 O12 S4 -","2","1","BK1112","Bolger, J.; Gourdon, A.","1-Amino-2-nitro-4,5-bis(<i>p</i>-toluenesulfonamido)benzene","Acta Crystallographica Section C","1995","51","11","2395","2397","10.1107/S0108270195006950","","","0.71069","MoKα","","","0.034","","","0.034","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004094","5.682","0.002","7.186","0.006","17.775","0.002","90","","92.75","0.02","90","","724.9","0.7","294.2","","294.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl N -","- C12 H28 Cl N -","- C24 H56 Cl2 N2 -","2","1","BK1118","Silver, J.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Dodecylammonium Chloride","Acta Crystallographica Section C","1995","51","11","2432","2434","10.1107/S0108270195006858","","","0.7107","MoKα","","","0.035","","","0.0307","","","","","1.928","1.928","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004095","8.6495","0.0014","9.857","0.002","12.375","0.003","102.11","0.02","89.77","0.02","104.65","0.02","996.7","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-methyl-1,2,3,5-diselenadiazolyl","","- C4 H6 N4 Se4 -","- C4 H6 N4 Se4 -","- C16 H24 N16 Se16 -","4","2","BK1120","Bryan, C. D.; Cordes, A. W.; Oakley, R. T.; von Spence, R. E.","4,4'-Dimethyl-1,1'-bi(1,2,3,5-diselenadiazole)","Acta Crystallographica Section C","1995","51","11","2402","2404","10.1107/S0108270195006147","","","0.71073","MoKα","","0.133","0.047","","0.081","0.064","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004096","8.2444","0.0015","10.7401","0.0013","20.049","0.003","90","","95.057","0.014","90","","1768.3","0.5","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisila- bicyclo[3,3,3]undecane","","- C36 H30 As2 O6 Si3 -","- C36 H30 As2 O6 Si3 -","- C72 H60 As4 O12 Si6 -","2","1","BK1128","Ferguson, G.; O'Leary, B.; Spalding, T. R.","An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane","Acta Crystallographica Section C","1995","51","11","2312","2315","10.1107/S0108270195006159","","","0.7107","MolybdenumKα","","0.043","0.029","","0.04","0.038","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004097","15.163","0.003","28.912","0.008","16.286","0.006","90","","91.02","0.02","90","","7139","4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 Fe2 N12 O9 -","- C72 H84 Fe2 N12 O9 -","- C288 H336 Fe8 N48 O36 -","4","1","BK1130","Schaefer, W. P.; Ellis, P. E.; Lyons, J. E.; Shaikh, S. N.","A μ-Oxo-bis[iron(III) porphyrin] Complex","Acta Crystallographica Section C","1995","51","11","2252","2255","10.1107/S0108270195005701","","","0.71073","MoKα","","","","","","0.013","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004098","8.388","0.002","10.527","0.002","19.73","0.004","90","","90","","90","","1742.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","BK1141","Merino, P.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. I. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-2,3-<i>O</i>-isopropylidene-1-(1-methylimidazol-2-yl)-<small>D</small>-<i>threo</i>-triitol","Acta Crystallographica Section C","1995","51","11","2400","2401","10.1107/S0108270195006962","","","0.71073","MoKα","","0.0854","0.0467","","0.1251","0.1027","","","","1.029","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004099","11.5304","0.0006","12.2492","0.0005","10.2645","0.0006","90","","91.89","0.01","90","","1448.95","0.13","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(5-chloro-2-nitrophenyl)-disulphide","","- C12 H6 Cl2 N2 O4 S2 -","- C12 H6 Cl2 N2 O4 S2 -","- C48 H24 Cl8 N8 O16 S8 -","4","0.5","BK1145","Garcia, J. G.; Haydar, S. N.; Krapcho, A. P.; Fronczek, F. R.","Bis(5-chloro-2-nitrophenyl) Disulfide","Acta Crystallographica Section C","1995","51","11","2333","2335","10.1107/S0108270195008055","","","0.71073","MoKα","","","0.033","","","0.044","","","","","2.173","2.173","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004100","6.658","0.001","11.528","0.002","5.695","0.002","101.47","0.03","95.59","0.02","92.24","0.02","425.58","0.19","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 As N O6 -","- C6 H3 As N O6 -","- C12 H6 As2 N2 O12 -","2","1","BM1011","Nuttall, R. H.; Hunter, W. N.","Redetermination of 4-Hydroxy-3-nitrobenzenearsonic Acid","Acta Crystallographica Section C","1995","51","11","2342","2344","10.1107/S0108270195007542","","","1.54184","CuKα","","","0.058","","","0.082","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004101","8.568","0.009","9.333","0.004","11.972","0.013","75.52","0.08","69.61","0.07","80.45","0.07","865.6","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κO:κO')-bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)- dicopper(II)","","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","1","0.5","BM1015","Clarke, A. J.; Carmichael, A. J.; Errington, W.; Moore, P.","Tetrakis(μ-acetato-<i>O</i>:<i>O</i>')bis(1,5,9-triazacyclododecane-2,4-dione-<i>N</i>^9^)dicopper(II)(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section C","1995","51","11","2279","2282","10.1107/S0108270195006512","","","0.71073","MoKα","","0.0524","0.0358","","0.1257","0.0863","","","","1.201","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004102","7.019","0.001","7.019","0.001","12.925","0.002","90","","90","","120","","551.46","0.14","296","","296","","","","","","","","","5","P 32 2 1","P 32 2""","154","sodium cerium sulfate monohydrate","","","- Ce H2 Na O9 S2 -","- Ce H2 Na O10 S2 -","- Ce3 H6 Na3 O30 S6 -","3","0.5","BR1102","Blackburn, A. C.; Gerkin, R. E.","Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2215","2218","10.1107/S0108270195006135","","","0.71073","MoKα","","","0.017","","","0.03","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004103","11.991","0.005","20.666","0.002","24.082","0.004","67.616","0.01","77.54","0.02","87.58","0.02","5383","3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","fac-Tricarbonyl-tris(triphenyl phospite)molybdenum","","- C57 H45 Mo O12 P3 -","- C57 H45 Mo O12 P3 -","- C228 H180 Mo4 O48 P12 -","4","2","CF1001","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>fac</i>-Tricarbonyltris(triphenyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1995","51","11","2238","2242","10.1107/S0108270195006603","","","0.7107","MolybdenumKα","","0.2479","0.0908","","0.22","0.1694","","","","0.808","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004104","4.5232","0.0008","10.5764","0.001","14.8003","0.0014","90","","90","","90","","708.03","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H7 Br0.34 Cl0.66 O3 -","- C6 H7 Br0.339 Cl0.661 O3 -","- C24 H28 Br1.356 Cl2.644 O12 -","4","1","CF1006","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue","Acta Crystallographica Section C","1995","51","11","2450","2453","10.1107/S0108270195006615","","","0.71073","MoKα","","0.0508","0.0347","","0.0864","0.0821","","","","0.938","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004105","22.031","0.018","14.474","0.018","6.002","0.005","90","","90.42","0.1","90","","1914","3","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-[3'-(4-bromophenyl)-1'-phenylpyrazol-5'-yl] 2H-1-benzopyran-2-one","","- C24 H15 Br N2 O2 -","- C24 H15 Br N2 O2 -","- C96 H60 Br4 N8 O8 -","4","1","CF1011","Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","1995","51","11","2406","2407","10.1107/S0108270195007438","","","0.71073","MoKα","","0.0832","0.0832","","0.1623","0.1623","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004106","30.061","0.014","7.218","0.004","14.283","0.008","90","","103.26","0.04","90","","3017","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3-(4-methylphenyl)-5-cyanomethylpyrazole","","- C18 H15 N3 -","- C18 H15 N3 -","- C144 H120 N24 -","8","2","CF1012","Singh, S. K.; Kumar, A.; Vats, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole","Acta Crystallographica Section C","1995","51","11","2404","2406","10.1107/S0108270195007773","","","0.71073","MoKα","","0.1053","0.1053","","0.194","0.194","","","","1.035","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004107","25.585","0.0014","11.841","0.002","8.012","0.003","90","","104.03","0.02","90","","2354.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(carboxymethyl)-2,6-dichloropurine ethyl ester","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C72 H64 Cl16 N32 O16 -","8","1","CF1024","Chan, D. M. C.; Schwalbe, C. H.; Sood, G.; Fraser, W.","9-(Carboxymethyl)-2,6-dichloropurine Ethyl Ester. An Intermediate for Peptidic Nucleic Acid Synthesis","Acta Crystallographica Section C","1995","51","11","2383","2386","10.1107/S0108270195008705","","","0.71069","MoKα","","0.0682","0.0353","","0.1064","0.0906","","","","1.015","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004108","17.411","0.002","15.756","0.002","10.593","0.001","90","","107.19","0.01","90","","2776.1","0.6","300","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Co P -","- C35 H32 Co P -","- C140 H128 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.036","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004109","15.31","0.002","22.997","0.003","11.928","0.001","90","","103.35","0.01","90","","4086.2","0.8","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Co P -","- C55 H40 Co P -","- C220 H160 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.065","","","0.059","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004110","16.459","0.004","28.668","0.004","10.269","0.003","90","","100.54","0.02","90","","4764","2","300","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Co Si4 -","- C49 H57 Co Si4 -","- C196 H228 Co4 Si16 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.06","","","0.083","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004111","6.86","0.008","18.938","0.002","16.224","0.004","90","","92.78","0.07","90","","2105","3","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O4 P2 S4 -","- C36 H52 N2 Ni O4 P2 S4 -","- C72 H104 N4 Ni2 O8 P4 S8 -","2","0.5","CR1171","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","The Adduct of Bis(<i>O</i>,<i>O</i>'-dibutyl dithiophosphato)nickel(II) with Isoquinoline","Acta Crystallographica Section C","1995","51","11","2263","2265","10.1107/S0108270195006019","","","0.71069","MoKα","","","0.049","","","0.058","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004112","13.758","0.005","5.391","0.001","16.844","0.004","90","","93","0.03","90","","1247.6","0.6","296","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","CR1180","Schaefer, W. P.; Abulū, J.","An Indanyl Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1995","51","11","2364","2366","10.1107/S0108270195005609","","","0.71073","MoKα","","","","","","","","","","","2.95","2.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004113","10.989","0.004","20.086","0.003","11.058","0.003","90","","110.5","0.3","90","","2286","5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","CR1183","Krishnaiah, M.; Jagadeesh Kumar, N.; Bhaskar Reddy, D.; Muralidhar Reddy, M.; Soriano, M.; Chen, Y.-S.; Narasinga Rao, S.","Methyl 6-Benzoyl-3,5-diphenyl-1,4-thiomorpholine-2-carboxylate 1,1-Dioxide","Acta Crystallographica Section C","1995","51","11","2426","2428","10.1107/S010827019500583X","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004114","13.049","0.001","10.411","0.001","12.317","0.003","90","","105.5","0.1","90","","1612.4","0.9","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","CR1184","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.","5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)","Acta Crystallographica Section C","1995","51","11","2424","2426","10.1107/S0108270195005555","","","0.71073","MoKα","","","0.05","","","0.062","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004115","17.5076","0.0001","6.6859","0.0001","13.0147","0.0001","90","","94.48","0.01","90","","1518.77","0.03","23","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl O4 S -","- C17 H11 Cl O4 S -","- C68 H44 Cl4 O16 S4 -","4","1","CR1186","Krishnaiah, M.; Narayana Raju, K. V.; Lu, I-L.; Chen, Y.-S.; Narasinga Rao, S.","3-[2-(4-Chlorophenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1995","51","11","2429","2430","10.1107/S0108270195006597","","","0.71073","MoKα","","","0.033","","","0.05","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004116","7.6922","0.0005","14.1688","0.0008","19.3663","0.0011","90","","90","","90","","2110.7","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β-hydroxy-16α-methylandrosta-1,4-diene-3,17-dione 2-butynoate","","- C24 H27 F O4 -","- C24 H27 F O4 -","- C96 H108 F4 O16 -","4","1","CR1188","Brock, C. P.; Song, J.","9α-Fluoro-16α-methyl-3,17-dioxoandrosta-1,4-dien-11β-yl 2-Butynoate","Acta Crystallographica Section C","1995","51","11","2437","2439","10.1107/S0108270195006020","","","0.71073","MoKα","","0.0908","0.0387","","0.1065","0.0897","","","","1","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004117","10.3828","0.0007","12.2813","0.0007","10.931","0.0009","90","","91.207","0.006","90","","1393.55","0.17","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-2,4,6-triazatricyclo[5.4.2.0^2,6^]tridec-12-ene-3,5-dione","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","CR1189","Brock, C. P.; Demir, A. S.; Watt, D. S.","An Almost Planar Hydrazine Moiety in a Diels‒Alder Adduct","Acta Crystallographica Section C","1995","51","11","2434","2437","10.1107/S010827019500624X","","","0.71073","MoKα","","0.1125","0.0415","","0.1181","0.095","","","","1.016","1.113","1.113","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004118","10.125","0.001","12.764","0.002","11.338","0.002","90","","90.39","0.01","90","","1465.2","0.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-9-oxabicyclo[5.3.0]dec-5-en-1,3-diol Deuterochloroform solvate","","- C12 H18 Cl3 D O3 -","- C12 H19 Cl3 O3 -","- C48 H76 Cl12 O12 -","4","1","CR1194","Kumanovic, S.; Lautens, M.; Lough, A. J.","A Highly Substituted <i>trans</i>-Fused Bicyclo[5.3.0]decene","Acta Crystallographica Section C","1995","51","11","2370","2372","10.1107/S0108270195006573","","","0.71073","MoKα","","0.0637","0.0431","","0.1183","0.1051","","","","1.019","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004119","11.483","0.002","11.615","0.001","12.412","0.002","90","","111.44","0.01","90","","1540.9","0.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","DE1006","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","1β-Hydroxy-1α-propargyl-2β-methyl-2-(2-ethoxycarbonylvinyl)cycloheptane","Acta Crystallographica Section C","1995","51","11","2327","2329","10.1107/S0108270195005208","","","1.542","CuKα","","","0.072","","","0.072","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004121","13.877","0.006","10.446","0.004","8.109","0.003","79.72","0.03","97.26","0.04","93.14","0.04","1146.7","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H38 O -","- C26 H38 O -","- C52 H76 O2 -","2","1","DU1111","Ginderow, D.","5-(2,6,6-Triméthyl-2-cyclohexen-1-yl)-3-[2-(2,6,6-triméthyl-2-cyclohexen-1-yl)éthenyl]-2-cyclohexen-1-one","Acta Crystallographica Section C","1995","51","11","2455","2458","10.1107/S0108270195006585","","","1.5418","CuKα","","0.0766","0.0726","","0.1999","0.1926","","","","1.063","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004122","45.92","0.05","10.418","0.003","7.923","0.008","90","","92.94","0.05","90","","3785","6","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Mo4 O13 -","- Cs2 Mo4 O13 -","- Cs24 Mo48 O156 -","12","1.5","DU1116","Marrot, J.; Savariault, J.-M.","Two Original Infinite Chains in the New Caesium Tetramolybdate Compound Cs~2~Mo~4~O~13~","Acta Crystallographica Section C","1995","51","11","2201","2205","10.1107/S0108270195004811","","","0.71073","MoKα","","","0.066","","","0.16","","","","","1.161","1.161","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004123","9.368","0.002","3.396","0.001","7.799","0.003","90","","119.42","0.01","90","","216.12","0.12","295","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","0.5","DU1121","Bensch, W.; Heid, W.","NbAs~2~","Acta Crystallographica Section C","1995","51","11","2205","2207","10.1107/S0108270195007062","","","0.7107","MoKα","","","0.0303","","","0.0363","","","","","0.9536","0.9536","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004124","10.6883","0.0006","18.27","0.002","10.9819","0.0007","90","","117.706","0.005","90","","1898.6","0.3","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H57 Cl O6 Zr -","- C33 H57 Cl O6 Zr -","- C66 H114 Cl2 O12 Zr2 -","2","0.5","DU1125","Jardin, M.; Gao, Y.; Guéry, J.; Jacoboni, C.","Chlorotris(2,2,6,6-tetramethyl-3,5-heptanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1995","51","11","2230","2232","10.1107/S0108270195006494","","","0.71073","MoKα","","","0.041","","","0.041","","","","","1.212","1.212","","","","","has coordinates","192024","2020-10-21","18:00:00",""
"2004125","6.853","0.001","7.878","0.001","18.299","0.003","79.11","0.01","82.37","0.01","68.96","0.01","903.2","0.2","298","","298","","","","","","","","","7","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Chloroacetyl chloride solvate","","- C11 H9 Cl F3 O0.5 P0.5 S8 -","- C12 H8 Cl F3 O P0.5 S8 -","- C24 H16 Cl2 F6 O2 P S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0599","0.0397","","0.0487","0.0455","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004126","8.019","0.002","9.889","0.002","12.726","0.002","80.21","0.02","85.31","0.02","81.69","0.02","982.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Tetrahydrofuran solvate","","- C12 H12 F6 O0.5 P S8 -","- C17 H22 F6 O P S8 -","- C34 H44 F12 O2 P2 S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0891","0.0453","","0.0638","0.0523","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004127","14.172","0.002","10.63","0.002","5.751","0.001","90","","103.78","0.01","90","","841.4","0.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Perchlorate","","- C10 H8 Cl O4 S8 -","- C15 H16 O8 S8 -","- C30 H32 O16 S16 -","2","0.25","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0655","0.0488","","0.0692","0.0644","","","","","2.26","2.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004128","8.634","0.001","8.863","0.002","11.745","0.001","90","","98.33","0.01","90","","889.3","0.2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.079","","","0.088","","","","","4.6","4.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004129","20.55","0.001","10.513","0.001","17.813","0.001","90","","108.11","0.01","90","","3657.7","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C168 H136 Cl8 O32 -","8","2","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.048","","","0.056","","","","","4","4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004130","8.324","0.002","24.833","0.005","8.178","0.001","95.76","0.02","90.62","0.02","90.87","0.02","1681.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(antazoline)-zinc(II)","","","- C34 H38 Cl2 N6 Zn -","- C34 H38 Cl2 N6 Zn -","- C68 H76 Cl4 N12 Zn2 -","2","1","FG1074","Parvez, M.; Rusiewicz, M.","Bis(antazoline)dichlorozinc(II)","Acta Crystallographica Section C","1995","51","11","2277","2279","10.1107/S0108270195006548","","","0.71069","MoKα","","","0.061","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004131","7.203","0.003","34.626","0.005","7.048","0.001","90","","90","","90","","1757.8","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone","","- C14 H27 N O3 Si -","- C14 H27 N O3 Si -","- C56 H108 N4 O12 Si4 -","4","1","FG1075","Hua, D. H.; Lagneau, N.; Park, J.-G.; Good, L. A.; Robinson, P. D.","(1<i>S</i>,8<i>S</i>,8a<i>S</i>)-(+)-1-(<i>tert</i>-Butyldimethylsilyloxy)-8-hydroxy-1,2,3,5,6,7,8,8a-octahydro-5-indolizinone","Acta Crystallographica Section C","1995","51","11","2301","2304","10.1107/S0108270195004963","","","0.71069","MoKα","","","0.054","","","0.059","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004132","5.615","0.002","10.0655","0.001","13.0482","0.001","90","","100.13","0.02","90","","726","0.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 S3 -","- C11 H18 N4 S3 -","- C22 H36 N8 S6 -","2","1","HU1123","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","2,3-Diethyl-5,6,7,8-tetrahydro-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1(2<i>H</i>),4(3<i>H</i>)-dithione","Acta Crystallographica Section C","1995","51","11","2354","2356","10.1107/S010827019500343X","","","0.71069","MoKα","","","","","","","","","","","0.946","0.946","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004133","10.711","0.004","6.115","0.003","21.514","0.004","90","","99.919","0.02","90","","1388.1","0.9","120","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","HU1135","Rajnikant; Watkin, D. J.; Tranter, G.","4-Benzylbiphenyl","Acta Crystallographica Section C","1995","51","11","2388","2390","10.1107/S0108270195006329","","","0.71069","MoKα","","","0.0429","","","0.051","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004134","13.363","0.003","12.802","0.002","10.828","0.002","90","","107.04","0.02","90","","1771.1","0.6","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Fe O6 -","- C16 H20 Fe O6 -","- C64 H80 Fe4 O24 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.048","","","0.124","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004135","11.679","0.003","9.741","0.002","11.74","0.003","90","","95.5","0.03","90","","1329.5","0.6","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.052","","","0.126","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004136","5.381","0.001","24.265","0.002","8.988","0.002","90","","90.61","0.01","90","","1173.5","0.4","130","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C40 H52 N20 O16 -","4","2","JZ1044","Schaible, H.-G.; Bats, J. W.; Engels, J. W.","5'-Azido-2',5'-dideoxythymidine","Acta Crystallographica Section C","1995","51","11","2410","2412","10.1107/S0108270195009310","","","1.54184","CuKα","","","0.027","","","0.081","","","","","2.39","2.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004137","12.551","0.002","5.0137","0.001","12.7","0.002","90","","104.62","0.02","90","","773.3","0.2","135","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C4 H5 K2 O6.5 -","- C4 H5 K2 O6.5 -","- C16 H20 K8 O26 -","4","1","JZ1050","Boese, R.; Bläser, D.; Latz, R.; Piennisch, M.","Dipotassium <small>L</small>-Tartrate Semihydrate","Acta Crystallographica Section C","1995","51","11","2227","2229","10.1107/S010827019500566X","","","0.71069","MoKα","","","0.0339","","","0.0341","","","","","1.0505","1.0505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004138","9.503","0.003","8.05","0.001","18.033","0.002","90","","98.68","0.02","90","","1363.7","0.5","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-Cyclopentadienyl)zirkonium(2-n-butyl)acetylid Dimer","","- C32 H38 Zr2 -","- C32 H38 Zr2 -","- C64 H76 Zr4 -","2","0.5","JZ1052","Heshmatpour, F.; Wocadlo, S.; Massa, W.; Dehnicke, K.","Bis(η^5^-Cyclopentadienyl)zirkonium(2-<i>n</i>-butyl)acetylid Dimer","Acta Crystallographica Section C","1995","51","11","2225","2227","10.1107/S0108270195006482","","","0.71073","MoKα","","0.0495","0.0352","","0.086","0.082","","","","0.907","1.018","1.018","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004139","4.5164","0.0005","6.1355","0.0009","18.515","0.003","90","","94.58","0.02","90","","511.42","0.13","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H6 Fe N O5 P -","- C H6 Fe N O5 P -","- C4 H24 Fe4 N4 O20 P4 -","4","1","JZ1053","Cavellec, M.; Riou, D.; Ferey, G.","A Two-Dimensional Iron Phosphate Templated by Ethylenediamine","Acta Crystallographica Section C","1995","51","11","2242","2244","10.1107/S0108270195006731","","","0.71073","MoKα","","0.0246","0.0246","","0.0641","0.0641","","","","1.072","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004140","10.625","0.001","12.598","0.002","13.551","0.001","101.85","0.01","112.3","0.01","90.66","0.01","1634.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'[1,1'-dimethylene-3,3'-biisoquinoline 2,2'-dioxide]4,13-diaza-18-crown-6 sodium bromide","","- C32 H40 Br N4 Na O7 -","- C32 H40 Br N4 Na O7 -","- C64 H80 Br2 N8 Na2 O14 -","2","1","KA1105","Suwinska, K.","Inclusion Complex of <i>N</i>,<i>N</i>'-(1,1'-Dimethylene-3,3'-biisoquinoline 2,2'-dioxide)-4,13-diaza-18-crown-6 with Sodium Bromide","Acta Crystallographica Section C","1995","51","11","2232","2235","10.1107/S0108270195004136","","","1.54178","CuKα","","0.0379","0.0361","","0.1068","0.105","","","","1.052","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004141","7.4393","0.0008","7.6507","0.0004","15.6806","0.0008","90","","90","","90","","892.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethylenediammonium Tartrate","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","KA1121","Güneş, B.; Soylu, H.; Akkurt, O.; Özbey, S.","Aminoethylammonium Tartrate","Acta Crystallographica Section C","1995","51","11","2346","2348","10.1107/S0108270195006202","","","0.71069","MoKα","","0.0652","0.0618","","0.1706","0.1638","","","","1.131","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004142","9.211","0.004","14.671","0.004","11.533","0.004","90","","111.14","0.04","90","","1453.6","1","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","KA1123","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","3,3-(Oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2329","2331","10.1107/S0108270195007645","","","1.54184","CuKα","","","0.065","","","0.065","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004143","8.526","0.006","10.815","0.005","17.547","0.009","90","","90.4","0.06","90","","1617.9","1.6","295","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","KA1125","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","Alkynyl Contacts in 1β-Hydroxy-1α-propargyl-2α-(2-ethoxycarbonylvinyl)-2,4,4-trimethylcyclopentane","Acta Crystallographica Section C","1995","51","11","2325","2327","10.1107/S0108270195007499","","","1.54184","CuKα","","","0.057","","","0.057","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004144","10.832","0.002","8.524","0.002","15.634","0.003","90","","108.31","0.03","90","","1370.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C14 H16 O5 S -","- C14 H16 O5 S -","- C56 H64 O20 S4 -","4","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","0.71073","MoKα","","0.0942","0.0496","","0.1255","0.1037","","","","1.017","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004145","8.613","0.002","10.453","0.002","10.561","0.002","63.55","0.03","68.81","0.03","84.74","0.03","791","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,7-dimethyl-4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","1.54178","CuKα","","0.046","0.0427","","0.1232","0.1199","","","","1.05","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004146","14.928","0.003","14.999","0.002","18.952","0.002","90","","90","","90","","4243.4","1.1","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N4 O2 S -","- C22 H26 N4 O2 S -","- C176 H208 N32 O16 S8 -","8","1","KA1128","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1-(Morpholinothiocarbonyl)-3,3-(oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2323","2325","10.1107/S0108270195007165","","","1.54184","CuKα","","","0.068","","","0.073","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004147","7.764","0.0008","13.784","0.002","15.692","0.0015","90","","103.77","0.008","90","","1631.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2'-Methoxy-5'-methoxycarbonylspiro[dihydroacridine-9(10H),4'-thiazoline]","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","KA1131","Černák, J.; Kristian, P.; Bernát, J.; Lipkowski, J.","2'-Methoxy-5'-methoxycarbonylspiro[acridine-9(10<i>H</i>),4'(5'<i>H</i>)-thiazole]","Acta Crystallographica Section C","1995","51","11","2397","2399","10.1107/S0108270195006925","","","1.54178","CuKα","","0.0663","0.0538","","0.1628","0.1445","","","","1.07","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004148","7.625","0.003","11.262","0.002","13.883","0.002","90","","90","","90","","1192.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(p-tolyl)phthalimide","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","KA1133","Bocelli, G.; Cantoni, A.; Cozzini, P.","<i>N</i>-(<i>p</i>-Tolyl)phthalimide","Acta Crystallographica Section C","1995","51","11","2372","2374","10.1107/S0108270195007177","","","1.54178","CuKα","","0.0334","0.0304","","0.0806","0.0781","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004149","7.286","0.002","7.408","0.002","30.52","0.01","90","","90","","90","","1647.3","0.8","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","KH1005","Huang, X.-Y.; Ye, Q.; Meng, Q.-J.; You, X.-Z.","4,4'-Oxydianilinium Tetrachlorocadmate(II), an Intercalation Compound","Acta Crystallographica Section C","1995","51","11","2285","2287","10.1107/S0108270195005762","","","0.71069","MoKα","","","0.041","","","0.054","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004150","14.664","0.002","13.913","0.001","17.592","0.008","90","","102.65","0.02","90","","3502","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Eu N4 O8 -","- C30 H23 Cl6 Eu N4 O8 -","- C120 H92 Cl24 Eu4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.043","","","0.052","","","","","3.556","3.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004151","14.564","0.002","13.879","0.002","17.505","0.008","90","","102.36","0.02","90","","3456.3","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Er N4 O8 -","- C30 H23 Cl6 Er N4 O8 -","- C120 H92 Cl24 Er4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.054","","","0.059","","","","","4.785","4.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004152","9.632","0.001","13.094","0.001","13.226","0.001","90","","101.65","0.01","90","","1633.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(p-Chlorophenyl)-4β(2'-thienyl)-5α-carbomethoxy methyl pyrrolydin-2-one.","","- C17 H16 Cl N O3 S -","- C17 H16 Cl N O3 S -","- C68 H64 Cl4 N4 O12 S4 -","4","1","KH1028","Sivakumar, K.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","1-(<i>p</i>-Chlorophenyl)-5α-methoxycarbonylmethyl-4β-(2-thienyl)pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","11","2444","2446","10.1107/S0108270195006111","","","0.71073","MoKα","","0.0559","0.0424","","0.1266","0.1215","","","","1.082","1.206","1.206","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004153","12.119","0.001","12.984","0.001","10.335","0.001","90","","90.67","0.01","90","","1626.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-chloronaphtho[6,7-c]acridine","","- C21 H18 Cl N -","- C21 H16.304 Cl N -","- C84 H65.216 Cl4 N4 -","4","1","KH1029","Ray, J. K.; Haldar, M.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","1,2,3,4,6,7-Hexahydro-10-chloronaphtho-[3,2-<i>c</i>]acridine","Acta Crystallographica Section C","1995","51","11","2441","2443","10.1107/S0108270195006123","","","0.71073","MoKα","","0.0676","0.0454","","0.1383","0.1278","","","","0.967","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004154","8.535","0.002","8.535","0.002","17.339","0.006","90","","90","","90","","1263.1","0.6","138","","","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.036","","","0.043","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004155","6.229","0.002","11.951","0.003","18.865","0.006","90","","90","","90","","1404.4","0.7","143","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.041","","","0.043","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004156","18.541","0.001","8.291","0.002","15.366","0.001","90","","97.26","0.01","90","","2343.2","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4H-benzo[b]quinolizin-4-one","","- C14 H17 N O -","- C14 H17 N O -","- C112 H136 N8 O8 -","8","1","KH1038","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","<i>cis</i>-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4<i>H</i>-benzo[<i>b</i>]quinolizin-4-one","Acta Crystallographica Section C","1995","51","11","2307","2309","10.1107/S0108270195005750","","","1.5418","CopperKα","","0.067","0.047","","0.072","0.063","","","","1.449","1.555","1.555","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004157","38.48","0.01","9.046","0.002","12.344","0.001","90","","106.08","0.03","90","","4128.7","1.6","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-hydroxyphenyl)salicylaldimin","","- C13 H11 N O2 -","- C13 H9 N O3 -","- C208 H144 N16 O48 -","16","2","LI1119","Elerman, Y.; Elmali, A.; Atakol, O.; Svoboda, I.","<i>N</i>-(2-Hydroxyphenyl)salicylaldimine","Acta Crystallographica Section C","1995","51","11","2344","2346","10.1107/S010827019500388X","","","0.71069","MoKα","","","0.09","","","0.09","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004158","4.845","0.001","5.517","0.001","23.033","0.003","90","","93.62","0.01","90","","614.44","0.19","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N O5 P -","- C10 H14 N O5 P -","- C20 H28 N2 O10 P2 -","2","1","MD1002","Chadha, R. K.; Ösapay, G.","(<i>S</i>)-[1-(Benzyloxycarbonylamino)ethyl]phosphonic Acid","Acta Crystallographica Section C","1995","51","11","2340","2342","10.1107/S0108270195004355","","","1.54178","CuKα","","","0.045","","","0.061","","","","","1.68","1.68","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004159","9.381","0.003","17.599","0.006","18.111","0.003","90","","95.09","0.03","90","","2978.3","1.5","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C28 H22 F6 N2 Ni O4 S2 -","- C112 H88 F24 N8 Ni4 O16 S8 -","4","0.5","MU1173","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Redetermination of <i>cis</i>-Bis(4-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section C","1995","51","11","2260","2261","10.1107/S0108270195005877","","","0.71069","MoKα","","","0.064","","","0.074","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004160","8.459","0.002","9.132","0.003","9.903","0.002","95.22","0.02","84.14","0.02","104.72","0.02","734.3","0.3","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1176","Song, B.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-<i>S</i>,<i>S</i>')bis(4-methylpyridine)nickel(II)","Acta Crystallographica Section C","1995","51","11","2258","2259","10.1107/S0108270195005130","","","0.71073","MoKα","","","0.052","","","0.065","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004161","17.755","0.002","5.29","0.005","17.383","0.003","90","","121.48","0.01","90","","1392.4","1.4","298","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cd N4 O10 S2 -","- C24 H30 Cd N4 O10 S2 -","- C48 H60 Cd2 N8 O20 S4 -","2","0.5","MU1179","Lusvardi, G.; Menabue, L.; Saladini, M.","Cadmium(II) <i>N</i>-(<i>p</i>-Tolylsulfonyl)glutaminate","Acta Crystallographica Section C","1995","51","11","2287","2289","10.1107/S0108270195005385","","","0.71069","MoKα","","","0.041","","","0.038","","","","","0.56","0.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004162","24.4935","0.0004","24.4935","0.0004","19.1219","0.0006","90","","90","","120","","9934.9","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","chlorotriphenyltin","chlorotriphenyltin","","- C18 H15 Cl Sn -","- C18 H15 Cl Sn -","- C432 H360 Cl24 Sn24 -","24","1.33333","MU1190","Ng, S. W.","Rhombohedral Chlorotriphenyltin","Acta Crystallographica Section C","1995","51","11","2292","2293","10.1107/S0108270195006998","","","0.71073","MoKα","","0.0546","0.0344","","0.0871","0.0766","","","","1.088","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004163","5.561","0.002","8.159","0.003","11.353","0.004","90","","100.73","0.04","90","","506.1","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","0.5","NA1166","Ide, S.; Karacan, N.; Tufan, Y.","1,2-Bis(4-pyridyl)ethane","Acta Crystallographica Section C","1995","51","11","2304","2305","10.1107/S0108270195005221","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004164","38.4","0.01","38.4","0.01","12.092","0.009","90","","90","","120","","15442","13","80","2","80","2","","","","","","","","7","R 3 :H","R 3","146","","fac-tris(thiocyanato)-tris(triphenylphosphine oxide)iron(III)","","- C57 H45 Fe N3 O3 P3 S3 -","- C57 H45 Fe N3 O3 P3 S3 -","- C684 H540 Fe12 N36 O36 P36 S36 -","12","1.33333","NA1168","Olejnik, Z.; Lis, T.; Ondrejkovicová, I.","<i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K","Acta Crystallographica Section C","1995","51","11","2246","2249","10.1107/S0108270195006354","","","0.71069","MoKα","","","0.0289","","","0.0759","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004165","14.806","0.002","10.677","0.002","19.669","0.005","90","","108.55","0.02","90","","2947.8","1.1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F12 Fe N7 P2 -","- C24 H27 F12 Fe N7 P2 -","- C96 H108 F48 Fe4 N28 P8 -","4","1","NA1171","Boubekeur, K.; Deroche, A.; Lambert, F.; Morgenstern-Badarau, I.","{Tris[4-(2-pyridyl)-3-aza-3-butenyl]amine}iron(II) Bis(hexafluorophosphate), [Fe(py~3~tren)](PF~6~)~2~","Acta Crystallographica Section C","1995","51","11","2244","2246","10.1107/S010827019500597X","","","0.71073","MoKα","","","0.051","","","0.061","","","","","1.854","1.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004166","6.967","0.001","10.346","0.002","12.877","0.003","90","","94.12","0.03","90","","925.8","0.3","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl4 N6 O2 Sn -","- C10 H18 Cl4 N6 O2 Sn -","- C20 H36 Cl8 N12 O4 Sn2 -","2","0.5","NA1172","Casellato, U.; Graziani, R.; Martelli, M.; Plazzogna, G.","Bis(cytosinium) Tetrachlorodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","11","2293","2295","10.1107/S0108270195005312","","","0.7107","MoKα","","","0.028","","","0.028","","","","","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004167","7.75","0.004","13.131","0.006","10.912","0.003","90","","91.22","0.03","90","","1110.2","0.8","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","NA1173","Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.","2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one","Acta Crystallographica Section C","1995","51","11","2366","2369","10.1107/S0108270195006317","","","0.71073","MoKα","","","0.029","","","0.031","","","","","1.19","1.19","","","","","has coordinates,has disorder","192026","2020-10-21","18:00:00",""
"2004168","12.811","0.002","7.771","0.001","18.098","0.002","90","","109.6","0.1","90","","1697.3","1.1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Cu N6 O2 -","- C10 H16 Cl4 Cu N6 O2 -","- C40 H64 Cl16 Cu4 N24 O8 -","4","0.5","NA1174","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(1-methylcytosinium) Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","11","2273","2275","10.1107/S0108270195006937","","","0.7107","MoKα","","","0.05","","","0.055","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004169","13.529","0.008","14.323","0.008","8.447","0.004","90","","91.93","0.02","90","","1635.9","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","4,6-Dimethoxy-3-methyl-dihydrotriazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1125","0.067","","0.1853","0.16","","","","1.064","1.232","1.232","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004170","8.362","0.004","14.356","0.008","7.168","0.004","90","","114.41","0.02","90","","783.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","III","6-Methoxy-3,5-dimethyl-tetrahydrotriazine-2,4,-dione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1071","0.078","","0.1986","0.167","","","","1.13","1.241","1.241","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004171","6.908","0.006","9.662","0.001","14.012","0.002","84.53","0.01","74.5","0.03","86.98","0.03","896.8","0.8","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N8 O7 -","- C14 H18 N8 O7 -","- C28 H36 N16 O14 -","2","1","NS1005","Gallardo, H.; Meyer, E.; Vencato, I.","5-(2,4-Dihydroxyphenyl)tetrazole Sesquihydrate","Acta Crystallographica Section C","1995","51","11","2430","2432","10.1107/S0108270195007505","","","0.7107","Mo","","","0.0468","","","0.06","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004172","10.427","0.001","7.197","0.001","11.805","0.001","90","","99.755","0.008","90","","873.08","0.17","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H21 N7 -","- C16 H21 N7 -","- C32 H42 N14 -","2","1","OH1073","Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.","Chiral <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener","Acta Crystallographica Section C","1995","51","11","2331","2333","10.1107/S010827019500031X","","","1.5418","CuKα","","","0.045","","","0.071","","","","","1.45","1.45","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004173","11.4603","0.0002","11.4603","0.0002","11.4603","0.0002","90","","90","","90","","1505.18","0.05","298","","","","","","","","","","","4","I a -3 d","","","","","","- Al2 Co3 O12 Si3 -","- Al2 Co3 O12 Si3 -","- Al16 Co24 O96 Si24 -","8","0.0833333","OH1074","Ohashi, H.; Osawa, T.; Sato, A.","Low-Pressure Polymorph of Co~3~Al~2~Si~3~O~12~","Acta Crystallographica Section C","1995","51","11","2213","2215","10.1107/S0108270195004719","","","0.71073","MoKα","","","0.021","","","0.03","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004174","10.494","0.001","10.494","0.001","8.939","0.002","90","","90","","90","","984.4","0.3","296","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B6 Cs Li O10 -","- B6 Cs Li O10 -","- B24 Cs4 Li4 O40 -","4","0.25","OH1076","Sasaki, T.; Mori, Y.; Kuroda, I.; Nakajima, S.; Yamaguchi, K.; Watanabe, S.; Nakai, S.","Caesium Lithium Borate: a New Nonlinear Optical Crystal","Acta Crystallographica Section C","1995","51","11","2222","2224","10.1107/S0108270195005798","","","0.71073","MoKα","","","0.023","","","0.035","","","","","2.37","2.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004175","5.23","0.003","6.822","0.001","5.175","0.002","91.54","0.02","117.51","0.03","90.46","0.03","163.66","0.12","293","","","","","","","","","","","5","P -1","-P 1","2","","magnesium sodium monophosphate","","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","1","0.5","OH1084","Kawahara, A.; Yamakawa, J.; Yamada, T.; Kobashi, D.","Synthetic Magnesium Sodium Hydrogen Monophosphate: MgNa~3~H(PO~4~)~2~","Acta Crystallographica Section C","1995","51","11","2220","2222","10.1107/S0108270195006901","","","0.71069","MoKα","","","0.026","","","0.033","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004176","7.181","0.002","8.485","0.003","11.446","0.003","90","","103.11","0.02","90","","679.2","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Br N2 O -","- C13 H17 Br N2 O -","- C26 H34 Br2 N4 O2 -","2","1","PA1181","Belin, C.; Chauvet, A.; Leloup, J. M.; Ribet, J. P.; Maurel, J. L.","2-[2-(2-Ethyl-2,3-dihydrobenzofuranyl)]-2-imidazoline Hydrobromide","Acta Crystallographica Section C","1995","51","11","2439","2441","10.1107/S0108270195006706","","","0.7107","MoKα","","","0.0391","","","0.0494","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004177","9.61","0.003","11.468","0.003","9.043","0.002","109.26","0.03","98.36","0.02","73.59","0.03","901","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O8 -","- C17 H22 O8 -","- C34 H44 O16 -","2","1","PA1182","Bocelli, G.; Cantoni, A.; Costa, M.","Dimethyl 4,4-Bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate","Acta Crystallographica Section C","1995","51","11","2374","2376","10.1107/S010827019500669X","","","0.71069","MoKα","","0.1558","0.0436","","0.1071","0.0947","","","","0.7","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004178","21.184","0.005","21.184","0.005","15.412","0.004","90","","90","","90","","6916","3","291","2","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C256 H192 Cl16 N16 O48 -","16","1","PA1184","Palmer, R. A.; Richards, A. J.; Lisgarten, J. N.","2-Benzamido-3-(<i>p</i>-chlorophenyl)propenoic Acid (Antrex)","Acta Crystallographica Section C","1995","51","11","2338","2340","10.1107/S010827019500672X","","","1.54178","CuKα","","0.1133","0.0695","","0.3261","0.1838","","","","1.07","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004179","7.9184","0.001","8.9446","0.0014","10.861","0.002","109.41","0.009","107.918","0.006","90.336","0.006","685.31","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,4,7-Trimethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","","- C9 H14 I N3 O2 S -","- C9 H14 I N3 O2 S -","- C18 H28 I2 N6 O4 S2 -","2","1","PA1187","Dupont, L.; Pirotte, B.; de Tullio, P.; Diouf, O.; Masereel, B.; Delarge, J.","2,4,7-Trimethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","Acta Crystallographica Section C","1995","51","11","2412","2414","10.1107/S0108270195008006","","","1.5418","CuKα","","0.0743","0.0692","","0.2008","0.1896","","","","1.072","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004180","12.641","0.002","5.5304","0.001","13.615","0.003","90","","105.847","0.015","90","","915.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3,7-Dimethyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide inner salt","","- C8 H9 N3 O2 S -","- C8 H9 N3 O2 S -","- C32 H36 N12 O8 S4 -","4","1","PA1192","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3,7-Dimethyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2414","2416","10.1107/S010827019500802X","","","1.5418","CuKα","","0.0636","0.0454","","0.1281","0.1208","","","","0.948","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004181","7.3767","0.0007","8.1696","0.0007","8.5483","0.0007","82.557","0.009","83.195","0.007","84.162","0.005","505.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-Methyl-3-methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Inner Salt","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C16 H18 N6 O4 S4 -","2","1","PA1194","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","7-Methyl-3-methylthio-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazin-7-ium-4-ide 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2416","2417","10.1107/S0108270195008031","","","1.5418","CuKα","","0.0447","0.042","","0.1297","0.1145","","","","1.051","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004182","11.742","0.003","9.1","0.002","15.705","0.003","90","","90","","90","","1678.1","0.7","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H12 O3 -","- C8 H11 O3 -","- C64 H88 O24 -","8","1","PT1006","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","(±)-2-Oxocyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1995","51","11","2305","2307","10.1107/S0108270195006640","","","0.71073","MoKα","","","0.0446","","","0.0529","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004183","4.463","0.003","11.546","0.005","15.697","0.005","90","","95.75","0.05","90","","804.8","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-acetoxymethylpyrrole-2-carbaldehyde","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PT1024","Blake, A. J.; McNab, H.; Parsons, S.; Thornley, C.","3-Acetoxymethylpyrrole-2-carbaldehyde","Acta Crystallographica Section C","1995","51","11","2348","2350","10.1107/S0108270195006238","","","0.71073","MoKα","","0.0873","0.0538","","0.1703","0.1244","","","","1.045","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004184","7.5018","0.001","17.358","0.004","5.6204","0.0004","90","","90","","90","","731.9","0.2","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- S1.68 Se0.32 Ta3 -","- S1.673 Se0.327 Ta3 -","- S13.384 Se2.616 Ta24 -","8","","SE1065","Degen, T.; Harbrecht, B.","Ta~3~S~2{-~<i>x</i>}Se~<i>x~</i>, Partial Substitution of Selenium for Sulfur into a Tantalum-Rich Sulfide","Acta Crystallographica Section C","1995","51","11","2218","2220","10.1107/S0108270194009923","","","0.7093","MoKα","","0.0439","0.0222","","0.0425","0.0397","","","","0.916","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004185","13.719","0.002","7.726","0.001","3.875","0.001","90","","95.5","0.02","90","","408.83","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","sym-Tricyanobenzene","1,3,5-Tricyanobenzene","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","SE1078","Reddy, D. S.; Panneerselvam, K.; Desiraju, G. R.; Carrell, H. L.; Carrell, C. J.","1,3,5-Tricyanobenzene","Acta Crystallographica Section C","1995","51","11","2352","2354","10.1107/S0108270195004483","","","0.7107","MoKα","","0.052","0.0428","","0.1328","0.1149","","","","0.628","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004186","8.575","0.002","20.711","0.004","16.583","0.003","90","","99.91","0.02","90","","2901.1","1","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 Ni O P2 -","- C26 H44 N2 Ni O P2 -","- C104 H176 N8 Ni4 O4 P8 -","4","1","SZ1022","Penney, J.; VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-Ni(Mes)[N(Ph)C(O)N(H)CMe~3~](PMe~3~)~2~","Acta Crystallographica Section C","1995","51","11","2269","2271","10.1107/S0108270195004513","","","0.71073","MoKα","","","0.0571","","","0.0627","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004187","6.336","0.004","7.986","0.005","17.602","0.009","90","","92.88","0.06","90","","889.5","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-dinitro-2,2'-biimidazole","","- C12 H18 N8 O6 -","- C12 H18 N8 O6 -","- C24 H36 N16 O12 -","2","0.5","SZ1034","Bryan, C. D.; Scott, S.; Cordes, A. W.; Folkert, S. L.; Hester, C.; Collier, H.","4,4'-Dinitro-2,2'-biimidazole Dimethylformamide Solvate","Acta Crystallographica Section C","1995","51","11","2300","2301","10.1107/S0108270195004525","","","0.7107","MoKα","","0.14","0.051","","0.087","0.067","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004188","17.833","0.003","17.833","0.003","8.543","0.001","90","","90","","120","","2352.8","0.6","296","","","","","","","","","","","4","P 31","P 31","","","","","- C12 H10 N2 O -","- C12 H8 N2 O -","- C108 H72 N18 O9 -","9","3","TA1000","Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z.","Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2309","2312","10.1107/S010827019500549X","","","0.71073","MoKα","","","0.07","","","0.061","","","","","1.77","1.77","","","","","has coordinates","281832","2023-03-13","07:40:49",""
"2004189","13.887","0.002","8.121","0.001","16.201","0.003","90","","98.15","0.01","90","","1808.6","0.5","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","VJ1009","Das, B. C.; Pain (Biswas), S.; Biswas, G.; Ganguly, S. N.; Banerjee, A.; Duax, W. L.; Maji, B. B.; Ghatak, K. L.","Tropinyl 2-Isopropylbenzo[<i>b</i>]thiophene-3-carboxylate, C~20~H~25~NO~2~S","Acta Crystallographica Section C","1995","51","11","2386","2388","10.1107/S0108270195004872","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004190","11.346","0.002","12.305","0.001","14.327","0.001","90","","90","","90","","2000.2","0.4","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N5 O4 -","- C19 H22 Cl N5 O4 -","- C76 H88 Cl4 N20 O16 -","4","1","VJ1015","Das, A. K.; Bertolasi, V.","<i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor","Acta Crystallographica Section C","1995","51","11","2408","2409","10.1107/S0108270195004793","","","0.71069","MoKα","","","0.0366","","","0.0452","","","","","0.57","0.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004191","9.397","0.006","9.627","0.008","13.805","0.008","96.2","0.06","102.31","0.05","115.17","0.06","1076.1","1.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N8 S4 -","- C17 H20 N8 S4 -","- C34 H40 N16 S8 -","2","1","VJ1023","Biswas, G.; Chandra, T.; Avasthi, K.; Maulik, P. R.","1,3-Bis[4,6-bis(methylthio)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl]propane","Acta Crystallographica Section C","1995","51","11","2453","2455","10.1107/S0108270195006524","","","0.71073","MoKα","","","0.037","","","0.079","","","","","0.782","0.782","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004192","12.416","0.001","6.391","0.001","15.552","0.002","90","","90","","90","","1234.1","0.3","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Hg I2 N4 -","- C6 Hg I2 N4 -","- C24 Hg4 I8 N16 -","4","0.5","NA1153","Svensson, P. H.; Bengtsson-Kloo, L. A.; Stegemann, H.","(Hexamethylenetetramine)diiodomercury(II), HgI~2~.hmt","Acta Crystallographica Section C","1995","51","11","2289","2292","10.1107/S0108270195005567","","","0.7109","MoKα","","","0.0335","","","0.0344","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004193","7.346","0.001","5.87","0.002","15.959","0.003","90","","99.64","0.01","90","","678.5","0.3","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 F O3 S -","- C13 H17 F O3 S -","- C26 H34 F2 O6 S2 -","2","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1.1","1.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004194","6.022","0.001","7.319","0.001","32.279","0.005","90","","90","","90","","1422.7","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 F O3 S -","- C14 H19 F O3 S -","- C56 H76 F4 O12 S4 -","4","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.044","","","0.046","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004195","6.576","0.002","7.517","0.002","8.227","0.003","89.88","0.05","70.69","0.05","74","0.05","367.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C10 H18 N2 S4 -","2","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.047","","","0.045","","","","","0.539","0.539","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004196","6.312","0.002","10.036","0.003","11.887","0.004","90","","105.39","0.05","90","","726","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C20 H36 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.063","","","0.072","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004197","9.465","0.003","7.036","0.002","12.236","0.004","90","","93.15","0.05","90","","813.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.062","","","0.074","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004198","8.583","0.003","8.71","0.003","17.03","0.006","90","","90","","90","","1273.1","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N S2 -","- C4 H7 N S2 -","- C32 H56 N8 S16 -","8","2","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.045","","","0.04","","","","","1.209","1.209","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004199","9.351","0.003","9.098","0.003","10.838","0.003","90","","81.54","0.05","90","","912","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0352","","","0.0345","","","","","0.701","0.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004200","13.494","0.004","8.205","0.003","7.491","0.002","90","","90","","90","","829.4","0.4","293","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0398","","","0.0383","","","","","0.556","0.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004201","9.432","0.001","12.08","0.002","12.542","0.002","97.98","0.01","96.42","0.01","107.87","0.01","1328.7","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N6 O4 -","- C29 H32 N6 O5 -","- C58 H64 N12 O10 -","2","1","AB1278","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","7-[3-(Dibenzylamino)-2-hydroxypropyl]-8-(furfurylamino)theophylline","Acta Crystallographica Section C","1995","51","12","2608","2610","10.1107/S0108270195008547","","","1.54184","CuKα","","","0.0563","","","0.0723","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004202","12.0126","0.0008","13.075","0.002","7.4562","0.0008","90","","90","","90","","1171.1","0.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","AS1193","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Hydroxy-3-phenylcoumarin, C~15~H~10~O~3~","Acta Crystallographica Section C","1995","51","12","2712","2714","10.1107/S0108270195008821","","","1.54184","CuKα","","","0.038","","","0.043","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004203","12.421","0.008","12.67","0.007","18.45","0.009","90","","95.48","0.05","90","","2890","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 N2 O -","- C30 H48 N2 O -","- C120 H192 N8 O4 -","4","1","AS1196","Satake, K.; Hattori, T.; Kimura, M.; Kashino, S.","<i>N</i>-Acetyl-3,6-di-<i>tert</i>-butyl-2-(3,6-di-<i>tert</i>-butyl-3<i>H</i>-azepin-2-yl)-2,3-dihydro-1<i>H</i>-azepine","Acta Crystallographica Section C","1995","51","12","2707","2710","10.1107/S0108270195008833","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004204","18.248","0.001","4.442","0.003","15.913","0.002","90","","98.366","0.006","90","","1276.1","0.9","296","","","","","","","","","","","5","C 1 2 1","","","","","","- C4 H4 I N3 O -","- C4 H4 I N3 O -","- C32 H32 I8 N24 O8 -","8","2","AS1199","Okabe, N.; Tamaki, K.; Suga, T.","5-Iodocytosine","Acta Crystallographica Section C","1995","51","12","2696","2698","10.1107/S0108270195008845","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004205","13.464","0.001","6.225","0.001","13.476","0.001","90","","118.52","","90","","992.41","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.057","","","0.034","","","","","1.653","1.653","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004206","13.397","0.001","6.171","0.001","13.331","0.001","90","","118.44","0.01","90","","969.1","0.2","107","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.033","","","0.032","","","","","1.828","1.828","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004207","4.663","0.001","13.275","0.002","20.551","0.003","90","","90","","90","","1272.1","0.4","296","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","0.5","BK1105","Lalancette, R. A.; Thompson, H. W.; Coté, M. L.","<i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid","Acta Crystallographica Section C","1995","51","12","2617","2619","10.1107/S0108270195008493","","","0.71073","MoKα","","","0.049","","","0.053","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004208","5.7473","0.0006","6.8421","0.0008","32.155","0.004","90","","90.634","0.008","90","","1264.4","0.3","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16.5 O3.25 -","- C14 H16.534 O3.267 -","- C56 H66.136 O13.068 -","4","1","BK1110","Coté, M. L.; Lalancette, R. A.; Long, D. J.; Thompson, H. W.","(±)-3-Oxo-<i>trans</i>-2-phenylcyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Partially Hydrated δ-Keto Acid","Acta Crystallographica Section C","1995","51","12","2615","2617","10.1107/S0108270195008213","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.32","1.32","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2004209","11.3031","0.0008","10.9569","0.0012","16.7039","0.0014","90","","105.644","0.006","90","","1992.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tribenzyltin acetate","Tribenzyltin acetate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C92 H96 O8 Sn4 -","4","1","BK1129","Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C.","Tribenzyltin Acetate, a Redetermination","Acta Crystallographica Section C","1995","51","12","2546","2548","10.1107/S010827019500816X","","","0.7107","MolybdenumKα","","0.0382","0.0261","","0.0724","0.0693","","","","1.068","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004210","8.571","0.001","8.842","0.001","16.607","0.001","90","","90","","90","","1258.6","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Cl N O4 -","- C9 H18 Cl N O4 -","- C36 H72 Cl4 N4 O16 -","4","1","BK1131","Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T.","Acetyl-<small>L</small>-carnitine Hydrochloride","Acta Crystallographica Section C","1995","51","12","2570","2572","10.1107/S0108270195008420","","","1.54184","CuKα","","","0.0543","","","0.0639","","","","","3.231","3.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004211","13.934","0.002","14.316","0.002","7.101","0.002","97.86","0.01","103.79","0.02","79.6","0.01","1346.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","7,19,28-trithiatetracyclo[11,11,7,1^3,23^,1^11,15^]tritriaconta- 1,3(32),11,12,14,23- hexaene-4,9,16,22,25,30-hexayne","","- C31 H20 Cl2 S3 -","- C30.55 H19.1 Cl1.1 S3 -","- C61.1 H38.2 Cl2.2 S6 -","2","1","BK1142","Mague, J. T.; Ensley, H. E.; Mahadevan, S.","A Precursor to Highly Unsaturated Cyclophanes: 7,19,28-Trithiatetracyclo[11.11.7.1^3,23^.1^11,15^]tritriaconta-1,3(32),11(33),12,14,23-hexaene-4,9,16,22,25,30-hexayne","Acta Crystallographica Section C","1995","51","12","2595","2598","10.1107/S0108270195009073","","","0.71073","MoKα","","0.074","0.054","","","0.085","","","","","3.085","3.085","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004212","12.131","0.001","6.167","0.0005","16.507","0.002","90","","108.69","0.01","90","","1169.8","0.2","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-diphenyl-1-propyn-3-ol","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","BK1146","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","1,1-Diphenyl-3-propyn-1-ol","Acta Crystallographica Section C","1995","51","12","2674","2676","10.1107/S0108270195008171","","","1.54184","CuKα","","","0.045","","","0.054","","","","","2.566","2.566","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004213","9.511","0.001","11.716","0.001","12.138","0.002","67.68","0.02","73.19","0.02","73.45","0.02","1174.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N7 O4 -","- C23 H33 N7 O4 -","- C46 H66 N14 O8 -","2","1","BM1000","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Benzylamino-7-{2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}theophylline","Acta Crystallographica Section C","1995","51","12","2610","2612","10.1107/S0108270195007207","","","1.54184","CuKα","","","0.0552","","","0.061","","","","","1.98","1.98","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004214","8.854","0.004","9.832","0.004","27.11","0.008","90","","90","","90","","2360","1.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","BM1013","Judas, N.; Kaitner, B.; Mestrovic, E.","1,3-Diphenylpropan-1-one","Acta Crystallographica Section C","1995","51","12","2656","2658","10.1107/S0108270195008730","","","0.71073","MoKα","","","0.037","","","0.061","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004215","9.504","0.002","15.059","0.003","5.295","0.002","90","","90","","90","","757.8","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-methylphthalic anhydride","","","- C9 H6 O3 -","- C9 H6 O3 -","- C36 H24 O12 -","4","1","BM1019","Bocelli, G.; Cantoni, A.","3-Methylphthalic Anhydride","Acta Crystallographica Section C","1995","51","12","2652","2654","10.1107/S0108270195008869","","","1.54178","CuKα","","0.085","0.0323","","0.0746","0.0433","","","","0.647","0.929","0.929","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004216","6.688","0.001","6.688","0.001","18.479","0.007","90","","90","","120","","715.8","0.3","293","2","293","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","Europium(III) Tris-[dicyanoArgentate(I)]","","","- C12 H12 Ag6 Eu2 N12 O6 -","- C6 H6 Ag3 Eu N6 O3 -","- C12 H12 Ag6 Eu2 N12 O6 -","2","0.0833333","BR1098","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G.","Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O","Acta Crystallographica Section C","1995","51","12","2527","2529","10.1107/S0108270195008596","","","0.71073","MoKα","","0.0373","0.0351","","0.0924","0.0899","","","","1.13","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004217","14.3","0.002","6.43","0.001","8.754","0.002","90","","98.36","0.02","90","","796.4","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl O8 Pr3 Si2 -","- Cl0.5 O8 Pr2.5 Si2 -","- Cl2 O32 Pr10 Si8 -","4","0.5","BR1101","Guo, G.-C.; Wang, Y.-G.; Zhuang, J.-N.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Tripraseodymium Chloride Bis(orthosilicate), Pr~3~(SiO~4~)~2~Cl","Acta Crystallographica Section C","1995","51","12","2471","2473","10.1107/S0108270195008390","","","0.71069","MoKα","","","0.0323","","","0.04","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004218","7.121","0.004","7.121","0.004","11.4","0.007","90","","90","","120","","500.6","0.5","298","","298","","","","","","","","","4","P 63","P 6c","173","Potassium vanadium selenite","Potassium vanadium selenite","","- K O12 Se2 V3 -","- K O12 Se2 V3 -","- K2 O24 Se4 V6 -","2","0.333333","BR1110","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","1995","51","12","2473","2476","10.1107/S0108270195008407","","","0.71073","MolybdenumKα","","0.035","0.035","","0.027","0.027","","","","1.07","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004219","12.523","0.003","8.583","0.002","15.93","0.003","90","","90.52","0.03","90","","1712.2","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diflufenican","Diflufenican,2',4'-difluoro-2-(α,α,α,trifluoro-m-tolyloxy) nicotinanilide.","","- C19 H11 F5 N2 O2 -","- C19 H11 F5 N2 O2 -","- C76 H44 F20 N8 O8 -","4","1","CF1003","Pèpe, G.; Pfefer, G.; Boistelle, R.; Marchal, P.","Diflufenican, <i>N</i>-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide","Acta Crystallographica Section C","1995","51","12","2671","2672","10.1107/S010827019500789X","","","1.5418","CuKα","","0.057","0.057","","0.057","0.057","","","","0.84","0.84","0.84","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004220","17.601","0.011","17.601","0.011","12.235","0.008","90","","90","","90","","3790","4","288","","288","","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(N,N'-diphenylbenzamidinato)dicopper(II) dichloromethane solvate","","- C78 H64 Cl4 Cu2 N8 -","- C78 H60 Cl4 Cu2 N8 -","- C156 H120 Cl8 Cu4 N16 -","2","0.25","CF1005","Halfpenny, J.","Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2542","2544","10.1107/S0108270195008651","","","0.7107","MoKα","","","0.056","","","0.056","","","","","1.427","1.427","","","","","has coordinates,has disorder","192027","2020-10-21","18:00:00",""
"2004221","18.479","0.004","14.511","0.005","14.389","0.004","90","","90","","90","","3858.4","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)","","- C16 H21 Mo N2 O4 P -","- C16 H21 Mo N2 O4 P -","- C128 H168 Mo8 N16 O32 P8 -","8","1","CF1007","Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.","[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)","Acta Crystallographica Section C","1995","51","12","2480","2482","10.1107/S0108270195007426","","","0.71069","MoKα","","0.0886","0.0362","","0.1275","0.0858","","","","0.653","0.617","0.617","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004222","12.826","0.0005","16.9115","0.0004","9.0052","0.0003","90","","90","","90","","1953.29","0.11","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","1.54178","CuKα","","0.0504","0.0494","","0.1383","0.1362","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004223","12.34","0.001","13.766","0.002","17.1648","0.0009","90","","92.258","0.009","90","","2913.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3-trimethyl-4-benzenesulfonyl-3-(1-benzenesulfonyl-1H-indole-3-yl)- 2,2,3,4-tetrahydro-cyclopenta[b]indole","","- C34 H30 N2 O4 S2 -","- C34 H30 N2 O4 S2 -","- C136 H120 N8 O16 S8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","0.71069","MoKα","","0.129","0.0502","","0.1446","0.1151","","","","1.008","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004224","7.774","0.016","7.973","0.012","8.053","0.017","94.28","0.15","109.45","0.19","105.67","0.13","445.7","1.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S2 -","- C7 H4 N2 O2 S2 -","- C14 H8 N4 O4 S4 -","2","1","CF1016","Howie, R. A.; Wardell, J. L.","2-Nitrobenzenesulfenyl Thiocyanate","Acta Crystallographica Section C","1995","51","12","2651","2652","10.1107/S0108270195009474","","","0.71073","MoKα","","","0.07","","","0.071","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004225","14.04","0.003","5.804","0.001","17.728","0.002","90","","90","","90","","1444.6","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","CR1165","Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","4-(4-Chloroanilinomethyl)-6-methylcoumarin","Acta Crystallographica Section C","1995","51","12","2585","2586","10.1107/S0108270195006263","","","0.7093","MoKα","","","0.041","","","0.033","","","","","4.41","4.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004226","13.5","0.02","9.24","0.02","11.74","0.02","90","","104.4","0.2","90","","1418","5","20","","20","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","hexaammineruthenium(III)tristhiocyanate","","- C3 D18 N9 Ru S3 -","- C3 H24 N9 Ru S3 -","- C12 H96 N36 Ru4 S12 -","4","1","CR1174","Reynolds, P. A.; Figgis, B. N.; Schultz, A. J.","[Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1995","51","12","2517","2520","10.1107/S0108270195007153","","neutron","","Pulsed_neutron","","0.133","0.133","","0.11","0.11","","","","0.84","0.84","0.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004227","11.357","0.004","11.643","0.004","17.638","0.009","98.49","","96.44","","117.36","0.01","2005.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mo N4 O5 S2 -","- C38 H50 Mo N4 O5 S2 -","- C76 H100 Mo2 N8 O10 S4 -","2","1","CR1181","Li-Kao, J.; González, O.; Mariezcurrena, R.; Baggio, R.; Garland, M. T.; Carrillo, D.","A <i>cis</i>-Oxo[diphenylhydrazido(2‒)]molybdenum Complex: (Et~3~NH)~2~[MoO(NNPh~2~)(SC~6~H~4~CO~2~)~2~]","Acta Crystallographica Section C","1995","51","12","2486","2489","10.1107/S0108270195006007","","","0.71073","MoKα","","0.0344","0.0285","","0.0744","0.0702","","","","1.054","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004228","18.171","0.004","7.157","0.001","26.165","0.005","90","","90.2","0.03","90","","3402.7","1.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(2-nitrosophenyl)pyridine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.2602","0.063","","0.158","0.1","","","","0.694","1.136","1.136","","","","","has coordinates","198484","2020-10-21","18:00:00",""
"2004229","13.184","0.003","7.768","0.002","17.736","0.004","90","","91.5","0.03","90","","1815.8","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,6-dimethyl-3,5-dimethoxycarbonyl-4- (2-nitrophenyl)pyridine]dichlorocopper(II)","","- C34 H32 Cl2 Cu N4 O12 -","- C34 H32 Cl2 Cu N4 O12 -","- C68 H64 Cl4 Cu2 N8 O24 -","2","0.5","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.122","0.058","","0.1162","0.071","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004230","8.884","0.003","26.179","0.002","7.286","0.002","90","","90","","90","","1694.5","0.7","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","CR1190","Stomberg, R.; Li, S.; Lundquist, K.","(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid","Acta Crystallographica Section C","1995","51","12","2698","2700","10.1107/S0108270195009140","","","0.71073","MoKα","","","0.034","","","0.041","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004231","11.274","0.002","14.2626","0.0009","12.375","0.001","90","0.006","114.56","0.01","90","0.008","1809.8","0.4","293","","293","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","fac-tricarbonylrheniumbis[μ-methylaminobis(difluorophosphine)]triphenyl phosphineplatinum(Re-Pt) trifluoromethanesulfonate","","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C48 H42 F22 N4 O12 P10 Pt2 Re2 S2 -","2","0.5","CR1192","Mague, J. T.; Lin, Z.","A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","12","2508","2510","10.1107/S0108270195006470","","","0.71073","Mo-Kα","","0.046","0.028","","","0.039","","","","","1.327","1.327","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2004232","9.715","0.002","5.659","0.002","22.763","0.005","90","","100.1","0.01","90","","1232.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","CR1193","Rath, N. P.; Boehlow, T. R.; Spilling, C. D.","Ethyl 3-(3-Bromo-4-hydroxyphenyl)-2(<i>E</i>)-(hydroxyimino)propanoate","Acta Crystallographica Section C","1995","51","12","2654","2656","10.1107/S0108270195007335","","","0.71073","MoKα","","0.1553","0.0613","","0.1189","0.092","","","","0.97","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004233","11.914","0.002","17.96","0.002","11.997","0.002","90","","106.67","0.01","90","","2459.2","0.7","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cu6 N12 O2 S6 -","- C36 H42 Cu6 N12 O2 S6 -","- C72 H84 Cu12 N24 O4 S12 -","2","0.5","DE1000","Seth, S.; Das, A. K.; Mak, T. C. W.","Distant Copper‒Copper Interactions in a Metal-Organic Compound in the Solid State: Hexakis[(μ~3~-4,6-dimethylpyrimidine-2-thiolato-<i>N</i>:<i>S</i>:<i>S</i>)copper(I)] Dihydrate","Acta Crystallographica Section C","1995","51","12","2529","2532","10.1107/S0108270195005737","","","0.71073","MoKα","","","0.041","","","0.037","","","","","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004234","10.613","0.003","14.271","0.002","15.172","0.003","90","0.03","90","0.02","90","0.03","2297.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anomolin","8,8-dimethyl-9,10-di(2-methylbut-2-enoyloxy)-9,10-dihydropyrano [2,3-h] -[2H]-[1]-benzopyran-2-one","","- C24 H26 O7 -","- C24 H26 O7 -","- C96 H104 O28 -","4","1","DE1002","Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M.","Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i>","Acta Crystallographica Section C","1995","51","12","2710","2712","10.1107/S0108270195008341","","","0.7107","MoKα","","0.1964","0.0659","","0.2862","0.1638","","","","1.043","1.235","1.235","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004235","9.238","0.001","10.959","0.001","15.168","0.001","90","","90.64","0.01","90","","1535.5","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","DE1003","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D.","5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one","Acta Crystallographica Section C","1995","51","12","2637","2639","10.1107/S0108270195008353","","","0.71073","MoKα","","","0.042","","","0.11","","","","","0.899","0.899","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004236","10.8234","0.0009","10.3459","0.0008","14.381","0.002","90","","63.025","0.009","90","","1435.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylammonium Pentachlorobismuthate(III)","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C16 H64 Bi4 Cl20 N8 -","4","1","DU1124","Jarraya, S.; Ben Hassen, R.; Daoud, A.; Jouini, T.","Dimethylammonium Pentachlorobismuthate(III)","Acta Crystallographica Section C","1995","51","12","2537","2538","10.1107/S010827019500758X","","","0.71069","MoKα","","0.0594","0.0382","","0.0706","0.0668","","","","1.306","1.394","1.394","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004237","4.945","0.002","4.945","0.002","36.78","0.01","90","1","90","1","120","1.3","779","10","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce2 Ni5 Zn2 -","- Ce2 Ni5 Zn2 -","- Ce12 Ni30 Zn12 -","6","0.166667","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.064","0.055","","0.052","0.05","","","","1.684","1.785","1.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004238","5.045","0.003","5.045","0.003","16.434","0.007","90","","90","","120","","362.2","0.3","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni2 Zn -","- Ce Ni2 Zn -","- Ce6 Ni12 Zn6 -","6","0.25","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.085","0.066","","0.034","0.034","","","","2.711","2.512","2.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004239","7.179","0.002","8.354","0.002","14.455","0.004","90","","93.8","0.02","90","","865","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al3 Fe2 Si3 -","- Al3 Fe2 Si3 -","- Al24 Fe16 Si24 -","8","2","DU1127","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","Fe~2~Al~3~Si~3~","Acta Crystallographica Section C","1995","51","12","2461","2464","10.1107/S0108270195007864","","","0.71073","MoKα","","","0.017","","","0.0218","","","","","0.64","0.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004241","7.9572","0.0016","15.7497","0.0012","8.505","0.0015","90","","110.2","0.02","90","","1000.3","0.3","290","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C36 H48 N16 O4 -","4","1","FG1045","Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V.","1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent","Acta Crystallographica Section C","1995","51","12","2624","2627","10.1107/S0108270195008419","","","0.710939","MoKα","","","0.061","","","0.05","","","","","3.43","3.43","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004242","6.531","0.006","11.659","0.002","32.198","0.007","90","","90","","90","","2452","2","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten","","- C9 H16 O3 Si W -","- C9 H16 O3 Si W -","- C72 H128 O24 Si8 W8 -","8","1","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.084","","","0.114","","","","","4.1","4.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004243","19.326","0.002","9.831","0.001","23.485","0.006","90","","107.25","0.01","90","","4261.3","1.3","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","η-Pentamethylcyclopentadienyl-oxoperoxo- (trimethylsilylmethyl)tungsten - tetracyanoethylene","","- C34 H52 N4 O6 Si2 W2 -","- C36 H52 N4 O6 Si2 W2 -","- C144 H208 N16 O24 Si8 W8 -","4","0.5","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.04","","","0.051","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004244","5.415","0.002","11.618","0.005","15.558","0.009","90","","90","","90","","978.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Gylcyl-L-Glutamine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C28 H60 N12 O20 -","4","1","FG1069","Panneerselvam, K.; Soriano-García, M.","<small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate","Acta Crystallographica Section C","1995","51","12","2718","2720","10.1107/S0108270195009218","","","1.54178","CuKα","","0.0341","0.034","","0.09","0.0898","","","","1.05","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004245","8.106","0.001","14.788","0.001","7.866","0.001","100.93","0.01","103.28","0.01","90.86","0.01","899.35","0.18","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1,8-dichloro-9,10-dihydro-9,10- ethenoanthracene-11,12-dicarboxylate","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","FG1082","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2685","2687","10.1107/S0108270195007943","","","1.54178","CuKα","","","0.036","","","0.052","","","","","3.96","3.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004246","9.756","0.001","10.556","0.001","8.83","0.001","107.22","0.01","105.31","0.01","95.4","0.01","822.99","0.17","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-chloro-4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8c,8d-dicarboxylate","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C40 H30 Cl2 O8 -","2","1","FG1085","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2690","2691","10.1107/S0108270195008237","","","1.54178","CuKα","","","0.035","","","0.046","","","","","4.2","4.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004247","10.718","0.001","13.05","0.001","5.5074","0.0004","90.27","0.01","104.32","0.01","109.86","0.01","698.66","0.12","294","","294","","","","","","","","","3","P -1","-P 1","2","","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5,8,5,8] octacosane OR 5,5-Dimethyl-1,3-dioxacyclohexan-2-spiro-1'-cyclooctadecan- 10'-spiro-2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane OR Dispiro[5,5-dimethyl-1,3-dioxacyclohexane-2,1'-cyclooctadecan- 10',2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane]","","- C28 H52 O4 -","- C28 H52 O4 -","- C28 H52 O4 -","1","0.5","FG1091","Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane","Acta Crystallographica Section C","1995","51","12","2688","2690","10.1107/S0108270195008201","","","1.54178","CuKα","","","0.042","","","0.056","","","","","2.9","2.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004248","9.92","0.0007","11.2088","0.0008","11.7547","0.0006","90","","96.931","0.005","90","","1297.47","0.15","294.2","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","0.5","FG1093","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","Acta Crystallographica Section C","1995","51","12","2687","2688","10.1107/S0108270195008663","","","1.54178","CuKα","","0.0904","0.0384","","0.0397","0.0366","","","","","2.339","2.339","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004249","12.452","0.002","16.182","0.002","8.118","0.002","90","","90.68","0.02","90","","1635.6","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thionocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","0.71069","MoKα","","","0.048","","","0.055","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004250","7.911","0.001","14.457","0.001","14.813","0.001","90","","90.9","0.01","90","","1693.9","0.3","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thiolocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","1.54178","CuKα","","","0.042","","","0.064","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004251","15.225","0.004","8.652","0.003","9.306","0.002","90","","90","","90","","1225.8","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,3-benzobicyclo[2.2.1]hepta-2,5-diene)tricarbonylchromium","","- C14 H10 Cr O3 -","- C14 H10 Cr O3 -","- C56 H40 Cr4 O12 -","4","1","FG1100","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","<i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium","Acta Crystallographica Section C","1995","51","12","2565","2567","10.1107/S0108270195008432","","","0.7107","MoKα","","0.0755","0.0328","","0.0331","0.0287","","","","","1.579","1.579","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004252","11.13","0.001","13.157","0.007","23.077","0.002","90","","95.68","0.01","90","","3362.7","1.8","239","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","","","","","- C72 H84 Li2 O9 Sn3 -","- C74 H70 Li2 O7 Sn3 -","- C148 H140 Li4 O14 Sn6 -","2","0.5","HU1067","Smith, G. D.; Fanwick, P. E.; Rothwell, I. P.","A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph","Acta Crystallographica Section C","1995","51","12","2501","2503","10.1107/S0108270193012302","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004253","6.886","0.003","7.106","0.003","10.591","0.004","75.23","0.04","84.72","0.03","69.46","0.03","469.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C24 H14 N2 O6 -","2","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004254","6.245","0.002","13.399","0.005","11.899","0.003","90","","98.14","0.03","90","","985.6","0.5","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O -","- C12 H7 I O -","- C48 H28 I4 O4 -","4","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.03","","","0.038","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004255","15.922","0.006","9.591","0.004","23.019","0.009","90","","102.34","0.03","90","","3434","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 I O9 P -","- C33 H46 I O9 P -","- C132 H184 I4 O36 P4 -","4","1","HU1104","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Hexyltris(2,4,6-trimethoxyphenyl)phosphonium Iodide","Acta Crystallographica Section C","1995","51","12","2683","2685","10.1107/S0108270194013363","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004256","9.344","0.002","6.509","0.002","12.764","0.003","90","","108.53","0.02","90","","736.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-Dichlorocyclotetra(azathiene)","","- Cl2 N4 S4 -","- Cl2 N4 S4 -","- Cl8 N16 S16 -","4","1","HU1126","Žák, Z.; Ružička, A.","Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K","Acta Crystallographica Section C","1995","51","12","2478","2479","10.1107/S010827019500744X","","","0.71073","MoKα","","0.036","0.0253","","0.074","0.0696","","","","1.053","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004257","7.813","0.002","12.708","0.003","9.392","0.002","90","","101.14","0.02","90","","914.9","0.4","24","","24","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","HU1148","Cristiano, M. L. S.; Johnstone, R. A. W.; Pratt, M. J.","3-Hydroxy-2,6-dinitroacetophenone: an Unusual Substitution Pattern Resulting from Nitration of 3-Hydroxyacetophenone","Acta Crystallographica Section C","1995","51","12","2581","2583","10.1107/S0108270195007451","","","0.7107","MoKα","","","0.0656","","","0.0766","","","","","2.982","2.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004258","13.372","0.001","15.427","0.002","16.627","0.006","104.79","0.02","77.32","0.02","104.4","0.01","3167.3","1.3","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cu N P S5 -","- C29 H35 Cu N P S5 -","- C116 H140 Cu4 N4 P4 S20 -","4","2","JZ1010","Sheng, T.; Li, H.; Huang, Q.; Wu, X.","Tetraethylammonium (2-Thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>^4^,<i>S</i>^5^)triphenylphosphinecopper(I)","Acta Crystallographica Section C","1995","51","12","2524","2526","10.1107/S0108270195002885","","","0.71073","MoKα","","","0.069","","","0.089","","","","","1.58","1.58","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004259","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H23 N2 Ni O2 -","- C184 H184 N16 Ni8 O16 -","8","1","JZ1023","Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.","{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","12","2520","2522","10.1107/S0108270195007025","","","0.71093","MoKα","","0.1333","0.0377","","0.1202","0.0886","","","","0.998","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004260","12.658","0.001","14.186","0.002","9.527","0.001","90","","90","","90","","1710.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","[2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl","","- C16 H14 Cr N2 O5 -","- C16 H14 Cr N2 O5 -","- C64 H56 Cr4 N8 O20 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0639","0.0405","","0.1055","0.092","","","","1.033","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004261","10.834","0.002","11.745","0.002","12.222","0.002","108.09","0.02","98.22","0.02","100.11","0.02","1422.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","[2(E)-3-dibenzylamino-1-ethoxy-6,6-dimethylhept-2-ene-4-in-ylidene]","","- C30 H29 Cr N O6 -","- C30 H29 Cr N O6 -","- C60 H58 Cr2 N2 O12 -","2","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0358","0.0319","","0.0853","0.0825","","","","1.042","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004262","9.95","0.001","18.856","0.004","12.522","0.002","90","","94.3","0.01","90","","2342.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-oxa-cyclo-pentenylidene)pentacarbonylchromium","","- C25 H21 Cr N O6 -","- C25 H21 Cr N O6 -","- C100 H84 Cr4 N4 O24 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0705","0.0428","","0.1124","0.0897","","","","1.074","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004263","10.6502","0.0009","11.0148","0.0004","12.0539","0.0011","97.511","0.006","112.647","0.007","102.092","0.005","1240.56","0.18","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(β-carboxymethylethyl)bis(quinolin-8-olato)tin","","- C26 H26 N2 O6 Sn -","- C26 H26 N2 O6 Sn -","- C52 H52 N4 O12 Sn2 -","2","1","JZ1055","Ng, S. W.; Kumar Das, V. G.","Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin","Acta Crystallographica Section C","1995","51","12","2492","2494","10.1107/S0108270195007347","","","0.71073","MoKα","","0.04","0.031","","0.0784","0.074","","","","1.068","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004264","13.2","0.003","15.0884","0.0013","16.57","0.005","90","","105.869","0.01","90","","3174.4","1.2","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","bromotriphenyltin.triphenylphosphine oxide","","- C36 H30 Br O P Sn -","- C36 H30 Br O P Sn -","- C144 H120 Br4 O4 P4 Sn4 -","4","1","JZ1056","Ng, S. W.","Bromotriphenyltin‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1995","51","12","2563","2565","10.1107/S0108270195007359","","","0.71073","MoKα","","0.0607","0.044","","0.1139","0.1034","","","","1.055","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004265","17.194","0.008","12.293","0.004","18.938","0.009","90","","138.54","0.03","90","","2650","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C80 H64 Cl8 F24 N16 O24 Pd8 -","4","1","JZ1060","Mossi, W.; Klaus, A. J.; Rys, P.; Currao, A.; Nesper, R.","Bis(μ-trifluoroacetato-<i>O</i>,<i>O</i>')bis{[3-chloro-6-methyl-2-(<i>N</i>-methyl-<i>N</i>-nitrosoamino)phenyl-<i>C</i>,<i>N</i>^N=O^]palladium(II)}","Acta Crystallographica Section C","1995","51","12","2549","2551","10.1107/S0108270195008559","","","0.71073","MoKα","","0.1099","0.0593","","0.1541","0.1191","","","","1.129","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004266","14.615","0.003","14.625","0.003","10.33","0.002","90","","107.67","0.02","90","","2103.8","0.8","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","The Muscarinic Antagonist, 8,8-Dimethyl-3',3'-Diphenyl-spiro[8- azoniabicyclo[3.2.1]octane-3,2'-[1,3]-dioxolane]-4'-one iodide (BVT44Me).","","- C23 H26 I N O3 -","- C23 H26 I N O3 -","- C92 H104 I4 N4 O12 -","4","1","JZ1064","Frydenvang, K.; Castiglione, M.","Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide","Acta Crystallographica Section C","1995","51","12","2644","2647","10.1107/S0108270195008973","","","1.5418","CuKα","","0.0369","0.0322","","0.0849","0.0811","","","","1.057","1.067","1.067","","","","","has coordinates,has Fobs","288352","2023-12-15","18:37:27",""
"2004267","6.477","0.001","8.386","0.002","9.448","0.001","82.09","0.02","69.62","0.02","82.36","0.02","474.48","0.16","128","5","128","5","","","","","","","","6","P -1","-P 1","2","","Pentacarbonyl(difluoromethyl isocyanide)chromium","","- C7 H Cr F2 N O5 -","- C7 H Cr F2 N O5 -","- C14 H2 Cr2 F4 N2 O10 -","2","1","KA1080","Lentz, D.; Preugschat, D.","Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K","Acta Crystallographica Section C","1995","51","12","2482","2484","10.1107/S0108270195006536","","","0.71069","MoKα","","0.036","0.0334","","0.106","0.0971","","","","1.091","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004268","12.017","0.001","12.017","0.001","32.942","0.002","90","","90","","120","","4119.8","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C24 H40 Co N5 O4 -","- C24 H40 Co N5 O4 -","- C144 H240 Co6 N30 O24 -","6","1","KA1115","Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.","The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State","Acta Crystallographica Section C","1995","51","12","2522","2524","10.1107/S0108270195007189","","","0.71069","MoKα","","0.0674","0.0471","","0.1665","0.1283","","","","1.093","0.941","0.941","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004269","10.64","0.003","10.618","0.004","5.976","0.002","90","","102.86","0.02","90","","658.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1,5-diamino-2,4,6,8-tetraazabicyclo[3.3.0]octan3,7-dione","","- C4 H8 N6 O2 -","- C4 H8 N6 O2 -","- C16 H32 N24 O8 -","4","1","KA1136","Modric, N.; Poje, M.; Vickovic, I.","<i>cis</i>-1,5-Diamino-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione","Acta Crystallographica Section C","1995","51","12","2594","2595","10.1107/S0108270195008122","","","1.54178","CuKα","","0.042","0.042","","0.1207","0.1207","","","","1.289","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004270","9.305","0.003","25.934","0.004","9.937","0.001","90","","99.02","0.01","90","","2368.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","KA1138","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","<i>N</i>-Methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","Acta Crystallographica Section C","1995","51","12","2722","2723","10.1107/S0108270195009292","","","0.7107","MoKα","","0.089","0.059","","0.1784","0.1562","","","","0.985","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004271","8.83","0.001","11.658","0.002","11.492","0.002","90","","104.25","0.01","90","","1146.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","xanthyletin","8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","KA1139","Rudiño-Piñera, E.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.; Anaya, A. L.; García-Santana, C.; Mata, R.; Sánchez, P.","Xanthyletin","Acta Crystallographica Section C","1995","51","12","2720","2722","10.1107/S0108270195009309","","","1.54178","CuKα","","0.0501","0.044","","0.1259","0.1199","","","","1.129","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004272","8.863","0.001","13.429","0.001","15.791","0.001","90","","90","","90","","1879.5","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004273","8.363","0.001","10.453","0.001","12.27","0.001","90","","94.91","0.01","90","","1068.69","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.034","","","0.037","","","","","1.42","1.42","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004274","8.712","0.001","12.848","0.002","17.971","0.002","90","","90.39","0.01","90","","2011.5","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O4 -","- C19 H31 N O4 -","- C76 H124 N4 O16 -","4","2","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.051","","","0.053","","","","","1.402","1.402","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004275","8.228","0.001","15.31","0.002","17.027","0.001","90","","90","","90","","2144.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl N2 O3 -","- C19 H31 Cl N2 O4 -","- C76 H124 Cl4 N8 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.055","","","0.053","","","","","1.361","1.361","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004276","8.039","0.001","11.097","0.001","8.498","0.001","90","","98.92","0.01","90","","748.93","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.027","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004277","8.512","0.001","9.375","0.001","10.607","0.001","90","","105.49","0.01","90","","815.69","0.16","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.046","","","0.042","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004278","16.578","0.003","10.193","0.008","31.574","0.004","90","","100.92","0.01","90","","5239","4","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Cr O6 P3 S6 -","- C36 H66 Cr O6 P3 S6 -","- C144 H264 Cr4 O24 P12 S24 -","4","1","KH1031","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-<i>S</i>,<i>S</i>')chromium(III)","Acta Crystallographica Section C","1995","51","12","2484","2486","10.1107/S0108270195007323","","","0.71069","MoKα","","","0.061","","","0.072","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004279","20.934","0.004","7.636","0.0004","12.966","0.002","90","","100.25","0.008","90","","2039.6","0.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C80 H72 N16 O32 -","4","0.5","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.033","","","0.097","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004280","7.892","0.001","9.49","0.002","10.115","0.002","91.83","0.001","91.46","0.001","100.35","0.002","744.5","0.2","298","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O8 -","- C13 H15 N3 O8 -","- C26 H30 N6 O16 -","2","1","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.046","","","0.119","","","","","1","1","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004281","5.558","0.001","5.7557","0.0008","15.656","0.002","90","","92.61","0.01","90","","500.32","0.13","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","(E)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.035","","","0.049","","","","","1.2","1.2","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004282","9.076","0.004","9.925","0.003","11.833","0.003","90","","109.61","0.02","90","","1004.1","0.6","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.037","","","0.057","","","","","1.39","1.39","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004283","12.16","0.005","12.482","0.005","14.755","0.005","68.172","0.005","80.307","0.005","61.792","0.005","1832","1.2","100","","100","","","","","","","","","4","P 1","P 1","1","","1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane)","","- C40 H52 Li O6 -","- C40 H52 Li O6 -","- C80 H104 Li2 O12 -","2","2","KH1040","Näther, C.; Bock, H.; Bolte, M.","Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion","Acta Crystallographica Section C","1995","51","12","2510","2514","10.1107/S0108270195007396","","","0.7106","MoKα","","0.0623","0.0433","","0.1289","0.1198","","","","1.043","1.088","1.088","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004284","33.131","0.003","7.792","0.001","7.256","0.001","90","","90","","90","","1873.2","0.4","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-nitroanilinium)tetrachlorocadmate","","- C12 H14 Cd Cl4 N4 O4 -","- C12 H14 Cd Cl4 N4 O4 -","- C48 H56 Cd4 Cl16 N16 O16 -","4","0.5","KH1041","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.","Bis(4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1995","51","12","2534","2537","10.1107/S0108270195007384","","","0.7107","MoKα","","","0.028","","","0.034","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004285","14.002","0.003","9.0989","0.0006","15.413","0.004","90","","114.24","0.01","90","","1790.5","0.6","298","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N2 O P S3 -","- C14 H23 N2 O P S3 -","- C56 H92 N8 O4 P4 S12 -","4","1","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0367","","0.1133","","","","","0.959","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004286","9.836","0.009","14.01","0.01","15.733","0.008","96.89","0.05","91.95","0.05","107.7","0.04","2045","3","298","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N2 O P S5 -","- C14.5 H23 N2 O P S5 -","- C58 H92 N8 O4 P4 S20 -","4","2","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0475","","0.1306","","","","","1.045","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004287","19.34","0.04","19.34","0.04","25.688","0.016","90","","90","","120","","8321","2","120","1","120","1","","","","","","","","5","P 63/m","-P 6c","176","Terbium(III)cerium(IV)hydrogen sulphate hydrate","","","- Ce6 H153.66 O180.45 S27 Tb7 -","- Ce6 O181.72 S27 Tb7 -","- Ce12 O363.44 S54 Tb14 -","2","0.166667","LI1136","Barnes, J. C.","An Acid Terbium(III) Cerium(IV) Sulfate Hydrate, H~9~Tb~7~Ce~6~(SO~4~)~27~.72.2H~2~O","Acta Crystallographica Section C","1995","51","12","2466","2469","10.1107/S0108270195009267","","","0.71069","MoKα","","0.0953","0.0692","","0.1874","0.1631","","","","1.02","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004288","23.382","0.006","10.16","0.003","11.265","0.005","90","","92.78","0.03","90","","2673","1.6","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","","- C28 H26 Cl N O2 S Sn -","- C28 H26 Cl N O2 S Sn -","- C112 H104 Cl4 N4 O8 S4 Sn4 -","4","1","MU1188","Aupers, J. H.; Wardell, J. L.","[4-Chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","Acta Crystallographica Section C","1995","51","12","2559","2561","10.1107/S0108270195008110","","","0.71073","MoKα","","","0.035","","","0.042","","","","","0.934","0.934","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004289","15.401","0.007","18.228","0.011","5.857","0.003","90","","90","","90","","1644.2","1.5","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I)","(3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I)","","- C15 H18 Au N4 O2 P -","- C15 H18 Au N4 O2 P -","- C60 H72 Au4 N16 O8 P4 -","4","1","MU1194","Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.","(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1995","51","12","2551","2554","10.1107/S0108270195008109","","","0.71073","MoKα","","0.0375","0.0351","","0.0849","0.0833","","","","1.12","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004290","9.561","0.002","16.723","0.004","10.536","0.003","90","","115.87","0.02","90","","1515.8","0.7","178","2","178","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Mo2 N2 O4 -","- C30 H44 Mo2 N2 O4 -","- C60 H88 Mo4 N4 O8 -","2","0.5","NA1159","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.","Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2496","2498","10.1107/S0108270195006822","","","0.71073","MoKα","","0.1282","0.0628","","0.222","0.1482","","","","1.009","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004291","9.184","0.002","14.793","0.001","10.495","0.002","90","","97.22","0.01","90","","1414.5","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 N10 O4 Sn -","- C18 H26 Cl4 N10 O4 Sn -","- C36 H52 Cl8 N20 O8 Sn2 -","2","0.5","NA1160","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D.","Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate","Acta Crystallographica Section C","1995","51","12","2561","2563","10.1107/S0108270195005051","","","0.71073","MoKα","","","0.038","","","0.042","","","","","1.506","1.506","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004292","12.785","0.005","9.265","0.004","12.881","0.004","90","","97.39","0.03","90","","1513.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N O4 Rh -","- C15 H22 N O4 Rh -","- C60 H88 N4 O16 Rh4 -","4","1","NA1162","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.; Hölscher, H.","Intramolecular Coordination of the Dimethylamino Group in a Rhodium‒Oxalate Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2494","2496","10.1107/S0108270195006871","","","0.71073","MoKα","","0.1236","0.0605","","0.1694","0.1147","","","","1.126","1.181","1.181","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004293","11.772","0.005","9.346","0.003","17.186","0.008","90","0.03","91.7","0.04","90","0.03","1890","1.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C72 H88 Cl8 N8 O16 -","4","1","NA1170","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine","Acta Crystallographica Section C","1995","51","12","2612","2615","10.1107/S010827019500730X","","","0.71069","MoKα","","0.1163","0.0344","","0.0998","0.0773","","","","1.006","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004294","44.117","0.009","10.65","0.002","18.898","0.004","90","","92.16","0.03","90","","8873","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H51 Cl3 N P3 Ru -","- C49 H50 Cl3.5 Cs N P3 Ru -","- C392 H400 Cl28 Cs8 N8 P24 Ru8 -","8","1","NA1178","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2514","2517","10.1107/S0108270195007591","","","1.54184","CuKα","","","0.0339","","","0.0999","","","","","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004295","15.515","0.001","15.515","0.001","8.851","0.001","90","","90","","90","","2130.6","0.3","298","","","","","","","","","","","3","I -4","I -4","82","","","","- C13 H18 O -","- C13 H18 O -","- C104 H144 O8 -","8","1","NA1181","Bohnen, F. M.; Maier, W. F.; Krüger, C.","Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol","Acta Crystallographica Section C","1995","51","12","2639","2641","10.1107/S0108270195009590","","","0.71069","MoKα","","","0.034","","","0.102","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004296","9.597","0.004","11.288","0.004","11.984","0.004","92.28","0.03","109.58","0.03","99.1","0.03","1201.7","0.8","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","1","0.5","NA1186","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.","Bis[(2-hydroxyethyl)dimethylammonium] Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis[(benzoato-<i>O</i>)cuprate(II)]","Acta Crystallographica Section C","1995","51","12","2544","2546","10.1107/S0108270195007682","","","0.71069","MoKα","","","0.048","","","0.0552","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004297","30.403","0.001","8.13","0.001","10.354","0.002","90","","101.889","0.001","90","","2504.4","0.6","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N -","- C14 H11 Cl2 N -","- C112 H88 Cl16 N8 -","8","1","NA1187","Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M.","Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[<i>b</i>]naphthalene Derivative","Acta Crystallographica Section C","1995","51","12","2714","2715","10.1107/S0108270195009383","","","0.71073","MoKα","","","0.056","","","0.05","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004298","7.213","0.002","9.102","0.003","10.08","0.004","80.49","0.03","86.85","0.03","74.32","0.02","628.4","0.4","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","[15]aneS2O3","1,4,7-trioxa-10,13-dithiacyclopentdecane","","- C10 H20 O3 S2 -","- C10 H20 O3 S2 -","- C20 H40 O6 S4 -","2","1","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0284","0.0248","","0.0666","0.0622","","","","1.037","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004299","15.9074","0.0012","9.5181","0.0008","12.5255","0.001","90","","124.351","0.004","90","","1565.7","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[18]aneS2O4","1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","","- C12 H24 O4 S2 -","- C12 H24 O4 S2 -","- C48 H96 O16 S8 -","4","0.5","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0535","0.0386","","0.1194","0.1058","","","","1.03","1.06","1.06","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004300","4.848","0.003","11.79","0.007","12.159","0.005","72.06","0.02","84.77","0.03","84.19","0.04","656.5","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","4-n-heptylbenzoic acid","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","NA1190","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-<i>n</i>-Heptylbenzoic Acid","Acta Crystallographica Section C","1995","51","12","2666","2668","10.1107/S0108270195007876","","","0.71073","MoKα","","0.2441","0.0672","","0.161","0.1057","","","","0.961","1.245","1.245","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004301","9.292","0.002","10.139","0.002","10.095","0.002","90","","91.59","0.03","90","","950.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trans-1-cyano-2-phenylcyclopropanecarboxamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","NA1194","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; López, M. P.","<i>trans</i>-1-Cyano-2-phenylcyclopropanecarboxamide","Acta Crystallographica Section C","1995","51","12","2703","2705","10.1107/S010827019500936X","","","0.71073","MoKα","","0.0713","0.0435","","0.1171","0.1005","","","","1.071","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004302","9.816","0.001","12.422","0.001","15.234","0.001","90","","90","","90","","1857.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-6-ethenyloctahydro-5,8- dihydroxy- 4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0714","0.0463","","0.1166","0.1043","","","","1.032","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004303","7.063","0.001","15.863","0.002","18.027","0.003","90","","90","","90","","2019.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-acetylmutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-acetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0696","0.0448","","0.0994","0.0887","","","","1.067","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004304","9.32","0.001","11.251","0.001","10.671","0.001","90","","109.266","0.008","90","","1056.29","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-bromoacetilmutilin","S-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-bromoacetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C44 H66 Br2 O8 -","2","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","","0.0444","","0.0912","0.0776","","","","","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004305","16.208","0.002","16.208","0.002","5.8","0.002","90","","90","","90","","1523.7","0.6","292","","292","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","PB(REO4)2.THIOUREA","","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C4 H24 N8 O52 Pb6 Re12 S4 -","2","0.25","NS1002","Macícek, J.; Angelova, O.","Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea)","Acta Crystallographica Section C","1995","51","12","2539","2542","10.1107/S0108270195004653","","","0.71073","MoKα","","0.073","0.041","","0.132","0.049","","","","1.946","0.736","0.736","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004307","7.711","0.002","12.728","0.003","13.728","0.003","90","","90","","90","","1347.3","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.073","","","","","2.25","2.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004308","7.711","0.001","12.562","0.002","13.989","0.002","90","","90","","90","","1355.1","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.05","","","","","0.712","0.712","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004309","11.933","0.002","7.322","0.001","15.551","0.005","90","","92.01","0.03","90","","1357.9","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","PA1175","Tenon, J. A.; Carles, M.; Aycard, J.-P.","<i>N</i>-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline","Acta Crystallographica Section C","1995","51","12","2603","2606","10.1107/S0108270195007967","","","0.71073","MoKα","","","0.041","","","0.041","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004310","12.582","0.002","12.582","0.002","3.937","0.002","90","","90","","90","","623.3","0.3","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- F4 K3 Nb3 O11 Ti2 -","- F K3 O2 Of12 St5 -","- F2 K6 O4 Of24 St10 -","2","0.125","PA1178","Ladjeroud, Z.; Balegroune, F.; Guehria, A.; Benziada, L.; Triki, S.","K~3~Nb~3~Ti~2~O~11~F~4~","Acta Crystallographica Section C","1995","51","12","2459","2461","10.1107/S0108270195007980","","","0.71073","MoKα","","","0.047","","","0.072","","","","","2.136","2.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004311","8.79","0.002","8.79","0.002","24.831","0.005","90","","90","","120","","1661.5","0.6","295","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C10 H18 Br4 N8 S2 Zn -","- C10 H18 Br4 N8 S2 Zn -","- C30 H54 Br12 N24 S6 Zn3 -","3","0.5","PA1185","Salas, J. M.; Romero, M. A.; Faure, R.","Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II)","Acta Crystallographica Section C","1995","51","12","2532","2534","10.1107/S0108270195007992","","","0.7107","MoKα","","","0.075","","","0.088","","","","","4.7","4.7","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2004312","5.175","0.001","11.172","0.002","14.057","0.002","82.46","0.01","81.7","0.02","77.03","0.02","779.6","0.2","292","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Br F N2 O2 -","- C17 H12 Br F N2 O2 -","- C34 H24 Br2 F2 N4 O4 -","2","1","PT1003","De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L.","3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1995","51","12","2620","2621","10.1107/S0108270195006639","","","0.71073","MoKα","","","0.058","","","0.062","","","","","1.65","1.65","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2004313","9.625","0.002","5.805","0.001","12.665","0.003","90","","109.63","0.05","90","","666.5","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","PT1011","Seetharaman, J.; Rajan, S. S.","8,9-Dimethoxybenzo[<i>b</i>]carbazole","Acta Crystallographica Section C","1995","51","12","2568","2570","10.1107/S0108270195006627","","","1.54184","CuKα","","","0.056","","","0.063","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004314","6.226","0.0016","14.3627","0.0015","14.551","0.002","90","","92.783","0.017","90","","1299.6","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole","","- C15 H9 Cl2 N S -","- C15 H9 Cl2 N S -","- C60 H36 Cl8 N4 S4 -","4","1","PT1025","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","2-[2-(3,4-Dichlorophenyl)vinyl]benzo[<i>d</i>]thiazole","Acta Crystallographica Section C","1995","51","12","2700","2702","10.1107/S0108270195008626","","","0.7093","MolybdenumKα","","0.082","0.049","","0.05","0.049","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004315","10.55","0.001","9.071","0.002","15.146","0.002","90","","103.37","0.01","90","","1410.2","0.4","213","","213","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N2 O2 S -","- C13 H15 Cl N2 O2 S -","- C52 H60 Cl4 N8 O8 S4 -","4","1","PT1026","Chai, C. L. L.; Hockless, D. C. R.","<i>trans</i>-3-(<i>p</i>-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione","Acta Crystallographica Section C","1995","51","12","2579","2581","10.1107/S0108270195007219","","","1.5418","CuKα","","0.0397","0.036","","0.0417","0.041","","","","","2.99","2.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004316","6.574","0.001","16.083","0.003","18.257","0.003","90","","90","","90","","1930.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","SX1000","Wolska, I.; Borowiak, T.","2-Cyano-2-phenylsparteine","Acta Crystallographica Section C","1995","51","12","2716","2718","10.1107/S0108270195007931","","","1.54178","CuKα","","0.0728","0.047","","0.1229","0.1229","","","","1.056","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004317","9.253","0.002","12.558","0.002","15.862","0.008","90","","90","","90","","1843.2","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.151","0.0737","","0.0788","0.0632","","","","","1.508","1.508","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004318","8.379","0.003","13.183","0.008","16.294","0.007","90","","90","","90","","1799.8","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.0479","0.0385","","0.0433","0.0411","","","","","1.285","1.285","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004319","10.458","0.002","16.969","0.003","9.739","0.002","90","","104.93","0.03","90","","1670","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocin-2,14-diol","","- C23 H16 O4 -","- C23 H16 O4 -","- C92 H64 O16 -","4","1","SZ1012","Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A.","8,16-Methano-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3]dioxocine-2,14-diol","Acta Crystallographica Section C","1995","51","12","2621","2624","10.1107/S0108270195003520","","","1.5418","CuKα","","0.0751","0.0561","","0.0796","0.073","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004320","12.391","0.005","17.316","0.004","21.908","0.007","90","","95.92","0.02","90","","4676","3","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 Sn -","- C24.5 H23 N1.5 O2 S3 Sn -","- C196 H184 N12 O16 S24 Sn8 -","8","2","TA1019","Ng, S. W.; Kumar Das, V. G.","(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthioacetato)triphenyltin","Acta Crystallographica Section C","1995","51","12","2489","2491","10.1107/S0108270194014575","","","0.71073","MoKα","","","0.05","","","0.055","","","","","0.446","0.446","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004321","5.487","0.003","10.51","0.004","17.796","0.009","100.61","0.04","96.03","0.04","97.23","0.04","992","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Br2 S5 -","- C17 H12 Br2 S5 -","- C34 H24 Br4 S10 -","2","1","TA1027","Yu, W.-T.; Qi, F.; Hong, L.","4,5-Bis(4-bromobenzylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1995","51","12","2606","2608","10.1107/S0108270195007906","","","0.71073","MoKα","","","0.076","","","0.074","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004322","11.119","0.001","6.368","0.001","5.582","0.001","101.6","0.01","90.43","0.01","102.4","0.01","377.6","0.1","292","1","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrahydro-6-methyl-1H-thieno[3,4-b]pyrrol-2(3H)-one","","- C7 H11 N O S -","- C7 H11 N O S -","- C14 H22 N2 O2 S2 -","2","1","TA1030","Mackay, M. F.; Henderson, S. A.; Savage, G. P.","Tetrahydro-6-methyl-1<i>H</i>,3<i>H</i>-thieno[3,4-<i>b</i>]pyrrol-2-one, an Analogue of Biotin","Acta Crystallographica Section C","1995","51","12","2673","2674","10.1107/S0108270195008912","","","1.5418","CuKα","","","0.047","","","0.066","","","","","3.01","3.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004323","19.362","0.016","5.128","0.006","8.159","0.006","90","","100.11","0.06","90","","797.5","1.3","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 B O2 -","- C8 H9 B O2 -","- C32 H36 B4 O8 -","4","1","TA1036","Gainsford, G. J.; Meinhold, R. H.; Woolhouse, A. D.","Styrylboronic Acid","Acta Crystallographica Section C","1995","51","12","2694","2696","10.1107/S010827019500919X","","","0.71073","MoKα","","","0.055","","","0.055","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004324","8.281","0.002","12.084","0.003","14.491","0.005","90","","90","","90","","1450.1","0.7","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (S)-2-benzoyloxy-4-bromo-4-methylpentanoate","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C56 H68 Br4 O16 -","4","1","TA1037","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzoyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","12","2583","2584","10.1107/S0108270195008444","","","0.71073","MoKα","","0.0569","0.0418","","0.093","0.0874","","","","1.054","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004325","10.001","0.001","20.603","0.002","8.601","0.001","90","","90","","90","","1772.2","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","VJ1020","Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.","<i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~","Acta Crystallographica Section C","1995","51","12","2641","2643","10.1107/S0108270195003702","","","1.5418","CuKα","","","0.037","","","0.038","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004326","15.185","0.002","9.81","0.001","12.823","0.002","90","","100.89","0.02","90","","1875.8","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N3 O3 -","- C18 H24 Cl N3 O3 -","- C72 H96 Cl4 N12 O12 -","4","1","VJ1025","Chandra Mohan, K.; Ravikumar, K.","Ondansetron Hydrochloride: a Competitive Serotonin 5-HT~3~ Receptor Blocker","Acta Crystallographica Section C","1995","51","12","2627","2629","10.1107/S0108270195008043","","","0.71073","MoKα","","","0.051","","","0.062","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004327","7.341","0.001","14.518","0.003","8.01","0.002","90","","94.01","0.03","90","","851.6","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N2 S2 -","- C6 H12 N2 S2 -","- C24 H48 N8 S8 -","4","0.5","VS1009","Shishkin, O. V.; Kolos, N. N.; Orlov, V. D.; Kuznetsov, V. P.; Lakin, E. E.","<i>o</i>-Phenylenediammonium Bis(hydrogensulfide)","Acta Crystallographica Section C","1995","51","12","2643","2644","10.1107/S0108270195006846","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.73","1.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004328","5.558","0.002","8.776","0.003","25.153","0.007","90","","95.46","0.02","90","","1221.3","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O6 -","- C25 H28 N4 O6 -","- C50 H56 N8 O12 -","2","1","VS1017","Mishnev, A. F.; Kemme, A. A.; Ancans, J. J.","<i>N</i>^{α^}-<i>tert</i>-Butoxycarbonyl-<i>N</i>^{τ^}-benzylhistidine <i>p</i>-Nitrobenzyl Ester","Acta Crystallographica Section C","1995","51","12","2601","2603","10.1107/S0108270195006834","","","0.71073","MoKα","","","0.049","","","0.049","","","","","0.988","0.988","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004329","5.311","0.001","9.495","0.001","11.442","0.002","94.13","0.02","93.79","0.02","93.6","0.02","572.92","0.16","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1126","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","2-Cyano-<i>N</i>-furfuryl-3-(2-furyl)acrylamide","Acta Crystallographica Section C","1996","52","1","203","205","10.1107/S0108270195008560","","","0.71069","MoKα","","","0.041","","","0.039","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004330","12.981","0.005","14.021","0.004","12.356","0.006","109.81","0.04","117.51","0.03","90.36","0.04","1840.5","1.6","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H80 Cr Fe Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","1","0.5","AB1128","Liu, H.; Xu, L.; Huang, J.; Chen, W.; Zhang, Q.","A Novel Octanuclear Mixed-Metal Cluster: Na~2~[Cr~0.5~Fe~0.5~Mo~3~O~4~(O~2~CEt)~8~]~2~","Acta Crystallographica Section C","1996","52","1","69","72","10.1107/S0108270195002927","","","0.71076","MoKα","","","0.056","","","0.064","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004331","8.653","0.002","20.225","0.004","14.724","0.003","90","","90","","90","","2576.8","0.9","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O4 -","- C14 H9 Cl2 N O4 -","- C112 H72 Cl16 N8 O32 -","8","1","AB1148","Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A.","4,4'-Dichloro-2,2'-iminodibenzoic Acid","Acta Crystallographica Section C","1996","52","1","166","168","10.1107/S0108270195008572","","","1.54178","CuKα","","","0.056","","","0.0747","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004332","9.929","0.002","8.75","0.002","11.23","0.002","90","","107.21","0.02","90","","932","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C42 H38 N2 O10 -","2","1","AB1277","Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>E</i>,4'<i>S</i>)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","1","246","248","10.1107/S0108270195010730","","","0.71073","MoKα","","0.0298","0.0287","","0.0704","0.0693","","","","1.058","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004333","12.799","0.005","12.969","0.009","7.885","0.004","90","","99.01","0.04","90","","1292.7","1.2","293","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N6 O20 U2 -","- C12 H40 N8 O20 U2 -","- C24 H80 N16 O40 U4 -","2","0.25","AB1283","Hämäläinen, R.; Turpeinen, U.; Mutikainen, I.","Di-μ-aqua-bis[bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)] Bis(2-dimethylaminoethanol)","Acta Crystallographica Section C","1996","52","1","16","17","10.1107/S0108270195009255","","","0.71069","MoKα","","","0.057","","","0.062","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004334","12.848","0.004","6.356","0.003","12.391","0.004","90","","113.48","0.05","90","","928.1","0.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.05","","","0.0486","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004335","10.48","0.003","8.926","0.003","19.503","0.006","90","","90","","90","","1824.4","1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N S2 -","- C9 H9 N S2 -","- C72 H72 N8 S16 -","8","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.223","1.223","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004336","18.028","0.002","18.173","0.003","18.856","0.003","90","","113.985","0.011","90","","5644.2","1.5","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Racemic cis-dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","","- C22 H38 Cl2 O4 Ti -","- C22 H38 Cl2 O4 Ti -","- C176 H304 Cl16 O32 Ti8 -","8","2","AB1297","Glidewell, C.; Turner, G. M.; Ferguson, G.","Racemic <i>cis</i>-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","Acta Crystallographica Section C","1996","52","1","11","14","10.1107/S0108270195012224","","","0.7107","MolybdenumKα","","0.2081","0.065","","0.2157","0.1796","","","","0.884","1.376","1.376","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004337","8.7777","0.0007","16.8264","0.0018","11.3773","0.0009","90","","93.077","0.007","90","","1678","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C56 H80 N16 O24 -","4","1","AB1307","Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A.","6-[1,2-(<i>Z</i>)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","254","256","10.1107/S0108270195012613","","","0.7107","MoKα","","0.0607","0.0386","","0.1169","0.1098","","","","1.058","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004338","7.2245","0.0015","8.7974","0.0013","9.181","0.002","81.627","0.013","80.521","0.013","76.58","0.015","556.31","0.19","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methoxypyridine","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0626","0.0468","","0.1408","0.1335","","","","1.127","1.246","1.246","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004339","8.072","0.001","8.6448","0.0014","8.99","0.002","94.35","0.02","111.133","0.013","91.703","0.013","582.35","0.18","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methylthiopyridine","","- C10 H12 N2 O4 S -","- C10 H12 N2 O4 S -","- C20 H24 N4 O8 S2 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0424","0.0347","","0.0959","0.0922","","","","1.033","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004340","6.9874","0.0004","10.647","0.002","27.0341","0.0016","90","","90","","90","","2011.2","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one","","- C16 H20 N4 O9 S -","- C16 H20 N4 O9 S -","- C64 H80 N16 O36 S4 -","4","1","AB1309","Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.","2-Methylthio-5-nitroso-6-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","148","150","10.1107/S0108270195012595","","","0.7107","MoKα","","0.1538","0.0575","","0.1967","0.1578","","","","0.913","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004341","7.8019","0.001","15.889","0.002","10.202","0.002","90","","96.24","0.02","90","","1257.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0747","0.0417","","0.1028","0.0932","","","","1.009","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004342","7.8583","0.0009","15.842","0.002","10.368","0.002","90","","94.047","0.014","90","","1287.5","0.3","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine","","- C21 H26 N2 O11 S -","- C21 H26 N2 O11 S -","- C42 H52 N4 O22 S2 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0786","0.0459","","0.1131","0.1032","","","","0.993","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004343","4.6528","0.0006","8.98","0.0009","20.5944","0.0014","90","","91.752","0.008","90","","860.08","0.15","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-1-methyl-5-hydroxoiminomethyluracil Hydrate","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","1","AB1318","Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate","Acta Crystallographica Section C","1996","52","1","170","172","10.1107/S0108270195013229","","","0.7107","MoKα","","0.0977","0.0453","","0.1159","0.102","","","","0.968","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004344","10.3023","0.0009","6.6712","0.0007","33.0305","0.0004","90","","95.489","0.008","90","","2259.7","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 mixture of N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide and N,N'-bis(cis-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1013","0.0423","","0.1075","0.0941","","","","0.933","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004345","6.2996","0.0011","31.207","0.0012","6.378","0.003","90","","110.57","0.02","90","","1173.9","0.6","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1309","0.0517","","0.1568","0.1162","","","","0.909","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004346","7.307","0.002","12.327","0.001","12.33","0.003","90","","100.12","0.01","90","","1093.3","0.4","298","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N5 O5 -","- C9 H9 N5 O5 -","- C36 H36 N20 O20 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.035","","","0.091","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004347","24.07","0.005","4.332","0.003","11.8298","0.0005","90","","90","","90","","1233.5","0.9","298","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N6 O7 -","- C9 H8 N6 O7 -","- C36 H32 N24 O28 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.037","","","0.087","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004348","10.224","0.001","14.7","0.002","13.069","0.003","90","","103.63","0.02","90","","1908.9","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu2 I2 N6 -","- C14 H16 Cu2 I2 N6 -","- C56 H64 Cu8 I8 N24 -","4","1","AS1186","Sheu, S.-C.; Lee, G.-H.; Ho, T.-I.; Lin, Y.-C.; Peng, S.-M.","A Polymeric Cu^I^ Complex of Bis(1-pyrazolylmethyl)(2-pyridylmethyl)amine (BPPA), [Cu~2~(μ-BPPA)(μ-I)~2~]~<i>n~</i>","Acta Crystallographica Section C","1996","52","1","56","59","10.1107/S0108270195009565","","","0.71073","MoKα","","","0.029","","","0.026","","","","","2.89","2.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004349","7.242","0.007","14.634","0.004","13.772","0.005","90","","97.89","0.07","90","","1445.7","1.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Al N -","- C16 H18 Al N -","- C64 H72 Al4 N4 -","4","1","AS1192","Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z.","Adduct of AlMe~3~ with Benzo[<i>f</i>]quinoline","Acta Crystallographica Section C","1996","52","1","35","37","10.1107/S0108270195009681","","","0.71069","MoKα","","","0.064","","","0.073","","","","","2.11","2.11","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004350","9.451","0.003","11.916","0.002","23.938","0.007","90","","90","","90","","2695.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(orthochlorophenyl) thiourea.","","- C13 H10 Cl2 N2 S -","- C13 H10 Cl2 N2 S -","- C104 H80 Cl16 N16 S8 -","8","2","AS1197","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1,3-Bis(2-chlorophenyl)thiourea","Acta Crystallographica Section C","1996","52","1","134","136","10.1107/S0108270195009693","","","0.71073","MoKα","","0.061","0.0449","","0.1162","0.1092","","","","0.964","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004351","16.216","0.003","16.216","0.003","16.216","0.003","90","","90","","90","","4264.1","1.4","170","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C14 H37 Co P4 -","- C14 H37 Co P4 -","- C112 H296 Co8 P32 -","8","0.333333","BK1075","Stringer, G.; Taylor, N. J.; Marder, T. B.","Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]","Acta Crystallographica Section C","1996","52","1","80","82","10.1107/S0108270195010304","","","0.71073","MoKα","","","0.0349","","","0.0331","","","","","1.41","1.41","","","","","has coordinates","281832","2023-03-13","07:41:56",""
"2004352","6.132","0.005","13.956","0.018","5.507","0.009","90","","103.2","0.1","90","","458.8","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N2 O6 V2 -","- C4 H12 N2 O6 V2 -","- C8 H24 N4 O12 V4 -","2","0.5","BK1134","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate","Acta Crystallographica Section C","1996","52","1","17","19","10.1107/S010827019500850X","","","0.71069","MoKα","","","0.034","","","0.0861","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004353","18.148","0.002","10.424","0.002","12.115","0.002","90","","90.15","0.02","90","","2291.8","0.6","223","5","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3-dimethylglutaronitrile","1,5-dicyano-3,3-dimethylpentane","","- C7 H10 N2 -","- C7 H10 N2 -","- C84 H120 N24 -","12","1.5","BK1139","Héroux, A.; Brisse, F.","3,3-Dimethylglutaronitrile","Acta Crystallographica Section C","1996","52","1","224","226","10.1107/S0108270195011814","","","1.5418","CuKα","","0.0517","0.043","","0.1215","0.1168","","","","1.065","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004354","6.5104","0.0018","12.812","0.003","13.48","0.002","90","","98.09","0.02","90","","1113.2","0.4","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","4-acetoxy-3(2'3'-epoxy-2'-methylbutyroyloxy)cuauhtemone","Rel-1S,2R,4aS,2'S,3'S-1-acetoxy-2-(2',3'-epoxy-2'- methylbutyroyloxy)-7-isopropylidene-1,4a-dimethyl-6-decalone","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","BK1143","Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H.","5-<i>O</i>-Acetylcuauhtemonyl 6-<i>O</i>-2',3'-Epoxy-2'-methylbutyrate","Acta Crystallographica Section C","1996","52","1","235","237","10.1107/S0108270195013424","","","1.54178","CuKα","","","0.0666","","","0.0631","","","","","3.21","3.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004355","29.321","0.023","18.671","0.017","4.693","0.003","90","","90","","90","","2569","3","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-(3-methoxyphenyl)-4-methylthio-2-oxo-2H-1-pyran-3-carbonitrile","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C112 H88 N8 O24 S8 -","8","2","BM1028","Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W.","3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone","Acta Crystallographica Section C","1996","52","1","127","129","10.1107/S010827019500967X","","","0.71073","MoKα","","0.0831","0.0513","","0.1666","0.118","","","","1.105","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004356","6.16","0.004","16.172","0.006","17.307","0.007","90","","90","","90","","1724.1","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","BM1029","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","1","125","127","10.1107/S0108270195009917","","","0.71073","MoKα","","0.1045","0.0378","","0.0773","0.064","","","","0.657","0.895","0.895","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004357","5.392","0.002","67.18","0.08","5.374","0.003","90","","90","","90","","1947","3","288","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H76 Br N -","- C36 H76 Br N -","- C72 H152 Br2 N2 -","2","0.5","BM1031","Nyburg, S. C.","Di-<i>n</i>-octadecylammonium Bromide","Acta Crystallographica Section C","1996","52","1","192","194","10.1107/S0108270195012777","","","1.54184","CuKα","","","0.109","","","0.114","","","","","8.22","8.22","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004358","13.801","0.001","10.491","0.001","11.795","0.001","90","","105.03","0.01","90","","1649.3","0.3","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","Phenyl-(2-trimethylsilylethynyl)phenylmethanone","","- C18 H18 O Si -","- C18 H18 O Si -","- C72 H72 O4 Si4 -","4","1","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","0.71073","MoKα","","","0.056","","","0.046","","","","","1.628","1.628","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004359","7.1006","0.0005","16.88","0.002","10.1754","0.0005","90","","90","","90","","1219.6","0.18","297","","","","","","","","","","","4","I m a 2","","","","(2-trimethylsilylethynyl)-benzaldehyde","","- C12 H14 O Si -","- C12 H14 O Si -","- C48 H56 O4 Si4 -","4","0.5","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","1.54184","CuKα","","","0.032","","","0.043","","","","","2.289","2.289","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004360","9.006","0.002","9.655","0.003","12.468","0.003","97.16","0.02","97.22","0.02","97.22","0.02","1056.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Benzo[a]phenazin-5-yl)-2-acetyloxynaphthalene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","1","BM1035","McKee, V.; McCann, M.; Connaughton, N. C.; Kennedy, M. G.","1-(Benzo[<i>a</i>]phenazin-5-yl)-2-acetyloxy-naphthalene, C~28~H~18~N~2~O~2~","Acta Crystallographica Section C","1996","52","1","222","224","10.1107/S0108270195014028","","","0.71073","MoKα","","0.1268","0.0599","","0.1633","0.1273","","","","1.044","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004361","11.7739","0.0013","11.7739","0.0013","11.7739","0.0013","90","","90","","90","","1632.2","0.3","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C8 H12 Li N5 Zn -","- C8 H12 Li N5 Zn -","- C32 H48 Li4 N20 Zn4 -","4","0.0416667","BR1114","Bu, X.; Gier, T. E.; Stucky, G. D.","Tetramethylammonium Lithium Zinc Cyanide, [N(CH~3~)~4~]LiZn(CN)~4~","Acta Crystallographica Section C","1996","52","1","14","16","10.1107/S0108270195009176","","","0.7093","MolybdenumKα","","0.031","0.031","","0.033","0.033","","","","","3.05","3.05","","","","","has coordinates","198643","2020-10-21","18:00:00",""
"2004362","7.4251","0.0008","12.79","0.003","13.723","0.002","90","","90","","90","","1303.2","0.4","292","","292","","","","","","","","","6","C m c m","-C 2c 2","63","Neodymium cobalt hexacyanide tetrahydrate","Neodymium hexacyanocobaltate (III) tetrahydrate","","- C6 H8 Co N6 Nd O4 -","- C6 Co N6 Nd O4 -","- C24 Co4 N24 Nd4 O16 -","4","0.25","BR1115","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Neodymium Hexacyanocobaltate(III) Tetrahydrate","Acta Crystallographica Section C","1996","52","1","61","63","10.1107/S0108270195010316","","","0.71073","MoKα","","0.024","0.022","","0.214","0.038","","","","","1.301","1.301","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004363","13.184","0.002","9.077","0.002","17.75","0.004","90","","91.98","0.01","90","","2122.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Hexyl-N-phenyl-2-(5-ethylthioindole)carboxamide","","- C23 H28 N2 O S -","- C23 H28 N2 O S -","- C92 H112 N8 O4 S4 -","4","1","CF1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","<i>N</i>-Hexyl-<i>N</i>-phenyl-5-ethylthioindole-2-carboxamide","Acta Crystallographica Section C","1996","52","1","197","199","10.1107/S0108270195007414","","","1.54178","CuKα","","0.1866","0.0636","","0.2605","0.1629","","","","1.004","1.258","1.258","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004364","12.0031","0.001","19.527","0.003","13.953","0.002","90","","102.3","0.009","90","","3195.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[penta(phenylthio)phenyl]ethane","","- C74 H54 S10 -","- C74 H54 S10 -","- C148 H108 S20 -","2","0.5","CF1010","Henderson, R. K.; MacNicol, D. D.; Rowan, S. J.","1,2-Bis[2,3,4,5,6-pentakis(phenylthio)phenyl]ethane","Acta Crystallographica Section C","1996","52","1","210","212","10.1107/S0108270195012716","","","0.71073","MoKα","","0.2186","0.0609","","0.1877","0.1296","","","","0.998","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004365","10.6896","0.0009","11.9963","0.0009","18.399","0.002","90","","98.748","0.008","90","","2332","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cyclopentadienyl(phenylthiolato)bis(t-butylisocyanide)carbonylmolybdenum(II)","","- C22 H28 Mo N2 O S -","- C22 H28 Mo N2 O S -","- C88 H112 Mo4 N8 O4 S4 -","4","1","CF1015","McDermott, L. C.; Muir, K. W.; Pétillon, F. Y.; Poder-Guillou, S.; Schollhammer, P.","<i>cis</i>-(Benzenethiolato)bis(<i>tert</i>-butyl isocyanide)carbonyl(cyclopentadienyl)molybdenum(II), [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)]","Acta Crystallographica Section C","1996","52","1","74","77","10.1107/S0108270195009486","","","0.71073","MoKα","","0.1061","0.0522","","0.1117","0.092","","","","1.009","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004366","25.4909","0.0004","14.586","0.0012","7.4","0.002","90","","90","","90","","2751.4","0.8","150","","150","","","","","","","","","2","P n a 21","P 2c -2n","33","triphenylmethane","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","2","CF1020","Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W.","Low-Temperature Triphenylmethane","Acta Crystallographica Section C","1996","52","1","174","177","10.1107/S0108270195011164","","","0.71073","MoKα","","0.129","0.054","","","0.129","","","","0.971","0.971","0.971","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004367","9.2634","0.001","13.9834","0.0014","14.2332","0.0012","90","","90.701","0.011","90","","1843.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetracarbonylbis(tri-t-butyl phosphite)molybdenum(0)","","- C28 H54 Mo O10 P2 -","- C28 H54 Mo O10 P2 -","- C56 H108 Mo2 O20 P4 -","2","0.5","CF1022","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>trans</i>-Tetracarbonylbis(tri-<i>tert</i>-butyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1996","52","1","66","69","10.1107/S0108270195007803","","","0.7107","MoKα","","0.0607","0.0388","","0.1059","0.0992","","","","1.034","1.141","1.141","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004368","9.8502","0.0011","20.462","0.002","9.2056","0.0012","90","","90","","90","","1855.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Cyano-2-methylsparteine perchlorate","","- C17 H28 Cl N3 O4 -","- C17 H28 Cl N3 O4 -","- C68 H112 Cl4 N12 O16 -","4","1","CF1028","Kubicki, M.; Borowiak, T.; Boczoń, Wł.","2-Cyano-2-methylsparteine Perchlorate","Acta Crystallographica Section C","1996","52","1","226","228","10.1107/S0108270195011231","","","1.54178","CuKα","","0.055","0.055","","0.148","0.148","","","","1.055","1.055","1.055","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2004369","22.162","0.017","5.565","0.004","10.57","0.011","90","","109.33","0.07","90","","1230.1","1.9","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-nitro-2-furan carboxylic acid","","- C5 H3 N O5 -","- C5 H3 N O5 -","- C40 H24 N8 O40 -","8","1","CF1029","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leciejewicz, J.","5-Nitro-2-furancarboxylic Acid","Acta Crystallographica Section C","1996","52","1","188","189","10.1107/S0108270195012789","","","0.71073","MoKα","","0.0429","0.0355","","0.0958","0.0897","","","","1.05","1.071","1.071","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004370","14.341","0.005","12.451","0.007","23.866","0.013","90","","90","","90","","4262","4","293","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H72 Cl2 Cu3 N8 O5 -","- C30 H76 Cl2 Cu3 N8 O6 -","- C120 H304 Cl8 Cu12 N32 O24 -","4","0.5","CF1030","Wang, S.","Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule","Acta Crystallographica Section C","1996","52","1","41","43","10.1107/S0108270195009462","","","0.71073","MoKα","","","0.068","","","0.052","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004371","8.269","0.004","11.31","0.005","12.332","0.005","92.45","0.03","95.02","0.03","105.78","0.04","1102.9","0.9","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","catena-{1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-S,S'-mercury(II)- bis(μ-chloro)-mercury(II)dichloride}","","- C12 H24 Cl4 Hg2 O4 S2 -","- C12 H24 Cl4 Hg2 O4 S2 -","- C24 H48 Cl8 Hg4 O8 S4 -","2","1","CF1033","Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M.","<i>catena</i>-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation","Acta Crystallographica Section C","1996","52","1","21","24","10.1107/S0108270195008717","","","0.71073","MoKα","","0.0375","0.0342","","0.0933","0.0871","","","","1.109","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004372","12.525","0.003","8.49","0.002","15.697","0.006","90","","104.19","0.03","90","","1618.2","0.9","299","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","CR1175","Gi, H.-J.; Wang, T.; Zhao, K.","1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol","Acta Crystallographica Section C","1996","52","1","186","187","10.1107/S0108270195008225","","","0.71073","MoKα","","","0.057","","","0.061","","","","","5.7","5.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004373","7.0549","0.001","12.4741","0.001","14.1928","0.001","90","","90","","90","","1249","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","CR1177","Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.","The 1:1 Complex Formed by 4-Nitropyridine <i>N</i>-Oxide and 4-Aminobenzoic Acid","Acta Crystallographica Section C","1996","52","1","220","222","10.1107/S0108270195010262","","","0.71073","MoKα","","0.0665","0.0448","","0.131","0.1134","","","","1.83","1.796","1.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004374","9.302","0.0008","14.08","0.001","14.1587","0.0012","90","","90","","90","","1854.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate","","- C19 H23 N O7 S -","- C19 H23 N O7 S -","- C76 H92 N4 O28 S4 -","4","1","CR1191","Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.","A Dihydromorphine-6-<i>O</i>-sulfate","Acta Crystallographica Section C","1996","52","1","122","125","10.1107/S0108270195010250","","","0.71073","MoKα","","0.1287","0.0419","","0.1224","0.0994","","","","1.007","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004375","7.179","0.0004","7.819","0.0004","17.987","0.002","90","","92.44","0.01","90","","1008.74","0.14","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1-Bromo-2,7-dimethylnaphthalene","","- C12 H11 Br -","- C12 H11 Br -","- C48 H44 Br4 -","4","1","CR1195","Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R.","1-Bromo-2,7-dimethylnaphthalene","Acta Crystallographica Section C","1996","52","1","95","97","10.1107/S0108270195010274","","","0.71073","MoKα","","","0.058","","","0.042","","","","","1.657","1.657","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004376","17.649","0.003","16.428","0.001","18.743","0.003","90","","106.636","0.007","90","","5206.8","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bis(dimethyldithiocarbamyl)acetate","","- C20 H37 N3 O2 S4 -","- C20 H37 N3 O2 S4 -","- C160 H296 N24 O16 S32 -","8","2","DE1009","Ng, S. W.","Dicyclohexylammonium Bis(dimethyldithiocarbamyl)acetate","Acta Crystallographica Section C","1996","52","1","181","183","10.1107/S0108270195011279","","","0.71073","MoKα","","0.0764","0.0462","","0.1225","0.1055","","","","1.015","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004379","8.641","0.004","21.921","0.004","16.298","0.004","90","","97.67","0.03","90","","3059.5","1.7","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Ag2 N4 O S8 W2 -","- C12 H36 Ag2 N4 O S8 W2 -","- C48 H144 Ag8 N16 O4 S32 W8 -","4","0.5","FG1066","Huang, Q.; Wu, X.; Sheng, T.; Wang, Q.","The Polymeric Cluster Compound [(tmenH~2~).(W~2~Ag~2~S~8~).(tmen).(H~2~O)]~<i>n~</i> (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1996","52","1","29","31","10.1107/S0108270195009000","","","0.71073","MoKα","","","0.053","","","0.054","","","","","1.44","1.44","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004380","8.848","0.004","10.77","0.005","11.335","0.006","100.27","0.02","101.96","0.02","113.93","0.02","923.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl(1,10-phenanthroline)[(1,2,3-η)-2-propenyl]molybdenum Trifluoroacetate","","- C19 H13 F3 Mo N2 O4 -","- C19 H13 F3 Mo N2 O4 -","- C38 H26 F6 Mo2 N4 O8 -","2","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.0366","0.0302","","0.0744","0.0715","","","","1.042","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004381","20.191","0.009","7.009","0.003","28.944","0.017","90","","109.4","0.02","90","","3864","3","293","2","293","2","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","Dicarbonyl(1,10-phenantroline)[syn-(1,2,3-η)-2-butenyl]molybdenum Trifluoroacetate","","- C20 H15 F3 Mo N2 O4 -","- C20 H15 F3 Mo N2 O4 -","- C160 H120 F24 Mo8 N16 O32 -","8","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.1339","0.0697","","0.0905","0.0791","","","","1.034","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004382","20.275","0.006","17.006","0.004","11.038","0.004","90","","90","","90","","3806","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(dl)-Pheniramine hydrogen maleate","","","- C20 H2 N O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","FG1077","Parvez, M.; Rusiewicz, M.","<small>DL</small>-Pheniramine Hydrogen Maleate","Acta Crystallographica Section C","1996","52","1","83","85","10.1107/S010827019501047X","","","0.71069","MoKα","","","0.069","","","0.069","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004383","15.915","0.002","10.777","0.002","14.387","0.002","90","","92.681","0.012","90","","2464.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II) - Ethanol (1/2)","","- C20 H32 N6 Ni O8 -","- C20 H32 N6 Ni O8 -","- C80 H128 N24 Ni4 O32 -","4","0.5","FG1090","Werner, M.; Berner, J.; Jones, P. G.","Bis(acetato)bis(pyridine-2-amidoxime-<i>N</i>,<i>N</i>')nickel(II)‒Ethanol (1/2)","Acta Crystallographica Section C","1996","52","1","72","74","10.1107/S0108270195009413","","","0.71073","MoKα","","0.0686","0.0454","","0.1002","0.0899","","","","1.042","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004384","8.016","0.001","11.552","0.001","14.409","0.002","90","","90","","90","","1334.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","HA1110","Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.","5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate","Acta Crystallographica Section C","1996","52","1","150","152","10.1107/S0108270195003696","","","1.54184","CuKα","","","0.046","","","0.023","","","","","1.12","1.12","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004385","9.7749","0.0014","16.821","0.003","15.293","0.002","90","","99.501","0.014","90","","2480","0.7","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium-dibenzo[18]crown-6 triiodide","[(dibenzo[b,k][1,4,7,10,13,16]hexaoxa-cyclooctadeca-2,11-diene)potassium] triiodide","","- C20 H24 I3 K O6 -","- C20 H24 I3 K O6 -","- C80 H96 I12 K4 O24 -","4","1","HA1143","Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M.","Potassium Dibenzo-18-crown-6 Triiodide","Acta Crystallographica Section C","1996","52","1","24","27","10.1107/S0108270195010626","","","0.71073","MoKα","","0.0543","0.0419","","0.1159","0.1056","","","","1.046","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004386","8.446","0.003","23.76","0.08","10.454","0.002","90","","90","","90","","2098","7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","HA1147","Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.","<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact","Acta Crystallographica Section C","1996","52","1","136","139","10.1107/S0108270195011577","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004387","6.814","0.002","12.083","0.006","13.762","0.007","90","","96.15","0.03","90","","1126.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[triaqua(2-aminopyrimidine)μu-sulphato-o,o^,^-cobalt(II)] dihydrate","","- C8 H26 Co2 N6 O16 S2 -","- C8 H26 Co2 N6 O16 S2 -","- C16 H52 Co4 N12 O32 S4 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.118","0.061","","0.128","0.055","","","","4.477","2.44","2.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004388","6.426","0.003","11.027","0.006","13.68","0.01","93.11","0.06","90.64","0.06","95.06","0.04","964","1","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","catena-[Diaqua2(2-aminopyrimidine)-μ-sulphato-o,o^,^-nickel(II)] 2-aminopyrimidine","","- C12 H19 N9 Ni O6 S -","- C12 H19 N9 Ni O6 S -","- C24 H38 N18 Ni2 O12 S2 -","2","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.193","0.092","","0.105","0.069","","","","3.113","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004389","7.28","0.002","10.391","0.003","22.329","0.007","90","","90","","90","","1689.1","0.9","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Pentaaqua(2-aminopyrimidine)nickel(II)]2-aminopyrimidine","","- C8 H20 N6 Ni O9 S -","- C8 H20 N6 Ni O9 S -","- C32 H80 N24 Ni4 O36 S4 -","4","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.052","0.034","","0.049","0.036","","","","3.275","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004390","4.927","0.002","19.119","0.009","7.93","0.004","90","","94.77","0.03","90","","744.4","0.6","295","1","295","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate","","- C8 H16 Cu N6 O7 S -","- C8 H16 Cu N6 O7 S -","- C16 H32 Cu2 N12 O14 S2 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.065","0.039","","0.042","0.035","","","","1.742","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004391","7.5415","0.001","18.3253","0.0024","13.382","0.003","90","","90","","90","","1849.4","0.5","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Ge O8 -","- C16 H24 Ge O8 -","- C64 H96 Ge4 O32 -","4","0.5","HU1094","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Bis(1,2-benzenediolato)dimethanolgermanium(IV)","Acta Crystallographica Section C","1996","52","1","31","33","10.1107/S0108270195007463","","","0.7107","MoKα","","","0.035","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004392","9.84","0.002","10.379","0.004","13.804","0.003","111.5","0.02","105.4","0.02","102.12","0.02","1188.1","0.7","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 As O2 Se -","- C27 H23 As O2 Se -","- C54 H46 As2 O4 Se2 -","2","1","JZ1054","Lu, W.-M.; Huang, Z.-Z.; Huang, X.","α-Phenylselenomethoxycarbonylmethyl(triphenyl)arsorane","Acta Crystallographica Section C","1996","52","1","89","91","10.1107/S0108270195007815","","","0.71073","MoKα","","","0.048","","","0.054","","","","","1.973","1.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004393","8.988","0.006","16.861","0.004","17.737","0.002","90","","96.48","0.03","90","","2670.8","1.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,8-Dichloro-1,1,2,2-tetraphenylnaphthocyclobutene","","- C36 H24 Cl2 -","- C36 H24 Cl2 -","- C144 H96 Cl8 -","4","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0696","0.048","","0.156","0.1391","","","","0.924","0.965","0.965","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004394","11.415","0.004","14.316","0.002","18.785","0.004","85.29","0.02","79.11","0.03","82.63","0.03","2984.3","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,5,8,11-tetrachloro-9,10-dimethyl-1,1,2,2,6,6,7,7-octaphenyl- phenanthrodicyclobutene toluene solvate","","- C78.5 H58 Cl4 -","- C78.5 H54 Cl4 -","- C157 H108 Cl8 -","2","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0733","0.061","","0.1953","0.1863","","","","1.317","1.397","1.397","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004395","6.522","0.003","6.852","0.001","10.539","0.001","71.24","0.01","78.88","0.03","63.29","0.03","397.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octan-1-oxide","","- C4 H8 As O P S2 -","- C4 H8 As O P S2 -","- C8 H16 As2 O2 P2 S4 -","2","1","JZ1062","Jurkschat, K.; Schollmeyer, D.","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octane 1-Oxide","Acta Crystallographica Section C","1996","52","1","250","252","10.1107/S0108270195011449","","","0.7107","MoKα","","0.036","0.0297","","0.0826","0.0797","","","","1.12","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004396","10.26","0.007","10.819","0.005","16.266","0.009","90","","106.07","0.07","90","","1735","1.8","295","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","2","KA1119","Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.","(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~","Acta Crystallographica Section C","1996","52","1","199","201","10.1107/S010827019500905X","","","0.71069","MoKα","","","0.058","","","0.06","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004397","10.262","0.003","10.595","0.003","11.95","0.004","88.36","0.02","84.28","0.02","83.07","0.02","1283.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthroline)cyanocopper(II) Tricyanomethanide Dihydrate.","","- C29 H20 Cu N8 O2 -","- C29 H20 Cu N8 O2 -","- C58 H40 Cu2 N16 O4 -","2","1","KA1132","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate","Acta Crystallographica Section C","1996","52","1","48","50","10.1107/S0108270195008638","","","0.71069","MoKα","","0.0975","0.0438","","0.1196","0.1084","","","","0.913","1.094","1.094","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004398","16.451","0.001","9.481","0.001","16.577","0.001","90","","102.34","0.01","90","","2525.8","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl 2,3-bis(diphenylmethylene)-1,4-butanedicarboxylate or 2,3-di(methyl carboxylate)-1,1,4,4-tetraphenyl-1,3-butadiene","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","0.5","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.0616","0.0497","","0.1551","0.1436","","","","1.021","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004399","10.3","0.008","16.004","0.002","17.788","0.003","90","","92.06","0.03","90","","2930","2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-bis(diphenylmethylene)-1,4-butanedioic acid diethanol solvate or 2,3-dicarboxylic acid-1,1,4,4-tetraphenyl-1,3-butadiene diethanol solvate","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1192","0.0832","","0.2542","0.2181","","","","1.341","1.51","1.51","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004400","14.643","0.004","8.889","0.001","19.682","0.004","90","","105.22","0.02","90","","2472","0.9","295","2","295","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","2,3-dimethylbromide-1,1,4,4-tetraphenyl-1,3-butadiene","","- C30 H24 Br2 -","- C30 H24 Br2 -","- C120 H96 Br8 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1347","0.1013","","0.2372","0.2224","","","","1.316","1.522","1.522","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004401","9.267","0.002","10.344","0.003","12.149","0.002","97.29","0.02","104.51","0.02","105.49","0.02","1062.8","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N2 O14 S2 -","- C46 H46 N2 O16 S2 -","- C46 H46 N2 O16 S2 -","1","0.5","KA1145","Bien, J. T.; Shang, M.; Smith, B. D.","7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo","Acta Crystallographica Section C","1996","52","1","183","186","10.1107/S0108270195012455","","","0.71073","MoKα","","","0.05085","","","0.06747","","","","","2.256","2.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004402","32.549","0.008","6.604","0.001","14.933","0.005","90","","95.21","0.02","90","","3196.6","1.4","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cl2 Zr -","- C32 H50 Cl2 Zr -","- C128 H200 Cl8 Zr4 -","4","0.5","KH1008","Tian, J.; Li, H.; Hu, N.-H.; Huang, B.-T.","A New Zirconocene Complex, [{η^5^-C~5~H~4~-C(CH~2~)~5~(CH~2~)~2~CH(CH~3~)~2~}~2~ZrCl~2~]","Acta Crystallographica Section C","1996","52","1","19","21","10.1107/S0108270195005543","","","0.71073","MoKα","","","0.035","","","0.044","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004403","10.38","0.007","4.65","0.004","16.04","0.01","90","","92.25","0.07","90","","773.6","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","0.5","KH1043","Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T.","<i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene","Acta Crystallographica Section C","1996","52","1","172","174","10.1107/S0108270195011450","","","0.71069","MoKα","","","0.036","","","0.032","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004404","13.527","0.004","15.592","0.005","12.429","0.006","104.91","0.03","94.72","0.03","101.19","0.02","2460.7","1.7","296","","","","","","","","","","","9","P -1","-P 1","2","","","","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C88 H100 Ag2 Br4 Fe2 N2 P4 S8 W2 -","2","1","KH1045","Lin, P.; Huang, Q.; Sheng, T.; Wu, X.","The Heterotrimetallic Linear Complex Tetraethylammonium Dibromo-2κ^2^<i>Br</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine-3κ<i>P</i>)-2-iron-3-silver-1-tungsten, [Et~4~N][Br~2~FeS~2~WS~2~Ag(PPh~3~)~2~]","Acta Crystallographica Section C","1996","52","1","27","29","10.1107/S0108270195009723","","","0.71073","MoKα","","","0.044","","","0.053","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004405","9.019","0.002","9.986","0.001","11.599","0.002","65.32","0.01","71.77","0.01","71.57","0.01","880.5","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","bis[aqua-3,3'-iminobispropylamine)copper(II)] pyromellitate octahydrate","mu-(1,2,4,5-benzenetetracarboxylato)bis[aqua(1,7-diamino-4-aza- heptane)copper(II)] octahydrate","","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","1","0.5","KH1050","Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z.","A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","1","43","45","10.1107/S0108270195010444","","","0.71073","MoKα","","0.0366","0.0323","","0.0856","0.0836","","","","1.115","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004406","6.903","0.001","22.275","0.002","14.6622","0.0009","90","","95.722","0.011","90","","2243.3","0.4","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7,8,9,11,12,13,14-dodecahydro-1,6,14-trioxo- benzo[b]benzo[4,5]furo[3,2-d]oxoninium hydroxide","","- C24 H31.5 O5.43 -","- C24 H31.41 O5.41 -","- C96 H125.64 O21.64 -","4","1","LI1137","Barnes, J. C.","A Trimer from 5,5-Dimethylcyclohexan-1,3-dione Containing an O-Protonated Furan Ring","Acta Crystallographica Section C","1996","52","1","262","264","10.1107/S0108270195009279","","","0.71069","MoKα","","0.0847","0.056","","0.157","0.1328","","","","0.85","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004407","7.336","0.001","7.401","0.002","10.408","0.004","90","","93.34","0.02","90","","564.1","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Cd Cl4 N2 -","- C6 H10 Cd Cl4 N2 -","- C12 H20 Cd2 Cl8 N4 -","2","0.5","MU1132","Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.","The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)","Acta Crystallographica Section C","1996","52","1","33","35","10.1107/S0108270195007797","","","0.71069","MoKα","","","0.055","","","0.064","","","","","2.45","2.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004408","9.461","0.004","12.298","0.006","12.603","0.006","90","","98.6","0.03","90","","1449.9","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(phosphonomethyl)acrylic acid hemihydrate","2-(phosphonomethyl)acrylic acid hemihydrate","","- C4 H8 O0.5 P -","- C4 H8 O5.5 P -","- C32 H64 O44 P8 -","8","2","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0386","0.0377","","0.1053","0.1041","","","","1.087","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004409","6.324","0.003","7.71","0.003","16.444","0.006","90","","91.52","0.03","90","","801.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 2-(phosphonomethyl)acrylate","ammonium 2-(phosphonomethyl)acrylate","","- C4 H10 N O5 P -","- C4 H10 N O5 P -","- C16 H40 N4 O20 P4 -","4","1","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0696","0.038","","0.1186","0.1017","","","","1.051","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004410","15.275","0.002","9.588","0.004","17.717","0.002","90","","106.78","0.01","90","","2484.3","1.1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N Ni S8 -","- C20 H22 N Ni S8 -","- C80 H88 N4 Ni4 S32 -","4","1","MU1192","Zuo, J.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>N</i>-Methylquinolinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato)nickelate(III)","Acta Crystallographica Section C","1996","52","1","46","48","10.1107/S0108270195009838","","","0.71069","MoKα","","","0.056","","","0.068","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004411","20.96","0.013","13.809","0.013","14.503","0.008","90","","94.151","0.014","90","","4187","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mer-Bis[2,6-bis(1-phenyliminoethylpyridine)-N,N',N""]copper(II) diperchlorate","","- C42 H38 Cl2 Cu N6 O8 -","- C42 H38 Cl2 Cu N6 O8 -","- C168 H152 Cl8 Cu4 N24 O32 -","4","1","MU1197","Blake, A. J.; Lavery, A. J.; Schröder, M.","<i>mer</i>-Bis[2,6-bis(1-phenyliminoethyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","1","37","39","10.1107/S0108270195009851","","","0.71073","MoKα","","0.219","0.0943","","0.2258","0.171","","","","0.894","1.288","1.288","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004412","4.5834","0.0005","11.6598","0.0008","12.0208","0.0009","65.239","0.006","84.621","0.008","89.296","0.008","580.52","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","S-methyl β-N-(4-methoxyphenyl)methylendithiocarbazate","","- C10 H12 N2 O S2 -","- C10 H12 N2 O S2 -","- C20 H24 N4 O2 S4 -","2","1","MU1198","Fun, H.-K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Methyl 3-(4-Methoxyphenylmethylene)dithiocarbazate","Acta Crystallographica Section C","1996","52","1","87","89","10.1107/S0108270195009899","","","0.71073","MoKα","","0.0494","0.0326","","0.0869","0.0817","","","","0.925","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004413","10.888","0.001","9.381","0.001","26.597","0.003","90","","90","","90","","2716.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dibenzylthiourea.","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0537","0.0395","","0.114","0.1064","","","","1.032","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004414","12.611","0.002","11.224","0.001","10.435","0.001","90","","110.7","0.01","90","","1381.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dicyclohexyl thiourea.","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C52 H96 N8 S4 -","4","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0613","0.0367","","0.0919","0.0853","","","","0.897","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004415","31.26","0.03","7.5","0.011","15.79","0.014","90","","99.78","0.07","90","","3648","7","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-n-heptylbenzoyloxy)benzoic acid","","- C21 H24 O4 -","- C21 H23 O4 -","- C168 H184 O32 -","8","2","MU1202","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-(4-<i>n</i>-Heptylbenzoyloxy)benzoic Acid","Acta Crystallographica Section C","1996","52","1","194","197","10.1107/S0108270195009863","","","0.71073","MoKα","","0.2666","0.1078","","0.35","0.2345","","","","1.051","1.422","1.422","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004416","9.812","0.009","5.038","0.003","7.778","0.007","90","","111.95","0.09","90","","356.6","0.6","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","disodium D-3-phosphoglycerate","","- C3 H5 Na2 O7 P -","- C3 H5 Na2 O7 P -","- C6 H10 Na4 O14 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0235","0.0205","","0.0569","0.055","","","","1.077","1.067","1.067","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004417","12.427","0.005","6.556","0.003","13.085","0.005","90","","94.64","0.06","90","","1062.6","0.8","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(cyclohexylammonium) D-3-phosphoglycerate dihydrate","","- C15 H37 N2 O9 P -","- C15 H37 N2 O9 P -","- C30 H74 N4 O18 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0494","0.0295","","0.0764","0.0699","","","","","1.094","1.094","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004418","34.138","0.013","7.3857","0.0011","6.072","0.007","90","","123.04","0.03","90","","1283.4","1.6","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Didecyloxybenzene","","- C26 H46 O2 -","- C26 H46 O2 -","- C52 H92 O4 -","2","0.5","MU1205","Kooijman, H.; Spek, A. L.; Keegstra, E. M. D.; Zwikker, J. W.; Jenneskens, L. W.","Attractive Edge‒Face Arene‒Arene Interactions in Combination with Close Packing of Alkoxy Chains for 1,4-Didecyloxybenzene","Acta Crystallographica Section C","1996","52","1","85","87","10.1107/S0108270195010766","","","1.54184","CuKα","","","0.0681","","0.136","0.136","","","","1.823","1.823","1.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004419","13.224","0.002","10.058","0.001","17.423","0.002","90","","90","","90","","2317.4","0.5","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Cu N6 S2 -","- C26 H16 Cu N6 S2 -","- C104 H64 Cu4 N24 S8 -","4","0.5","MU1208","Parker, O. J.; Aubol, S. L.; Breneman, G. L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1996","52","1","39","41","10.1107/S0108270195009887","","","0.71073","MoKα","","","0.04","","","0.07","","","","","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004420","19.929","0.004","10.855","0.003","18.334","0.004","90","","117.28","0.03","90","","3525.1","1.7","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl Co N5 O4 -","- C14 H19 Cl Co N5 O4 -","- C112 H152 Cl8 Co8 N40 O32 -","8","2","NA1144","Solans, X.; Font-Bardia, M.; López, C.; Alvarez, S.","Anhydrous <i>trans</i>-(Aniline)chlorobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section C","1996","52","1","63","66","10.1107/S0108270195009644","","","0.71069","MoKα","","","0.041","","","0.095","","","","","0.936","0.936","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004421","15.51","0.01","15.178","0.005","25.66","0.03","90","","106.9","0.1","90","","5780","9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(tris{μ-2,5-bis[2-(2'-pyridyl)- ethynyl]thiophene-N,N'-dinitratocobalt(II)})","","- C54 H30 Co3 N12 O18 S3 -","- C54 H30 Co3 N12 O18 S3 -","- C216 H120 Co12 N48 O72 S12 -","4","1","NA1163","Driessen, W. L.; Neenan, T. X.","<i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~","Acta Crystallographica Section C","1996","52","1","59","61","10.1107/S0108270195008535","","","0.71073","MoKα","","0.165","0.06","","0.064","0.056","","","","1.617","2.271","2.271","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004422","3.979","0.001","10.8","0.002","18.713","0.005","90","","90.71","0.03","90","","804.1","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","NA1176","Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N.","5-Ethoxy-1,2-benzoquinone 2-Oxime","Acta Crystallographica Section C","1996","52","1","153","155","10.1107/S0108270195007141","","","1.54184","CuKα","","","0.066","","","0.057","","","","","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004423","7.524","0.002","14.819","0.003","11.763","0.002","90","","107.26","0.03","90","","1252.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 21-acetoxy-11β-hydroxy-1,4-pregnadiene-(22S)-16α,17α-orthoacetate","","- C26 H34 O8 -","- C26 H34 O8 -","- C52 H68 O16 -","2","1","NA1177","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","(22<i>S</i>)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section C","1996","52","1","212","215","10.1107/S0108270195009589","","","1.54178","CuKα","","0.0514","0.0475","","0.1355","0.132","","","","1.052","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004424","5.916","0.001","13.112","0.003","20.253","0.004","90","","90","","90","","1571","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2S)-2-(tert-butoxycarbonylamino)propylidene]benzylamine N-oxide","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NA1197","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","1","218","219","10.1107/S0108270195009358","","","0.71073","MoKα","","0.0524","0.0416","","0.1078","0.0999","","","","1.07","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004425","6.199","0.003","6.199","0.003","19.859","0.006","90","","90","","120","","660.9","0.5","293","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Dy O19 Ta7 -","- Dy0.1667 O14.8332 Ta6.1667 -","- Dy0.3334 O29.6664 Ta12.3334 -","2","0.166667","OH1087","Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Dysprosium Tantalum Oxide, DyTa~7~O~19~","Acta Crystallographica Section C","1996","52","1","5","7","10.1107/S0108270195010353","","","0.71069","MoKα","","","0.0471","","","0.0548","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004426","6.798","0.004","13.675","0.008","9.722","0.007","90","","99.72","0.04","90","","890.8","1","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","PA1165","Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.","<i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","1","201","203","10.1107/S0108270195004598","","","1.54184","CuKα","","","0.068","","","0.078","","","","","1.448","1.448","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004427","8.818","0.002","10.875","0.001","12.023","0.002","110.45","0.01","92.53","0.02","107.3","0.01","1017.2","0.3","293","","293","","","","","","","","","5","P 1","P 1","1","","7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~","","- C39 H54 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","1","1","PA1177","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)","Acta Crystallographica Section C","1996","52","1","113","116","10.1107/S0108270195007979","","","1.54178","CuKα","","","0.06","","","0.048","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004428","23.093","0.009","25.688","0.01","6.05","0.002","90","","97.16","0.04","90","","3561","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène","","- C40 H46 Br2 O2 -","- C40 H46 Br2 O2 -","- C160 H184 Br8 O8 -","4","1","PA1183","Ginderow, D.","3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène","Acta Crystallographica Section C","1996","52","1","256","259","10.1107/S0108270195008985","","","1.5418","CuKα","","0.0704","0.0517","","0.1694","0.1452","","","","1.083","1.083","1.083","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004429","12.661","0.003","16.54","0.005","9.677","0.002","90","","101.57","0.02","90","","1985.3","0.9","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.057","","","0.056","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004430","7.15","0.001","12.214","0.002","10.944","0.001","90","","101.2","0.01","90","","937.5","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F3 N O -","- C22 H22 F3 N O -","- C44 H44 F6 N2 O2 -","2","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.059","","","0.061","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004431","6.547","0.002","7.057","0.003","9.687","0.004","107.48","0.03","102.07","0.03","102.23","0.03","398.9","0.3","155","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C20 H12 O6 -","2","1","PT1002","Thomson, M. A.; Kar, M.; Anderson, O. P.; Lenz, T. G.; Vaughan, J. D.","2-Phenylmaleic Anhydride","Acta Crystallographica Section C","1996","52","1","168","169","10.1107/S0108270195009620","","","0.71073","MoKα","","","0.049","","","0.074","","","","","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004432","5.774","0.001","40.748","0.006","10.648","0.001","90","","99.053","0.009","90","","2474","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","PT1013","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","(±)-<i>trans</i>-2-Benzoylcyclohexanecarboxylic Acid. Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1996","52","1","244","246","10.1107/S0108270195010407","","","0.71073","MoKα","","","0.0531","","","0.063","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004433","20.48","0.004","10.952","0.002","12.931","0.003","90","","117.58","0.03","90","","2570.8","1.2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Br4 N6 O -","- C18 H32 Br4 N6 O -","- C72 H128 Br16 N24 O4 -","4","0.5","PT1017","Nieslanik, B.; Duesler, E. N.; Miao, L.; Jackels, S. C.; Paine, R. T.","Pyo~2~[18]diene-N~6~.4HBr.H~2~O","Acta Crystallographica Section C","1996","52","1","205","207","10.1107/S0108270195009632","","","0.71073","MoKα","","","0.0596","","","0.0582","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004434","9.375","0.005","20.676","0.005","8.866","0.005","90","","90","","90","","1718.6","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-a-D-galactopyranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0868","0.0406","","0.1239","0.1032","","","","1.026","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004435","7.275","0.002","8.945","0.002","13.486","0.002","90","","97.148","0.015","90","","870.8","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0414","0.0364","","0.1043","0.0949","","","","1.071","1.022","1.022","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004436","7.121","0.004","35.583","0.007","5.238","0.004","90","","90","","90","","1327.2","1.3","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H14 N O5 -","- C52 H56 N4 O20 -","4","1","SZ1005","Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.","<i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal","Acta Crystallographica Section C","1996","52","1","252","254","10.1107/S0108270195011255","","","1.54178","CuKα","","","0.091","","","0.095","","","","","2.44","2.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004437","9.851","0.001","10.563","0.002","12.933","0.003","90","","90","","90","","1345.8","0.4","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SZ1016","De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J.","Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde","Acta Crystallographica Section C","1996","52","1","117","118","10.1107/S0108270195010158","","","0.71073","MoKα","","","0.0452","","","0.0493","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004438","9.411","0.002","14.457","0.003","7.853","0.002","90","","105.95","0.03","90","","1027.3","0.4","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","1","SZ1021","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","<i>N</i>-Acetyliminodiacetate Dimethyl Ester","Acta Crystallographica Section C","1996","52","1","112","113","10.1107/S0108270195010225","","","0.71073","MoKα","","","0.0536","","","0.0603","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004439","9.83","0.002","9.239","0.002","19.654","0.002","90","0.01","96.11","0.01","90","0.01","1774.8","0.6","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","1-trityl-4-nitroimidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","SZ1038","Skrzypczak-Jankun, E.; Kurumbail, R. G.","1-Trityl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","1","189","191","10.1107/S0108270195010183","","","0.71073","MoKα","","0.065","0.039","","","0.054","","","","","1.8","1.8","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004440","7.3972","0.0003","9.7969","0.0006","13.3883","0.0008","95.405","0.005","96.186","0.004","91.666","0.004","959.55","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl- 10-ene-4,17-dione-1-carboxylate","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.047","0.037","","0.062","0.06","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004441","9.5791","0.0013","9.883","0.003","12.2588","0.0012","73.344","0.017","68.083","0.017","64.29","0.018","959.2","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(2E,10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl-2,10-diene- 4,17-dione-1-carboxylate.","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.091","0.073","","0.084","0.083","","","","","4.83","4.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004442","20.155","0.006","12.151","0.002","22.026","0.004","90","","99.81","0.02","90","","5315","2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl3 I4 N6 S18 Tl -","- C34 Cl4 I4 N6 S18 Tl -","- C136 Cl16 I16 N24 S72 Tl4 -","4","1","SZ1040","Geiser, U.; Schlueter, J. A.; Kini, A. M.; Achenbach, C. A.; Komosa, A. S.; Williams, J. M.","3,4-Pyrazino-3',4'-ethylenedithio-2,2',5,5'-tetrathiafulvalenium Tetraiodothallate(III) Solvate (3:1) with 1,1,2-Trichloroethane, (PEDT‒TTF)~3~TlI~4~.TCE","Acta Crystallographica Section C","1996","52","1","159","162","10.1107/S0108270195010079","","","0.7107","MoKα","","","0.07","","","0.051","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004443","11.996","0.003","13.048","0.003","25.017","0.008","98.93","0.02","90.46","0.02","114","0.02","3522.9","1.8","230","2","230","2","","","","","","","","8","P -1","-P 1","2","Holmium carbons apart carborane cluster","","","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C88 H200 B16 Cl8 Ho4 Li4 N12 Si8 -","2","1","SZ1042","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~","Acta Crystallographica Section C","1996","52","1","8","11","10.1107/S0108270195010110","","","0.71073","MoKα","","0.0592","0.0419","","0.1254","0.1042","","","","1.044","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004444","9.89","0.005","9.258","0.004","8.878","0.005","108.26","0.04","78.48","0.04","67.38","0.04","663.3","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","SZ1043","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.","5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one","Acta Crystallographica Section C","1996","52","1","94","95","10.1107/S0108270195010122","","","0.71073","MoKα","","","0.063","","","0.083","","","","","1.271","1.271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004445","16.305","0.007","10.366","0.004","6.9","0.004","90","","90","","90","","1166.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6SR,7RS,8SR)-7-methyl-8-phenyl-3-oxabicyclo[4.2.0]oct-1-en-8-ol","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54056","CuKα","","0.064","0.0429","","0.134","0.0975","","","","1.28","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004446","11.031","0.002","8.3","0.001","6.625","0.001","102.37","0.01","93.66","0.01","98.31","0.01","583.44","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,8RS)8-methylthio-3-oxatricyclo[6.4.0.0^2,7^]dodec-6-en-1-ol","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.0375","0.0322","","0.1007","0.0899","","","","1.027","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004447","18.992","0.007","10.595","0.003","11.875","0.005","90","","90","","90","","2389.5","1.5","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","(1RS,2RS,6SR,7SR,8RS)8-methyl-3-oxatricyclo[6.4.0.0^2,7^]dodeca-1,6,7-triol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.1213","0.1071","","0.2212","0.21","","","","1.244","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004448","10.798","0.003","12.1","0.003","12.359","0.003","106.24","0.02","104.27","0.03","103.54","0.02","1420.6","0.7","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","SZ1046","Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J.","A Pinacol Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1996","52","1","104","107","10.1107/S0108270195010213","","","0.71073","MoKα","","","","","","","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004449","6.982","0.001","8.106","0.006","8.389","0.001","106.75","0.04","108.51","0.04","97.3","0.03","418.4","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","3-Map","2-amino-3-methylpyridinium bromide monohydrate","","- C6 H11 Br N2 O -","- C6 H11 Br N2 O -","- C12 H22 Br2 N4 O2 -","2","1","TA1032","Coffey, T.; Robinson, W. T.; Turnbull, M. M.","2-Amino-3-methylpyridinium Bromide Monohydrate","Acta Crystallographica Section C","1996","52","1","248","250","10.1107/S0108270195011139","","","0.71073","MoKα","","0.0528","0.0428","","0.1279","0.1079","","","","0.998","1.013","1.013","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004450","6.042","0.002","13.688","0.003","10.904","0.003","90","0.02","99.13","0.03","90","0.02","890.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.1068","0.0421","","0.1683","0.1395","","","","1.08","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004451","11.207","0.002","12.195","0.001","7.3631","0.0009","90","0.01","90","0.01","90","0.01","1006.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-nitrophenyl dimethylcarbamate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.0865","0.0465","","0.165","0.1433","","","","1.106","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004452","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1017","Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2","Acta Crystallographica Section C","1996","52","1","92","94","10.1107/S0108270195007037","","","1.5418","CuKα","","","0.049","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004453","10.181","0.002","14.635","0.002","16.076","0.002","90","","90","","90","","2395.3","0.6","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","VJ1018","Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.","Tricoccin S~43~","Acta Crystallographica Section C","1996","52","1","110","112","10.1107/S0108270195001533","","","1.5418","CuKα","","","0.064","","","0.078","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004454","9.968","0.002","11.207","0.004","13.394","0.001","100.86","0.01","104.42","0.02","101.63","0.01","1373.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Terbutaline hemisulfate","5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol hemisulfate.","","- C12 H20 N O5 S0.5 -","- C12 H20 N O5 S0.5 -","- C48 H80 N4 O20 S2 -","4","2","VJ1027","Sengupta, R.; Dattagupta, J. K.","A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate","Acta Crystallographica Section C","1996","52","1","162","164","10.1107/S0108270195011395","","","1.54178","CuKα","","0.0868","0.0623","","0.2858","0.2326","","","","0.856","0.863","0.863","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004455","9.708","0.002","14.039","0.001","26.302","0.002","90","","90","","90","","3584.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Oxymetazoline hydrochloride monohydrate","3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.","","- C16 H27 Cl N2 O2 -","- C16 H27 Cl N2 O2 -","- C128 H216 Cl8 N16 O16 -","8","1","VJ1028","Sengupta, R.; Dattagupta, J. K.","An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","1","164","166","10.1107/S0108270195011401","","","1.54178","CuKα","","0.0828","0.0793","","0.223","0.2193","","","","1.105","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004456","14.452","0.003","13.089","0.003","17.558","0.003","90","","96.01","0.03","90","","3303.1","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","4","AB1224","Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.","<i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell","Acta Crystallographica Section C","1996","52","2","458","460","10.1107/S0108270195011863","","","0.71073","MoKα","","","0.052","","","0.061","","","","","2.14","2.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004457","10.22","0.001","10.22","","20.973","0.002","90","","90","","90","","2190.6","0.3","294.2","","294.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H28 Cl2 N2 O14 Pt -","- C10 H28 Cl2 N2 O14 Pt -","- C40 H112 Cl8 N8 O56 Pt4 -","4","0.5","AB1271","Whalen, J. T.; Chang, S.-C.; Norman, R. E.","Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6)","Acta Crystallographica Section C","1996","52","2","297","300","10.1107/S0108270195009243","","","0.7107","MoKα","","","0.0416","","","0.0527","","","","","1.989","1.989","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004458","13.847","0.002","12.2","0.001","15.981","0.002","90","","105.72","0.01","90","","2598.7","0.6","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Mn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Mn(II) cis-dipyridine adduct","","- C26 H22 Mn N4 O6 -","- C26 H22 Mn N4 O6 -","- C104 H88 Mn4 N16 O24 -","4","0.5","AB1273","Hicke, S.; Mueller, T. E.; Falvello, L. R.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II)","Acta Crystallographica Section C","1996","52","2","307","309","10.1107/S0108270195008304","","","0.71073","MoKα","","0.1301","0.0582","","0.1185","0.104","","","","1.054","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004459","6.795","0.005","6.929","0.005","7.457","0.004","91.96","0.05","102.13","0.05","118.82","0.06","297","0.4","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","1","0.5","AB1276","Anson, C. E.; Al-Jowder, O.; Jayasooriya, U. A.; Powell, A. K.","Dirubidium Tetrachlorodioxouranium(VI)‒Water (1:2)","Acta Crystallographica Section C","1996","52","2","279","281","10.1107/S0108270195011723","","","0.71069","MoKα","","","0.051","","","0.0507","","","","","2.79","2.79","","","","","has coordinates","189249","2020-10-21","18:00:00",""
"2004460","4.944","0.002","13.005","0.002","20.234","0.003","85.07","0.01","89.71","0.02","79.45","0.02","1274.2","0.6","122","2","122","2","","","","","","","","4","P -1","-P 1","2","N-acetyl-N,O-di(propylcarbamoyl)hydroxylamine","N-[(propylamino)carbonyl]-N-{[(propylamino)carbonyl]oxy}-acetamide.","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","2","AB1290","B. B. Nielsen; K. Frydenvang; I. K. Larsen","The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide","Acta Crystallographica Section C","1996","52","2","387","390","10.1107/S0108270195012236","","","0.71073","MoKα","","0.0826","0.0698","","0.1958","0.1755","","","","1.046","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004461","7.519","0.004","14.202","0.003","7.885","0.003","90","","109.26","0.04","90","","794.9","0.6","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-4-methoxy-2-methylthiopyrimidine","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","AB1323","Low, J. N.; Ferguson, G.; Godino, M. L.; Cobo, J.; Lopez, R.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Amino-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","2","418","420","10.1107/S010827019501448X","","","0.7107","MolybdenumKα","","0.0872","0.0636","","0.1636","0.1533","","","","1.003","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004462","12.748","0.002","20.265","0.003","8.562","0.002","90","","90.38","0.01","90","","2211.8","0.7","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H48 N10 Na4 O31 P4 -","- C20 H48 N10 Na4 O31 P4 -","- C40 H96 N20 Na8 O62 P8 -","2","1","AS1187","Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H.","Tetrasodium <i>P</i>^1^,<i>P</i>^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate","Acta Crystallographica Section C","1996","52","2","338","340","10.1107/S0108270195010419","","","1.54184","CuKα","","","0.036","","","0.054","","","","","1.28","1.28","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004463","7.679","0.002","5.891","0.001","14.8","0.003","90","","91.28","0.03","90","","669.3","0.2","298","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0397","","","0.0473","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004464","11.2","0.01","7.627","0.007","17.56","0.01","90","","90","","90","","1500","2","298","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0354","","","0.0437","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004465","10.322","0.003","14.909","0.001","9.8059","0.0008","90","","109.48","0.01","90","","1422.7","0.4","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","AS1204","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 106, C~18~H~19~NO~2~","Acta Crystallographica Section C","1996","52","2","364","365","10.1107/S0108270195010845","","","1.54184","CuKα","","","0.051","","","0.066","","","","","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004466","7.686","0.003","7.242","0.001","9.924","0.001","90","","98.31","0.02","90","","546.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C20 H24 Br2 N2 O6 -","2","1","AS1213","Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.","The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine","Acta Crystallographica Section C","1996","52","2","407","409","10.1107/S0108270195013060","","","0.7107","MoKα","","0.0446","0.0434","","0.1139","0.1132","","","","0.909","0.932","0.932","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004467","12.266","0.001","11.879","0.001","10.412","0.002","90","","93.76","0.01","90","","1513.8","0.3","297","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C19 H20 N O4 -","- C76 H80 N4 O16 -","4","1","AS1214","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","An Orange Form of Coumarin 314","Acta Crystallographica Section C","1996","52","2","395","397","10.1107/S010827019501239X","","","1.54184","CuKα","","","0.055","","","0.089","","","","","4.29","4.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004468","10.04","0.01","9.572","0.004","10.68","0.005","90","","98.16","0.06","90","","1016","1.2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.031","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004469","9.975","0.005","9.695","0.005","10.145","0.009","90","","97.92","0.06","90","","971.7","1.1","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.036","","","","","1.87","1.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004470","10.631","0.002","10.84","0.002","11.08","0.002","90","","92.31","0.02","90","","1275.8","0.4","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Ir N O S -","- C13 H12 Ir N O S -","- C52 H48 Ir4 N4 O4 S4 -","4","1","BK1135","Theron, M.; Purcell, W.; Basson, S. S.","(η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I)","Acta Crystallographica Section C","1996","52","2","336","338","10.1107/S0108270195008729","","","0.71073","MoKα","","","0.038","","","0.038","","","","","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004471","13.463","0.003","13.463","0.003","9.864","0.004","90","","90","","90","","1787.9","0.9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","Chloro-(5,10,15,20-Tetraphenylporphinato)manganese(III)","","- C44 H28 Cl Mn N4 -","- C44 H28 Cl Mn N4 -","- C88 H56 Cl2 Mn2 N8 -","2","0.125","BK1136","Cheng, B.; Scheidt, W. R.","Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/<i>m</i> Symmetry","Acta Crystallographica Section C","1996","52","2","361","363","10.1107/S0108270195009371","","","0.71073","MoKα","","0.0713","0.0546","","0.1466","0.1293","","","","1.101","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004472","13.59","0.002","5.003","0.002","17.627","0.002","90","","108.26","0.01","90","","1138.1","0.5","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F N O3 -","- C14 H10 F N O3 -","- C56 H40 F4 N4 O12 -","4","1","BK1161","Ojala, W. H.; Clemons, J. E.; Ojala, C. R.","2-(2-Fluorobenzoylamino)benzoic Acid","Acta Crystallographica Section C","1996","52","2","484","485","10.1107/S0108270195010560","","","1.54178","CuKα","","","0.034","","","0.037","","","","","2.12","2.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004473","15.379","0.001","19.324","0.001","3.915","0.001","90","","90","","90","","1163.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylquinoline-4-carboxylic acid","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","BK1182","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","2-Phenylquinoline-4-carboxylic Acid","Acta Crystallographica Section C","1996","52","2","409","411","10.1107/S0108270195013217","","","0.71073","MoKα","","","0.034","","","0.04","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004474","40.302","0.004","40.302","0.004","40.302","0.004","90","","90","","90","","65461","11","130","2","130","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","none","[{μu~3~-gold(triphenylphosphine)}tris{μu-bis(diphenylphosphino)methane}- triplatinum] hexafluorphosphate/tetrafluroborate (0.75:0.25)","","- C93 H81 Au B0.25 F5.5 P7.75 Pt3 -","- C93 H81 Au B0.25 F5.51 P7.75 Pt3 -","- C2976 H2592 Au32 B8 F176.32 P248 Pt96 -","32","0.333333","BM1016","Muir, K. W.; Manojlovic-Muir, L.; Fullard, J.","The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~","Acta Crystallographica Section C","1996","52","2","295","297","10.1107/S0108270195007852","","","0.71073","MoKα","","0","0.0499","","0","0.1256","","","","0","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004475","9.53","0.01","8.31","0.01","12.39","0.01","90","","90","","90","","981.2","1.8","286","","288","","","","","","","","","5","C m c 21","C 2c -2","36","","trimethylammonium trichlorostannate(IV)","","- C3 H10 Cl3 N Sn -","- C3 H10 Cl3 N Sn -","- C12 H40 Cl12 N4 Sn4 -","4","0.5","BM1018","Halfpenny, J.","Trimethylammonium Trichlorostannate(II)","Acta Crystallographica Section C","1996","52","2","340","342","10.1107/S0108270195009668","","","0.71073","MoKα","","","0.031","","","0.031","","","","","0.906","0.906","","","","","has coordinates","198514","2020-10-21","18:00:00",""
"2004476","10.55","0.02","12.26","0.02","9.76","0.02","113.1","0.1","99.1","0.2","99","0.2","1113","4","295","1","295","1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N4 O2.5 -","- C11 H11 N4 O2.5 -","- C44 H44 N16 O10 -","4","2","BM1021","Capparelli, M. V.; Charris, J. E.; Domínguez, J. N.","5-(<i>p</i>-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O","Acta Crystallographica Section C","1996","52","2","447","449","10.1107/S0108270195009206","","","0.71069","MoKα","","","0.0388","","","0.0389","","","","","1.574","1.574","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004477","8.433","0.002","12.987","0.006","7.743","0.003","98.92","0.04","98.9","0.03","105.53","0.03","789.8","0.6","296","","296","","","","","","","","","3","P -1","-P 1","2","C1TET-TTF","bis(methylthio)ethylenedithiotetrathiafulvalene","","- C10 H10 S8 -","- C10 H10 S8 -","- C20 H20 S16 -","2","1","BM1022","Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S.","Bis(methylthio)ethylenedithiotetrathiafulvalene","Acta Crystallographica Section C","1996","52","2","400","403","10.1107/S0108270195012832","","","0.71069","MolybdenumKα","","","0.06","","","0.081","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004478","15.273","0.005","9.931","0.007","19.1975","0.0015","90","","97.933","0.012","90","","2884","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","","- C28 H35 N3 S2 Sn -","- C28 H35 N3 S2 Sn -","- C112 H140 N12 S8 Sn4 -","4","0.5","BM1025","Cox, P. J.; Wardell, J. L.","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","Acta Crystallographica Section C","1996","52","2","317","319","10.1107/S0108270195009437","","","0.71069","MoKα","","0.0521","0.0466","","0.1109","0.1093","","","","1.032","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004479","10.269","0.004","19.958","0.003","15.066","0.003","90","","103.8","0.02","90","","2998.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N'-methylenedipyridinium cis-difluorotetrachloroosmate(IV)","","- C22 H24 Cl8 F4 N4 Os2 -","- C11 H12 Cl4 F2 N2 Os -","- C88 H96 Cl32 F16 N16 Os8 -","8","2","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0467","0.029","","0.0756","0.0642","","","","1.182","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004480","7.7562","0.0005","10.0127","0.0008","11.0057","0.0009","89.649","0.007","70.346","0.006","75.112","0.006","774.86","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'-methylenedipyridinium trans-difluorotetrachloroosmate(IV)","","- C11 H12 Cl4 F2 N2 Os -","- C11 H12 Cl4 F2 N2 Os -","- C22 H24 Cl8 F4 N4 Os2 -","2","1","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0231","0.0148","","0.0389","0.0343","","","","1.132","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004481","28.103","0.004","18.37","0.003","23.755","0.006","90","","123.58","0.01","90","","10217","4","293","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C63 H56 Cl3 O4.5 S -","- C63 H55 Cl3 O4.5 S -","- C504 H440 Cl24 O36 S8 -","8","1","BR1035","Parvez, M.","A 5,18:9,14-Di-<i>o</i>-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-<i>b</i>:1',2'-<i>b</i>']dianthracene Derivative","Acta Crystallographica Section C","1996","52","2","444","447","10.1107/S0108270195009607","","","0.71069","MoKα","","","0.098","","","0.112","","","","","3.42","3.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004482","7.9268","0.0004","7.9268","0.0004","9.1025","0.0005","90","","90","","90","","571.95","0.05","298","","","","","","","","","","Synthetic","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H4 O8 Sn6 -","- O8 Sn6 -","- O16 Sn12 -","2","0.25","BR1120","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) Oxyhydroxide by X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","2","286","288","10.1107/S0108270195012625","","","1.54184","CuKα","","","0.0332","","","0.0436","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004483","9.004","0.001","9","0.001","12.963","0.002","85.25","0.01","85.55","0.01","82.45","0.01","1035.4","0.2","113","2","","","","","","","","","","3","P -1","-P 1","2","","","","- Cl10 Re6 Te4 -","- Cl10 Re6 Te4 -","- Cl20 Re12 Te8 -","2","1","BR1121","Mironov, Y. V.; Cody, J. A.; Ibers, J. A.","Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III)","Acta Crystallographica Section C","1996","52","2","281","283","10.1107/S0108270195013205","","","1.54056","CuKα~1~","","","0.0479","","","0.112","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004484","16.373","0.004","10.4066","0.0006","17.629","0.005","90","","90.101","0.014","90","","3003.8","1.1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachlorotriphenyltin.3,4,7,8-tetramethyl-1,10-phenanthroline","","- C34 H33 Cl N2 O Sn -","- C34 H33 Cl N2 O Sn -","- C136 H132 Cl4 N8 O4 Sn4 -","4","1","CF1017","Ng, S. W.","A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline","Acta Crystallographica Section C","1996","52","2","354","356","10.1107/S0108270195009498","","","0.71073","MoKα","","0.048","0.0319","","0.0814","0.073","","","","1.002","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004485","10.2784","0.0014","10.5411","0.0014","17.794","0.003","90","","101.332","0.011","90","","1890.3","0.5","294","1","294","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris(4-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","2","CF1052","Ferguson, G.; Glidewell, C.; Patterson, I. L. J.","Tris(4-methoxyphenyl)methanol","Acta Crystallographica Section C","1996","52","2","420","423","10.1107/S0108270195013990","","","0.7107","MoKα","","0.0869","0.0407","","0.0979","0.0872","","","","0.927","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004486","7.7383","0.0017","15.098","0.002","22.515","0.005","90","","90","","90","","2630.5","0.9","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Na O6 -","- C27 H46 Na O6 -","- C108 H184 Na4 O24 -","4","1","CR1178","Wahle, M. C.; Stowell, J. G.; Byrn, S. R.","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","2","325","328","10.1107/S0108270195009152","","","1.54184","CuKα","","","0.047","","","0.109","","","","","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004487","22.076","0.003","8.722","0.001","6.552","0.001","90","","90","","90","","1261.6","0.3","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","C12 H7 Br Cl2 N2 O1","N-(4-bromophenyl)-5,6-dichloronicotinamide","","- C12 H7 Br Cl2 N2 O -","- C12 H7 Br Cl2 N2 O -","- C48 H28 Br4 Cl8 N8 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.157","0.049","","0.176","0.112","","","","0.731","0.951","0.951","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004488","7.995","0.002","12.483","0.002","11.32","0.002","90","","108.37","0.01","90","","1072.2","0.4","298","","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-pyridyl)-6-chloro-5-fluoronicotinamide","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C44 H28 Cl4 F4 N12 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.0512","0.0398","","0.0671","0.0588","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004489","8.052","0.002","9.627","0.003","10.017","0.003","72.38","0.02","73.2","0.02","88.54","0.02","706.8","0.4","301","","301","","","","","","","","","3","P -1","-P 1","2","","dimethyl 2,2,6,6-tetramethyl-4-oxa-3,5-dioxoheptanedioate","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","CR1201","Graham, J. E.; Bunce, R. A.; Holt, E. M.","Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4-oxaheptanedioate","Acta Crystallographica Section C","1996","52","2","436","438","10.1107/S0108270195012066","","","0.71073","MoKα","","0.0579","0.0406","","0.0602","0.0516","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004490","23.593","0.001","7.0418","0.0004","14.8968","0.0006","90","","117.422","0.004","90","","2196.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate","","- C12 H24 N4 O14 P4 -","- C12 H24 N4 O14 P4 -","- C48 H96 N16 O56 P16 -","4","0.5","DU1114","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Tétraphosphate Dihydrate","Acta Crystallographica Section C","1996","52","2","432","433","10.1107/S010827019500309X","","","0.71069","MoKα","","0.0477","0.0404","","0.1072","0.1027","","","","1.134","1.171","1.171","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004491","15.204","0.002","6.1593","0.0005","5.3998","0.0004","90","","105.401","0.009","90","","487.51","0.09","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","potassium manganese(II) hydroxy-vanadate","","- H2 K2 Mn3 O10 V2 -","- H2 K2 Mn3 O10 V2 -","- H4 K4 Mn6 O20 V4 -","2","0.25","DU1128","Liao, J.-H.; Guyomard, D.; Piffard, Y.; Tournoux, M.","K~2~Mn~3~(OH)~2~(VO~4~)~2~, a New Two-Dimensional Potassium Manganese(II) Hydroxyvanadate","Acta Crystallographica Section C","1996","52","2","284","286","10.1107/S0108270195010559","","","0.71073","MoKα","","0.052","0.04","","0.048","0.046","","","","1.82","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004492","8.1678","0.0009","9.226","0.001","8.6395","0.0008","90","","109.678","0.008","90","","613.02","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","potassium manganese(II) polyvanadate","","- K2 Mn O12 V4 -","- K2 Mn O12 V4 -","- K4 Mn2 O24 V8 -","2","0.5","DU1131","Liao, J.-H.; Sigala, C.; Guyomard, D.; Piffard, Y.","K~2~Mn(VO~3~)~4~, a New Three-Dimensional Potassium Manganese(II) Polyvanadate","Acta Crystallographica Section C","1996","52","2","283","284","10.1107/S0108270195012509","","","0.71073","MoKα","","0.054","0.037","","0.039","0.034","","","","1.13","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004493","4.461","0.001","7.044","0.001","7.346","0.001","80.75","0.01","73.85","0.01","81.78","0.01","217.66","0.07","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","Diphosphorus Tetraiodide","","- I4 P2 -","- I4 P2 -","- I4 P2 -","1","0.5","DU1134","Žák, Z.; Černík, M.","Diphosphorus Tetraiodide at 120K","Acta Crystallographica Section C","1996","52","2","290","291","10.1107/S0108270195012510","","","0.71073","MoKα","","0.0348","0.0316","","0.1045","0.0915","","","","1.212","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004494","14.13","0.003","13.071","0.006","14.831","0.003","90","","90.33","0.02","90","","2739.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa(paraphénolammonium) cyclo-Hexaphosphate Octahydrate","","- C36 H64 N6 O32 P6 -","- C36 H64 N6 O32 P6 -","- C72 H128 N12 O64 P12 -","2","0.5","DU1139","Soumhi, E. H.; Jouini, T.","Hexa(<i>para</i>-phénolammonium) <i>cyclo</i>-Hexaphosphate Octahydrate","Acta Crystallographica Section C","1996","52","2","434","436","10.1107/S0108270195011528","","","0.71069","MoKα","","0.0593","0.0358","","0.1114","0.0808","","","","1.231","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004495","5.992","0.001","23.577","0.009","6.563","0.002","90","","104.35","0.02","90","","898.2","0.5","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au Cl N6 P2 -","- C12 H24 Au Cl2 N6 P2 -","- C24 H48 Au2 Cl4 N12 P4 -","2","0.5","FG1043","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis(1,3,5-triaza-7-phosphaadamantane-<i>P</i>)gold(I) Chloride","Acta Crystallographica Section C","1996","52","2","305","307","10.1107/S0108270195008183","","","0.71073","MoKα","","","0.0585","","","0.1103","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004496","8.027","0.001","12.368","0.001","12.017","0.001","90","","102.55","0.01","90","","1164.5","0.2","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cd N6 S2 -","- C16 H36 Cd N6 S2 -","- C32 H72 Cd2 N12 S4 -","2","0.5","FG1048","Pariya, C.; Chaudhuri, N. R.; Seth, S.; Das, A.","Bis(<i>N</i>^1^-isopropyl-2-methylpropane-1,2-diamine)diisothiocyanatocadmium(II)","Acta Crystallographica Section C","1996","52","2","358","360","10.1107/S0108270195008195","","","1.5418","CuKα","","","0.05","","","0.059","","","","","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004497","10.856","0.003","15.051","0.002","10.407","0.002","97.3","0.02","103.21","0.02","96.04","0.02","1626.1","0.6","220","","220","","","","","","","","","7","P -1","-P 1","2","(±)-cis-dichloro{(isopropylamino)([1,1'-binaphthyl]-2,2'-dioxy)-phosphane} (triethylphosphine)platinum (II)","","","- C30 H37 Cl4 N O2 P2 Pt -","- C30 H37 Cl4 N O2 P2 Pt -","- C60 H74 Cl8 N2 O4 P4 Pt2 -","2","1","FG1071","Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S.","(±)-<i>cis</i>-Dichloro[<i>P</i>-(isopropylamino)dinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","333","336","10.1107/S010827019500922X","","","0.71069","MoKα","","","0.039","","","0.037","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004498","10.332","0.002","7.69","0.003","15.406","0.002","90","","92.77","0.01","90","","1222.6","0.6","295","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Tetraphenylphosphonium tri-iodide","","","- C24 H20 I3 P -","- C24 H20 I3 P -","- C48 H40 I6 P2 -","2","0.5","FG1087","Parvez, M.; Wang, M.; Boorman, P. M.","Tetraphenylphosphonium Triiodide","Acta Crystallographica Section C","1996","52","2","377","378","10.1107/S0108270195010456","","","0.71069","MoKα","","","0.023","","","0.022","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004499","9.506","0.001","4.725","0.001","19.166","0.008","90","","91.79","0.01","90","","860.4","0.4","296","2","296","","","","","","","","","5","P 1 21 1","P 2yb","4","iodoindomethacin","1-(4-iodobenzoyl)-5-methoxy-2-methylindole-3-acetic acid","","- C19 H16 I N O4 -","- C19 H16 I N O4 -","- C38 H32 I2 N2 O8 -","2","1","FG1089","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog","Acta Crystallographica Section C","1996","52","2","455","457","10.1107/S0108270195010468","","","0.71073","MoKα","","0.0482","0.0335","","0.0813","0.0786","","","","1.003","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004500","6.855","0.002","7.606","0.002","13.587","0.003","75.01","0.02","87.88","0.02","70.56","0.02","644.4","0.3","295","1.5","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N2 S6 -","- C10 H4 N2 S6 -","- C20 H8 N4 S12 -","2","1","HU1079","Zhong, Z. J.; You, X.-Z.; Yu, K.","4,5-Dicyano-4',5'-ethylenedithiotetrathiafulvalene (CNET): a New Unsymmetrical TTF Derivative","Acta Crystallographica Section C","1996","52","2","449","451","10.1107/S0108270195009942","","","0.71073","MoKα","","","0.0367","","","0.035","","","","","1.433","1.433","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004501","5.189","0.001","5.886","0.001","16.223","0.003","90","","91.06","0.03","90","","495.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-furancarboxylic acid","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0342","0.0342","","0.092","0.092","","","","1.118","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004502","7.108","0.001","29.295","0.006","6.565","0.001","90","","91.88","0.03","90","","1366.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)calcium 3-furancarboxylate)","","- C10 H12 Ca O9 -","- C10 H12 Ca O9 -","- C40 H48 Ca4 O36 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0458","0.0454","","0.1316","0.1243","","","","1.063","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004503","7.286","0.0001","28.853","0.006","6.797","0.0001","90","","91.82","0.03","90","","1428.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)strontium 3-furancarboxylate)","","- C10 H12 O9 Sr -","- C10 H12 O10 Sr -","- C40 H48 O40 Sr4 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0559","0.0544","","0.1416","0.1366","","","","0.992","0.994","0.994","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004504","21.604","0.008","8.788","0.004","22.082","0.01","90","","91.45","0.03","90","","4191","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(bismethanol)(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) perchlorate","","- C40 H60 Cl Fe N4 O8 -","- C40 H56 Cl Fe N4 O8 -","- C160 H224 Cl4 Fe4 N16 O32 -","4","0.5","JZ1038","Senge, M. O.","Bis(methanol-<i>O</i>)(2,3,7,8,12,13,17,18-octaethylporphyrinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH","Acta Crystallographica Section C","1996","52","2","302","305","10.1107/S0108270195006068","","","0.71073","MoKα","","0.1118","0.0672","","0.1798","0.1501","","","","1.035","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004505","18.262","0.004","12.956","0.007","26.52","0.02","90","","90.4","0.03","90","","6275","6","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H6 Ca O6 -","- C10 H6 Ca O6 -","- C240 H144 Ca24 O144 -","24","6","JZ1058","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate","Acta Crystallographica Section C","1996","52","2","347","351","10.1107/S0108270195009553","","","1.54183","CuKα","","0.2021","0.0548","","0.1483","0.1156","","","","0.93","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004506","13.113","0.003","13.315","0.003","7.405","0.002","90","","90","","91.39","0.03","1292.5","0.5","299","2","299","2","","","","","","","","5","P 1 1 2/n","-P 2ab","13","","Tetraphenylphosphonium-pentachlorostannat","","- C24 H20 Cl5 P Sn -","- C24 H20 Cl5 P Sn -","- C48 H40 Cl10 P2 Sn2 -","2","0.5","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0753","0.0496","","0.1905","0.1437","","","","0.141","0.123","0.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004507","13.173","0.001","13.173","0.001","7.59","0.001","90","","90","","90","","1317.1","0.2","299","2","299","2","","","","","","","","6","P 4/n","-P 4a","","","Tetraphenylphosphonium-pentachlorostannat-monohydrat","","- C24 H22 Cl5 O P Sn -","- C24 H22 Cl5 O P Sn -","- C48 H44 Cl10 O2 P2 Sn2 -","2","","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0928","0.0405","","0.1504","0.1201","","","","0.993","0.98","0.98","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2004508","9.502","0.002","11.252","0.002","11.602","0.002","102.98","0.02","113.68","0.02","106.92","0.02","1000.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-dichlorobis(tris(pentafluorophenyl)phosphane)palladium(II)","","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","1","0.5","JZ1069","Bertsch-Frank, B.; Frank, W.","<i>trans</i>-Dichlorobis[tris(pentafluorophenyl)phosphane]palladium(II)","Acta Crystallographica Section C","1996","52","2","328","330","10.1107/S0108270195011061","","","0.71069","MoKα","","0.0961","0.0516","","0.0727","0.0656","","","","1.239","1.402","1.402","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004509","8.708","0.002","9.047","0.002","12.961","0.003","72.4","0.03","84.61","0.03","77.36","0.03","949.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Mo O7 W -","- C18 H16 Mo O7 W -","- C36 H32 Mo2 O14 W2 -","2","1","JZ1070","Frank, W.; Kreiter, C. G.; Reiß, G. J.","Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten","Acta Crystallographica Section C","1996","52","2","356","358","10.1107/S0108270195009577","","","0.71069","MoKα","","0.0322","0.024","","0.0495","0.0483","","","","1.625","1.678","1.678","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004510","10.134","0.001","18.154","0.001","8.518","0.001","90","","103.44","0.01","90","","1524.2","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","JZ1075","Pietz, S.; Haufe, G.; Fröhlich, R.; Grehl, M.","<i>syn</i>-1,5-Dimethylbicyclo[3.2.1]oct-8-yl <i>N</i>-Phenylcarbamate","Acta Crystallographica Section C","1996","52","2","469","470","10.1107/S0108270195011796","","","1.54178","CuKα","","0.045","0.038","","0.103","0.096","","","","","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004511","11.314","0.0006","10.872","0.001","14.74","0.002","90","0.009","90.369","0.007","90","0.006","1813.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Methylenedipyridinium 1-Iodo-nonahydro-closo-decaborate","","- C11 H21 B10 I N2 -","- C11 H21 B10 I N2 -","- C44 H84 B40 I4 N8 -","4","1","JZ1085","Nachtigal, C.; Preetz, W.","Dipyridiniomethane 1-Iodo-<i>closo</i>-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~]","Acta Crystallographica Section C","1996","52","2","453","455","10.1107/S0108270195012340","","","0.71069","MoKα","","0.0805","0.035","","0.0992","0.0736","","","","1.189","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004512","8.815","0.002","10.154","0.002","17.277","0.004","76.49","0.02","87.98","0.02","74.55","0.02","1448.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(dimethylglyoximato-N,N')(triphenylphosphine)(isopropyl)rhodium(III)","","- C29 H35 N4 O4 P Rh -","- C29 H29 N4 O4 P Rh -","- C58 H58 N8 O8 P2 Rh2 -","2","1","KA1124","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(isopropyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1996","52","2","315","317","10.1107/S0108270195007475","","","0.71069","MoKα","","0.0582","0.0469","","0.1322","0.1256","","","","1.023","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004513","9.463","0.005","42.025","0.004","9.089","0.004","90","","90","","90","","3615","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O7 -","- C17 H23 N O7 -","- C136 H184 N8 O56 -","8","2","KA1127","Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M.","Conformational Analysis of (<i>S</i>,<i>S</i>)-Dimethyldiketopyridino-18-crown-6","Acta Crystallographica Section C","1996","52","2","463","466","10.1107/S0108270195011346","","","1.5418","CuKα","","0.1589","0.0574","","0.3983","0.1682","","","","1.155","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004514","27.7","0.003","7.63","0.004","12.382","0.001","90","","90","","90","","2616.9","1.4","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","KA1129","Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K.","7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one","Acta Crystallographica Section C","1996","52","2","405","407","10.1107/S0108270195011334","","","1.54184","CuKα","","","0.047","","","0.1182","","","","","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004515","12.068","0.001","13.137","0.001","15.374","0.001","66.76","0.01","89.16","0.01","68.82","0.01","2064.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-1H,4H-Tetrahydro-8-trifluoromethylquinolizino[9,9a,1-gh]coumarin","","- C16 H14 F3 N O2 -","- C16 H14 F3 N O2 -","- C96 H84 F18 N6 O12 -","6","3","KH1030","Yip, B.-C.; Moo, F.-M.; Lok, K.-S.; Fun, H.-K.; Sivakumar, K.","A Second Triclinic Polymorph of Coumarin 153","Acta Crystallographica Section C","1996","52","2","477","481","10.1107/S0108270195011668","","","0.71073","MoKα","","0.0688","0.0419","","0.1332","0.1224","","","","0.934","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004516","9.163","0.001","8.37","0.001","21.786","0.003","90","","96.95","0.02","90","","1658.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","KH1052","Ravikumar, K.; Mohan, K. C.; Roy, S.; Singh, A. K.","A Key Intermediate in the Synthesis of Pentamidine: 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzonitrile","Acta Crystallographica Section C","1996","52","2","403","405","10.1107/S0108270195011966","","","0.71073","MoKα","","","0.043","","","0.049","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004517","12.681","0.007","7.261","0.004","16.654","0.009","90","","93.65","0.02","90","","1530.3","1.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-2-(1-indenyl)ethyl-toluenesulfonamide","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","KH1057","Gainsford, G. J.; Lensink, C.","<i>N</i>-[2-(1-3<i>H</i>-Indenyl)ethyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","2","472","474","10.1107/S0108270195013011","","","0.71073","MoKα","","0.0731","0.0454","","0.1053","0.0925","","","","1.044","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004518","36.71","0.04","5.754","0.007","11.22","0.02","90","","99.85","0.07","90","","2335","6","150","1","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H21 F3 O9 S -","- C22 H21 F3 O9 S -","- C88 H84 F12 O36 S4 -","4","1","LI1139","Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S.","Methyl 3-<i>O</i>-Benzoyl-4,6-<i>O</i>-benzylidene-2-<i>O</i>-trifluoromethylsulfonyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","1996","52","2","416","418","10.1107/S0108270195012339","","","0.71073","MoKα","","0.1675","0.053","","0.168","0.0875","","","","0.61","0.912","0.912","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004519","12.847","0.002","15.196","0.003","20.57","0.004","94.61","0.02","90.07","0.02","114.53","0.02","3638.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 Cr2 N2 O10 P4 -","- C82 H60 Cr2 N2 O10 P4 -","- C164 H120 Cr4 N4 O20 P8 -","2","1","MU1169","Lee, I.; Geib, S. J.; Cooper, N. J.","[PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion","Acta Crystallographica Section C","1996","52","2","292","294","10.1107/S0108270195001454","","","0.71073","MoKα","","0.0813","0.039","","0.2229","0.0783","","","","0.765","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004520","13.818","0.001","13.818","0.001","27.285","0.003","90","","90","","90","","5209.7","0.8","295","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H38 Cl2 O12 Pb -","- C57 H36 Cl2 O12 Pb -","- C228 H144 Cl8 O48 Pb4 -","4","0.25","MU1180","Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C.","Tetrakis(<i>o</i>-benzoylbenzoato-<i>O</i>,<i>O</i>')lead(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","351","354","10.1107/S0108270195007785","","","0.71073","MoKα","","","0.0447","","","0.0464","","","","","1.21","1.21","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004521","7.92","0.002","12.929","0.003","12.177","0.002","90","","94.86","0.03","90","","1242.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium hexanitroruthenate(II) monohydrate","sodium hexanitroruthenate(II) monohydrate","","- H2 N6 Na4 O13 Ru -","- H2 N6 Na4 O13 Ru -","- H8 N24 Na16 O52 Ru4 -","4","0.5","MU1193","Gromilov, S. A.; Alekseev, V. I.; Emelyanov, V. A.; Baidina, I. A.","Sodium Hexanitroruthenate(II) Monohydrate","Acta Crystallographica Section C","1996","52","2","288","290","10.1107/S0108270195012042","","","0.71069","MoKα","","0.0208","0.0179","","0.0437","0.0433","","","","0.897","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004522","8.42","0.002","14.796","0.002","19.504","0.0001","90","","96.22","0.01","90","","2415.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium Bis(1,3-dithiol-2-thione/selone-4,5-dithioate) Nickel (II)","","- C38 H72 N2 Ni S9.34 Se0.66 -","- C38 H72 N2 Ni S9.348 Se0.652 -","- C76 H144 N4 Ni2 S18.696 Se1.304 -","2","0.5","MU1199","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; Yao, T.-M.; You, X.-Z.","A 2:1 Mixture of Tetrabutylammonium Bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate(II) and its 2-Selenone Analogue","Acta Crystallographica Section C","1996","52","2","312","315","10.1107/S0108270195010754","","","0.71073","MoKα","","0.0448","0.0335","","0.0969","0.0921","","","","1.07","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004523","7.58","0.001","7.912","0.001","17.423","0.003","90","","90","","90","","1044.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethyl-3-tolyl thiourea.","","- C10 H14 N2 S -","- C10 H14 N2 S -","- C40 H56 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.066","0.0402","","0.0919","0.0849","","","","0.887","1.016","1.016","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004524","8.436","0.001","8.488","0.001","17.419","0.003","90","","90","","90","","1247.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Diethyl-3-tolyl thiourea.","","- C12 H18 N2 S -","- C12 H18 N2 S -","- C48 H72 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.032","0.0291","","0.0792","0.0774","","","","1.048","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004525","20.66","0.002","7.706","0.001","29.217","0.004","90","","90","","90","","4651.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","MU1215","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","Acta Crystallographica Section C","1996","52","2","414","416","10.1107/S0108270195012054","","","0.71073","MoKα","","0.0824","0.047","","0.2237","0.1343","","","","0.935","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004526","10.069","0.003","14.545","0.002","16.784","0.002","90","","90.59","0.02","90","","2457.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylditiocarbamato)iodo-4-methoxyphenyltellurium(IV)","","- C17 H27 I N2 O S4 Te -","- C17 H27 I N2 O S4 Te -","- C68 H108 I4 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0498","0.0321","","0.0878","0.0836","","","","1.055","1.132","1.132","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004527","10.06","0.001","14.363","0.002","16.705","0.004","90","","90.63","0.01","90","","2413.6","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(0.41Bromo/0.59Iodo)bis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C68 H108 Br1.64 I2.36 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0824","0.0435","","0.1337","0.0973","","","","1.097","1.212","1.212","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004528","9.156","0.005","13.324","0.002","17.564","0.002","90","","90.96","0.03","90","","2142.4","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromobis(dimethyldithiocarbamato)-4-methoxyphenyltellurium(IV) dichloromethane hemisolvate","","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C53.8 H79.6 Br4 Cl3.6 N8 O4 S16 Te4 -","4","1","NA1149","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bromobis(dimethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Dichloromethane Hemisolvate, <i>p</i>-MeOC~6~H~4~Te(Me~2~NCS~2~)~2~Br.0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","2","429","432","10.1107/S0108270195004914","","","0.71069","MoKα","","0.0848","0.0368","","0.0958","0.0775","","","","1.144","1.329","1.329","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004529","8.381","0.003","14.495","0.003","10.351","0.003","90","","105.35","0.02","90","","1212.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.035","","","0.031","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004530","11.1558","0.0008","11.574","0.001","9.68","0.002","90","","90","","90","","1249.9","0.3","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.04","","","0.034","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004531","8.467","0.001","5.526","0.001","35.792","0.007","90","","90.29","0.01","90","","1674.6","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate","","- C37 H44 O5 -","- C37 H44 O5 -","- C74 H88 O10 -","2","1","PA1193","Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.","A Chiral Mesogenic Compound","Acta Crystallographica Section C","1996","52","2","441","444","10.1107/S0108270195008584","","","1.54178","CopperKα","","","0.064","","","0.074","","","","","","","","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2004532","11.6395","0.0009","5.9814","0.0006","13.6907","0.0009","90","","94.462","0.014","90","","950.26","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylaminium (S)-2-(6-methoxy-2-naphthyl)propionate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","PA1198","Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J.","Absolute Configuration of (<i>R</i>)-1-Phenylethylammonium (<i>S</i>)-2-(6-Methoxy-2-naphthyl)propionate","Acta Crystallographica Section C","1996","52","2","393","395","10.1107/S0108270195011954","","","1.5418","CuKα","","0.0564","0.0376","","0.0946","0.0879","","","","0.944","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004533","11.9739","0.0012","10.2088","0.0011","14.662","0.002","90","","113.836","0.007","90","","1639.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine","","- C17 H18 Cl N5 -","- C17 H18 Cl N5 -","- C68 H72 Cl4 N20 -","4","1","PA1200","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","8-Chloro-5-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","2","391","393","10.1107/S0108270195011942","","","1.5418","CuKα","","0.0647","0.0425","","0.1313","0.1072","","","","0.965","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004534","14.542","0.002","16.565","0.0002","19.334","0.002","90","","90","","90","","4657.3","0.8","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 O10 -","- C52 H50 O10 -","- C208 H200 O40 -","4","1","PT1015","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.","2,3,4,5-Tetra-<i>O</i>-acetyl-1,6-di-<i>O</i>-(triphenylmethyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1996","52","2","381","383","10.1107/S0108270195013618","","","1.54184","CuKα","","","0.034","","","0.046","","","","","2.273","2.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004535","12.438","0.006","4.726","0.003","16.703","0.006","90","","92.5","0.02","90","","980.9","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromacetyl salicylic acid","2-bromoacetoxy-benzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","PT1028","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","2-Bromoacetoxybenzoic Acid, a Brominated Aspirin Analog","Acta Crystallographica Section C","1996","52","2","375","377","10.1107/S0108270195010390","","","0.71073","MoKα","","0.057","0.0413","","0.1114","0.1047","","","","0.961","1.117","1.117","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004536","5.222","0.002","8.389","0.002","4.759","0.001","93.04","0.03","102.59","0.02","92.57","0.02","202.84","0.1","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","1","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.1051","0.0463","","0.1346","0.1017","","","","1.168","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004537","4.896","0.002","6.55","0.003","9.737","0.004","90","","90.8","0.04","90","","312.2","0.2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C10 H16 N4 O6 -","2","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.0462","0.03","","0.0877","0.0798","","","","1.093","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004538","8.678","0.007","16.19","0.01","11.53","0.01","90","","99","0.01","90","","1600","2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isoxazolidines","trans-phenyl(2-phenyl-1,6-dioxa-2-azaspiro[4.4]non-3-yl)methanone","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.163","0.046","","0.091","0.051","","","","1.71","1.457","1.457","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004539","10.181","0.004","28.9","0.01","10.071","0.002","90","","90","","90","","2963.2","1.7","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isoxazolidines","(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.162","0.048","","0.111","0.059","","","","1.779","1.337","1.337","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004540","13.66","0.003","8.94","0.002","23.207","0.007","90","","100.14","0.02","90","","2789.8","1.2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Cl Ir N O P2 -","- C23 H46 Cl Ir N O P2 -","- C92 H184 Cl4 Ir4 N4 O4 P8 -","4","1","SZ1010","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chlorohydrido[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","2","300","302","10.1107/S0108270195003507","","","0.71073","MoKα","","","0.0356","","","0.0472","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004541","15.899","0.001","12.272","0.002","10.618","0.001","90","","90","","90","","2071.7","0.4","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H29 N O2 -","- C24 H34 N O2 -","- C96 H136 N4 O8 -","4","0.5","SZ1019","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1996","52","2","481","483","10.1107/S0108270195010171","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004542","12.165","0.009","12.598","0.011","8.962","0.005","90","","94.84","0.05","90","","1368.6","1.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl I N O4 -","- C12 H9 Cl I N O4 -","- C48 H36 Cl4 I4 N4 O16 -","4","1","SZ1024","Kerrigan, J. E.; Powers, J. C.; VanDerveer, D.","4-Chloro-7-(iodoacetyl)amino-3-methoxyisocoumarin","Acta Crystallographica Section C","1996","52","2","451","453","10.1107/S0108270195010080","","","0.71073","MoKα","","","0.05","","","0.052","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004543","6.872","0.001","9.96","0.002","12.782","0.002","91.72","0.01","92.14","0.01","94.31","0.01","871.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Chloro(ethylenediamine)[6-phenylimidazo[2,1-b]thiazole]platinum(II) nitrate","","- C13 H16 Cl N5 O3 Pt S -","- C13 H16 Cl N5 O3 Pt S -","- C26 H32 Cl2 N10 O6 Pt2 S2 -","2","1","SZ1032","Arvanitis, G. M.; Griffitts, A. E.; Baffic, S. P.; Ho, D. M.","Chloro(ethylenediamine)(6-phenylimidazo[2,1-<i>b</i>]thiazole-<i>N</i>^7^)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","2","319","321","10.1107/S0108270195010067","","","0.71073","MoKα","","0.0292","0.023","","0.0522","0.0502","","","","1.059","1.077","1.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004544","12.3228","0.0013","13.0782","0.0006","11.6694","0.0012","98.505","0.006","105.878","0.008","106.988","0.006","1676.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxybenzemethanamine 2-[(2,3-di(p-tolyl)-5-methyl-1H-inden-1-ylidene) (p-tolyl)-methyl]-N,N,-dimethyl.","","- C42 H41 N O -","- C42 H41 N O -","- C84 H82 N2 O2 -","2","1","SZ1037","Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M.","Dimethyl(2-{[2,3-di(<i>p</i>-tolyl)-5-methyl-1-indenylidene](<i>p</i>-tolyl)methyl}-5-methoxyphenylmethyl)amine","Acta Crystallographica Section C","1996","52","2","460","462","10.1107/S0108270195010146","","","1.54178","CuKα","","0.0902","0.0652","","0.2186","0.1704","","","","1.106","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004545","9.691","0.002","9.691","0.002","24.841","0.006","90","","90","","120","","2020.4","0.8","140","2","140","2","","","","","","","","3","P 32 2 1","P 32 2""","154","1,4-benzoquinonebis(1,2-diphenylethyleneketal)","1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene","","- C34 H28 O4 -","- C34 H28 O4 -","- C102 H84 O12 -","3","0.5","SZ1047","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.","2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene","Acta Crystallographica Section C","1996","52","2","379","381","10.1107/S0108270195012327","","","0.71069","MoKα","","0.0442","0.0309","","0.0629","0.061","","","","0.892","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004546","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N6 O3 -","- C22 H20 N6 O3 -","- C44 H40 N12 O6 -","2","1","TA1026","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","A 1:1 Molecular Complex of 1,5-Diphenylbiuret and Phenyl Carbamidonitrile","Acta Crystallographica Section C","1996","52","2","470","472","10.1107/S0108270195010900","","","0.71073","MoKα","","","0.0578","","","0.0637","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004547","18.472","0.004","13.207","0.002","13.592","0.002","90","","107.87","0.01","90","","3155.9","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl3 Cr N7 O12 -","- C24 H27 Cl3 Cr N7 O12 -","- C96 H108 Cl12 Cr4 N28 O48 -","4","1","TA1028","McLachlan, G. A.; Fallon, G. D.; Spiccia, L.","[Cr{tren(impy)~3~}](ClO~4~)~3~, where tren(impy)~3~ = N[CH~2~CH~2~N= C(H)(py)]~3~","Acta Crystallographica Section C","1996","52","2","309","312","10.1107/S0108270195008870","","","0.71073","MoKα","","","0.056","","","0.074","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004548","14.109","0.001","14.109","0.001","26.697","0.005","90","","90","","120","","4602.4","1","293","1","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H45 N5 O3 -","- C33 H45 N5 O3 -","- C198 H270 N30 O18 -","6","0.333333","TA1031","de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H.","1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine","Acta Crystallographica Section C","1996","52","2","466","468","10.1107/S0108270195011127","","","0.71073","MoKα","","0.0468","0.0353","","0.0974","0.0916","","","","1.036","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004549","7.906","0.004","14.687","0.003","32.908","0.002","90","","92.05","0.02","90","","3819","2","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C160 H176 Br8 N8 O40 -","8","2","TA1039","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","An <i>ABC</i>-ring Analogue of Paclitaxel (Taxol^TM^)","Acta Crystallographica Section C","1996","52","2","370","372","10.1107/S0108270195010869","","","1.5418","CuKα","","0.0571","0.041","","0.0433","0.041","","","","","2.23","2.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004550","6.178","0.002","12.083","0.001","12.492","0.002","90","","91.73","0.02","90","","932.1","0.3","213.2","","213","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","TA1041","Banwell, M. G.; Hockless, D. C. R.; Walter, J. M.","4a-Phenylperhydro-1,4-dioxacyclopropa[<i>cd</i>]pentalene","Acta Crystallographica Section C","1996","52","2","368","369","10.1107/S0108270195010882","","","1.5418","CuKα","","","0.038","","","0.035","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004551","4.8061","0.001","13.262","0.004","14.195","0.004","90","","90","","90","","904.8","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Aza-9(10H)-acridone","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","TA1053","Clark, G. R.; Squire, C. J.","4-Aza-9(10<i>H</i>)-acridone","Acta Crystallographica Section C","1996","52","2","366","368","10.1107/S0108270195011589","","","0.71069","MoKα","","0.135","0.073","","0.2109","0.1637","","","","1.108","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004552","8.587","0.001","10.39","0.001","19.707","0.003","81","0.01","86.96","0.01","69.11","0.01","1622.4","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Sodium tetraphenylcyclopentadienylate bis(dimethoxyethane)","","- C37 H41 Na O4 -","- C37 H41 Na O4 -","- C74 H82 Na2 O8 -","2","1","AB1228","Näther, C.; Hauck, T.; Bock, H.","Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane)","Acta Crystallographica Section C","1996","52","3","570","572","10.1107/S0108270195010687","","","0.71073","MoKα","","0.0875","0.0522","","0.1532","0.13","","","","1.015","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004553","21.839","0.009","8.995","0.005","11.823","0.005","90","","95.91","0.04","90","","2310.2","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 Co N2 O2 -","- C26 H18 Br2 Co N2 O2 -","- C104 H72 Br8 Co4 N8 O8 -","4","0.5","AB1229","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","<i>trans</i>-Bis[<i>N</i>-(4-bromophenyl)salicylaldiminato]cobalt(II)","Acta Crystallographica Section C","1996","52","3","553","554","10.1107/S0108270195011875","","","0.71069","MoKα","","0.0566","0.0334","","0.0924","0.0783","","","","1.057","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004554","15.1058","0.0006","7.5393","0.0002","6.6094","0.0003","90","","106.2","0.003","90","","722.84","0.05","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Li2 O7 -","- C5 H4 Li2 O7 -","- C20 H16 Li8 O28 -","4","0.5","AB1272","Gonçalves, N. S.; Santos, P. S.; Vencato, I.","Lithium Croconate Dihydrate","Acta Crystallographica Section C","1996","52","3","622","624","10.1107/S0108270195011887","","","0.71073","Mo","","0.0517","0.0472","","","0.0513","","","","","0.884","0.884","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004555","13.479","0.005","10.197","0.003","13.954","0.005","90","","115.06","0.02","90","","1737.4","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H21 Cd N7 Ni O -","- C11 H21 Cd N6 Ni On2 -","- C44 H84 Cd4 N24 Ni4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0379","","","0.0529","","","","","1.359","1.359","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004556","9.247","0.002","13.434","0.006","16.367","0.003","90","","105.6","0.02","90","","1958.3","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Cd N7 Ni O2 -","- C12 H25 Cd N6 Ni O On2 -","- C48 H100 Cd4 N24 Ni4 O4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0431","","","0.0443","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004557","9.001","0.001","10.321","0.001","25.121","0.002","90","","94.85","0.01","90","","2325.4","0.4","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Dicyclopropyl-2-(1',2',3'-triphenylcyclopropen-3-yl)-propane-1,3-dione","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","AB1296","Kopf, J.; Bretzke, C.; Domnin, I. N.; Plotkin, V. N.","1,3-Dicyclopropyl-2-(1,2,3-triphenylcyclopropen-3-yl)propane-1,3-dione: a Substituted Cyclopropene with a β-Dicarbonyl Fragment","Acta Crystallographica Section C","1996","52","3","722","724","10.1107/S0108270195012959","","","1.54178","CuKα","","0.0504","0.0482","","0.142","0.1397","","","","1.049","1.07","1.07","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004558","10.882","0.001","10.367","0.001","15.778","0.001","90","","99.39","0.01","90","","1756.1","0.3","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-(2,2-Dimethyl-1,3-propanedioyl)-5,5,5',5'-tetramethyl- bis-(1H-pyrrole)-2,2'(5H,5'H)-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","AB1302","Kopf, J.; Wrobel, M. N.; Margaretha, P.","1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1-pyrrolyl)-2,2-dimethyl-1,3-propanedione","Acta Crystallographica Section C","1996","52","3","672","674","10.1107/S0108270195012960","","","1.54178","CuKα","","0.0456","0.0437","","0.1334","0.1297","","","","1.115","1.121","1.121","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004559","7.381","0.001","32.096","0.002","7.884","0.001","90","","94.94","0.11","90","","1860.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","","","heroin","7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","2","AB1311","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","A Diacetylmorphine Polymorph","Acta Crystallographica Section C","1996","52","3","698","700","10.1107/S0108270195013503","","","1.54178","CuKα","","0.0595","0.0481","","0.1384","0.1262","","","","1.006","1.011","1.011","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004560","9.1029","0.0014","11.395","0.002","17.49","0.002","90","","104.953","0.01","90","","1752.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(trifluoromethyl)triphenylphosphinegold(I)","","- C19 H15 Au F3 P -","- C19 H15 Au F3 P -","- C76 H60 Au4 F12 P4 -","4","1","AB1330","Flörke, U.; Haupt, H.-J.; Jones, P. G.","Trifluoromethyl(triphenylphosphine)gold(I)","Acta Crystallographica Section C","1996","52","3","609","611","10.1107/S0108270195014880","","","0.71073","MoKα","","0.0317","0.0227","","0.0514","0.0496","","","","0.924","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004561","9.843","0.002","13.153","0.005","18.517","0.006","87.33","0.04","78.26","0.02","84.45","0.02","2335.3","1.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Tris(triphenylsilyl)arsenite","Tris(triphenylsilyl)arsenite","","- C54 H45 As O3 Si3 -","- C54 H45 As O3 Si3 -","- C108 H90 As2 O6 Si6 -","2","1","AB1333","Ferguson, G.; Pollock, J. W.; O'Leary, B.; Spalding, T. R.","Tris(triphenylsilanolato)arsenite(III)","Acta Crystallographica Section C","1996","52","3","619","622","10.1107/S0108270195015629","","","0.7107","MolybdenumKα","","0.0572","0.0386","","0.1133","0.1072","","","","1.087","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004562","9.53","0.003","10.268","0.002","13.235","0.003","70.34","0.02","86.15","0.02","84.81","0.02","1213.7","0.5","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","5,5-bis(dimethylphenylphosphine)-arachno-4,6-dithia-5-palladanonaborane","","- C16 H30 B6 P2 Pd S2 -","- C16 H30 B6 P2 Pd S2 -","- C32 H60 B12 P4 Pd2 S4 -","2","1","AB1335","Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D.","5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-<i>arachno</i>-nonaborane","Acta Crystallographica Section C","1996","52","3","548","550","10.1107/S0108270195015952","","","0.7107","MolybdenumKα","","0.071","0.038","","0.0913","0.0837","","","","1","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004563","11.478","0.003","13.027","0.003","17.55","0.004","90","","101.29","0.02","90","","2573.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(triethylamine) Octamolybdate(VI) dihydrate","","- C24 H68 Mo8 N4 O28 -","- C24 H68 Mo8 N4 O28 -","- C48 H136 Mo16 N8 O56 -","2","0.5","AS1175","Fun, H.-K.; Yip, B.-C.; Niu, J.-Y.; You, X.-Z.","Tetrakis(triethylammonium) Octamolybdate(VI) Dihydrate","Acta Crystallographica Section C","1996","52","3","506","509","10.1107/S0108270195011747","","","0.71073","MoKα","","0.0364","0.0337","","0.0938","0.0925","","","","1.174","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004564","15.223","0.006","9.321","0.003","18.792","0.006","90","","104.77","0.02","90","","2578.4","1.6","260","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Co N4 S3 -","- C23 H32 Co N4 S3 -","- C92 H128 Co4 N16 S12 -","4","1","AS1185","Yu, P.; Zhuang, B.; Huang, L.; Pan, B.","Tetraethylammonium Tris(pyridine-2-thiolato-<i>S</i>,<i>N</i>)cobalt(II), (Et~4~N)[Co(2-S-C~5~H~4~N)~3~]","Acta Crystallographica Section C","1996","52","3","630","632","10.1107/S0108270195010596","","","0.71069","MoKα","","","0.038","","","0.054","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004565","10.0284","0.001","15.7731","0.0013","15.6012","0.0015","114.715","0.008","102.418","0.014","78.189","0.009","2170.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","ap-8-chrolo-1,4-dimetyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","2","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.0639","0.0608","","0.2107","0.2034","","","","1.075","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004566","23.803","0.003","8.4646","0.001","11.083","0.002","90","","98.13","0.04","90","","2210.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","sc^*^(9S^*^)-8-chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","1","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.1001","0.089","","0.2291","0.219","","","","1.109","1.143","1.143","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004567","10.733","0.001","17.017","0.002","7.683","0.0001","90","","97.49","0.01","90","","1391.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocinium tetrachloroantimonate.","","- C10 H10 Cl4 Fe Sb -","- C10 H10 Cl4 Fe Sb -","- C40 H40 Cl16 Fe4 Sb4 -","4","1","AS1201","Yamin, B. M.; Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Shawkataly, O. B.","Ferrocenium Tetrachloroantimonate","Acta Crystallographica Section C","1996","52","3","600","602","10.1107/S0108270195010948","","","0.71073","MoKα","","0.0259","0.0248","","0.0624","0.0618","","","","1.094","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004568","7.055","0.003","19.118","0.005","15.568","0.005","90","","98.32","0.04","90","","2077.7","1.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H50 N6 O8 -","- C44 H50 N6 O8 -","- C88 H100 N12 O16 -","2","1","AS1202","Miyake, H.; Yamashita, T.; Hirotsu, K.; Kojima, Y.","A Cyclic Hexa-Pseudopeptide Constructed from <i>N</i>,<i>N</i>'-Ethylene-Bridged (<i>S</i>)-Phenylalanyl-(<i>S</i>)-Phenylalanine and Glycine","Acta Crystallographica Section C","1996","52","3","681","684","10.1107/S0108270195011905","","","0.7107","MoKα","","","0.047","","","0.059","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004569","7.046","0.001","7.9939","0.0009","9.1","0.003","106.81","0.02","89","0.03","114.74","0.01","442.45","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Br Cd N O3 -","- C6 H6 Br Cd N O3 -","- C12 H12 Br2 Cd2 N2 O6 -","2","1","AS1203","Zhang, C.; Xu, D.; Xu, Y.; Huang, X.","The Polymeric Cadmium Complex Poly[μ-(nicotinato-<i>O</i>,<i>O</i>':<i>N</i>)-μ-bromo-monoaquacadmium]","Acta Crystallographica Section C","1996","52","3","591","593","10.1107/S0108270195011917","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004570","13.1844","0.0009","6.2358","0.0007","17.562","0.002","90","","107.719","0.006","90","","1375.4","0.2","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl trans-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","AS1205","Gable, R. W.; Qureshi, A.; Schiesser, C. H.","Methyl <i>trans</i>-9,10-Dihydro-9,10-ethanoanthracene-11-carboxylate","Acta Crystallographica Section C","1996","52","3","674","675","10.1107/S0108270195010985","","","1.5418","CuKα(nickelfiltered)","","0.0463","0.0359","","0.0958","0.0877","","","","1.024","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004571","12.163","0.001","11.359","0.001","10.309","0.002","90","","113.58","0.01","90","","1305.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3-phenyl thiourea","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","AS1207","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Srinivasan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-phenylthiourea","Acta Crystallographica Section C","1996","52","3","656","658","10.1107/S0108270195014065","","","0.71073","MoKα","","0.0601","0.0442","","0.1273","0.1201","","","","1.021","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004572","13.9887","0.0009","23.444","0.001","7.8082","0.0006","90","","90","","90","","2560.7","0.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","AS1210","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 343, C~16~H~15~NO~4~","Acta Crystallographica Section C","1996","52","3","679","681","10.1107/S0108270195012820","","","1.54184","CuKα","","","0.044","","","0.058","","","","","2.56","2.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004573","38.4","0.05","11","0.05","9.6","0.05","90","","97","0.1","90","","4025","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","AS1211","Hamodrakas, S. J.; Perrakis, A.; Antoniadou-Vyzas, E.","A <i>de novo</i> Designed Possible 5-Lipoxygenase Inhibitor: α-Acetoxy-<i>N</i>-[1-(1-tricyclo[3.3.1.1^3,7^]dec-1-yl)ethyl]benzeneacetamide","Acta Crystallographica Section C","1996","52","3","677","679","10.1107/S0108270195013084","","","0.92","Monochromatic","","0.0682","0.0442","","0.277","0.105","","","","0.938","0.947","0.947","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004574","32.686","0.004","4.094","0.005","10.257","0.007","90","","95.08","0.03","90","","1367.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C31 H35 N O5 -","- C31 H35 N O5 -","- C62 H70 N2 O10 -","2","1","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.1154","0.0692","","0.872","0.1937","","","","1.052","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004575","9.577","0.002","34.681","0.006","9.562","0.003","97.43","0.02","108.28","0.02","83.74","0.02","2982.4","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Butyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C33 H39 N O5 -","- C33 H34 N O5 -","- C132 H136 N4 O20 -","4","2","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.104","0.0725","","0.5923","0.2223","","","","1.066","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004576","7.71","0.005","12.354","0.002","10.92","0.002","90","","106.92","0.02","90","","995.1","0.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O5 -","- C10 H9 N O5 -","- C40 H36 N4 O20 -","4","1","AS1218","Okabe, N.; Miura, J.; Shimosaki, A.","Xanthurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","3","663","665","10.1107/S0108270195013072","","","0.71069","MoKα","","","0.072","","","0.087","","","","","2.64","2.64","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004577","12.723","0.004","13.429","0.002","8.737","0.007","103.54","0.03","99.02","0.05","92.72","0.04","1427.8","1.3","296","","296","","","","","","","","","5","P -1","-P 1","2","hexaazatriphenylenehexacarboxamide solvate","","","- C22 H25 N12 O8.5 S2 -","- C22 H25 N12 O8.5 S2 -","- C44 H50 N24 O17 S4 -","2","1","BK1108","Beeson, J. C.; Czarnik, A. W.; Fitzgerald, L. J.; Gerkin, R. E.","Hexaazatriphenylenehexacarboxamide Solvate Exhibiting π-Complexation in the Solid State","Acta Crystallographica Section C","1996","52","3","724","729","10.1107/S0108270195011036","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.68","1.68","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004578","18.326","0.004","16.953","0.003","13.516","0.003","90","","111.25","0.03","90","","3913.7","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')copper(II) pentahydrate","","- C14 H20 Cu N4 O10 -","- C14 H20 Cu N4 O10 -","- C112 H160 Cu8 N32 O80 -","8","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1518","0.0481","","0.1468","0.1055","","","","1.039","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004579","12.942","0.003","12.942","0.003","29.326","0.006","90","","90","","120","","4253.9","1.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","bis(4,4'-dimethyl-2,2'-bipyridine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')- nickel(II) monohydrate","","- C30 H28 N4 Ni O5 -","- C30 H27 N4 Ni O5 -","- C180 H162 N24 Ni6 O30 -","6","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1479","0.0521","","0.1812","0.1259","","","","1.233","1.215","1.215","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004580","6.879","0.002","8.215","0.002","11.961","0.002","90","","93.3","0.2","90","","674.8","0.3","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 B N4 O5 -","- C10 H17 B N4 O5 -","- C20 H34 B2 N8 O10 -","2","1","BK1157","Singh, P.; Zottola, M.; Huang, S.; Shaw, B. R.; Pedersen, L. G.","2'-Deoxycytidine-N(3)-cyanoborane Monohydrate","Acta Crystallographica Section C","1996","52","3","693","696","10.1107/S0108270195013412","","","0.71073","MoKα","","","0.0456","","","0.0511","","","","","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004581","12.8859","0.0004","12.9276","0.001","13.5328","0.0007","64.067","0.009","87.82","0.006","67.207","0.006","1845.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethanol-(2,3,7,8,12,13,17,18-Octaethylporphinato)manganese(III) Perchlorate","","- C38 H50 Cl Mn N4 O5 -","- C38 H46 Cl Mn N4 O5 -","- C76 H92 Cl2 Mn2 N8 O10 -","2","1","BK1159","Cheng, B.; Scheidt, W. R.","(Ethanol)(2,3,7,8,12,13,17,18-octaethylporphinato)manganese(III) Perchlorate","Acta Crystallographica Section C","1996","52","3","585","588","10.1107/S0108270195010705","","","0.71073","MoKα","","0.0856","0.0672","","0.1905","0.1767","","","","1.053","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004582","14.487","0.005","14.978","0.006","15.081","0.005","118.45","0.03","110.79","0.03","86.76","0.03","2664","2","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Br4 Cu4 N4 O12 -","- C44 H56 Br5 Cu4 N4 O12 -","- C88 H112 Br10 Cu8 N8 O24 -","2","1","BM1020","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Tetrakis[μ-(3-bromobenzoato)-μ-(2-dimethylaminoethanolato)-copper(II)]","Acta Crystallographica Section C","1996","52","3","568","570","10.1107/S0108270195012406","","","0.71069","MoKα","","","0.054","","","0.0647","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004583","3.614","0.001","31.543","0.002","6.75","0.001","90","","93.05","0.01","90","","768.4","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(p-nitrosalicylato)disilver(I)]","","- C14 H8 Ag2 N2 O10 -","- C14 H8 Ag2 N2 O10 -","- C28 H16 Ag4 N4 O20 -","2","0.5","BM1026","Tahir, M. N.; Ülkü, D.; Muvsumov, E. M.","Poly[bis(<i>p</i>-nitrosalicylato-<i>O</i>:<i>O</i>')disilver(I)-<i>O</i>^3^:<i>Ag</i>';<i>Ag</i>:<i>O</i>^3'^]","Acta Crystallographica Section C","1996","52","3","593","595","10.1107/S010827019501314X","","","0.71073","MoKα","","0.1657","0.054","","","0.065","","","","","0.7","0.7","","","","","has coordinates","278313","2022-10-03","10:12:56",""
"2004584","11.371","0.001","15.433","0.001","17.954","0.001","90","","104.738","0.006","90","","3047.1","0.4","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylaluminium diphenylphosphinate","","- C28 H32 Al2 O4 P2 -","- C28 H32 Al2 O4 P2 -","- C112 H128 Al8 O16 P8 -","4","0.5","BM1033","Corker, J. M.; Browning, D. J.; Webster, M.","Bis(μ-diphenylphosphinato-<i>O</i>:<i>O</i>')bis(dimethylaluminium)","Acta Crystallographica Section C","1996","52","3","583","585","10.1107/S0108270195013266","","","1.54178","CuKα","","","0.062","","","0.089","","","","","2.25","2.25","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004585","9.627","0.008","10.584","0.007","17.084","0.009","90","","93.15","0.06","90","","1738","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione","","- C17 H10 O2 S5 -","- C17 H10 O2 S5 -","- C68 H40 O8 S20 -","4","1","BM1041","Cox, P. J.; Doidge-Harrison, S. M. S. V.","Redetermination of 4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione at 120 K","Acta Crystallographica Section C","1996","52","3","720","722","10.1107/S0108270195015162","","","0.71069","MoKα","","0.089","0.0434","","0.0921","0.0855","","","","0.71","0.932","0.932","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004586","9.48","0.003","9.4","0.003","7.399","0.002","90","","112.22","0.03","90","","610.4","0.3","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) hydrogenselenite selenite","Mercury(II) bis(hydrogenselenite) bis(selenite)","","- H2 Hg3 O12 Se4 -","- Hg3 O12 Se4 -","- Hg6 O24 Se8 -","2","0.5","BR1108","Koskenlinna, M.; Valkonen, J.","Mercury(II) Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","3","491","493","10.1107/S0108270195012480","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.037","1.037","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004587","10.848","0.001","10.848","0.001","10.848","0.001","90","","90","","90","","1276.6","0.2","292","","292","","","","","","","","","6","F m -3 m","-F 4 2 3","225","Cadmium iridium hexacyanide dodecahydrate","Cadmium hexacyanoiridate (III) dodecahydrate","","- C12 H24 Cd3 Ir2 N12 O12 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","1","0.00520833","BR1126","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Cadmium Hexacyanoiridate(III) Dodecahydrate","Acta Crystallographica Section C","1996","52","3","502","504","10.1107/S0108270195014387","","","0.71073","MoKα","","0.044","0.026","","1.335","0.032","","","","","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004588","20.348","0.004","13.501","0.002","11.701","0.003","90","","90","","90","","3214.5","1.1","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","[bis(3-methylthiazolinylidene)]gold(I) trifluoromethanesulfonate","","- C9 H10 Au F3 N2 O3 S3 -","- C9 H10 Au F3 N2 O3 S3 -","- C72 H80 Au8 F24 N16 O24 S24 -","8","1","CF1002","Kruger, G. J.; Olivier, P. J.; Raubenheimer, H. G.","Bis(3-methyl-1,3-thiazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","3","624","626","10.1107/S0108270195011152","","","0.71069","MoKα","","0.296","0.066","","0.071","0.054","","","","2.51","2.948","2.948","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004589","14.428","0.006","12.885","0.006","7.999","0.005","90","","90","","90","","1487.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetrachlorobis(tetrahydrofuran)zirconium","Tetrachlorobis(tetrahydrofuran)zirconium","","- C8 H16 Cl4 O2 Zr -","- C8 H16 Cl4 O2 Zr -","- C32 H64 Cl16 O8 Zr4 -","4","1","CF1019","Eberle, M.; Röhr, C.","Tetrachlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1996","52","3","566","568","10.1107/S0108270195011188","","","0.7107","MoKα","","0.0792","0.0686","","0.1965","0.1879","","","","1.096","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004590","7.784","0.003","20.606","0.005","11.705","0.003","90","","93.92","0.04","90","","1873.1","1","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Te -","- C24 H18 Te -","- C96 H72 Te4 -","4","1","CF1026","Chen, H.; Hamor, T. A.; Singh, K.; McWhinnie, W. R.","Bis(2-biphenyl) Telluride","Acta Crystallographica Section C","1996","52","3","711","713","10.1107/S0108270195011176","","","0.71073","MoKα","","","0.0346","","","0.0773","","","","","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004591","6.463","0.001","10.665","0.002","15.623","0.003","87.07","0.03","82.13","0.03","88.24","0.03","1065","0.3","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O8 -","- C22 H21 N O8 -","- C44 H42 N2 O16 -","2","1","CR1169","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","3,4-Diphenylpyrrole-2,5-dicarboxylic Acid Acetic Acid Disolvate","Acta Crystallographica Section C","1996","52","3","665","667","10.1107/S0108270195010481","","","0.71073","MoKα","","","0.0578","","","0.0575","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004592","6.255","0.001","30.059","0.004","7.425","0.001","90","","113.95","0.02","90","","1275.8","0.4","295","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","CR1172","Tafeenko, V. A.; Schenk, H.; Paseshnichenko, K. A.; Aslanov, L. A.","7-Methyl-6-phenylimidazo[2,1-<i>b</i>]thiazolium Iodide","Acta Crystallographica Section C","1996","52","3","729","731","10.1107/S0108270195006561","","","0.71073","MoKα","","","0.019","","","0.021","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004593","15.658","0.005","8.352","0.003","16.746","0.005","90","","124.31","0.02","90","","1808.9","1.1","22","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 Cu2 N4 -","- C10 H24 Cl4 Cu2 N4 -","- C40 H96 Cl16 Cu8 N16 -","4","0.5","CR1200","Wang, Z.; Willett, R. D.; Molnar, S.; Brewer, K. J.","Monoclinic Form of [Cu(C~10~H~24~N~4~)]CuCl~4~","Acta Crystallographica Section C","1996","52","3","581","583","10.1107/S0108270195012091","","","0.71073","MoKα","","","0.0376","","","0.0565","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004594","9.238","0.002","14.388","0.003","11.763","0.002","90","","109.4","0.02","90","","1474.7","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-etoxi-1-(5-chlorine,4-nitrous,2-hidroxiphenil)azo,2-aminopropene","","- C12 H13 Cl N4 O5 -","- C12 H13 Cl N4 O5 -","- C48 H52 Cl4 N16 O20 -","4","1","CR1204","Rodrigues, B. L.; do Gambardella, M. T.; de Figueiredo, L. J.; Kascheres, C.","Ethyl 2-[(<i>E</i>)-5-Chloro-2-hydroxy-4-nitrophenylazo]-3-(<i>E</i>)-amino-2-butenoate","Acta Crystallographica Section C","1996","52","3","705","707","10.1107/S0108270195013023","","","0.71073","MoKα","","0.1067","0.0447","","0.0563","0.0397","","","","1.44","1.94","1.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004595","10.025","0.001","8.689","0.001","12.063","0.001","90","0.009","114.01","0.01","90","0.01","959.86","0.18","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(2,2'-bipyrid-4-yl)benzene","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","CR1205","Wang, W.; Baba, A.; Schmehl, R. H.; Mague, J. T.","A Rigid Bis-Bidentate Bridging Ligand: 1,4-Bis(2,2'-bipyrid-4-yl)benzene","Acta Crystallographica Section C","1996","52","3","658","660","10.1107/S010827019501242X","","","0.71073","MoKα","","0.082","0.038","","","0.047","","","","","1.494","1.494","","","","","has coordinates,has Fobs","278324","2022-10-03","14:41:53",""
"2004596","14.708","0.002","21.098","0.004","23.127","0.003","90","","93.29","0.01","90","","7164.7","1.9","230","2","230","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Holmium ""carbons adjacent"" carborane-tmeda cluster","","","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C172 H444 B32 Cl8 Ho4 Li12 N32 Si16 -","4","1","CR1207","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Holmium(III) `Carbons Adjacent' Carborane Cluster, [Li(C~6~H~16~N~2~)~2~][Li~2~(C~6~H~16~N~2~)~2~{HoCl~2~(C~8~H~22~B~4~Si~2~)~2~}].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","3","640","643","10.1107/S010827019501273X","","","0.71073","MoKα","","0.1028","0.0496","","0.1148","0.092","","","","0.992","1.053","1.053","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004597","7.869","0.004","9.677","0.003","14.602","0.003","82.09","0.02","84.16","0.02","77.12","0.03","1070.7","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N3 S4 Te -","- C15 H24 N3 S4 Te -","- C30 H48 N6 S8 Te2 -","2","1","DE1011","Rajashree, S.; Krishna Kumar, R.; Udupa, M. R.; Seshasayee, R.; Aravamudan, G.","The Hemi-Adduct of Bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(II) with 4,4'-Bipyridyl","Acta Crystallographica Section C","1996","52","3","707","709","10.1107/S0108270195012273","","","0.71073","MoKα","","","0.027","","","0.03","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004598","30.973","0.008","8.04","0.005","21.268","0.006","90","","127.04","0.04","90","","4228","4","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C200 H192 N16 O24 -","8","1","DE1014","Miao, F.-M.; Zhang, L.-J.; Wen, X.; Zhou, W.-H.; Niu, Z.-C.; Han, J.-G.; Liu, X.-L.","6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1996","52","3","700","702","10.1107/S0108270195013175","","","0.71073","MoKα","","","0.052","","","0.06","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004599","6.85","0.002","7.188","0.002","7.304","0.002","74.39","0.02","72.02","0.02","78.79","0.02","327.01","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","1","0.5","DU1123","Chaabouni, S.; Kamoun, S.; Daoud, A.; Jouini, T.","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","Acta Crystallographica Section C","1996","52","3","505","506","10.1107/S0108270195011048","","","0.71069","MoKα","","0.0333","0.0329","","0.1019","0.1014","","","","1.154","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004600","17.252","0.003","16.565","0.003","10.422","0.002","90","","90","","90","","2978.4","0.9","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Lithiumtetrapenylborate-Dihydrate-Bis(tetrahydrofuran)","","- C32 H40 B Li O4 -","- C32 H40 B Li O4 -","- C128 H160 B4 Li4 O16 -","4","0.5","DU1138","Schödel, H.; Vaupel, T.; Bock, H.","Lithium Tetraphenylborate.2thf.2H~2~O","Acta Crystallographica Section C","1996","52","3","637","640","10.1107/S0108270195012522","","","0.71073","MoKα","","0.0915","0.0495","","0.1607","0.1392","","","","1.102","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004601","10.5096","0.0008","10.873","0.001","14.32","0.001","90","","106.261","0.008","90","","1570.9","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(ethylammonium)decavanadate dihydrate","","","- C6 H34 N6 O30 V10 -","- C6 H34 N6 O30 V10 -","- C12 H68 N12 O60 V20 -","2","0.5","DU1141","Ninclaus, C.; Riou, D.; Férey, G.","A New Decavanadate Dihydrate Templated by Ethylenediamine","Acta Crystallographica Section C","1996","52","3","512","514","10.1107/S010827019501105X","","","0.71073","MoKα","","0.0673","0.0237","","0.0625","0.1282","","","","0.994","0.994","0.994","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2004602","5.59","0.001","5.6932","0.0008","7.878","0.002","90","","90.26","0.009","90","","250.71","0.09","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La2 Li Mo O6 -","- La2 Li Mo O6 -","- La4 Li2 Mo2 O12 -","2","0.5","DU1142","Tortelier, J.; Gougeon, P.","La~2~LiMoO~6~","Acta Crystallographica Section C","1996","52","3","500","502","10.1107/S010827019501153X","","","0.71073","MoKα","","","0.026","","","0.033","","","","","0.764","0.764","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004603","17.682","0.004","10.292","0.003","11.855","0.003","90","","90","","90","","2157.4","1","293","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H28 N4 Ni O7 S4 -","- C12 H28 N4 Ni O7 S4 -","- C48 H112 N16 Ni4 O28 S16 -","4","1","FG1049","Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M.","1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate","Acta Crystallographica Section C","1996","52","3","555","557","10.1107/S0108270195009619","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004604","7.3319","0.0008","12.3885","0.0009","12.8313","0.0009","114.805","0.009","98.699","0.009","100.923","0.009","1003.38","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nickel(II)-bis-[(d,l)-dicampholylmethanat]","Nickel(II)-bis[1-((+)-(1'R,3'S)-1',2',2',3'-tetramethyl-cyclopent-1'yl)- 3-((-)-(1'S,3'R)-1',2',2',3'-tetramethyl-cyclopent-1'yl)-propan-1,3- dionate]","","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","1","0.5","FG1065","Ficker, R.; Hiller, W.; Ossig, A.; Schurig, V.","Nickel(II) Bis(<i>d</i>-campholyl-<i>l</i>-campholylmethanate)","Acta Crystallographica Section C","1996","52","3","543","545","10.1107/S0108270195010663","","","1.54184","CuKα","","0.0472","0.0446","","0.1204","0.1163","","","","1.119","1.126","1.126","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004605","15.41","0.003","3.953","0.001","18.081","0.006","90","","90","","90","","1101.4","0.5","295","","","","","","","","","","","3","P n a 21","","","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","FG1096","del Benites, M.; Maverick, A. W.; Fronczek, F. R.","1,8-Dichloroanthracene","Acta Crystallographica Section C","1996","52","3","647","648","10.1107/S0108270195014673","","","0.71073","MoKα","","","0.057","","","0.059","","","","","1.955","1.955","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004606","11.782","0.003","17.087","0.004","14.771","0.003","90","","91.29","0.02","90","","2972.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro(propionyl-C)[2(1H)-pyridinonato-N,O]bis[tris(1-methylethyl)- phosphine]iridium(III)","","- C26 H51 Cl Ir N O2 P2 -","- C26 H51 Cl Ir N O2 P2 -","- C104 H204 Cl4 Ir4 N4 O8 P8 -","4","1","FG1097","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chloro(propionyl-<i>C</i>)[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","3","516","519","10.1107/S0108270195010997","","","0.71073","MoKα","","0.0331","0.0262","","0.0688","0.0647","","","","1.023","1.039","1.039","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004607","12.575","0.002","13.42","0.001","13.53","0.002","93.64","","93.23","","95.23","","2264.7","0.5","298","2","566","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(triethylammonium) hexakis(isothiocyanato)-nickel(II)","","- C30 H64 N10 Ni S6 -","- C30 H64 N10 Ni S6 -","- C60 H128 N20 Ni2 S12 -","2","1","FG1110","Kruger, P. E.; McKee, V.","Tetrakis(triethylammonium) Hexakis(isothiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","3","617","619","10.1107/S0108270195013837","","","0.71073","MoKα","","0.0856","0.0552","","0.1638","0.1355","","","","1.024","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004608","6.359","0.001","16.752","0.002","13.653","0.001","90","","94.23","0.01","90","","1450.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Methylenebis[5,5-dimethyl-2,2'-dioxide]1,3,2- dioxaphosphorinane","","- C11 H22 O6 P2 -","- C11 H22 O6 P2 -","- C44 H88 O24 P8 -","4","1","FG1133","Browning, C. S.; Burrow, T. E.; Farrar, D. H.; Lough, A. J.","2,2'-Methylenebis(5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide)","Acta Crystallographica Section C","1996","52","3","652","654","10.1107/S0108270195014685","","","0.71073","MoKα","","0.058","0.0397","","0.1027","0.093","","","","1.015","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004609","11.805","0.004","12.428","0.003","10.021","0.004","100.89","0.03","114.89","0.03","77.51","0.03","1294.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","narceine hydrochloride","N,N-Dimethyl-2-[5-(2-carboxy-3,4-dimethoxybenzoylmethyl)-4-methoxy-1,3- benzodioxol-6-yl]ethylammonium Chloride (Narceine) Trihydrate","","- C23 H34 Cl N O11 -","- C23 H34 Cl N O11 -","- C46 H68 Cl2 N2 O22 -","2","1","HA1145","Baggio, R.; Baggio, S.; Pardo, M. I.; Capparelli, M. V.","Narceine Hydrochloride Trihydrate","Acta Crystallographica Section C","1996","52","3","703","705","10.1107/S0108270195012479","","","0.71073","MoKα","","0.0876","0.0485","","0.1627","0.1366","","","","1.026","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004610","8.215","0.002","7.105","0.003","9.512","0.002","90","","94.54","0.01","90","","553.5","0.3","294.2","","294.2","","","","","","","","","5","P 1 21 1","","","","","","- C7 H13 Cl2 N3 O2 -","- C10.5 H19.5 Cl3 N4.5 O3 -","- C21 H39 Cl6 N9 O6 -","2","1","HA1149","Vilchiz, V. H.; Norman, R. E.; Chang, S.-C.","<small>L</small>-Histidine Methyl Ester Dihydrochloride","Acta Crystallographica Section C","1996","52","3","696","698","10.1107/S0108270195013308","","","0.7107","MoKα","","","0.0327","","","0.0344","","","","","1.872","1.872","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004611","9.5234","0.002","14.528","0.005","12.913","0.003","90","","99.58","0.02","90","","1761.7","0.8","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F6 Mo N O P -","- C15 H20 F6 Mo N O P -","- C60 H80 F24 Mo4 N4 O4 P4 -","4","1","HU1051","Wang, T.-F.; Wen, Y.-S.","Carbonyl(η^4^-1,3-cyclohexadiene)[(η^5^,κ<i>N</i>)-2-methylaminoethylcyclopentadienyl]molybdenum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","525","526","10.1107/S0108270195010328","","","0.7093","MoKα","","","0.035","","","0.045","","","","","2.73","2.73","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004612","5.809","0.001","15.514","0.003","13.883","0.002","90","","90","","90","","1251.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.073","0.0286","","0.082","0.0719","","","","0.921","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004613","6.456","0.001","7.808","0.001","12.636","0.002","93.86","0.01","98.97","0.01","98.81","0.01","619.03","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C28 H24 O6 S2 -","2","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.1945","0.0633","","0.1767","0.143","","","","0.862","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004614","8.748","0.001","17.697","0.002","8.418","0.001","90","","109.01","0.03","90","","1232.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.0546","0.0357","","0.1284","0.1203","","","","1.017","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004615","21.594","0.003","12.399","0.002","24.783","0.003","90","","92.1","0.02","90","","6631","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C36 H30 Au B F4 P2 -","- C36 H30 Au B F8 P2 -","- C288 H240 Au8 B8 F64 P16 -","8","1","HU1080","Wang, J.-C.","[Au(PPh~3~)~2~]^+^[BF~4~]^{-^}","Acta Crystallographica Section C","1996","52","3","611","613","10.1107/S0108270195012376","","","0.71073","MoKα","","","0.0395","","","0.0525","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004616","13.922","0.003","21.002","0.002","24.866","0.002","90","","105.51","0.01","90","","7005.8","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 B N5 P2 Re S Si -","- C80 H73 B N5 P2 Re S Si -","- C320 H292 B4 N20 P8 Re4 S4 Si4 -","4","1","HU1129","Gernert, M. B.; Kooijman, H.; Hiller, W. P.; Dilworth, J. R.; Parrott, S. J.","[Re(NNPh)(NNHPh){2-S-C~5~H~3~N-3-Si(CH~3~)~3~}(PPh~3~)~2~]BPh~4~","Acta Crystallographica Section C","1996","52","3","545","548","10.1107/S0108270195011851","","","0.71073","MoKα","","0.0952","0.0377","","0.07","0.0584","","","","1.007","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004617","4.972","0.001","9.379","0.002","11.326","0.002","90","","92.18","0.01","90","","527.78","0.18","100","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","HU1142","Marfurt, J.; Stulz, E.; Trafelet, H. U.; Zingg, A.; Leumann, C.; Hazenkamp, M.; Judd, R.; Schenker, S.; Strouse, G.; Ward, T. R.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","7-(2'-Deoxy-α-<small>D</small>-ribofuranosyl)hypoxanthine","Acta Crystallographica Section C","1996","52","3","713","716","10.1107/S0108270195012662","","","0.71069","MoKα","","","0.0268","","","0.0357","","","","","1.2618","1.2618","","","","","has coordinates,has Fobs","205898","2020-10-21","18:00:00",""
"2004618","6.078","0.001","9.996","0.002","23.888","0.004","90","","90","","90","","1451.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 O6 -","- C12 H24 O6 -","- C48 H96 O24 -","4","1","JZ1071","Berens, U.; Raabe, G.","(2<i>R</i>,3<i>R</i>,5<i>S</i>,6<i>S</i>)-2,3-Diethoxy-5,6-bis(hydroxymethyl)-2,3-dimethyl-1,4-dioxane","Acta Crystallographica Section C","1996","52","3","669","672","10.1107/S0108270195012194","","","0.71069","MoKα","","","0.054","","","0.048","","","","","2.284","2.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004619","7.489","0.001","27.829","0.006","8.257","0.002","90","","102.05","0.03","90","","1682.9","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","3^1^,3^2^-didehydrorhodochlorin-15-acetic acid trimethylester","(2S,3S)-8-ethenyl-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20- (methoxycarbonylmethyl)-3,7,12,17-tetramethylporphyrin-2- propionic acid methyl ester","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C74 H84 N8 O12 -","2","1","JZ1072","Pajunen, A.; Stapelbroek-Möllmann, M. E.; Hynninen, P. H.","3^1^,3^2^-Didehydrorhodochlorin-15-acetic Acid Trimethyl Ester","Acta Crystallographica Section C","1996","52","3","743","746","10.1107/S0108270195012169","","","0.71073","MoKα","","0.1488","0.0819","","0.2474","0.1906","","","","0.939","1.111","1.111","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004620","7.124","0.004","8.687","0.003","10.6064","0.0013","90","","98.85","0.04","90","","648.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","neptunocene","Bis(cyclooctatetraenyl)neptunium(IV)","","- C16 H16 Np -","- C16 H16 Np -","- C32 H32 Np2 -","2","0.5","JZ1077","De Ridder, D. J. A.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.; Dornberger, E.","Bis(cyclooctatetraenyl)neptunium(IV)","Acta Crystallographica Section C","1996","52","3","597","600","10.1107/S0108270195013047","","","0.71073","MoKα","","0.054","0.031","","0","0.038","","","","0","1.065","1.065","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004621","14.997","0.007","10.84","0.002","19.16","0.008","90","","113.04","0.02","90","","2866.3","1.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Dichlorotris(dimethylphenylphosphine)isothiocyanatotechnetium(III)","","- C25 H33 Cl2 N P3 S Tc -","- C25 H33 Cl2 N P3 S Tc -","- C100 H132 Cl8 N4 P12 S4 Tc4 -","4","1","JZ1079","Abram, U.; Abram, S.; Dilworth, J. R.","Mixed-Ligand Complexes of Technetium. XIV. Structure of <i>trans</i>-[TcCl~2~(NCS)(Me~2~PhP)~3~]","Acta Crystallographica Section C","1996","52","3","605","607","10.1107/S0108270195012923","","","0.71073","MoKα","","0.1193","0.0491","","0.0891","0.0668","","","","1.155","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004622","15.298","0.004","6.097","0.001","22.037","0.004","90","","106.72","0.02","90","","1968.5","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-{dinitratotriaquabis[meso-2,5-bis(trimethylammonio)adipate] dicadmium(II) dinitrate}]","","- C24 H54 Cd2 N8 O23 -","- C24 H54 Cd2 N8 O23 -","- C48 H108 Cd4 N16 O46 -","2","0.5","JZ1080","Wu, D.-D.; Mak, T. C. W.","Polymeric Cadmium(II) Nitrate Adduct of a Flexible Double Betaine: [Cd~2~(<i>L</i>)~2~(NO~3~)~2~(H~2~O)~3~]~<i>n~</i>(NO~3~)~2<i>n~</i> [<i>L</i> = <i>meso</i>-2,5-Bis(trimethylammonio)adipate]","Acta Crystallographica Section C","1996","52","3","529","532","10.1107/S0108270195012133","","","0.71073","MoKα","","0.0693","0.0384","","0.0871","0.0751","","","","1.063","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004623","8.236","0.001","11.26","0.003","11.608","0.003","90.3","0.02","101.98","0.01","110.44","0.02","983.2","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F N3 O7 Se -","- C16 H22 F N3 O7 Se -","- C32 H44 F2 N6 O14 Se2 -","2","1","JZ1086","Poleschner, H.; Schilde, U.","The First Structure of a Vicinal (<i>E</i>)-Fluoroselenoolefin: (<i>E</i>)-(5-Fluoro-4-octen-4-yl)dimethylselenonium Picrate","Acta Crystallographica Section C","1996","52","3","644","647","10.1107/S0108270195014260","","","0.71073","MoKα","","0.0378","0.0299","","0.0813","0.0762","","","","1.021","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004624","12.108","0.007","7.277","0.003","10.835","0.009","90","","107.58","0.05","90","","910.1","1","294","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-n-ethyl-N,N-dimethylammonio acetic acid bromide","","- C6 H14 Br N O2 -","- C6 H14 Br N O2 -","- C24 H56 Br4 N4 O8 -","4","1","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.052","","","0.061","","","","","1.354","1.354","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2004625","11.11","0.007","13.428","0.005","15.038","0.005","90","","90","","90","","2243.4","1.8","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-n-Butyl-N,N-dimethylammonio Acetic Acid Bromide","","- C8 H18 Br N O2 -","- C8 H18 Br N O2 -","- C64 H144 Br8 N8 O16 -","8","2","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.053","","","0.052","","","","","2.19","2.19","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004626","7.93","0.004","11.018","0.004","15.512","0.006","96.01","0.03","98.93","0.03","108","0.03","1256.4","1","292","2","293","2","","","","","","","","5","P -1","-P 1","2","","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","","- C29 H16 Cu N8 S -","- C29 H16 Cu N8 S -","- C58 H32 Cu2 N16 S2 -","2","1","KA1130","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","3","532","535","10.1107/S0108270195007487","","","0.71073","MoKα","","0.0809","0.046","","0.1459","0.1198","","","","0.969","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004627","9.125","0.002","9.241","0.002","10.532","0.002","90","","90","","90","","888.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinium hexafluorogallate","","- F6 Ga H15 N6 -","- F6 Ga H15 N6 -","- F24 Ga4 H60 N24 -","4","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.035","0.033","","0.019","0.019","","","","1.036","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004628","9.248","0.001","10.942","0.001","11.199","0.001","90","","90","","90","","1133.24","0.19","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","hydrazinium pentafluoroaquagallate","","- F5 Ga H8 N2 O -","- F5 Ga H8 N2 O -","- F40 Ga8 H64 N16 O8 -","8","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.037","0.026","","0.024","0.019","","","","1.162","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004629","5.079","0.001","13.925","0.003","9.45","0.002","90","","93.3","0.01","90","","667.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-thiophene carboxylic-acid","","- C6 H6 O2 S -","- C6 H6 O2 S -","- C24 H24 O8 S4 -","4","1","KA1147","Rudiño-Piñera, E.; Panneerselvam, K.; Soriano-García, M.","5-Methyl-2-thiophenecarboxylic Acid","Acta Crystallographica Section C","1996","52","3","675","677","10.1107/S0108270195012467","","","1.54178","CuKα","","0.042","0.0388","","0.1628","0.1016","","","","1.242","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004630","11.073","0.003","14.64","0.003","14.979","0.002","90","","100.36","0.02","90","","2388.6","0.9","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cu2 N4 O12 -","- C52 H52 Cu2 N4 O12 -","- C104 H104 Cu4 N8 O24 -","2","0.5","KH1048","Yu, Y.-P.; Zhu, D.-L.; Liu, S.-X.","A Dimeric Copper(II) Complex of an α-Hydroxylated Acid: [Cu(C~14~H~8~O~3~)(C~9~H~7~N)(H~2~O)]~2~.2C~3~H~7~NO.2H~2~O","Acta Crystallographica Section C","1996","52","3","628","630","10.1107/S0108270195011474","","","0.71069","MoKα","","","0.0437","","","0.053","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004631","13.078","0.002","14.721","0.002","15.437","0.001","90","","90","","90","","2972","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(2-aminoethyl)amine nickel(II) acetate perchlorate","","- C8 H21 Cl N4 Ni O6 -","- C8 H21 Cl N4 Ni O6 -","- C64 H168 Cl8 N32 Ni8 O48 -","8","2","KH1049","Fun, H.-K.; Yip, B.-C.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","(Acetato-<i>O</i>,<i>O</i>')[tris(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) Perchlorate","Acta Crystallographica Section C","1996","52","3","509","512","10.1107/S0108270195010389","","","0.71073","MoKα","","0.0394","0.0375","","0.1078","0.1064","","","","1.045","1.061","1.061","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004632","9.458","0.001","9.644","0.001","9.889","0.001","94.81","0.02","117.76","0.02","114.16","0.02","684.9","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O5 -","- C13 H22 O5 -","- C26 H44 O10 -","2","1","KH1053","Bidyasagar, M.; Ravikumar, K.; Hassan, S. J.; Yadav, J. S.","Methyl 3-(<i>RS</i>)-Hydroxy-4-[(<i>RS</i>)-3,4,5,6-tetrahydro-2<i>H</i>-2-pyranyloxy]cyclohexanecarboxylate","Acta Crystallographica Section C","1996","52","3","687","689","10.1107/S0108270195011991","","","0.71069","MoKα","","","0.053","","","0.06","","","","","0.861","0.861","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004633","10.082","0.001","10.746","0.002","19.155","0.009","95.81","0.02","98.05","0.02","112.63","0.01","1869.1","1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 Cd3 Cl6 N4 O11 -","- C24 H32 Cd3 Cl6 N4 O11 -","- C48 H64 Cd6 Cl12 N8 O22 -","2","1","KH1054","Wu, D.-D.; Mak, T. C. W.","Cadmium(II) Chloride Adduct with an Olefinic Double Betaine: <i>catena</i>-Poly[tetraaquadiethanoltris[dichlorocadmium(II)] <i>cis</i>-bis(4-dimethylamino-1-pyridinio)butenedioate hydrate]","Acta Crystallographica Section C","1996","52","3","526","529","10.1107/S0108270195011760","","","0.71073","MoKα","","","0.051","","","0.072","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004634","10.13","0.005","9.107","0.002","17.62","0.004","90","","106.57","0.03","90","","1558","0.9","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Al N2 -","- C14 H25 Al N2 -","- C56 H100 Al4 N8 -","4","1","KH1055","Ma, X.; Wu, L.; Pan, Y.; Huang, X.; Wang, X.; Zhu, C.","Trimethyl(1-methyl-4-phenylpiperazine-<i>N</i>^1^)aluminium","Acta Crystallographica Section C","1996","52","3","607","609","10.1107/S0108270195012546","","","0.71073","MoKα","","","0.055","","","0.067","","","","","1.69","1.69","","","","","has coordinates","264421","2021-04-22","15:32:46",""
"2004635","8.266","0.002","30.465","0.005","8.334","0.001","90","","90","","90","","2098.7","0.7","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","","- C14 H18 Cd Cl4 N4 O4 -","- C14 H18 Cd0.5 Cl3 N4 O4 -","- C56 H72 Cd2 Cl12 N16 O16 -","4","0.5","KH1059","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Tanaka, M.; Matsumoto, M.","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","3","588","591","10.1107/S0108270195012935","","","0.7107","MoKα","","","0.043","","","0.042","","","","","1.23","1.23","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004636","14.28","0.003","10.426","0.002","16.112","0.004","90","","112.065","0.014","90","","2223.1","0.9","240","0.2","240","0.2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetrakis(dimethylsulphoxide-κ-O)copper(II) bis(perchlorate)","","- C8 H24 Cl2 Cu O12 S4 -","- C8 H24 Cl2 Cu O12 S4 -","- C32 H96 Cl8 Cu4 O48 S16 -","4","1","KH1069","Blake, A. J.; Grimditch, R. S.; Parsons, S.; Schröder, M.","Tetrakis(dimethyl sulfoxide-<i>O</i>)copper(II) Bis(perchlorate)","Acta Crystallographica Section C","1996","52","3","514","516","10.1107/S0108270195013795","","","0.71073","MoKα","","0.1548","0.0649","","0.1349","0.106","","","","0.977","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004637","6.835","0.001","6.995","0.002","8.54","0.001","86.77","0.005","88.663","0.008","84.456","0.013","405.68","0.14","150","1","150","1","","","","","","","","3","P -1","-P 1","2","β-methyl tricarballylic acid","2-methyl propane-1,2,3-tricarboxylic acid","","- C7 H10 O6 -","- C7 H10 O6 -","- C14 H20 O12 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0505","0.036","","0.117","0.0896","","","","0.408","0.404","0.404","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004638","30.9331","0.0012","7.8035","0.0014","7.4103","0.0003","90","","93.565","0.004","90","","1785.3","0.3","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium tricarballylate hydrate (1:1:0.5)","propane-1,2,3-tricarboxylic acid, mono-ammonium salt hemi-hydrate","","- C6 H12 N O6.5 -","- C6 H11.49 N O6.5 -","- C48 H91.92 N8 O52 -","8","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0589","0.04","","0.1","0.0866","","","","0.889","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004639","7.8714","0.0007","8.602","0.002","12.043","0.002","94.454","0.008","108.24","0.02","94.402","0.011","767.7","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-butanetetracarboxylic acid, tetra-ammonium salt, monohydrate","","- C8 H24 N4 O9 -","- C8 H24 N4 O9 -","- C16 H48 N8 O18 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0489","0.035","","0.12","0.0906","","","","0.368","0.35","0.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004640","6.1621","0.0009","15.731","0.004","13.708","0.004","90","","102.07","0.02","90","","1299.4","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-diacetyl-1,4-dihydro-4-phenylpyridine","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","LI1140","Beddoes, R. L.; Arshad, N.; Joule, J. A.","The Zinc‒Acetic Anhydride Reduction of Pyridines","Acta Crystallographica Section C","1996","52","3","654","656","10.1107/S0108270195013539","","","1.5418","CuKα","","","0.066","","","0.083","","","","","2.32","2.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004641","8.725","0.002","7.891","0.003","19.127","0.003","90","","100.03","0.03","90","","1296.7","0.6","296","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Au Br N3 P -","- C9 H12 Au Br N3 P -","- C36 H48 Au4 Br4 N12 P4 -","4","1","MU1183","Al-Arfaj, A. R.; Hussain, M. S.; Isab, A. A.; Akhtar, M. N.","Bromo[tris(2-cyanoethyl)phosphine]gold(I), [(CEP)AuBr]","Acta Crystallographica Section C","1996","52","3","550","553","10.1107/S0108270195009814","","","0.71073","MoKα","","","0.0384","","","0.0421","","","","","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004642","9.334","0.008","11.112","0.005","14.526","0.009","90","","98.14","0.07","90","","1491.4","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N2 Ni S5 -","- C9 H16 N2 Ni S5 -","- C36 H64 N8 Ni4 S20 -","4","1","MU1191","Sheng, T.; Wu, X.; Huang, Q.; Wang, Q.","(2-Thioxo-1,3-dithiole-4,5-dithiolato)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II)","Acta Crystallographica Section C","1996","52","3","539","541","10.1107/S0108270195009826","","","0.71069","MoKα","","","0.054","","","0.063","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004643","13.866","0.002","14.0228","0.0008","15.316","0.001","100.16","0.006","97.712","0.009","104.641","0.007","2785.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,1'-bis(octamethylferrocenium-yl)methyl ferrocene tetracyanoethenide pentacyanopropenide","","- C62 H62 Fe3 N9 -","- C62 H62 Fe3 N9 -","- C124 H124 Fe6 N18 -","2","1","MU1195","Barlow, S.; O'Hare, D.","[{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~}~2~Fe]^2+^.[C~2~(CN)~4~]^{-^}.[C~3~(CN)~5~]^{-^}","Acta Crystallographica Section C","1996","52","3","578","581","10.1107/S010827019500984X","","","0.71073","MolybdenumKα","","","0.051","","","0.06","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004644","6.442","0.003","8.23","0.001","10.631","0.003","106.94","0.02","98.28","0.03","106.12","0.03","502.2","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","1","0.5","MU1211","Xiong, R.-G.; Liu, C.-M.; Li, H.-Z.; You, X.-Z.; Huang, X.-Y.","Bis[<i>O</i>-(4-methylcyclohexyl) dithiocarbonato-<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1996","52","3","519","521","10.1107/S010827019501078X","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004645","10.682","0.002","12.742","0.002","15.508","0.004","90","","103.51","0.01","90","","2052.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 Ni O3 S4 -","- C17 H16 N2 Ni O3 S4 -","- C68 H64 N8 Ni4 O12 S16 -","4","1","MU1213","Xiong, R.-G.; Zuo, J.-L.; Xu, E.-J.; You, X.-Z.; Huang, X.-Y.","(4,5-Diazafluoren-9-one-<i>N</i>^4^,<i>N</i>^5^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","521","523","10.1107/S0108270195010791","","","0.71073","MoKα","","","0.029","","","0.045","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004646","17.344","0.005","8.336","0.005","18.206","0.004","90","","117.63","0.01","90","","2332","1.6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 Ni O2 S4 -","- C20 H22 N2 Ni O2 S4 -","- C80 H88 N8 Ni4 O8 S16 -","4","1","MU1214","Guo, Y.-H.; Xue, Y.-Q.; Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","(2,9-Dimethyl-1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","523","525","10.1107/S0108270195010808","","","0.71073","MoKα","","","0.053","","","0.069","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004647","23.6801","0.0009","12.9415","0.0009","7.8455","0.0005","90","","106.069","0.004","90","","2310.4","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","","- C11 H19 Cl2 Mn N7 O10 S2 -","- C11 H19 Cl2 Mn N7 O10 S2 -","- C44 H76 Cl8 Mn4 N28 O40 S8 -","4","0.5","MU1217","Othman, A. H.; Lee, K.-L.; Fun, H.-K.; Yip, B.-C.","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","Acta Crystallographica Section C","1996","52","3","602","605","10.1107/S0108270195012145","","","0.71073","MoKα","","0.0579","0.0531","","0.1552","0.1516","","","","1.064","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004648","13.226","0.002","13.23","0.002","14.908","0.003","87.63","0.01","78.64","0.02","66.76","0.01","2348.1","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","Bromo-bis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","Bromobis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","","- C51 H54 Br Cu N2 P2 S -","- C51 H54 Br Cu N2 P2 S -","- C102 H108 Br2 Cu2 N4 P4 S2 -","2","1","NA1183","Singh, R.; Dikshit, S. K.","Bromo(<i>N</i>,<i>N</i>-dibutyl-<i>N</i>'-phenylthiourea-<i>S</i>)bis(triphenylphosphine-<i>P</i>)copper(I), [Cu(PPh~3~)~2~(dbptH)Br]","Acta Crystallographica Section C","1996","52","3","635","637","10.1107/S0108270195006500","","","0.71073","MoKα","","0.072","0.037","","0.034","0.032","","","","1.854","2.225","2.225","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004649","6.178","0.001","13.787","0.002","24.819","0.006","90","","90","","90","","2114","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,8-Dimethyl-2-[(3-furoyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1198","Blaton, N. M.; Peeters, O. M.; Meurisse, R. L.; De Ranter, C. J.","2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","3","691","692","10.1107/S0108270195012893","","","0.71073","MoKα","","0.0824","0.0407","","0.1109","0.1109","","","","1.03","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004650","31.328","0.002","7.236","0.001","13.216","0.002","90","","97.8","0.1","90","","2968.2","1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl2 Cu N6 O2 -","- C10 H14 Cl2 Cu N6 O2 -","- C80 H112 Cl16 Cu8 N48 O16 -","8","1","NA1199","Valle, G.; Ettorre, R.; Peruzzo, V.","Dichlorobis(1-methylcytosine)copper(II)","Acta Crystallographica Section C","1996","52","3","626","628","10.1107/S0108270195013382","","","0.7107","MoKα","","","0.049","","","0.054","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004651","14.342","0.001","7.799","0.0008","21.592","0.002","90","0","91.6","0.01","90","0","2414.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^6^-1-tetralol)chromium","","- C13 H12 Cr O4 -","- C13 H12 Cr O4 -","- C104 H96 Cr8 O32 -","8","2","NA1200","Sardone, N.; Seresini, P.; Zecchi, G.","Tricarbonyl(η^6^-1-tetralol)chromium","Acta Crystallographica Section C","1996","52","3","613","615","10.1107/S0108270195012856","","","1.54184","CuKα","","0.04","0.034","","","0.034","","","","","1.07","1.07","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004652","12.0135","0.0007","4.339","0.002","6.5864","0.0004","90","","90","","90","","343.33","0.16","293","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- B2 O4 Sr -","- B2 O4 Sr -","- B8 O16 Sr4 -","4","0.5","OH1085","Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H.","Strontium Metaborate, SrB~2~O~4~","Acta Crystallographica Section C","1996","52","3","498","500","10.1107/S0108270195010341","","","0.71073","MoKα","","","0.0504","","","0.0551","","","","","1.5271","1.5271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004653","10.186","0.004","23.842","0.004","6.62","0.003","90","","90","","90","","1607.7","1","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sodium (ethylenediaminetetraacetato)gallate(III) trihydrate","","- C10 H18 Ga N2 Na O11 -","- C10 Ga N2 Na O11 -","- C40 Ga4 N8 Na4 O44 -","4","1","OH1086","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium (Ethylenediaminetetraacetato)gallate(III) Trihydrate","Acta Crystallographica Section C","1996","52","3","573","575","10.1107/S0108270195012017","","","0.7107","MoKα","","","0.055","","","0.063","","","","","2.78","2.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004654","6.299","0.001","9.432","0.003","6.967","0.002","90","","90","","90","","413.92","0.19","293","1","293","1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cl Cu3 Er O8 Se2 -","- Cl Cu3 Er O8 Se2 -","- Cl2 Cu6 Er2 O16 Se4 -","2","0.25","OH1088","Berrigan, R.; Gatehouse, B. M.","Cu~3~Er(SeO~3~)~2~O~2~Cl, the Erbium Analogue of Francisite","Acta Crystallographica Section C","1996","52","3","496","497","10.1107/S0108270195014120","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004655","10.169","0.003","8.748","0.002","15.254","0.005","104.45","0.05","97.4","0.05","109.22","0.05","1207.3","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N4 O2 -","- C27 H32 N4 O2 -","- C54 H64 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.041","","","0.054","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004656","9.894","0.003","9.908","0.003","14.78","0.005","105.29","0.05","94.07","0.05","112.2","0.05","1270.2","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.04","","","0.053","","","","","1.85","1.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004657","6.966","0.004","8.993","0.004","10.932","0.004","96.03","0.15","104.12","0.16","104.84","0.16","631.7","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cr O5 -","- C13 H10 Cr O5 -","- C26 H20 Cr2 O10 -","2","1","PA1203","Lamiot, J.; Baert, F.; Brocard, J.; Goetgheluck, S.","Tricarbonyl(η^6^-3-methyl-2-vinylbenzoic acid)chromium","Acta Crystallographica Section C","1996","52","3","595","597","10.1107/S0108270195013114","","","0.71073","MoKα","","","0.0474","","","0.0479","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004658","12.391","0.004","13.403","0.004","8.849","0.003","98.35","0.02","89.96","0.02","62.55","0.02","1286.5","0.8","173","","","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C34 H36 Cl4 Cu2 F12 N4 O12 S6 -","2","1","PA1205","Diebold, A.; Kyritsakas, N.; Fischer, J.; Weiss, R.","A Bis(6-methyl-2-pyridylmethyl) Thioether (DMPT) Copper(II) Complex, [Cu(OSO~2~CF~3~)~2~(C~14~H~16~N~2~S)].CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","3","632","634","10.1107/S0108270195012649","","","1.54184","CuKα","","","0.037","","","0.06","","","","","1.364","1.364","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004659","23.85","0.02","6.08","0.01","12.14","0.02","90","","90","","90","","1760","4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 O4 -","- C17 H14 F6 O4 -","- C68 H56 F24 O16 -","4","1","PA1209","Hamzaoui, F.; Baert, F.","A New Pyrethroid Insecticide, RU41414","Acta Crystallographica Section C","1996","52","3","689","690","10.1107/S0108270195013102","","","0.71073","MoKα","","","0.05","","","0.05","","","","","1.07","1.07","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004660","14.63","0.004","12.616","0.003","11.709","0.003","90","","90","","90","","2161.2","1","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl O Ti -","- C11 H13 Cl O Ti -","- C88 H104 Cl8 O8 Ti8 -","8","1","SX1010","Gibson, D. H.; Ding, Y.; Mashuta, M. S.; Richardson, J. F.","Chlorobis(η^5^-cyclopentadienyl)methoxytitanium","Acta Crystallographica Section C","1996","52","3","559","560","10.1107/S0108270195012297","","","0.71073","MoKα","","","0.039","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004661","6.629","0.001","7.908","0.001","12.985","0.001","82.556","0.008","76.504","0.009","67.621","0.007","611.43","0.13","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C30 H32 O6 -","2","1","SZ1015","Cote, M. L.; Thompson, H. W.; Lalancette, R. A.","Hydrogen-Bonding Pattern of a β-Keto Acid: (±)-10-oxo-3,4-benzobicyclo[4.3.1]dec-3-ene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","3","684","687","10.1107/S0108270195012303","","","0.71073","MoKα","","","0.045","","","0.0581","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004662","7.668","0.002","8.997","0.001","9.01","0.002","115.75","0.02","91.32","0.02","97.45","0.02","552.9","0.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 O4 P -","- C8 H15 O4 P -","- C16 H30 O8 P2 -","2","1","SZ1035","Sanders, T. C.; Hammond, G. B.; Golen, J. A.; Williard, P. G.","Diethyl (1-Hydroxy-2-butynyl)phosphonate","Acta Crystallographica Section C","1996","52","3","667","669","10.1107/S0108270195012315","","","0.71073","MoKα","","","0.075","","","0.089","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004663","8.758","0.002","10.01","0.004","28.466","0.006","90","0.02","90","0.02","90","0.02","2495.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","TA1034","Cambie, R. C.; Lal, A. R.; Rickard, C. E. F.","A Sesterterpene Lactone from <i>Petrosaspongia nigra</i> sp. nov.","Acta Crystallographica Section C","1996","52","3","709","711","10.1107/S0108270195010857","","","0.71069","MoKα","","0.0984","0.0564","","0.2345","0.1183","","","","1.102","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004664","12.141","0.002","12.01","0.001","19.248","0.002","90","","97.03","0.01","90","","2785.5","0.6","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-aminoethyl)-N,N'-bis(2-ammonioethyl)ethylenediamineplatinum(II) bis(tetrachloroplatinate) trihydrate","","- C10 H36 Cl8 N6 O3 Pt3 -","- C10 H30 Cl8 N6 O3 Pt3 -","- C40 H120 Cl32 N24 O12 Pt12 -","4","1","TA1044","Sakai, K.; Tanaka, Y.; Tsubomura, T.","[<i>N</i>,<i>N</i>'-Bis(2-aminoethyl-κ<i>N</i>)-<i>N</i>,<i>N</i>'-bis(2-ammonioethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) Bis(tetrachloroplatinate) Trihydrate","Acta Crystallographica Section C","1996","52","3","541","543","10.1107/S0108270195011413","","","0.71069","MoKα","","","0.0669","","","0.0443","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004665","17.578","0.003","9.909","0.004","22.945","0.004","90","","90","","90","","3996.6","1.9","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl Ni P -","- C23 H20 Cl Ni P -","- C184 H160 Cl8 Ni8 P8 -","8","1","TA1050","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","Chloro(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","Acta Crystallographica Section C","1996","52","3","535","537","10.1107/S0108270195011103","","","0.7107","MoKα","","","0.0323","","","0.021","","","","","1.728","1.728","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004666","12.575","0.002","14.454","0.003","18.365","0.004","90","","90","","90","","3338","1.1","293","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 F6 Fe P4 -","- C33 H34 F6 Fe P4 -","- C132 H136 F24 Fe4 P16 -","4","1","TA1051","Pabel, M.; Willis, A. C.; Wild, S. B.","[<i>R</i>-(<i>R</i>*,<i>R</i>*)]-(η^5^-Cyclopentadienyl)[1,2-phenylenebis(methylphenylphosphine-<i>P</i>)](1-phenylphosphirane-<i>P</i>)iron(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","557","559","10.1107/S0108270195011784","","","0.7107","MoKα","","","0.056","","","0.032","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004667","7.089","0.003","13.781","0.001","10.141","0.003","90","","91.39","0.03","90","","990.4","0.5","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N2 Pt S4 -","- C16 H28 N2 Pt S4 -","- C32 H56 N4 Pt2 S8 -","2","0.5","TA1052","Heath, G. A.; Hockless, D. C. R.; Prenzler, P. D.","Bis(<i>N</i>,<i>N</i>-<i>cyclo</i>-heptamethylenedithiocarbamato-<i>S</i>,<i>S</i>')platinum(II), a Platinum Dithiocarbamate Containing a Large Carbocyclic Ring","Acta Crystallographica Section C","1996","52","3","537","539","10.1107/S0108270195011383","","","0.7107","MoKα","","","0.035","","","0.047","","","","","2.82","2.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004668","7.025","0.0014","8.408","0.002","21.89","0.004","90","","97.89","0.03","90","","1280.7","0.5","150","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","monophenyl carborane","1-Phenyl-1,2-dicarba-closo-dodecaborane","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AB1287","Thomas, R. Ll.; Rosair, G. M.; Welch, A. J.","A New Crystalline Form of 1-Phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","4","1024","1026","10.1107/S010827019501198X","","","0.71073","MoKα","","0.0632","0.0544","","0.1431","0.1362","","","","1.031","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004669","8.289","0.005","6.312","0.004","11.786","0.004","90","","93.19","0.03","90","","615.7","0.6","295","1","295","1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","AB1295","Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.","<i>trans</i>-1,1'-Bis(indenylidene)","Acta Crystallographica Section C","1996","52","4","947","949","10.1107/S0108270195014600","","","0.71069","MoKα","","","0.0421","","","0.0428","","","","","2.908","2.908","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004670","10.89","0.001","17.714","0.003","8.94","0.001","97.24","0.01","105.824","0.008","93.82","0.01","1636.8","0.4","243","2","243","2","","","","","","","","6","P 1","P 1","1","","(S)-(+)-[(benzyloxymethyl)(tert-butyl)methylsilyl] methyl ketone 2,4,6- triisopropylphenylsulfonylhydrazone","","- C30 H48 N2 O3 S Si -","- C30 H48 N2 O3 S Si -","- C60 H96 N4 O6 S2 Si2 -","2","2","AB1320","Bratovanov, S.; Linden, A.; Bienz, S.","Absolute Configuration of (<i>S</i>)-(+)-[(Benzyloxymethyl)(<i>tert</i>-butyl)methylsilyl] Methyl Ketone","Acta Crystallographica Section C","1996","52","4","1045","1047","10.1107/S0108270195014338","","","0.71073","MoKα","","0.0853","0.0501","","0.1446","0.127","","","","1.012","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004671","7.133","0.001","13.206","0.001","20.355","0.005","90","","90","","90","","1917.4","0.6","294","1","294","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N,N-Dimethyl-2,4-dinitroaniline","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C64 H72 N24 O32 -","8","1","AB1321","Low, J. N.; Doidge-Harrison, S. M. S. V.; Cobo, J.","<i>N</i>,<i>N</i>-Dimethyl-2,4-dinitroaniline","Acta Crystallographica Section C","1996","52","4","964","966","10.1107/S0108270195014612","","","0.7107","MolybdenumKα","","0.1113","0.0464","","0.1099","0.0986","","","","0.799","1.146","1.146","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004672","25.303","0.003","9.953","0.004","25.071","0.003","90","","112.08","0.01","90","","5851","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridyl)(methyl)(phenyl)palladium(II)","","- C17 H16 N2 Pd -","- C17 H16 N2 Pd -","- C272 H256 N32 Pd16 -","16","4","AB1331","Spek, A. L.; Janssen, M. D.; Markies, B. A.; van Koten, G.","A Second Polymorph of 2,2'-Bipyridyl(methyl)(phenyl)palladium(II)","Acta Crystallographica Section C","1996","52","4","868","871","10.1107/S0108270195014909","","","0.71073","MoKα","","","0.069","","","0.19","","","","","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004673","22.264","0.004","14.249","0.004","22.004","0.003","90","","93.562","0.015","90","","6967","3","294","1","294","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[μ-bis(diphenylphosphino)hexane-P,P']digold(I) hexafluoroantimonate acetonitrile solvate","","- C63.2 H68.8 Au2 F12 N1.6 P4 Sb2 -","- C60 H64 Au2 F12 P4 Sb2 -","- C240 H256 Au8 F48 P16 Sb8 -","4","0.5","AB1344","Ferguson, G.; Gabe, E. J.; Spalding, T. R.; Kelleher, A.-M.","Bis[μ-bis(diphenylphosphino)hexane-<i>P</i>:<i>P</i>']digold(I) Hexafluoroantimonate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","4","768","770","10.1107/S0108270196000996","","","0.7107","MolybdenumKα","","0.0798","0.0372","","0.0982","0.0891","","","","0.985","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004674","9.9005","0.0008","10.5082","0.0012","11.314","0.002","62.779","0.014","72.583","0.011","88.966","0.008","988.9","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","trans-bis(tricyclohexylphosphine)tetracarbonylmolybdenum(0)","","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","1","0.5","AB1347","Alyea, E. C.; Ferguson, G.; Kannan, S.","<i>trans</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0), <i>trans</i>-[Mo(CO)~4~(PCy~3~)~2~]","Acta Crystallographica Section C","1996","52","4","765","767","10.1107/S010827019600100X","","","0.7107","MolybdenumKα","","0.0844","0.0411","","0.0925","0.0841","","","","0.962","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004675","9.498","0.002","14.443","0.003","20.318","0.004","78.56","0.03","85.43","0.03","88.77","0.03","2723.1","1","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C148 H104 O8 -","4","2","AS1145","Mathew, T.; Kumar, S. A.; Das, S.; Rath, N. P.; George, M. V.","A Photoproduct Derived from 9-Benzyl-Substituted Dibenzobarrelene","Acta Crystallographica Section C","1996","52","4","942","944","10.1107/S0108270195013667","","","1.54178","CuKα","","","0.0571","","","0.0796","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004676","7.424","0.001","7.325","0.001","13.959","0.001","78.67","0.01","75.15","0.01","63.98","0.01","656.28","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C30 H24 N8 O2 S2 -","2","1","AS1188","Song, C. E.; Jin, B. W.; Jeong, J. H.","3-(6-Methoxy-2-benzimidazolyl)benzothiazolin-2-imine","Acta Crystallographica Section C","1996","52","4","962","964","10.1107/S0108270195013357","","","0.71073","MoKα","","0.0388","0.0376","","0.1006","0.0996","","","","1.099","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004677","10.246","0.002","14.487","0.002","4.2536","0.0005","90","","90.23","0.01","90","","631.37","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H8 B2 I2 -","- C12 H8 B2 I2 -","- C24 H16 B4 I4 -","2","0.25","AS1194","Akutsu, H.; Kozawa, K.; Uchida, T.","5,10-Diiodo-5,10-dihydroboranthrene","Acta Crystallographica Section C","1996","52","4","991","993","10.1107/S0108270195010742","","","0.71073","MoKα","","","0.054","","","0.039","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004678","27.638","0.002","11.938","0.003","16.433","0.002","90","","120.208","0.006","90","","4685.7","1.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ~3~-oxo-O,O,O)-heptakis(μ~2~-acetato-O,O')-bis(2,2'-bipyridine) tetramanganese(III) perchlorate","","- C34 H37 Cl Mn4 N4 O20 -","- C33 H37 Cl Mn4 N4 O20 -","- C132 H148 Cl4 Mn16 N16 O80 -","4","0.5","AS1198","Tamane, T.; Tsubomura, T.; Sakai, K.","[Mn~4~^III^(μ~3~-O)~2~(μ-O~2~CMe)~7~(2,2'-bipyridine)~2~]ClO~4~","Acta Crystallographica Section C","1996","52","4","777","779","10.1107/S0108270195013333","","","0.71069","MoKα","","","0.0752","","","0.066","","","","","3.33","3.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004679","8.27","0.002","9.361","0.002","10.689","0.002","113.88","0.01","98.81","0.02","105.94","0.01","693.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(dithiodicarbonothioyl)bispyrrolidine.","","- C10 H16 N2 S4 -","- C10 H16 N2 S4 -","- C20 H32 N4 S8 -","2","1","AS1200","Yamin, B. M.; Suwandi, S. A.; Fun, H.-K.; Sivakumar, K.; Shawkataly, O. B.","Triclinic Form of Dipyrrolidinylthiuram Disulfide","Acta Crystallographica Section C","1996","52","4","951","953","10.1107/S0108270195013059","","","0.71073","MoKα","","0.0755","0.043","","0.1146","0.1044","","","","0.869","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004680","8.826","0.001","9.464","0.001","35.02","0.004","90","","90","","90","","2925.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Leu-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0841","0.0477","","0.1071","0.0922","","","","1.055","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004681","8.919","0.002","9.353","0.001","35.408","0.004","90","","90","","90","","2953.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Met-OMe dihydrate","","","- C24 H40 N4 O9 S -","- C24 H40 N4 O9 S -","- C96 H160 N16 O36 S4 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0762","0.0507","","0.1316","0.116","","","","1.006","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004682","8.879","0.001","9.344","0.001","35.674","0.004","90","","90","","90","","2959.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(D)-Phe-(L)-Nle-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0808","0.0455","","0.1043","0.0917","","","","1.018","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004683","11.323","0.002","17.602","0.004","9.852","0.002","90","","101.94","0.02","90","","1921.1","0.7","298","","","","","","","","","","","3","P 1 21/m 1","","","","","","- C75 H14 O2 -","- C72.5 H14 O2 -","- C145 H28 O4 -","2","0.5","AS1208","Tezuka, Y.; Kawasaki, N.; Yajima, H.; Ishii, T.; Oyama, T.; Takeuchi, K.; Nakao, A.; Katayama, C.","Bis(4-methoxyphenyl)methano[60]fullerene with a Methano Bridge at the 6‒6-Ring Junction","Acta Crystallographica Section C","1996","52","4","1008","1010","10.1107/S0108270195013096","","","0.71073","MoKα","","","0.041","","","0.038","","","","","0.756","0.756","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004684","8.759","0.001","11.745","0.003","7.322","0.001","91.54","0.02","111.07","0.01","82","0.02","695.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O4 S3 -","- C12 H14 O4 S3 -","- C24 H28 O8 S6 -","2","1","AS1212","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3-Bis(ethylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","4","905","907","10.1107/S0108270195013369","","","0.71069","MoKα","","","0.0375","","","0.0383","","","","","2.081","2.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004685","6.959","0.001","10.778","0.002","9.489","0.002","90","","109.28","0.02","90","","671.8","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O3 -","- C2 H8 N6 O3 -","- C8 H32 N24 O12 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.046","0.046","","","0.048","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004686","14.0232","0.0008","6.8842","0.0005","8.9541","0.0005","90","","90","","90","","864.42","0.09","193","","193","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H9 N7 O6 -","- C2 H9 N7 O6 -","- C8 H36 N28 O24 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.033","0.027","","","0.037","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004687","7.409","0.001","7.619","0.001","9.843","0.001","82.02","0.01","83.2","0.01","69.92","0.01","515.3","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H9 Cl2 N5 O8 -","- C2 H9 Cl2 N5 O8 -","- C4 H18 Cl4 N10 O16 -","2","1","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.042","0.03","","","0.035","","","","","3.205","3.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004688","7.7421","0.0009","9.874","0.002","12.267","0.002","112.75","0.01","91.89","0.01","111.91","0.01","784.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl N5 O4 -","- C2 H8 Cl1.5 N5 O6 -","- C8 H32 Cl6 N20 O24 -","4","2","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.045","0.036","","","0.047","","","","","2.677","2.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004689","6.759","0.002","13.803","0.001","15.124","0.003","90","","109.43","0.01","90","","1330.6","0.5","293","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C12 H10 Cu N3 O5 P -","- C24 H20 Cu2 N6 O10 P2 -","- C48 H40 Cu4 N12 O20 P4 -","2","0.5","BK1160","Parker, O. J.; Harvey, R. M.; Breneman, G. L.","Di-μ-phosphinato-bis[(1,10-phenanthroline)copper(II)] Nitrate, [Cu~2~(H~2~PO~2~)~2~(phen)~2~](NO~3~)~2~","Acta Crystallographica Section C","1996","52","4","871","873","10.1107/S0108270195010675","","","0.71073","MoKα","","","0.029","","","0.054","","","","","2.55","2.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004690","9.72","0.004","7.657","0.002","14.708","0.007","90","","103.63","0.04","90","","1063.8","0.7","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O4 -","- C22 H38 O4 -","- C44 H76 O8 -","2","1","BK1162","Zhou, L.; Timmermann, B. N.; Grittini, C.; Bruck, M. A.; Enemark, J. H.","Tarapacol 15-Acetate, a New Diterpenoid from <i>Grindelia tarapacana Phil</i>.","Acta Crystallographica Section C","1996","52","4","1042","1044","10.1107/S0108270195013473","","","0.71073","MoKα","","","0.06","","","0.067","","","","","1.92","1.92","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004691","9.527","0.001","10.731","0.001","22.525","0.002","90","","99.63","0.01","90","","2270.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bisdiphenylphosphino methane disulfide","","- C25 H22 P2 S2 -","- C25 H22 P2 S2 -","- C100 H88 P8 S8 -","4","1","BK1168","Carmalt, C. J.; Cowley, A. H.; Decken, A.; Lawson, Y. G.; Norman, N. C.","Bis(diphenylphosphino)methane Disulfide","Acta Crystallographica Section C","1996","52","4","931","933","10.1107/S0108270195013230","","","0.71073","MoKα","","0.0643","0.046","","0.108","0.0927","","","","1.124","1.138","1.138","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004692","14.105","0.004","32.281","0.004","18.473","0.003","90","","107.38","0.01","90","","8027","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C354 H240 Cl4 Mo8 N32 O18 -","4","1","BK1173","Cheng, B.; Scheidt, W. R.","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","Acta Crystallographica Section C","1996","52","4","832","835","10.1107/S0108270195014648","","","0.71073","MoKα","","0.0581","0.0466","","0.1684","0.1421","","","","1.093","1.097","1.097","","","","","has coordinates","202202","2020-10-21","18:00:00",""
"2004693","13.236","0.003","17.146","0.005","20.781","0.006","90","","103.04","0.02","90","","4595","2","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 N O6 P2 Re2 -","- C51 H45 N O8 P2 Re2 -","- C204 H180 N4 O32 P8 Re8 -","4","1","BK1177","Gibson, D. H.; Bardon, R. F.; Mehta, J. M.; Mashuta, M. S.; Richardson, J. F.","1-Carbonyl-2,2-<i>cis</i>-dicarbonyl-μ-formato-1<i>C</i>:2<i>O</i>,<i>O</i>'-1-nitrosyl-1-(η^5^-pentamethylcyclopentadienyl)-2,2-<i>trans</i>-bis(triphenylphosphine)dirhenium","Acta Crystallographica Section C","1996","52","4","852","854","10.1107/S010827019501376X","","","0.71073","MoKα","","","0.034","","","0.034","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004694","5.8867","0.0008","7.023","0.001","17.9952","0.0007","90","","92.473","0.008","90","","743.27","0.15","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","BK1178","Tzou, J.-R.; Huang, A.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","1-Cyanomethyl-6,7,8-trioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","4","1012","1014","10.1107/S0108270195014004","","","0.7107","MoKα","","","0.037","","","0.0424","","","","","1.913","1.913","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004695","15.683","0.002","8.888","0.002","12.653","0.003","90","","90","","90","","1763.7","0.6","296","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis(1-H-3-methyl-4-amine-5-thione-1,2,4-triazole)nickel(II) nitrate","","- C6 H16 N10 Ni O8 S2 -","- C6 H16 N10 Ni O8 S2 -","- C24 H64 N40 Ni4 O32 S8 -","4","0.5","BK1184","Sen, A. K.; Dubey, S. N.; Squattrito, P. J.","Diaquabis(4-amino-3-methyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)nickel(II) Nitrate: a Sulfur‒Nitrogen Chelate","Acta Crystallographica Section C","1996","52","4","865","868","10.1107/S010827019501496X","","","0.7107","MoKα","","0.0673","0.035","","0.0355","0.033","","","","","2.166","2.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004696","5.564","0.002","5.327","0.002","34.038","0.002","90","","92.81","0.02","90","","1007.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","fluorene-1-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","BK1185","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","4","907","910","10.1107/S0108270195014971","","","0.71073","MoKα","","","0.054","","","0.066","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004697","6.0904","0.0009","18.414","0.004","9.94","0.002","90","","96.999","0.012","90","","1106.5","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cl2 O4 Ru -","- C7 H8 Cl2 O4 Ru -","- C28 H32 Cl8 O16 Ru4 -","4","1","BK1187","Gray, G. M.; Duffey, C. H.","<i>fac</i>-Tricarbonyldichloro(tetrahydrofuran)ruthenium(II)","Acta Crystallographica Section C","1996","52","4","861","863","10.1107/S0108270195015174","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004698","13.084","0.003","6.527","0.001","15.397","0.003","90","","104.66","0.02","90","","1272.1","0.4","138","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O S -","- C14 H19 N O S -","- C56 H76 N4 O4 S4 -","4","1","BK1188","Hossain, M. B.; van der Helm, D.; Sangiah, S.; Berlin, K. D.","7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-Oxide","Acta Crystallographica Section C","1996","52","4","995","998","10.1107/S0108270195015447","","","0.71073","MoKα","","","0.044","","","0.043","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004699","11.273","0.003","10.41","0.004","13.796","0.003","90","","100.35","0.02","90","","1592.6","0.8","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-amino-4-hydroxybenzenesulfonic acid hemihydrate","","- C6 H8 N O4.5 S -","- C6 H8 N O4.5 S -","- C48 H64 N8 O36 S8 -","8","2","BK1189","Gunderman, B. J.; Squattrito, P. J.","3-Amino-4-hydroxybenzenesulfonic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","4","940","942","10.1107/S0108270195014466","","","0.7107","MoKα","","0.0563","0.038","","0.0413","0.04","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004700","3.888","0.003","9.984","0.004","27.537","0.008","90","","93.09","0.08","90","","1067.4","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-amino-5-bromobenzoyl)pyridine","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","BM1039","Cox, P. J.; Anisuzzaman, A. T. Md.; Pryce-Jones, R. H.; Shankland, N.; Skellern, G. G.","2-(2-Amino-5-bromobenzoyl)pyridine","Acta Crystallographica Section C","1996","52","4","929","931","10.1107/S0108270195014776","","","0.71069","MoKα","","0.0571","0.0427","","0.0915","0.0895","","","","1.01","1.166","1.166","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004701","10.995","0.002","14.837","0.003","10.316","0.002","102.63","0.02","96.95","0.02","83.16","0.02","1622.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethylgallium diphenylphosphinate","","- C32 H40 Ga2 O4 P2 -","- C32 H40 Ga2 O4 P2 -","- C64 H80 Ga4 O8 P4 -","2","1","BM1040","Browning, D. J.; Corker, J. M.; Webster, M.","Diethylgallium Diphenylphosphinate","Acta Crystallographica Section C","1996","52","4","882","884","10.1107/S0108270195014508","","","0.71069","MoKα","","0.0459","0.0308","","0.0894","0.082","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004702","12.552","0.003","19.18","0.003","9.997","0.002","90","","90","","90","","2406.8","0.8","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","octacaesium decatungstosilicate nonahydrate","","- Cs8 H18 O43 Si W10 -","- Cs8 O45 Si W10 -","- Cs16 O90 Si2 W20 -","2","0.5","BR1104","Hartl, H.; Hubert, V.","Octacaesium Decatungstosilicate Nonahydrate","Acta Crystallographica Section C","1996","52","4","757","759","10.1107/S0108270195014284","","","0.7107","MoKα","","0.073","0.07","","0.07","0.07","","","","4.142","4.232","4.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004703","8.2508","0.0006","8.2508","0.0006","18.745","0.002","90","","90","","120","","1105.12","0.16","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi La N6 O5 S6 -","- C6 H6 Bi La N6 O5 S6 -","- C12 H12 Bi2 La2 N12 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0329","0.0277","","0.0593","0.0537","","","","1.162","1.172","1.172","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004704","8.2","0.002","8.2","0.002","18.606","0.003","90","","90","","120","","1083.5","0.4","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi N6 Nd O5 S6 -","- C6 H6 Bi N6 Nd O5 S6 -","- C12 H12 Bi2 N12 Nd2 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0567","0.0464","","0.141","0.1199","","","","1.071","1.078","1.078","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004705","10.622","0.003","5.459","0.002","13.708","0.004","90","","104.4","0.02","90","","769.9","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","CF1034","Lokaj, J.; Vrábel, V.; Ilavský, D.; Bartovič, A.","2-Amino-4-nitrobenzothiazole","Acta Crystallographica Section C","1996","52","4","1040","1042","10.1107/S0108270195012728","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004706","8.006","0.001","12.097","0.002","8.794","0.001","90","","101.12","0.01","90","","835.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-acetoxymethyl-2-acetyl-1-methyl- 1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","CF1035","Maurin, J. K.; Czarnocki, Z.; Paluchowska, B.","(<i>S</i>)-1-Acetoxymethyl-2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline","Acta Crystallographica Section C","1996","52","4","953","955","10.1107/S0108270195014491","","","1.54178","CuKα","","0.0446","0.0355","","0.1024","0.0967","","","","1.033","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004707","8.104","0.001","9.975","0.001","9.986","0.002","90","","90","","90","","807.2","0.2","195","3","195","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromo-1,4-disilabutane","","- C2 H8 Br2 Si2 -","- C2 H8 Br2 Si2 -","- C8 H32 Br8 Si8 -","4","0.5","CF1041","Mitzel, N. W.; Riede, J.; Schmidbaur, H.","1,4-Dibromo-1,4-disilabutane","Acta Crystallographica Section C","1996","52","4","980","982","10.1107/S010827019501451X","","","0.71069","MoKα","","0.0485","0.0315","","0.0779","0.0676","","","","1.168","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004708","20.455","0.002","8.528","0.0008","20.338","0.002","90","","92.237","0.007","90","","3545.1","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ferrocenyl-3-phenylquinoxaline","","- C24 H18 Fe N2 -","- C24 H18 Fe N2 -","- C192 H144 Fe8 N16 -","8","1","CF1042","Glidewell, C.; Scott, J. P.; Ferguson, G.","2-Ferrocenyl-3-phenylquinoxaline","Acta Crystallographica Section C","1996","52","4","770","773","10.1107/S0108270195015022","","","0.7107","MolybdenumKα","","0.0594","0.034","","0.0883","0.0823","","","","1.012","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004709","7.643","0.001","9.8349","0.0012","18.629","0.002","90","","90","","90","","1400.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ferrocenyl-2-phenylethanedione","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C72 H56 Fe4 O8 -","4","1","CF1043","Glidewell, C.; Gottfried, M. J.; Trotter, J.; Ferguson, G.","1-Ferrocenyl-2-phenylethanedione","Acta Crystallographica Section C","1996","52","4","773","775","10.1107/S0108270195015034","","","0.7107","MolybdenumKα","","0.0561","0.0319","","0.0712","0.0658","","","","0.977","1.071","1.071","","","","","has coordinates","192282","2020-10-21","18:00:00",""
"2004710","9.509","0.002","10.312","0.002","11.541","0.002","99.51","0.02","90.59","0.02","100.24","0.02","1097.4","0.4","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Bis(1-ferrocenylpropyl) ether","","- C26 H30 Fe2 O -","- C26 H30 Fe2 O -","- C52 H60 Fe4 O2 -","2","1","CF1047","Ferguson, G.; Trotter, J.; Glidewell, C.; Zakaria, C. M.","Racemic Bis(1-ferrocenylpropyl) Ether","Acta Crystallographica Section C","1996","52","4","775","777","10.1107/S0108270195015046","","","0.7107","MolybdenumKα","","0.0528","0.0336","","0.0869","0.0816","","","","1.019","1.122","1.122","","","","","has coordinates","192283","2020-10-21","18:00:00",""
"2004711","11.222","0.005","10.725","0.008","12.002","0.008","90","","98.03","0.05","90","","1430.3","1.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 I3 N2 -","- C10 H9 I3 N2 -","- C40 H36 I12 N8 -","4","1","CF1051","Fialho De Assis, E.; Howie, R. A.; Wardell, J. L.","2-(2-Pyridyl)pyridinium Triiodide","Acta Crystallographica Section C","1996","52","4","955","957","10.1107/S0108270195014533","","","0.71073","MoKα","","","0.057","","","0.067","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004712","7.7051","0.0009","8.061","0.0008","20.419","0.002","90","","93.338","0.009","90","","1266.1","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 I O3 -","- C13 H11 I O3 -","- C52 H44 I4 O12 -","4","2","CR1135","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Iodo-2-methoxy-7-naphthyl Acetate","Acta Crystallographica Section C","1996","52","4","944","947","10.1107/S0108270195010432","","","0.71073","MoKα","","","0.0417","","","0.0485","","","","","2.493","2.493","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004713","7.156","0.001","8.599","0.004","11.06","0.004","100.02","0.03","104.81","0.02","96.2","0.03","639.6","0.4","288","2","288","2","","","","","","","","5","P -1","-P 1","2","2-Aminoperimidine hydrobromide dihydrate","","","- C11 H14 Br N3 O2 -","- C11 H13 Br N3 O2 -","- C22 H26 Br2 N6 O4 -","2","1","CR1182","Baker, S. M.; Baughman, R. G.; Meloan, C. E.; Mumba, P.","2-Aminoperimidinium Bromide Dihydrate","Acta Crystallographica Section C","1996","52","4","998","1000","10.1107/S010827019501208X","","","0.71073","MoKα","","0.0596","0.0364","","0.0898","0.0777","","","","1.007","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004714","11.873","0.002","14.322","0.004","17.541","0.006","90","","90","","90","","2982.8","1.4","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","DE1005","Ghosh, K.; Pramanik, A.","(1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone","Acta Crystallographica Section C","1996","52","4","1029","1030","10.1107/S0108270195013199","","","0.71073","MoKα","","","0.0708","","","0.0705","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004715","14.8793","0.0007","8.9205","0.0006","7.2837","0.0004","90","","90","","90","","966.77","0.1","294","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H11 Cl N2 O S -","- C6 H11 Cl N2 O S -","- C24 H44 Cl4 N8 O4 S4 -","4","1","DE1010","Seth, S.; Das, A. K.; Mak, T. C. W.","An Unusual C(<i>sp</i>^2^)—H···Cl Interaction in the Solid State: Reinvestigation of 4,6-Dimethylpyrimidine-2-thione Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","4","910","913","10.1107/S0108270195012388","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004716","12.462","0.002","7.722","0.002","15.453","0.003","90","","110.16","0.03","90","","1396","0.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenylamino-N,N-diacetato-N,O,O']zinc(II)","","- C12 H17 N O6 Zn -","- C12 H17 N O6 Zn -","- C48 H68 N4 O24 Zn4 -","4","1","DE1012","Hidalgo, M. A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.; Romerosa, A.","Diaqua(2-ethylphenyliminodiacetato-<i>N</i>,<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","1996","52","4","810","812","10.1107/S0108270195014132","","","0.71069","MoKα","","0.1939","0.0387","","0.1819","0.042","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004717","13.939","0.007","12.21","0.008","9.298","0.003","106.62","0.03","88.96","0.02","114.32","0.05","1372.8","1.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Ca N4 O18 -","- C20 H22 Ca N4 O18 -","- C40 H44 Ca2 N8 O36 -","2","1","DE1013","","Dimeric Aqua(3,5-dinitrobenzoato)(triethylene glycol)calcium(II) 3,5-Dinitrobenzoate Hydrate","Acta Crystallographica C","1996","52","","786","789","10.1107/S0108270195013187","","","0.71073","MoKα","","","0.065","","","0.058","","","","","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004718","5.964","0.003","27.04","0.02","11.376","0.006","90","","94.42","0.05","90","","1829.1","1.9","293","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H23 Ag N2 O S4 W -","- C9 H23 Ag N2 O S4 W -","- C36 H92 Ag4 N8 O4 S16 W4 -","4","1","DE1020","Huang, Q.; Wu, X.; Wang, Q.; Sheng, T.","The Polymeric Cluster Complex {[(CH~3~CH~2~)~3~NH][WAgS~4~].(DMF)}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","795","797","10.1107/S0108270195013758","","","0.71069","MoKα","","","0.0448","","","0.0498","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004719","14.692","0.002","13.88","0.001","9.759","0.001","90","","90","","90","","1990.1","0.4","293","2","293","","","","","","","","","5","P m n 21","P 2ac -2","31","2:1 complex (N-cyclopentyl-4-phenylpyridinium bromide : 4-phenylpyridine)","","","- C43 H48 Br3 N3 O -","- C43 H47 Br3 N3 O -","- C86 H94 Br6 N6 O2 -","2","0.5","DU1122","Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N.","An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex","Acta Crystallographica Section C","1996","52","4","1033","1036","10.1107/S010827019501362X","","","1.54178","CuKα","","0.0562","0.0447","","0.1119","0.0997","","","","1.085","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004720","9.199","0.001","5.731","0.003","28.812","0.006","90","","95.08","0.01","90","","1513","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","DU1133","Kammoun, M.; Hajjem, B.; Jouini, T.; Baccar, B.","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","Acta Crystallographica Section C","1996","52","4","1006","1007","10.1107/S0108270195013709","","","0.71069","MoKα","","0.0551","0.0401","","0.0955","0.0897","","","","1.179","1.254","1.254","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004721","8.411","0.002","14.454","0.003","15.8","0.003","90","","91.32","0.03","90","","1920.3","0.7","119","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C40 H74 Cl10 Fe6 O16 P8 Si4 -","2","1","FG1051","Simons, R. S.; Tessier, C. A.","[Fe~2~(CO)~4~(PMe~3~)~4~(μ-H)(μ-SiCl~2~)][Fe(CO)~4~(SiCl~3~)]","Acta Crystallographica Section C","1996","52","4","840","842","10.1107/S0108270195013825","","","0.71073","MoKα","","","0.0398","","","0.0432","","","","","1.03","1.03","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004722","25.497","0.002","9.208","0.002","18.012","0.002","90","","129.78","0.02","90","","3249.9","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 O2 Sb -","- C18 H17 O2 Sb -","- C144 H136 O16 Sb8 -","8","1","FG1062","Pankaj, S.; Rosas, N.; Espinosa-Pérez, G.; Cabrera, A.","Triphenylstibine Dihydroxide","Acta Crystallographica Section C","1996","52","4","889","891","10.1107/S0108270195013898","","","0.71073","MoKα","","","0.0591","","","0.0673","","","","","1.24","1.24","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2004723","7.365","0.002","9.102","0.003","11.165","0.003","77.52","0.03","73.47","0.02","71.27","0.03","673.1","0.4","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","1","0.5","FG1078","Haendler, H. M.","A Manganese Quinaldinate Complex: <i>trans</i>-[Diaquabis(2-quinolinecarboxylato)manganese(II)]‒Water‒Ethanol (1/2/2)","Acta Crystallographica Section C","1996","52","4","801","803","10.1107/S0108270195013904","","","0.71073","MoKα","","","0.045","","","0.065","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004724","25.109","0.002","18.557","0.004","18.436","0.007","90","","134.85","0.02","90","","6090","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-triaquocalcium-1,4,7,10-tetraazacyclododecane- N,N',N"",N'''-tetraaceto calcium hydrate","","- C16 H45.4 Ca2 N4 O18.7 -","- C16 H42.3 Ca2 N4 O18.65 -","- C128 H338.4 Ca16 N32 O149.2 -","8","1","FG1080","Anderson, O. P.; Reibenspies, J. H.","{Ca(OH~2~)~3~[Ca(DOTA)].7.7H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","792","795","10.1107/S0108270195013916","","","0.71073","MoKα","","0.0976","0.0681","","0.2066","0.1999","","","","1.317","1.483","1.483","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004725","19.403","0.005","6.555","0.001","19.512","0.006","90","","97.38","0.02","90","","2461.1","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","triaquabis(O,O'-hydrogenoxalate) (O,O'-oxalate)(μ^3^-sulfide)tris(μ^2^-sulfide)trimolybdenum(IV)","","- C10 H20 Mo3 O17 S4 -","- C10 H4 Mo3 O17 S4 -","- C40 H16 Mo12 O68 S16 -","4","1","FG1088","Cotton, F. A.; Daniels, L. M.; Shang, M.; Llusar, R.; Schwotzer, W.","A Trinuclear Cluster of Molybdenum(IV), Mo~3~(μ~3~-S)(μ~2~-S)~3~(HC~2~O~4~)~2~(C~2~O~4~)(H~2~O)~3~","Acta Crystallographica Section C","1996","52","4","835","838","10.1107/S0108270195013928","","","0.71073","MoKα","","0.1637","0.0514","","0.1027","0.0931","","","","0.825","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004726","5.934","0.002","9.237","0.002","17.512","0.005","90","","90","","90","","959.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JLG-244","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,2.0]heptan-3-one","","- C7 H10 N4 O5 -","- C7 H10 N4 O5 -","- C28 H40 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.0429","0.0333","","0.0904","0.0831","","","","1.071","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004727","7.306","0.001","10.83","0.002","11.525","0.002","90","","91.3","0.02","90","","911.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,1.0]hexan-3-one","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.1062","0.0547","","0.1526","0.1233","","","","1.032","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004728","13.746","0.001","14.137","0.002","19.039","0.003","90","","94.1","0.01","90","","3690.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cd Cl N2 P S4 -","- C34 H40 Cd Cl N2 P S4 -","- C136 H160 Cd4 Cl4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0631","0.0358","","0.0804","0.0692","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004729","13.858","0.002","14.159","0.003","19.25","0.003","90","","93.87","","90","","3768.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Br Cd N2 P S4 -","- C34 H40 Br Cd N2 P S4 -","- C136 H160 Br4 Cd4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0963","0.0567","","0.1508","0.1282","","","","1.072","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004730","15.442","0.003","14.865","0.004","30.383","0.007","90","","90","","90","","6974","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cu2 I2 N6 O2 -","- C32 H32 Cu2 I2 N6 O2 -","- C256 H256 Cu16 I16 N48 O16 -","8","1","FG1121","Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.","Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN","Acta Crystallographica Section C","1996","52","4","804","806","10.1107/S0108270195013953","","","0.71073","MoKα","","0.0639","0.0344","","0.0973","0.0766","","","","1.072","1.016","1.016","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2004731","9.796","0.004","17.725","0.007","6.042","0.001","97.22","0.02","95.7","0.02","104.65","0.03","997.5","0.6","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Br N2 O4 -","- C20 H23 Br N2 O4 -","- C40 H46 Br2 N4 O8 -","2","2","FG1126","Parvez, M.; Rusiewicz, M.","Absolute Configuration of <small>D</small>-Brompheniramine Maleate","Acta Crystallographica Section C","1996","52","4","901","904","10.1107/S0108270195015125","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004732","25.016","0.006","5.881","0.008","11.299","0.008","90","","98.17","0.03","90","","1645","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-bis(2-sulfonatoethyl)-4,4'-bipyridinium monohydrate","","- C14 H18 N2 O7 S2 -","- C14 H18 N2 O7 S2 -","- C56 H72 N8 O28 S8 -","4","0.5","FG1127","Vermeulen, L. A.; Robinson, P. D.","A Photochromic Zwitterionic Viologen: 4,4'-Bipyridinium-1,1'-bis(2-ethylsulfonate) Monohydrate","Acta Crystallographica Section C","1996","52","4","984","986","10.1107/S0108270195013989","","","0.71069","MoKα","","","0.044","","","0.052","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004733","5.525","0.002","10.968","0.003","30.003","0.005","90","","91.01","0.03","90","","1817.8","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N3 -","- C19 H21 Cl2 N3 -","- C76 H84 Cl8 N12 -","4","1","FG1128","Parvez, M.","Clemizole Hydrochloride","Acta Crystallographica Section C","1996","52","4","904","905","10.1107/S0108270195015113","","","0.71069","MoKα","","","0.0663","","","0.0647","","","","","2.967","2.967","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004734","11.721","0.001","13.156","0.001","14.278","0.001","90","","95.1","0.01","90","","2193","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 O4 P -","- C28 H21 O4 P -","- C112 H84 O16 P4 -","4","1","HA1100","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Manohar, H.","8-(3-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>;1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-oxide","Acta Crystallographica Section C","1996","52","4","1052","1054","10.1107/S0108270195013886","","","0.71069","MoKα","","","0.04","","","0.048","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004735","4.987","0.005","9.998","0.003","20.567","0.001","101.81","0.02","94.21","0.02","94.95","0.02","995.6","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N8 O8 -","- C17 H16 N8 O8 -","- C34 H32 N16 O16 -","2","1","HA1101","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)","Acta Crystallographica Section C","1996","52","4","1054","1056","10.1107/S0108270195013874","","","0.71069","MoKα","","","0.06","","","0.066","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004736","20.417","0.004","7.711","0.002","16.719","0.003","90","","113.71","0.02","90","","2410","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 O4 -","- C11 H10 N4 O4 -","- C88 H80 N32 O32 -","8","2","HA1102","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","1-(2,4-Dinitrophenyl)-3,5-dimethylpyrazole","Acta Crystallographica Section C","1996","52","4","1056","1058","10.1107/S0108270195013862","","","0.71069","MoKα","","","0.055","","","0.061","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004737","22.516","0.005","6.937","0.001","17.469","0.004","90","","101.51","0.02","90","","2673.7","1","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N O5.5 P -","- C10 H19 N O5.5 P -","- C80 H152 N8 O44 P8 -","8","1","HA1103","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","3-Hydroxy-6-methyl-2-pyridylmethyl Isopropylphosphonate Sesquihydrate","Acta Crystallographica Section C","1996","52","4","1058","1060","10.1107/S0108270195013850","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004738","4.863","0.002","10.804","0.001","20.139","0.005","90","","96.19","0.03","90","","1051.9","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-nitrophenyl)-4-piperidinol","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","HA1146","Tomlin, D. W.; Bunning, T. J.; Price, G. E.; Fratini, A. V.; Adams, W. W.","1-(4-Nitrophenyl)-4-piperidinol","Acta Crystallographica Section C","1996","52","4","1000","1002","10.1107/S0108270195014545","","","0.71073","MoKα","","","0.064","","","0.041","","","","","1.376","1.376","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004739","7.565","0.001","12.046","0.001","13.701","0.001","90","","90","","90","","1248.5","0.2","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl2 Pd S3 -","- C7 H14 Cl2 Pd S3 -","- C28 H56 Cl8 Pd4 S12 -","4","1","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.026","","","0.026","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004740","18.117","0.001","11.608","0.001","13.611","0.001","90","","96.4","0.01","90","","2844.6","0.4","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H42 Cl2 O7 Pd S6 -","- C14 H44 Cl O6 Oc2 Pd S6 -","- C56 H176 Cl4 O24 Oc8 Pd4 S24 -","4","0.5","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.035","","","0.042","","","","","2.66","2.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004741","9.395","0.007","14.373","0.008","14.53","0.005","89.11","0.04","88.27","0.04","86.79","0.04","1957.9","1.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N4 S Se2 -","- C19 H18 N4 S Se2 -","- C76 H72 N16 S4 Se8 -","4","2","HR1038","Billing, D. G.; Boeyens, J. C. A.; Cook, L. M.; Lai, L.-L.; Reid, D. H.","5,6,7,8-Tetrahydro-2,3-diphenyl-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1[2<i>H</i>],4[3<i>H</i>]-diselone","Acta Crystallographica Section C","1996","52","4","970","973","10.1107/S0108270195012637","","","0.71073","MoKα","","","0.0791","","","0.1052","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004742","7.573","0.002","21.152","0.005","11.756","0.002","90","","90","","90","","1883.1","0.7","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C80 H56 N8 O32 -","8","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.066","","","0.066","","","","","1.949","1.949","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004743","7.079","0.004","8.949","0.005","15.893","0.007","90","","98.84","0.04","90","","994.9","0.9","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.046","","","0.046","","","","","0.756","0.756","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004744","7.336","0.006","10.95","0.003","14.693","0.005","100.79","0.03","104.5","0.05","83.53","0.06","1119.8","1.1","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O4 -","- C12 H10 N O4 -","- C48 H40 N4 O16 -","4","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.064","","","0.064","","","","","1.115","1.115","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004745","6.574","0.004","4.899","0.002","37.413","0.013","90","","95.18","0.03","90","","1200","1","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H12 N O4 -","- C52 H48 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.072","","","0.072","","","","","1.595","1.595","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004746","21.055","0.008","4.662","0.001","28.067","0.009","90","","105.22","0.03","90","","2658.4","1.5","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H15 N O4 -","- C14 H14 N O4 -","- C112 H112 N8 O32 -","8","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71073","Mo","","","0.08","","","0.08","","","","","1.835","1.835","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004747","5.054","0.001","14.747","0.005","12.568","0.003","90","","92.88","0.02","90","","935.5","0.4","295","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.056","","","0.056","","","","","1.184","1.184","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004748","4.8853","0.001","15.68","0.004","12.793","0.003","90","","92.21","0.02","90","","979.2","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-propanamidoperbenzoic","p-propanamidoperbenzoic acid","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","0.0855","0.0412","","0.1339","0.118","","","","0.827","0.977","0.977","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004749","10.75","0.003","14.477","0.006","6.875","0.003","90","","90","","90","","1069.9","0.7","295","","","","","","","","","","","4","P b c m","-P 2c 2b","","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.054","","","0.054","","","","","0.88","0.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004750","10.729","0.005","14.026","0.007","8.654","0.003","90","","111.59","0.03","90","","1210.9","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.068","","","0.068","","","","","1.286","1.286","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004751","9.558","0.002","20.676","0.004","9.591","0.002","90","","90","","90","","1895.4","0.7","130","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bis(tert-butyl acetoacetato)aquocopper(II)","","- C16 H28 Cu O7 -","- C16 H28 Cu O7 -","- C64 H112 Cu4 O28 -","4","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0616","0.0386","","0.1086","0.0924","","","","1.015","0.985","0.985","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004752","10.175","0.002","10.939","0.002","11.469","0.002","90","","112.06","0.03","90","","1183.1","0.5","130","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(dipivaloylmethanido)copper(II) ?","","- C22 H38 Cu O4 -","- C22 H38 Cu O4 -","- C44 H76 Cu2 O8 -","2","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0778","0.0462","","0.1455","0.1182","","","","0.811","0.787","0.787","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004753","7.502","0.005","8.32","0.006","11.809","0.006","87","0.05","89.76","0.05","69.65","0.06","690","0.8","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuranol)titanium(III)","","- C9 H18 Cl3 O3 Ti -","- C9 H18 Cl3 O3 Ti -","- C18 H36 Cl6 O6 Ti2 -","2","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0267","","","0.0689","","","","","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004754","9.074","0.008","12.553","0.009","15.65","0.02","90","","131.06","0.12","90","","1344","3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuroxide)titanium(IV)","","- C9 H17 Cl3 O3 Ti -","- C9 H17 Cl3 O3 Ti -","- C36 H68 Cl12 O12 Ti4 -","4","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0233","","","0.0629","","","","","1.107","1.107","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004755","7.89","0.001","11.752","0.001","17.028","0.001","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-tert-Butyloxycarbonyl-6(S)-hydroxymethyl-3(S)-methylethyl- piperazin-2-one","","- C13 H24 N2 O4 -","- C13 H24 N2 O4 -","- C52 H96 N8 O16 -","4","1","JZ1074","Kolter, T.; Rübsam, F.; Giannis, A.; Nieger, M.","4-<i>tert</i>-Butyloxycarbonyl-6(<i>S</i>)-(hydroxymethyl)-3(<i>S</i>)-(1-methylethyl)piperazin-2-one","Acta Crystallographica Section C","1996","52","4","978","980","10.1107/S0108270195013278","","","1.54178","CuKα","","0.0921","0.0674","","0.2097","0.1845","","","","1.042","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004756","10.545","0.002","12.924","0.002","14.856","0.002","90.6","0.01","100.06","0.01","99.47","0.01","1964.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Cis-Diaquabis(1,10-phenanthroline-N,N')Zinc(II) Di(thiosulfate-S-)(1,10-phenanthroline-N,N'-)Zincate(II) Hydrate","","- C36 H30 N6 O9 S4 Zn2 -","- C36 H30 N6 O8.997 S3.998 Zn2 -","- C72 H60 N12 O17.994 S7.996 Zn4 -","2","1","JZ1082","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","<i>cis</i>-Diaquabis(1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II) (1,10-Phenanthroline-<i>N</i>,<i>N</i>')bis(thiosulfato-<i>S</i>)zincate(II) Monohydrate","Acta Crystallographica Section C","1996","52","4","820","823","10.1107/S010827019501359X","","","0.71073","MoKα","","0.0658","0.0458","","0.1333","0.1183","","","","0.986","1.012","1.012","","","","","has coordinates,has disorder","199684","2020-10-21","18:00:00",""
"2004757","8.694","0.001","11.344","0.002","11.636","0.003","74.29","0.02","87.43","0.02","70.66","0.02","1041.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","","- Al2 H27 Na9 O21 -","- Al2 H27 Na9 O21 -","- Al4 H54 Na18 O42 -","2","1","JZ1084","Zabel, V.; Schneider, M.; Weinberger, M.; Gessner, W.","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","Acta Crystallographica Section C","1996","52","4","747","749","10.1107/S0108270195015277","","","0.71073","MoKα","","0.0587","0.032","","0.0823","0.0728","","","","1.052","1.135","1.135","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004758","21.316","0.011","12.296","0.007","20.686","0.008","90","","109.98","0.06","90","","5096","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs8 F10 Fe15 O48 P12 -","- Cs8 F10 Fe15 O48 P12 -","- Cs32 F40 Fe60 O192 P48 -","4","0.5","JZ1087","Frenzen, G.; Yakubovich, O. V.; Mel'nikov, O. K.","A New Synthetic Fluoride Phosphate of Mixed-Valence Iron: Cs~8~Fe~8~^3+^Fe~7~^2+^F~10~(PO~4~)~12~","Acta Crystallographica Section C","1996","52","4","749","753","10.1107/S0108270195015472","","","0.71073","MoKα","","0.0472","0.0357","","0.0899","0.0847","","","","1.077","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004759","12.007","0.003","18.708","0.005","31.213","0.01","90","","90","","90","","7011","3","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone","","- C27 H24 F12 N12 O P2 Ru -","- C27 H24 F12 N12 O P2 Ru -","- C216 H192 F96 N96 O8 P16 Ru8 -","8","0.5","JZ1090","Breu, J.; Belser, P.; Yersin, H.","Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate","Acta Crystallographica Section C","1996","52","4","858","861","10.1107/S0108270195014156","","","0.71069","MoKα","","0.0497","0.0387","","0.118","0.1109","","","","0.981","1.056","1.056","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004760","12.6439","0.0015","13.677","0.002","17.107","0.003","67.357","0.01","85.069","0.012","86.429","0.01","2718.8","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","Bis(triphenylphosphine)iminiumnitrito(phthalocyaninato)zincate Hydrate","","","- C68 H48 N10 O3 P2 Zn -","- C68 H48 N10 O3 P2 Zn -","- C136 H96 N20 O6 P4 Zn2 -","2","1","JZ1091","Assmann, B.; Sievertsen, S.; Homborg, H.","Bis(triphenylphosphine)iminium Nitrito(phthalocyaninato)zincate Hydrate","Acta Crystallographica Section C","1996","52","4","876","879","10.1107/S0108270195014351","","","0.71069","MoKα","","0.0412","0.0295","","0.0776","0.0726","","","","1.04","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004761","14.063","0.003","5.267","0.0005","18.941","0.003","90","","98.387","0.014","90","","1388","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,6'-Diphenyl-3,3'-bis-1,2,4,5-tetrazine","","- C16 H10 N8 -","- C16 H10 N8 -","- C64 H40 N32 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene‒Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","0.71069","MoKα","","0.1055","0.0378","","0.0886","0.0724","","","","0.745","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004762","6.53","0.0003","8.6338","0.0006","27.7016","0.0009","90","","96.052","0.003","90","","1553.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde-benzoylhydrazone monohydrate","","- C16 H14 N6 O2 -","- C16 H14 N6 O2 -","- C64 H56 N24 O8 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene‒Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","1.5418","CuKα","","0.1345","0.0428","","0.1186","0.0994","","","","0.808","1.005","1.005","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004763","9.236","0.002","11.236","0.002","9.283","0.002","90","","90.44","0.02","90","","963.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","Quecksilberdiiodid.(18-Krone-6)","1,4,7,10,13,16-Hexaoxacyclooctadecan-Quecksilberdiiodid","","- C12 H24 Hg I2 O6 -","- C12 H24 Hg I2 O6 -","- C24 H48 Hg2 I4 O12 -","2","0.25","JZ1095","El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F.","Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~","Acta Crystallographica Section C","1996","52","4","818","820","10.1107/S0108270195014697","","","0.71069","MoKα","","0.0203","0.0175","","0.0394","0.0388","","","","1.068","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004764","10.5458","0.0009","12.4347","0.001","12.5963","0.0012","65.749","0.009","85.167","0.008","68.828","0.007","1400.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium trans-Tetrabromoaquacarbonylosmate(III)","","- C25 H22 Br4 O2 Os P -","- C25 H22 Br4 O2 Os P -","- C50 H44 Br8 O4 Os2 P2 -","2","1","JZ1098","Höhling, M.; Preetz, W.","Tetraphenylphosphonium <i>trans</i>-Aquatetrabromo(carbonyl)osmate(III), <i>trans</i>-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]","Acta Crystallographica Section C","1996","52","4","863","865","10.1107/S0108270195014259","","","0.71069","MoKα","","0.0683","0.0298","","0.0725","0.0556","","","","1.162","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004765","16.897","0.002","4.9442","0.0005","12.295","0.001","90","","103.418","0.009","90","","999.11","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cobalt Silicon Diphosphate","","- Co2 O14 P4 Si -","- Co2 O14 P4 Si -","- Co8 O56 P16 Si4 -","4","0.5","JZ1108","Glaum, R.; Schmidt, A.","Cobalt Silicon Diphosphate, Co~2~Si(P~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","4","762","764","10.1107/S0108270195016982","","","0.71069","MoKα","","0.0398","0.02","","0.0505","0.046","","","","1.047","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004766","5.938","0.001","10.206","0.002","16.447","0.004","90","","90","","90","","996.7","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.036","","","0.036","","","","","5.15","5.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004767","5.7","0.0007","10.7002","0.0009","16.142","0.001","90","","90","","90","","984.52","0.16","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.035","","","0.03","","","","","3.877","3.877","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004768","6.097","0.007","6.804","0.005","16.92","0.02","90","","97.66","0.06","90","","695.6","1.3","295","3","295","3","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate","","- C9 H16 N2 O7 S -","- C9 H16 N2 O7 S -","- C18 H32 N4 O14 S2 -","2","1","KA1146","Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M.","(2<i>R</i>,3<i>R</i>)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon","Acta Crystallographica Section C","1996","52","4","988","991","10.1107/S0108270195014077","","","0.71073","MoKα","","","0.0408","","","0.0431","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004769","18.847","0.003","13.715","0.002","17.543","0.003","90","","95.93","0.04","90","","4510.4","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Iodo-tris(triphenylphosphine)silver(I)","","- C54 H45 Ag I P3 -","- C54 H45 Ag I P3 -","- C216 H180 Ag4 I4 P12 -","4","1","KA1149","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.; Jones, P. W.","Iodotris(triphenylphosphine)silver(I), [Ag(PPh~3~)~3~I]","Acta Crystallographica Section C","1996","52","4","884","887","10.1107/S0108270195015228","","","0.71069","MoKα","","0.0558","0.0489","","0.1177","0.116","","","","1.011","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004770","10.433","0.002","33.313","0.001","9","0.004","90","","90","","90","","3128","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-p-bromobenzoyl-salvileucolide-methylester","","","- C33 H43 Br O7 -","- C33 H43 Br O7 -","- C132 H172 Br4 O28 -","4","1","KA1151","Linden, A.; Juch, M.; Rüedi, P.","Absolute Configuration of 6-<i>O</i>-<i>p</i>-Bromobenzoylsalvileucolide Methyl Ester","Acta Crystallographica Section C","1996","52","4","933","935","10.1107/S0108270195014089","","","0.71069","MoKα","","0.1563","0.0511","","0.0433","0.036","","","","","1.458","1.458","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004771","16.013","0.006","11.86","0.006","9.643","0.002","90","","98.5","0.02","90","","1811.2","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bisphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.0484","0.0436","","0.1219","0.1071","","","","1.022","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004772","11.832","0.009","13.797","0.005","12.954","0.007","90","","112.51","0.04","90","","1954","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-cyclohexanediyl)bis(nitriloethylidyne)]bisphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.1343","0.0451","","0.286","0.0896","","","","0.688","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004773","7","0.004","30.605","0.005","7.151","0.003","90","","110.32","0.04","90","","1436.7","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","KA1158","Böcskei, Z.; Simon, K.; Varga, M.; Hermecz, I.","Ipriflavone, an Antiostheophorotic Agent","Acta Crystallographica Section C","1996","52","4","1022","1024","10.1107/S0108270195015241","","","1.5418","CuKα","","0.1986","0.0741","","0.3279","0.2047","","","","1.033","1.101","1.101","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004774","17.0989","0.0022","10.4699","0.0018","17.7115","0.0024","90","","109.721","0.008","90","","2984.8","0.8","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 N4 O2 Sn2 -","- C32 H34 Cl N2 O Sn -","- C128 H136 Cl4 N8 O4 Sn4 -","4","1","KA1159","Hazell, A.; Hu, H.; Khoo, L. E.","Chloro{2-[2-(dimethylamino)ethyliminomethyl]phenol}triphenyltin(IV) Benzene Hemisolvate, [SnCl(C~6~H~5~)~3~(C~11~H~16~N~2~O)].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","4","873","876","10.1107/S0108270195014107","","","0.71073","MoKα","","","0.033","","","0.042","","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004775","8.678","0.003","16.152","0.002","8.421","0.001","90","","112.75","0.01","90","","1088.5","0.4","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cl2 Cu N4 O8 -","- C14 H32 Cl2 Cu N4 O8 -","- C28 H64 Cl4 Cu2 N8 O16 -","2","0.5","KH1042","Wang, A.; Lee, T.-J.; Chi, T.-Y.; Liao, F.-L.; Liu, G.-S.; Chung, C.-S.","Diperchlorato[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-(5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)]copper(II)","Acta Crystallographica Section C","1996","52","4","806","807","10.1107/S0108270195012704","","","0.71073","MoKα","","","0.0492","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004776","27.395","0.008","10.804","0.003","19.201","0.003","90","","126.54","0.02","90","","4566","2","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cu4 N6 S10 -","- C36 H42 Cu4 N6 S10 -","- C144 H168 Cu16 N24 S40 -","4","0.5","KH1046","Li, H.; Sheng, T.; Huang, Q.; Wu, X.","Tetrakis(3-methylpyridine)-1κ<i>N</i>,2κ<i>N</i>,3κ<i>N</i>,4κ<i>N</i>-bis(μ~4~-pentathio)-1:2κ^2^<i>S</i>^1^,2κ<i>S</i>^4^,3κ<i>S</i>^2^,3:4κ^2^<i>S</i>^5^;1κ<i>S</i>^4'^,1:3κ^2^<i>S</i>^1'^,2:4κ^2^<i>S</i>^5'^,4κ<i>S</i>^2'^-tetracopper(I) Bis(3-methylpyridine) Solvate","Acta Crystallographica Section C","1996","52","4","887","889","10.1107/S0108270195011462","","","0.71073","MoKα","","","0.049","","","0.068","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004777","20.738","0.007","9.791","0.003","30.251","0.01","90","","90","","90","","6142","3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine","","- C33 H33 N7 O2 -","- C33 H33 N7 O2 -","- C264 H264 N56 O16 -","8","1","KH1056","Shin, W.; Yoon, T.-S.; Yoo, S. E.","A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine","Acta Crystallographica Section C","1996","52","4","1019","1022","10.1107/S0108270195011978","","","1.5418","CuKα","","0.2565","0.1066","","0.3363","0.2575","","","","1.327","1.824","1.824","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004778","8.943","0.001","9.222","0.002","17.184","0.002","90","","90.53","0.01","90","","1417.1","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Diammine-bis(pyrazole)platinum(II) nitrate","","- C6 H14 N8 O6 Pt -","- C6 H14 N8 O6 Pt -","- C24 H56 N32 O24 Pt4 -","4","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0391","","","0.0377","","","","","3.18","3.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004779","10.049","0.002","7.531","0.003","12.298","0.001","90","","98.89","0.01","90","","919.5","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-Diammine-bis(pyrazole)platinum(II) nitrate pyrazole","","- C9 H18 N10 O6 Pt -","- C9 H18 N10 O6 Pt -","- C18 H36 N20 O12 Pt2 -","2","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0383","","","0.0248","","","","","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004780","7.428","0.002","18.238","0.002","12.4692","0.0014","90","","90.743","0.016","90","","1689.1","0.5","298","3","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N4 O3 Tc -","- C14 H25 N4 O3 Tc -","- C56 H100 N16 O12 Tc4 -","4","1","KH1061","Tsai, C.-S.; Lu, T.-H.; Duh, J.-Y.; Yeh, S.-J.","(<i>meso</i>-4,8-Diaza-3,9-dimethyl-6,6-trimethyleneundecane-2,10-dione dioximato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')oxotechnetium(V), [TcO(C~14~H~25~N~4~O~2~)]","Acta Crystallographica Section C","1996","52","4","838","840","10.1107/S0108270195014181","","","0.71073","MoKα","","","0.032","","","0.051","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004781","12.12","0.003","18.425","0.003","7.11","0.006","90","","90","","90","","1587.7","1.4","296","","296","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","Di-μ-pyrazolato-bis[(2,2'-bipyridine)platinum(II)] tetrafluoroborate monohydrate","","- C26 H24 B2 F8 N8 O Pt2 -","- C25 H21 B F6 N8 O0.25 Pt -","- C50 H42 B2 F12 N16 O0.5 Pt2 -","2","0.25","KH1064","Sakai, K.; Sato, T.; Tsubomura, T.; Matsumoto, K.","Di-(μ-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)] Bis(tetrafluoroborate) Monohydrate","Acta Crystallographica Section C","1996","52","4","783","786","10.1107/S0108270195014326","","","0.71069","MoKα","","","0.0577","","","0.0334","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004782","11.494","0.001","6.263","0.001","12.479","0.001","90","","111.01","0.01","90","","838.6","0.18","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","MU1207","Vencato, I.; Neves, A.; Ceccato, A. S.; Horn, Jnr, A.","<i>N</i>,<i>N</i>-Bis(2-hydroxybenzyl)-<i>N</i>-(2-pyridylmethyl)amine, H~2~BBPA","Acta Crystallographica Section C","1996","52","4","949","951","10.1107/S0108270195014739","","","0.71073","MoKα","","0.129","0.073","","","0.074","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004783","12.67","0.01","15.73","0.01","17.471","0.009","90","","102.76","0.05","90","","3396","4","150","","423.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H44 Cl2 O2 P4 Pt -","- C31 H44 Cl2 O2 P4 Pt -","- C124 H176 Cl8 O8 P16 Pt4 -","4","1","MU1219","Chiffey, A. F.; Evans, J.; Levason, W.; Reid, G.","[Pt(PMe~3~)~2~(dppm)]Cl~2~.2H~2~O [dppm = Bis(diphenylphosphino)methane]","Acta Crystallographica Section C","1996","52","4","799","801","10.1107/S0108270195014570","","","0.71073","MoKα","","0.097","0.071","","0.083","0.08","","","","4.07","4.28","4.28","","","","","has coordinates","208382","2020-10-21","18:00:00",""
"2004784","6.992","0.003","13.356","0.005","9.521","0.003","90","","104.05","0.03","90","","862.5","0.6","150","","423.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mo O10 P2 -","- C10 H18 Mo O10 P2 -","- C20 H36 Mo2 O20 P4 -","2","0.5","MU1224","Champness, N. R.; Hopkins, A. M.; Reid, G.","<i>trans</i>-[Mo(CO)~4~{P(OMe)~3~}~2~]","Acta Crystallographica Section C","1996","52","4","797","799","10.1107/S010827019501479X","","","0.71073","MoKα","","0.0314","0.029","","0.0365","0.0363","","","","2.87","3.083","3.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004785","10.224","0.001","21.514","0.002","10.23","0.001","90","","90","","90","","2250.2","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylbis(O-cyclohexyldithiocarbonato)tin(IV).","","- C16 H28 O2 S4 Sn -","- C16 H28 O2 S4 Sn -","- C64 H112 O8 S16 Sn4 -","4","0.5","MU1227","Mohamed-Ibrahim, M. I.; Khor, C.-K.; Fun, H.-K.; Sivakumar, K.","Bis(<i>O</i>-cyclohexyl dithiocarbonato)dimethyltin(IV)","Acta Crystallographica Section C","1996","52","4","845","846","10.1107/S0108270195015009","","","0.71073","MoKα","","0.0749","0.0668","","0.1605","0.1577","","","","1.157","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004786","14.04","0.001","10.222","0.001","25.699","0.003","90","","93.63","0.01","90","","3680.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinedithiocarbamatobis(triphenylphosphine)silver(I).","","- C41 H38 Ag N P2 S2 -","- C41 H38 Ag N P2 S2 -","- C164 H152 Ag4 N4 P8 S8 -","4","1","MU1228","Othman, A. H.; Fun, H.-K.; Sivakumar, K.","(<i>N</i>-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","4","843","845","10.1107/S0108270195014806","","","0.71073","MoKα","","0.0589","0.041","","0.1763","0.1111","","","","1.032","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004787","7.162","0.001","20.033","0.002","10.611","0.001","90","","107.21","0.01","90","","1454.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-Methoxybenzaldehyde Nictonylhydrazone Dihydrate.","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","MU1230","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-Methoxybenzaldehyde Nicotinoylhydrazone Dihydrate","Acta Crystallographica Section C","1996","52","4","986","988","10.1107/S010827019501540X","","","0.71073","MoKα","","0.0603","0.0466","","0.1426","0.1345","","","","1.063","1.181","1.181","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004788","6.11","0.001","14.106","0.001","16.609","0.0009","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-phenyl-4,5-dimethoxy-2,7,8,9-tetrahydroisoquinolinium","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1134","","X-ray Structure Investigations of Potential β-Blockers. II. 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica C","1996","52","","1038","1040","10.1107/S0108270195013606","","","1.54178","CuKα","","0.0603","0.0429","","0.1221","0.1055","","","","1.276","1.275","1.275","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004789","13.718","0.001","7.4307","0.0003","18.4638","0.0009","90","","91.524","0.005","90","","1881.43","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 Cl2 N4 O6 Zn -","- C16 H16 Cl2 N4 O6 Zn -","- C64 H64 Cl8 N16 O24 Zn4 -","4","0.5","NA1184","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Dichlorobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","4","808","810","10.1107/S0108270195015186","","","0.71073","MoKα","","0.0275","0.0234","","0.0617","0.0599","","","","1.061","1.081","1.081","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004790","6.595","0.002","9.964","0.002","17.821","0.002","90","","94.76","0.02","90","","1167","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 Sn2 -","- C18 H24 N2 O4 Sn2 -","- C36 H48 N4 O8 Sn4 -","2","0.5","NA1192","Stocco, G.; Guli, G.; Girasolo, M. A.; Bruno, G.; Nicolò, F.; Scopelliti, R.","Poly[<i>trans</i>-bis{trimethyltin(IV)}-μ-(2,2'-bipyridyl-4,4'-dicarboxylato-<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')]. A Layered Structure Composed of Sheets Interconnected by Organometallic Moieties","Acta Crystallographica Section C","1996","52","4","829","832","10.1107/S0108270195013400","","","0.71073","MoKα","","","0.0219","","","0.0295","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004791","7.569","0.001","11.557","0.002","12.158","0.003","61.84","0.01","88.74","0.02","84.59","0.01","933.2","0.3","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H17 F6 N2 O P Pt S -","- C15 H17 F6 N2 O P Pt S -","- C30 H34 F12 N4 O2 P2 Pt2 S2 -","2","1","NA1193","Bruno, G.; Nicolò, F.; Scopelliti, R.; Arena, G.","(Dimethyl sulfoxide-<i>S</i>)methyl(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","4","827","829","10.1107/S0108270195013394","","","0.71073","MoKα","","","0.0213","","","0.0497","","","","","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004792","11.388","0.004","19.834","0.006","13.009","0.005","90","","112.18","0.03","90","","2720.9","1.7","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br N O3 P2 Re -","- C27 H20 Br N O3 P2 Re -","- C108 H80 Br4 N4 O12 P8 Re4 -","4","1","NA1196","Graziani, R.; Casellato, U.","[Bis(diphenylphosphino)amine-<i>P</i>,<i>P</i>']bromotricarbonylrhenium(I), [ReBr(CO)~3~{NH(PPh~2~)~2~}]","Acta Crystallographica Section C","1996","52","4","850","852","10.1107/S0108270195012844","","","0.71073","MoKα","","","0.042","","","0.042","","","","","3.69","3.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004793","7.2894","0.0009","14.221","0.004","17.324","0.005","106.49","0.03","99.47","0.02","93.37","0.01","1687.9","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","","- C26 H36 Ca N6 O18 -","- C26 H36 Ca N6 O18 -","- C52 H72 Ca2 N12 O36 -","2","1","NA1201","","Bis(triethanolamine)calcium 3,5-Dinitrobenzoate","Acta Crystallographica C","1996","52","","789","792","10.1107/S010827019501434X","","","0.71069","MoKα","","0.123","0.062","","0.116","0.08","","","","1.057","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004794","9.648","0.002","21.24","0.01","5.925","0.003","94.23","0.04","106.93","0.03","86.66","0.03","1157.5","0.9","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","2","NA1203","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Amino-3-phenylcoumarin","Acta Crystallographica Section C","1996","52","4","899","901","10.1107/S0108270195014818","","","1.54184","CuKα","","","0.058","","","0.075","","","","","3.45","3.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004795","8.286","0.002","6.824","0.004","11.755","0.004","110.9","0.04","92.05","0.02","92.37","0.04","619.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]- imidazo[4,5-c][1,6]diazecine","","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","1","0.5","NS1004","Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J.","2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate","Acta Crystallographica Section C","1996","52","4","960","962","10.1107/S0108270195011425","","","0.71073","MoKα","","0.132","0.054","","0.065","0.058","","","","1.781","2.469","2.469","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004797","6.847","0.001","10.429","0.002","13.655","0.002","90","","90","","90","","975.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br2.116 Cd Cl0.884 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0113","","","0.0133","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004798","6.825","0.001","10.415","0.002","13.63","0.002","90","","90","","90","","968.9","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.787 Cd Cl1.213 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.015","","","0.017","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004799","6.782","0.001","10.335","0.002","13.572","0.002","90","","90","","90","","951.3","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.183 Cd Cl1.817 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0109","","","0.0126","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004800","6.765","0.001","10.304","0.002","13.544","0.002","90","","90","","90","","944.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.962 Cd Cl2.038 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0107","","","0.012","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004801","6.744","0.001","10.253","0.002","13.517","0.002","90","","90","","90","","934.6","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.607 Cd Cl2.393 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.01","","","0.0113","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004802","6.716","0.001","10.192","0.002","13.476","0.002","90","","90","","90","","922.4","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.286 Cd Cl2.714 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0106","","","0.013","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004803","11.513","0.002","9.806","0.003","14.78","0.004","90","","91.9","0.02","90","","1667.7","0.7","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S3 -","- C17 H15 N O S3 -","- C68 H60 N4 O4 S12 -","4","1","PA1196","Morgant, G.; Labouze, X.; Viossat, B.; Lancelot, J.-C.; Nguyen Huy Dung","2-(2-Aminophénylthio)-2-(2-thiényl)éthyl 2-Thiényl Cétone","Acta Crystallographica Section C","1996","52","4","923","925","10.1107/S0108270195011553","","","0.71073","MoKα","","","0.047","","","0.044","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004804","18.285","0.002","7.726","0.001","16.927","0.002","90","","102.15","0.01","90","","2337.7","0.5","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.0424","","","0.129","","","","","0.786","0.786","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004805","6.033","0.001","8.209","0.003","23.091","0.005","90","","93.55","0.01","90","","1141.4","0.5","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004806","11.507","0.006","12.179","0.001","7.928","0.01","90","","90.03","0.03","90","","1111.1","1.5","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C40 H48 N16 O8 -","4","1","PA1204","Fettouhi, M.; Boukhari, A.; El Otmani, B.; Essassi, E. M.","7-Ethoxycarbonylmethyl-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","1996","52","4","1031","1032","10.1107/S0108270195013680","","","0.71073","MoKα","","","0.041","","","0.059","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004807","5.892","0.003","8.48","0.003","11.509","0.009","90","","90","","90","","575","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-Amino-1,2-dimethylimidazole","5-Amino-1,2-dimethylimidazole","","- C5 H9 N3 -","- C5 H9 N3 -","- C20 H36 N12 -","4","1","PA1207","Jones, R. H.; Lothian, A. P.; Ramsden, C. A.","5-Amino-1,2-dimethylimidazole","Acta Crystallographica Section C","1996","52","4","982","984","10.1107/S0108270195011711","","","0.71069","MoKα","","0.0862","0.0365","","0.0723","0.0569","","","","0.623","0.708","0.708","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004808","5.931","0.002","20.811","0.003","12.479","0.001","90","","98.68","0.03","90","","1522.6","0.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","PT1018","Gunasekaran, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Karunakaran, S.; Kandaswamy, M.","2,2'-Piperazin-1,4-diyldimethylenebis[6-(benzyliminomethyl)-4-methylphenol]","Acta Crystallographica Section C","1996","52","4","1027","1028","10.1107/S0108270195010420","","","1.5418","CuKα","","","0.05","","","0.06","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004809","8.232","0.002","11.599","0.003","12.996","0.004","90","","105.85","0.02","90","","1193.7","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C40 H48 B4 F16 N12 -","4","1","PT1023","Jones, R. A.; Powell, A. K.; Whitmore, A. P.","Identification of the <i>N</i>-Alkylation Product of 3-(2-Pyrrolyl)pyridazine","Acta Crystallographica Section C","1996","52","4","1002","1003","10.1107/S0108270195015307","","","0.71073","MoKα","","","0.061","","","0.105","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004810","4.829","0.001","5.843","0.001","13.61","0.002","83.39","0.01","86.16","0.01","82.63","0.02","377.78","0.12","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","1","1","PT1033","Aakeröy, C. B.; Nieuwenhuyzen, M.","4-Methylbenzylammonium 4-Methylbenzylcarbamate","Acta Crystallographica Section C","1996","52","4","957","960","10.1107/S0108270195013849","","","0.71073","MoKα","","","0.0658","","","0.1714","","","","","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004811","14.663","0.002","16.773","0.003","24.441","0.003","90","","97.3","0.01","90","","5962.4","1.5","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C196 H264 As24 Cl12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.054","","","0.055","","","","","3.03","3.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004812","10.67","0.004","14.742","0.004","26.253","0.003","90","","91.14","0.02","90","","4129","2","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C76 H216 As24 Br12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.034","","","0.025","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004813","10.74","0.002","35.173","0.005","10.057","0.002","90","","90","","90","","3799.1","1.2","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C160 H176 N16 O32 -","4","1","TA1063","Iijima, K.; Irikawa, H.","Trichotomine Dimethyl Ester","Acta Crystallographica Section C","1996","52","4","1003","1006","10.1107/S0108270195015344","","","1.54178","CuKα","","","0.0493","","","0.0514","","","","","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004814","7.8849","0.0012","8.2625","0.0015","9.975","0.002","86.11","0.02","66.88","0.02","65.741","0.013","541.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","7-nitro-8-hydroxyquinoline-5-sulfonic acid monohydrate","","- C9 H8 N2 O7 S -","- C9 H8 N2 O7 S -","- C18 H16 N4 O14 S2 -","2","1","VJ1030","Balasubramanian, T. P.; Thomas Muthiah, P.","8-Hydroxy-7-nitroquinoline-5-sulfonic Acid Monohydrate","Acta Crystallographica Section C","1996","52","4","1017","1019","10.1107/S010827019501170X","","","0.71073","MoKα","","0.0356","0.0302","","0.0818","0.0783","","","","1.084","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004815","10.518","0.002","12.932","0.002","15.048","0.002","90","","97.99","0.02","90","","2026.9","0.6","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C92 H88 N8 O28 -","4","1","VJ1032","","4-[(1-Cyclohexenyl)nitromethyl]-2-(3,4-methylenedioxyphenyl)-3-nitro- 3,4-dihydro-2H-1-benzopyran\δag","Acta Crystallographica C","1996","52","","1036","1038","10.1107/S0108270195013515","","","0.71073","MoKα","","","0.038","","","0.095","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004816","27.253","0.003","6.701","0.005","19.306","0.003","90","","119.782","0.009","90","","3060","2","294.2","","294.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N2 S2 -","- C14 H22 N2 S2 -","- C112 H176 N16 S16 -","8","1","VJ1034","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","3-Cyano-1-[4-(1,3-dithian-2-yl)butyl]-1,4,5,6-tetrahydropyridine","Acta Crystallographica Section C","1996","52","4","1010","1012","10.1107/S010827019501345X","","","0.7107","MoKα","","","0.0474","","","0.0578","","","","","1.868","1.868","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004817","8.2498","0.0009","15.046","0.002","16.45","0.001","90","","90","","90","","2041.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 Ca Cl O16 -","- C12 H29 Ca Cl O16 -","- C48 H116 Ca4 Cl4 O64 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0515","","","0.0595","","","","","0.788","0.788","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004818","8.7037","0.0009","8.7037","0.0009","21.055","0.002","90","","90","","90","","1595","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 K O12 -","- C12 H21 K O12 -","- C48 H84 K4 O48 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0409","","","0.0492","","","","","0.823","0.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004819","9.2358","0.0009","10.4021","0.0006","16.7994","0.0005","90","","90","","90","","1613.95","0.19","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Na O13 -","- C12 H23 Na O13 -","- C48 H92 Na4 O52 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.032","","","0.0574","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004820","12.4263","0.0007","7.6563","0.0009","11.094","0.001","90","","102.073","0.006","90","","1032.13","0.17","293","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H32 Ca O19 -","- C12 H32 Ca O19 -","- C24 H64 Ca2 O38 -","2","0.5","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0264","","","0.0425","","","","","1.765","1.765","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004821","8.4502","0.0009","12.616","0.002","18.219","0.003","90","","92.304","0.009","90","","1940.7","0.5","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O2 Pt S2 -","- C16.12 H20.1 Cl2 O2 Pt S2 -","- C64.48 H80.4 Cl8 O8 Pt4 S8 -","4","1","AB1300","Ebbighausen, J.; Farrell, N.; Lövqvist, K.; Oskarsson, Å.","<i>cis</i>-(<i>R</i>,<i>S</i>)-Bis(benzyl methyl sulfoxide)dichloroplatinum(II)","Acta Crystallographica Section C","1996","52","5","1091","1093","10.1107/S0108270195015733","","","0.7107","MoKα","","","0.0529","","","0.0521","","","","","1.776","1.776","","","","","has coordinates,has disorder","192023","2020-10-21","18:00:00",""
"2004822","16.051","0.002","4.6538","0.001","9.9373","0.0012","90","","106.484","0.009","90","","711.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-GLUTAMINE","DL-GLUTAMINE","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","AB1304","Suresh, S.; Padmanabhan, S.; Vijayan, M.","<small>DL</small>-Glutamine","Acta Crystallographica Section C","1996","52","5","1313","1316","10.1107/S0108270195013771","","","0.71068","MoKα","","0.0619","0.0406","","0.1304","0.1185","","","","1.108","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004823","8.681","0.003","11.772","0.002","23.73","0.006","90","","95.8","0.2","90","","2412.6","1.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O16 Zn2 -","- C48 H52 N4 O16 Zn2 -","- C96 H104 N8 O32 Zn4 -","2","0.5","AB1306","Hökelek, T.; Necefouglu, H.","Bis(μ-4-hydroxybenzoato-<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)(4-hydroxybenzoato-<i>O</i>)zinc(II)] Dihydrate","Acta Crystallographica Section C","1996","52","5","1128","1131","10.1107/S0108270195015976","","","0.71069","MoKα","","","0.0328","","","0.0396","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004824","10.882","0.003","13.295","0.004","10.824","0.002","104.89","0.02","104.95","0.02","68.68","0.02","1386.1","0.7","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Ag3 Cd1.5 N11 O -","- C36 H38 Ag6 Cd3 N22 O2 -","- C36 H38 Ag6 Cd3 N22 O2 -","1","0.5","AB1315","Soma, T.; Iwamoto, T.","Supramolecular Structure of a Cadmium‒Silver Complex Forming a Two-Dimensional Network Embracing One-Dimensional Chains in a Layered Crystal Structure","Acta Crystallographica Section C","1996","52","5","1200","1203","10.1107/S0108270195016118","","","0.71069","MoKα","","","0.0568","","","0.0476","","","","","1.546","1.546","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004825","5.305","0.001","9.486","0.002","11.437","0.003","94.1","0.2","93.8","0.2","93.6","0.2","571.5","0.3","273","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1319","Durruthy Carbonell, O.; Hernandez, R. A.; Roque Infante, E. M.; Au-Alvarez, O.","Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide. Addendum","Acta Crystallographica Section C","1996","52","5","1318","1318","10.1107/S010827019501612X","","","0.71073","MoKα","","","0.0364","","","0.1003","","","","","1.095","1.095","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004826","9.242","0.007","12.304","0.008","18.954","0.009","90","","92.74","0.06","90","","2153","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[dimethyl(2-hydroxyethyl)ammonium] bis[μ-acetato(O,O')- acetato(O,O')-μ-(2-dimethylaminoethanolato-N, μ-O)-μ~3~-oxo-tetraoxo- diuranate(VI)]","","- C24 H56 N4 O22 U4 -","- C24 H56 N4 O22 U4 -","- C48 H112 N8 O44 U8 -","2","0.5","AB1337","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Bis[(2-hydroxyethyl)dimethylammonium] Bis[μ-acetato-<i>O</i>:<i>O</i>'-acetato-<i>O</i>,<i>O</i>'-μ-(2-dimethylaminoethanolato-<i>N</i>,μ-<i>O</i>)-μ~3~-oxo-tetraoxodiuranate(VI)]","Acta Crystallographica Section C","1996","52","5","1169","1171","10.1107/S0108270196000716","","","0.71069","MoKα","","0.0922","0.0501","","0.0871","0.0834","","","","1.17","1.395","1.395","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004827","26.618","0.009","8.95","0.004","10.889","0.004","90","","90","","90","","2594.1","1.7","293","2","293","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C17 H27 Cl Cu F6 N3 O4 P -","- C17 H27 Cl Cu F6 N3 O6 P -","- C68 H108 Cl4 Cu4 F24 N12 O24 P4 -","4","0.5","AB1348","Alcock, N. W.; Busch, D. H.; Vance, A. L.","A Copper(II) Complex of a Macrocyclic Schiff Base Ligand with a Polyether Bridge","Acta Crystallographica Section C","1996","52","5","1134","1136","10.1107/S0108270196001278","","","0.71073","MoKα","","0.0794","0.0584","","0.1768","0.1554","","","","1.016","1.033","1.033","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004828","12.083","0.003","12.267","0.003","9.967","0.001","90","","89.98","0.02","90","","1477.3","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1,2-diallyoxycarbonylethyl][bis(dimethylglyoximato)] [(R)-1-phenylethylamine]cobalt(III)","","- C26 H38 Co N5 O8 -","- C26 H38 Co N5 O8 -","- C52 H76 Co2 N10 O16 -","2","1","AS1195","Sato, H.; Sakai, Y.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Bis(allyloxycarbonyl)ethyl]bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section C","1996","52","5","1086","1089","10.1107/S0108270195014399","","","0.71073","MoKα","","0.045","0.037","","0.102","0.097","","","","1.043","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004829","11.934","0.002","16.344","0.004","24.17","0.002","90","","90","","90","","4714.3","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N-1,3-Propylenebis(salicylaldimine)bispyridinecobalt(III) tetraphenylborate pyridine solvate.","","- C56 H51 B Co N5 O2 -","- C56 H51 B Co N5 O2 -","- C224 H204 B4 Co4 N20 O8 -","4","1","AS1219","Zhu, D.-R.; You, X.-Z.; Shi, X.-H.; Fun, H.-K.; Sivakumar, K.","[<i>N</i>,<i>N</i>'-1,3-Propylenebis(salicylaldimine)]bis(pyridine)cobalt(III) Tetraphenylborate Pyridine Solvate","Acta Crystallographica Section C","1996","52","5","1146","1148","10.1107/S0108270196000297","","","0.71073","MoKα","","0.0735","0.0453","","0.1184","0.1021","","","","0.932","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004830","12.3735","0.0004","11.4382","0.0004","22.0706","0.0011","90","","97.48","0.003","90","","3097.1","0.2","294","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C31 H28 Cl4 P2 Ru -","- C31 H28 Cl3.986 P2 Ru -","- C124 H112 Cl15.944 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.956","1.956","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004831","15.592","0.004","10.796","0.002","19.676","0.006","90","","109.01","0.01","90","","3131.4","1.4","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl4 P2 Ru -","- C32 H30 Cl4 P2 Ru -","- C128 H120 Cl16 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.031","","","0.035","","","","","2.562","2.562","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004832","21.526","0.006","6.447","0.001","12.479","0.002","90","","112.54","0.02","90","","1599.5","0.6","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 B Co F4 N6 O4 -","- C8 H20 B Co F4 N6 O4 -","- C32 H80 B4 Co4 F16 N24 O16 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.035","","","0.049","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004833","21.56","0.01","6.438","0.001","12.51","0.006","90","","111.87","0.04","90","","1611.5","1.2","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Cl Co N6 O8 -","- C8 H20 Cl Co N6 O8 -","- C32 H80 Cl4 Co4 N24 O32 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.049","","","0.055","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004834","13.0354","0.0008","6.3471","0.0005","15.8833","0.0014","90","","107.217","0.006","90","","1255.25","0.17","168","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 S2 -","- C30 H24 Cl2 S2 -","- C60 H48 Cl4 S4 -","2","0.5","BK1148","Freeman, F.; Lu, H.; Ziller, J. W.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene","Acta Crystallographica Section C","1996","52","5","1207","1209","10.1107/S0108270195012108","","","0.71073","MoKα","","","0.043","","","0.064","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004835","8.2","0.008","13.326","0.009","32.093","0.006","90","","90","","90","","3507","4","294","","","","","","","","","","","5","P b c a","","","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C144 H136 N8 O40 S8 -","8","1","BK1150","Kumaradhas, P.; Nirmala, K. A.","<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1996","52","5","1259","1261","10.1107/S0108270195015411","","","0.7093","MoKα","","","0.0455","","","0.1374","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004836","8.752","0.002","27.084","0.005","17.973","0.002","90","","90","","90","","4260.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H38 Cl N O4 -","- C16 H38 Cl N O4 -","- C128 H304 Cl8 N8 O32 -","8","1","BK1156","Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.","<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate","Acta Crystallographica Section C","1996","52","5","1223","1225","10.1107/S0108270195014636","","","0.7093","MoKα","","","0.0609","","","0.067","","","","","4.45","4.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004837","14.891","0.002","7.3102","0.0011","16.1682","0.001","90","","92.38","0.007","90","","1758.5","0.4","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-Dibenzyl-1,4-dihydroisoquinoline","4,4-Dibenzyl-1,4-dihydroisoquinoline","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","BK1166","Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H.","4,4-Dibenzyl-1,4-dihydroisoquinoline","Acta Crystallographica Section C","1996","52","5","1236","1238","10.1107/S010827019501599X","","","1.54178","CuKα","","0.0603","0.0603","","0.1022","0.1022","","","","2.26","2.26","2.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004838","8.366","0.001","23.193","0.002","6.854","0.001","90","","90","","90","","1329.9","0.3","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S2 -","- C13 H20 N2 S2 -","- C52 H80 N8 S8 -","4","1","BK1172","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","(9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile","Acta Crystallographica Section C","1996","52","5","1296","1298","10.1107/S0108270195014016","","","0.7107","MoKα","","","0.0316","","","0.0278","","","","","1.646","1.646","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004839","9.045","0.001","29.148","0.003","8.6766","0.0003","90","","90","","90","","2287.5","0.4","163","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C92 H136 N8 O20 -","4","1","BK1181","Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.","A Pyrazoline Derivative of Eunicin Acetate","Acta Crystallographica Section C","1996","52","5","1272","1274","10.1107/S0108270195016003","","","1.54184","CuKα","","","0.045","","","0.048","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004840","11.276","0.002","16.599","0.003","7.516","0.002","99.29","0.02","101.75","0.02","98.76","0.01","1334","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","Pamoic acid . 2pyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C66 H52 N4 O12 -","2","1","BK1191","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Bis(pyridinium) Pamoate","Acta Crystallographica Section C","1996","52","5","1269","1272","10.1107/S0108270195015691","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004841","7.428","0.002","17.376","0.002","7.632","0.002","90","","116.67","0.01","90","","880.3","0.4","296.2","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper(II) 4-aminobenzenesulfonate tetrahydrate","","- C12 H20 Cu N2 O10 S2 -","- C12 H20 Cu N2 O10 S2 -","- C24 H40 Cu2 N4 O20 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.0348","0.025","","0.0288","0.028","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004842","5.91","0.003","7.103","0.003","18.79","0.002","90","","94.77","0.02","90","","786","0.5","296.2","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","manganese(II) 4-aminobenzenesulfonate dihydrate","","- C12 H16 Mn N2 O8 S2 -","- C12 H16 Mn N2 O8 S2 -","- C24 H32 Mn2 N4 O16 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.052","0.028","","0.0384","0.027","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004843","8.5033","0.0008","8.8856","0.0006","10.773","0.001","101.29","0.01","97.7","0.01","118.42","0.01","677.24","0.14","299","","","","","","","","","","","3","P 1","P 1","1","","azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy- 3,6,9-trimethyl-[3S-(3α,3aα,9α,9aα,9bβ)]","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","BK1193","Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R.","The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide","Acta Crystallographica Section C","1996","52","5","1263","1266","10.1107/S0108270195015435","","","0.71073","Mo-Kα","","","0.04","","","0.048","","","","","2.72","2.72","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2004844","8.366","0.002","9.43","0.002","9.642","0.002","93.62","0.03","103.22","0.03","91.24","0.03","738.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrahydrogen 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane tetrachlorocad mate'","","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","1","0.5","BK1194","Zompa, L. J.; Haidar, R.","Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","5","1188","1190","10.1107/S0108270195015423","","","0.71073","MoKα","","0.0676","0.0487","","0.1425","0.1291","","","","1.084","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004845","10.055","0.002","14.974","0.004","17.825","0.005","90","","90","","90","","2683.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hippuryl-L-Histidyl-L-Leucine","","- C21 H37 N5 O10 -","- C21 H37 N5 O10 -","- C84 H148 N20 O40 -","4","1","BK1197","Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W.","Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme","Acta Crystallographica Section C","1996","52","5","1300","1302","10.1107/S0108270195016180","","","0.71069","MoKα","","0.1192","0.0671","","0.1885","0.1521","","","","0.986","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004846","12.0939","0.0007","15.464","0.004","16.854","0.002","90","","105.295","0.006","90","","3040.4","0.9","20","","20","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(pentamethylcyclopentadienyl)tetra(μ-iodo)dimolybdenum(III,IV) tetraiodoferrate(III), inclusion complex with bis(pentamethylcyclopentadienyl)di(μ-iodo)(μ-oxo)diiododimolybdenum(IV)","","- C40 H60 Fe I12 Mo4 O -","- C40 H60 Fe I12 Mo4 O -","- C80 H120 Fe2 I24 Mo8 O2 -","2","0.5","BK1202","Gordon, J. C.; Fanwick, P. E.; Poli, R.","[(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)]","Acta Crystallographica Section C","1996","52","5","1098","1101","10.1107/S0108270195016283","","","0.71073","MoKα","","0.048","0.048","","","0.063","","","","","1.619","1.619","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004847","7.909","0.003","12.608","0.009","15.303","0.011","112.13","0.04","104.58","0.05","91.52","0.04","1355.4","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1RS,2SR,6SR,7SR,8SR)1-acetoxy-3-oxatricyclo[6.5.0.0^2,7^]tridecan-6,7-diol","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","2","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.0714","0.0343","","0.098","0.0845","","","","0.932","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004848","14.815","0.002","14.264","0.002","10.55","0.002","90","","90","","90","","2229.4","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.059","0.0493","","0.1309","0.1076","","","","1.123","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004849","5.177","0.002","6.41","0.001","11.862","0.002","82.05","0.02","79.38","0.02","76.88","0.02","374.88","0.17","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","1","0.5","BM1036","Tamaki, K.; Okabe, N.","Redetermination of a Copper(II) Complex of Violuric Acid","Acta Crystallographica Section C","1996","52","5","1125","1127","10.1107/S0108270195015496","","","0.7107","MoKα","","","0.051","","","0.052","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004850","9.33","0.001","9.339","0.001","12.805","0.001","82.51","0.01","77.38","0.01","84.75","0.01","1077.2","0.19","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cr N3 O4 S3 -","- C18 H18 Cr N3 O4 S3 -","- C36 H36 Cr2 N6 O8 S6 -","2","1","BM1038","Wen, T.-B.; Shi, J.-C.; Liu, Q.-T.; Kang, B.-S.; Wu, B.-M.; Mak, T. C. W.","Tris(2-sulfidopyridine <i>N</i>-oxide-<i>O</i>,<i>S</i>)chromium(III) Acetone Solvate (1/1)","Acta Crystallographica Section C","1996","52","5","1204","1206","10.1107/S0108270195014958","","","0.71073","MoKα","","","0.044","","","0.058","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004851","8.925","0.005","10.301","0.003","8.179","0.004","94.06","0.03","115.89","0.04","98.45","0.03","661.4","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O4 S -","- C14 H11 N O4 S -","- C28 H22 N2 O8 S2 -","2","1","BM1042","Brigas, A. F.; Johnstone, R. A. W.","3-(4-Methoxyphenoxy)-1,2-benzisothiazole 1,1-Dioxide: its Relation to Mechanistic Behaviour in Catalytic Transfer Hydrogenolysis","Acta Crystallographica Section C","1996","52","5","1293","1296","10.1107/S0108270195016507","","","0.7107","MoKα","","","0.0358","","","0.0423","","","","","1.609","1.609","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004852","12.709","0.002","12.709","0.002","28.667","0.006","90","","90","","120","","4009.9","1.2","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tetramethylammonium trithiobenzoatotin(II)","","- C25 H27 N O3 S3 Sn -","- C25 H26.97 N O3 S3 Sn -","- C150 H161.82 N6 O18 S18 Sn6 -","6","0.333333","BM1045","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II)","Acta Crystallographica Section C","1996","52","5","1180","1182","10.1107/S0108270196000583","","","0.71073","MoKα","","0.0266","0.0251","","0.0635","0.0626","","","","1.056","1.07","1.07","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004853","7.512","0.002","11.599","0.002","12.928","0.003","90","","102.14","0.03","90","","1101.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","Catena-[Triamminezinc(II)-tri-μ-cyano-cyano-dicuprate(I)]","","- C4 H9 Cu2 N7 Zn -","- C4 H9 Cu2 N7 Zn -","- C16 H36 Cu8 N28 Zn4 -","4","1","BR1113","Černák, J.; Kappenstein, C.; Zák, Z.; Chomič, J.","Copper‒Zinc Oxide Catalysts. III. Structure of [Zn(NH~3~)~3~][Cu(CN)~2~]~2~","Acta Crystallographica Section C","1996","52","5","1067","1070","10.1107/S0108270195015654","","","0.71073","MoKα","","0.0901","0.0297","","0.0944","0.0785","","","","0.945","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004854","5.034","0.002","13.281","0.002","11.507","0.003","90","","92.04","0.03","90","","768.8","0.4","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) Selenite Hemihydrate","Mercury(II) Selenite - Water (2/1)","","- H2 Hg2 O7 Se2 -","- Hg2 O7 Se2 -","- Hg8 O28 Se8 -","4","1","BR1119","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite Hemihydrate","Acta Crystallographica Section C","1996","52","5","1070","1072","10.1107/S0108270195016428","","","0.71073","Mo_Kα","","","0.036","","","0.04","","","","","0.855","0.855","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004855","6.456","0.001","4.969","0.001","14.658","0.002","90","","101.82","0.01","90","","460.26","0.13","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","amminemercury(II) selenite","monoamminemercury(II) selenate(IV)","","- H3 Hg N O3 Se -","- Hg N O3 Se -","- Hg4 N4 O12 Se4 -","4","1","BR1136","Koskenlinna, M.; Valkonen, J.; Fröhlich, R.","Amminemercury(II) Selenite","Acta Crystallographica Section C","1996","52","5","1072","1074","10.1107/S0108270195016568","","","0.71073","Mo_Kα","","","0.029","","","0.036","","","","","1.192","1.192","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004856","24.282","0.005","9.544","0.002","7.412","0.0015","90","","106.6","0.03","90","","1646.1","0.6","128","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 O3.5 -","- C7 H15 O3.5 -","- C56 H120 O28 -","8","1","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1571","0.0726","","0.1879","0.1573","","","","0.846","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004857","13.141","0.003","13.741","0.003","11.551","0.002","90","","112.36","0.03","90","","1928.9","0.8","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 O3 Si -","- C6 H14 O3 Si -","- C48 H112 O24 Si8 -","8","2","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1327","0.0799","","0.3425","0.2416","","","","1.018","1.239","1.239","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004858","13.314","0.005","10.077","0.005","36.51","0.01","90","","94.85","0.03","90","","4881","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tris(triphenylphosphine)copper(I) chloride, tetrahydrofuran solvate","Chlorotris(triphenylphosphine)copper(I)-Tetrahydrofuran (1/1)","","- C58 H53 Cl Cu O P3 -","- C58 H53 Cl Cu O P3 -","- C232 H212 Cl4 Cu4 O4 P12 -","4","1","CF1023","Carlson, T. F.; Fackler, Jnr, J. P.; Kresinski, R. A.","Chlorotris(triphenylphosphine)copper(I) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","5","1117","1119","10.1107/S0108270195012819","","","0.71073","MoKα","","0.1214","0.0609","","0.1372","0.1","","","","0.945","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004859","7.402","0.005","13.172","0.006","13.686","0.006","82.9","0.04","77.85","0.04","86.53","0.04","1293.7","1.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","calcium bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 Ca N2 O8 -","- C30 H24 Ca N2 O8 -","- C60 H48 Ca2 N4 O16 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","1.5418","CuKα","","","0.0307","","","0.0847","","","","","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004860","7.637","0.005","13.174","0.007","13.749","0.005","82.35","0.04","78","0.04","85.04","0.05","1338.5","1.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","lead(II) bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 N2 O8 Pb -","- C30 H20 N2 O8 Pb -","- C60 H40 N4 O16 Pb2 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","0.71069","MoKα","","","0.0284","","","0.0724","","","","","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004861","5.466","0.001","6.128","0.001","39.841","0.009","90","","90","","90","","1334.5","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione","","- C20 H10 O3 -","- C20 H10 O3 -","- C80 H40 O12 -","4","1","CF1045","Farrugia, L. J.; Scott, C. F.; Peacock, R. D.","A Naphthofuranoquinone","Acta Crystallographica Section C","1996","52","5","1310","1311","10.1107/S010827019501660X","","","0.71073","MoKα","","0.076","0.0428","","0.14","0.1016","","","","1.088","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004862","4.922","0.0005","7.7525","0.0006","16.3663","0.0011","90","","90","","90","","624.5","0.09","294","1","294","1","","","","","","","","3","P 21 c n","P -2n 2a","33","Furan-2,5-dimethanol","Furan-2,5-dimethanol","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0445","0.0301","","0.0834","0.0783","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004863","9.1669","0.0012","24.06","0.003","41.768","0.004","90","","90","","90","","9212.2","1.9","294","1","294","1","","","","","","","","3","F 2 d d","F -2d 2","43","furan-2,5-diylbis(diphenylmethanol)","furan-2,5-diylbis(diphenylmethanol)","","- C30 H24 O3 -","- C30 H24 O3 -","- C480 H384 O48 -","16","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0982","0.0394","","0.0989","0.0874","","","","0.93","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004864","9.84","0.007","16.198","0.012","5.69","0.004","90","","90","","90","","906.9","1.1","210","2","210","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-dichloro-3,5-dimethoxy-2,5-cyclohexadiene-1,4-dione","","- C8 H6 Cl2 O4 -","- C8 H6 Cl2 O4 -","- C32 H24 Cl8 O16 -","4","0.5","CF1054","Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section C","1996","52","5","1211","1213","10.1107/S0108270195015745","","","0.71073","MoKα","","0.0361","0.0342","","0.0895","0.0875","","","","1.07","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004865","14.157","0.009","9.891","0.006","9.312","0.006","90","","106.85","0.05","90","","1247.9","1.4","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3-(4-chlorophenyl)-5-thiomethyl-4,5-dihydroisoxazol-5-yl]acetonitrile","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","CF1060","Kumar, N.; Vats, A.; Parmar, V. S.; Errington, W.","[3-(4-Chlorophenyl)-5-methylthio-4,5-dihydro-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","5","1239","1241","10.1107/S0108270195016076","","","0.71073","MoKα","","0.0402","0.0304","","0.0897","0.0746","","","","1.041","1.054","1.054","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004866","11.952","0.002","6.255","0.001","11.708","0.002","90","","90","","90","","875.3","0.3","292","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","0.5","CR1142","Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.","A New Analogue of Nifurtimox","Acta Crystallographica Section C","1996","52","5","1281","1282","10.1107/S0108270195015824","","","0.71073","MoKα","","","0.0417","","","0.0449","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004867","10.234","0.004","6.023","0.002","18.478","0.007","90","","94.55","0.02","90","","1135.4","0.7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl10 Cu5 O2 -","- C6 H18 Cl10 Cu5 O2 -","- C12 H36 Cl20 Cu10 O4 -","2","0.5","CR1198","Pon, G.; Willett, R. D.","Redetermination of [Cu~5~Cl~10~(<i>n</i>-C~3~H~7~OH)~2~]","Acta Crystallographica Section C","1996","52","5","1122","1123","10.1107/S0108270195012418","","","1.54178","CuKα","","","0.0682","","","0.0874","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004868","5.76","0.001","11.043","0.002","18.974","0.001","90","","90","","90","","1206.9","0.3","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","DE1015","Declercq, R.; Herdewijn, P.; Van Meervelt, L.","1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol","Acta Crystallographica Section C","1996","52","5","1213","1215","10.1107/S0108270195015101","","","1.54178","CuKα","","0.0366","0.0359","","0.0968","0.0961","","","","1.086","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004869","10.1856","0.0001","10.8535","0.0001","23.1658","0.0002","90","","94.77","0.01","90","","2552.1","0.06","300","1","300","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Phenyl) (pyrrolidino) (dicyclohexylamino) phosphiniminocyclotrithiazene","","- C22 H35 N6 P S3 -","- C22 H35 N6 P S3 -","- C88 H140 N24 P4 S12 -","4","1","DE1019","Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N.","<i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene","Acta Crystallographica Section C","1996","52","5","1250","1252","10.1107/S0108270195015381","","","0.71069","MoKα","","0.0551","0.0551","","0.147","0.147","","","","1.093","1.093","1.093","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004870","25.234","0.003","5.017","0.004","12.588","0.005","90","","108.83","0.02","90","","1508.3","1.4","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Co0.5 N3 O6 -","- C4 H6 Co0.5 N3 O6 -","- C32 H48 Co4 N24 O48 -","8","1","DE1024","Tamaki, K.; Okabe, N.","Diaquabis(5-isonitrosobarbiturato)cobalt(II) Dihydrate","Acta Crystallographica Section C","1996","52","5","1124","1125","10.1107/S0108270195015903","","","0.71069","MoKα","","","0.046","","","0.05","","","","","1.5","1.5","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004871","10.197","0.002","9.086","0.002","17.807","0.005","90","","90","","90","","1649.8","0.7","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B N2 P -","- C17 H22 B N2 P -","- C68 H88 B4 N8 P4 -","4","1","DU1093","Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P.","(2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane‒Borane","Acta Crystallographica Section C","1996","52","5","1316","1317","10.1107/S0108270195013631","","","1.5418","CuKα","","","0.05","","","0.061","","","","","0.47","0.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004872","15.32","0.003","7.915","0.001","8.763","0.001","90","","90","","93.5","0.1","1060.6","0.3","293","2","293","2","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","m-Anisidinium Dihydrogenmonoarsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C28 H48 As4 N4 O20 -","4","1","DU1130","Abdellahi, M. O.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonoarsenate","Acta Crystallographica Section C","1996","52","5","1198","1200","10.1107/S0108270195012947","","","0.712","MoKα","","0.0707","0.0507","","0.1525","0.1359","","","","1.304","1.331","1.331","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004873","8.786","0.002","9.382","0.002","12.703","0.003","94.89","0.02","103.18","0.02","93.4","0.02","1012.5","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C44 H44 N8 O2 S2 -","2","1","DU1140","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","3-Mésityl-6-méthyl-7-méthylthio-4-phényl-6<i>H</i>-isoxazolo[5,4-<i>e</i>][1,2,4]triazépine","Acta Crystallographica Section C","1996","52","5","1230","1232","10.1107/S0108270195012741","","","0.71069","MoKα","","","0.0558","","","0.0568","","","","","4.47","4.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004874","11.095","0.003","10.098","0.003","11.607","0.004","90","","91.34","0.03","90","","1300.1","0.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F4 Fe O3 -","- C10 H11 B F4 Fe O3 -","- C40 H44 B4 F16 Fe4 O12 -","4","1","FG1014","Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D.","Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1110","1112","10.1107/S010827019501465X","","","0.71073","MoKα","","","0.0742","","","0.0773","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004875","9.474","0.001","9.529","0.002","12.16","0.002","99.98","0.01","97.16","0.01","115.92","0.01","947.2","0.3","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H22.5 Ga N1.5 -","- C22.5 H23 Ga N1.5 -","- C45 H46 Ga2 N3 -","2","1","FG1063","Sun, H.-S.; Wang, X.-M.; Sun, X.-Z.; You, X.-Z.; Wang, J.-Z.","(Acridine)trimethylgallium‒Acridine (2/1)","Acta Crystallographica Section C","1996","52","5","1184","1186","10.1107/S0108270195014661","","","0.71073","MoKα","","","0.0385","","","0.0393","","","","","1.534","1.534","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004876","13.131","0.003","7.541","0.001","14.758","0.003","90","","96.03","0.02","90","","1453.3","0.5","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 S5 -","- C12 H14 S5 -","- C48 H56 S20 -","4","1","FG1108","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","5","1248","1250","10.1107/S0108270195015630","","","0.71069","MoKα","","","0.0638","","","0.0641","","","","","2.838","2.838","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004877","17.892","0.001","11.115","0.003","18.279","0.001","90","","114.431","0.004","90","","3309.6","0.9","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-Dihydrido(iodo){bis[dimethyl(diphenylphosphino\-methyl)silyl]\- amine}\-iridium(III)","","- C30 H39 I Ir N P2 Si2 -","- C30 H39 I Ir N P2 Si2 -","- C120 H156 I4 Ir4 N4 P8 Si8 -","4","1","FG1124","Fryzuk, M. D.; MacNeil, P. A.; Rettig, S. J.; Stephan, M.","<i>mer</i>-{Bis[dimethyl(diphenylphosphinomethyl)silyl]amine-<i>N</i>,<i>P</i>,<i>P</i>'}dihydrido(iodo)iridium(III)","Acta Crystallographica Section C","1996","52","5","1115","1117","10.1107/S0108270195016544","","","0.7107","MoKα","","","0.027","","","0.022","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004878","9.809","0.004","10.011","0.004","21.975","0.008","91.77","0.01","91.62","0.01","113.03","0.02","1983.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Bis(benzimidazol-2ylethyl)sulfide] Nickel(II)nitrate","","","- C36 H36 N10 Ni O6 S2 -","- C36 H36 N10 Ni O6 S2 -","- C72 H72 N20 Ni2 O12 S4 -","2","1","FG1136","Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M.","Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate","Acta Crystallographica Section C","1996","52","5","1137","1139","10.1107/S0108270195016398","","","0.71073","MoKα","","0.0829","0.0533","","0.1364","0.1181","","","","1.073","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004879","9.1293","0.0007","7.2499","0.0006","10.0753","0.0008","90","","100.793","0.006","90","","655.05","0.09","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Octahydrochrysene","1,2,3,4,7,8,9,10-octahydrochrysene","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","FG1138","Burd, C. J.; Dobson, A. J.; Gerkin, R. E.","Redetermination of Octahydrochrysene","Acta Crystallographica Section C","1996","52","5","1241","1243","10.1107/S0108270195015460","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004880","8.539","0.002","5.229","0.006","10.268","0.003","90","","97.2","0.02","90","","454.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","FG1140","Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.","First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","5","1215","1218","10.1107/S0108270195015873","","","0.71069","MoKα","","","0.027","","","0.029","","","","","1.23","1.23","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004881","15.822","0.004","12.66","0.004","16.657","0.002","90","","91.7","0.02","90","","3335","1.4","294.2","","294.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Mo2 N2 O4 -","- C34 H46 Mo2 N2 O4 -","- C136 H184 Mo8 N8 O16 -","4","1","FG1147","Legzdins, P.; Lundmark, P. J.; Rettig, S. J.","Bis-μ-hydroxo-bis[(benzyl)(nitrosyl-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)molybdenum]","Acta Crystallographica Section C","1996","52","5","1113","1115","10.1107/S0108270196001096","","","0.7107","MoKα","","","0.04","","","0.0399","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004882","8.444","0.002","5.015","0.002","12.5573","0.0009","90","","100.345","0.009","90","","523.1","0.2","290","","290","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 -","- C4 H4 N4 -","- C16 H16 N16 -","4","1","HA1153","Frampton, C. S.","1,1-Diamino-2,2-dicyanoethene","Acta Crystallographica Section C","1996","52","5","1218","1220","10.1107/S0108270195015721","","","0.7107","MoKα","","0.0474","0.032","","0.0403","0.039","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004883","12.049","0.003","17.018","0.003","17.071","0.003","90","","90","","90","","3500.4","1.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H31 Br2 Cr N4 O3 -","- C10 H30 Br2 Cr N4 O3 -","- C80 H240 Br16 Cr8 N32 O24 -","8","1","HU1105","Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M.","Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate","Acta Crystallographica Section C","1996","52","5","1177","1180","10.1107/S0108270195012996","","","1.54178","CuKα","","","0.0629","","","0.1485","","","","","1.063","1.063","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004884","10.38719","0.00008","6.03925","0.00002","15.29563","0.00007","90","","102.825","0.0004","90","","935.572","0.009","4","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Trirubidiumhydrogendiselenide","","- H O8 Rb3 Se2 -","- H2 O8 Rb3 Se2 -","- H8 O32 Rb12 Se8 -","4","0.5","JZ1057","Melzer, R.; Sonntag, R.; Knight, K. S.","Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","5","1061","1063","10.1107/S0108270195011085","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004885","9.69","0.003","21.62","0.004","12.835","0.003","90","","106.26","0.03","90","","2581.4","1.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-cis-inositol triiodide sesquihydrate","","- C15 H39 I3 N3 O4.5 -","- C15 H37 I3 N3 O4.5 -","- C60 H148 I12 N12 O18 -","4","1","JZ1076","Schmalle, H. W.; Hegetschweiler, K.","Hydrogen Bonding <i>versus</i> van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-<i>cis</i>-inositol Triiodide Sesquihydrate, C~15~H~36~N~3~O~3~^3+^.3I^{-^}.1.5H~2~O","Acta Crystallographica Section C","1996","52","5","1288","1293","10.1107/S0108270195013497","","","0.71073","MoKα","","0.0868","0.0472","","0.1637","0.115","","","","1.285","1.149","1.149","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004886","10.719","0.007","14.198","0.005","9.773","0.003","90.05","0.03","96.31","0.04","89.32","0.04","1478.2","1.2","","","","","","","","","","","","8","P -1","-P 1","2","","[{1,1'-bis(methylphenylphosphino)ferrocene}(pentane-2,4-dionato)palladium] tetrafluoroborate","","- C29 H31 B F4 Fe O2 P2 Pd -","- C29 H31 B F4 Fe O2 P2 Pd -","- C58 H62 B2 F8 Fe2 O4 P4 Pd2 -","2","1","JZ1104","Herberich, G. E.; Moss, S.; Schultz, A.","[1,1'-Bis(methylphenylphosphino)ferrocene-<i>P</i>,<i>P</i>'](pentane-2,4-dionato-<i>O</i>,<i>O</i>')palladium Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1080","1082","10.1107/S0108270195016775","","","0.71073","MoKα","","","0.04","","","0.049","","","","","1.366","1.366","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004887","37.086","0.009","16.045","0.005","12.128","0.005","90","","101.425","0.015","90","","7074","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate","","- C36 H24 F12 N6 P2 Ru -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","1","JZ1107","Breu, J.; Stoll, A. J.","Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1996","52","5","1174","1177","10.1107/S0108270195017057","","","0.71069","MoKα","","0.0715","0.0435","","0.1142","0.1039","","","","0.914","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004888","13.103","0.004","7.734","0.001","13.392","0.004","90","","119.09","0.01","90","","1185.9","0.5","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[tert-Butyl(methyl)ether-O]-lithium phenylmethanide","","- C12 H19 Li O -","- C12 H19 Li O -","- C48 H76 Li4 O4 -","4","1","JZ1111","Müller, G.; Lutz, M.; Waldkircher, M.","Benzyllithium <i>tert</i>-Butyl Methyl Etherate","Acta Crystallographica Section C","1996","52","5","1182","1184","10.1107/S0108270196000923","","","0.71069","MoKα","","0.1607","0.0526","","0.1379","0.1058","","","","1.006","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004889","20.756","0.001","6.16","0.001","21.475","0.001","90","","97.32","0.01","90","","2723.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N2 Ni O2 -","- C36 H28 N2 Ni O2 -","- C144 H112 N8 Ni4 O8 -","4","0.5","KA1135","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)","Acta Crystallographica Section C","1996","52","5","1154","1156","10.1107/S0108270195016015","","","0.71073","MoKα","","0.123","0.045","","0.211","0.075","","","","2.42","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004890","15.187","0.005","12.883","0.003","11.468","0.003","90","","90","","90","","2243.8","1.1","293","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","4,5-ethylenedioxy-1,3-dimethyl-dihydrouric acid","cis-4,5-ethylenedioxy-1,3-dimethyltetrahydropurine-2,6,8-trione","","- C9 H12 N4 O5 -","- C9 H12 N4 O5 -","- C72 H96 N32 O40 -","8","2","KA1144","Poje, N.; Poje, M.; Vickovic, I.","<i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione","Acta Crystallographica Section C","1996","52","5","1311","1313","10.1107/S0108270195011322","","","1.54178","CuKα","","0.0465","0.0426","","0.0725","0.0711","","","","0.982","1.013","1.013","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004891","12.461","0.006","6.454","0.004","13.621","0.005","90","","107.57","0.01","90","","1044.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxyantipyrine","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","KA1148","Panneerselvam, K.; Jayanthi, N.; Rudiño-Piñera, E.; Soriano-García, M.","4-Hydroxyantipyrine","Acta Crystallographica Section C","1996","52","5","1257","1258","10.1107/S0108270195015459","","","1.54178","CuKα","","0.0506","0.047","","0.1226","0.1177","","","","1.073","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004892","14.819","0.001","10.765","0.001","20.673","0.002","90","","92.28","","90","","3295.3","0.5","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(N,N-dimethylformamide)-nickel(II) Diperchlorate","","- C18 H42 Cl2 N6 Ni O14 -","- C18 H42 Cl2 N6 Ni O14 -","- C72 H168 Cl8 N24 Ni4 O56 -","4","1","KA1163","McKee, V.; Metcalfe, T.; Wikaira, J.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II) Diperchlorate","Acta Crystallographica Section C","1996","52","5","1139","1141","10.1107/S010827019501523X","","","0.71073","MoKα","","0.0588","0.0407","","0.1109","0.0931","","","","1.035","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004893","13.926","0.002","32.8","0.004","6.283","0.004","90","","90","","90","","2869.9","1.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","KA1164","Böcskei, Z.; Szendi, Z.; Sweet, F.","A Side-Chain Substituted Cholesterol Analog","Acta Crystallographica Section C","1996","52","5","1302","1304","10.1107/S0108270195016295","","","1.5418","CuKα","","0.2176","0.0705","","0.3207","0.1907","","","","1.051","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004894","21.64","0.002","7.866","0.001","6.72","0.01","90","0.01","96.16","0.01","90","0.009","1137.3","1.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","ethyl p-methoxycinnamate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","KA1167","Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.","Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam","Acta Crystallographica Section C","1996","52","5","1255","1257","10.1107/S0108270195016027","","","1.5418","CuKαradiation,Nifiltered","","0.053","0.039","","0.044","0.034","","","","0.497","0.418","0.418","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004895","20.054","0.004","13.005","0.003","9.611","0.002","90","","90","","90","","2506.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)","","- C26 H22 Cu N4 O6 -","- C26 H22 Cu N4 O6 -","- C104 H88 Cu4 N16 O24 -","4","0.5","KA1172","Leban, I.; Segedin, P.; Gruber, K.","Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","5","1096","1098","10.1107/S0108270195017240","","","0.71073","MoKα","","0.1098","0.0531","","0.1785","0.1224","","","","1.074","1.063","1.063","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004896","12.464","0.003","14.934","0.003","17.46","0.003","90","","90","","90","","3250","1.2","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","bis[bis(4-methylthiazolinylidene)gold(I)] tetrachlorozincate dichloromethane","","- C8.5 H11 Au Cl3 N2 S2 Zn0.5 -","- C10 H8 Au Cl2 N2 S2 Zn0.5 -","- C80 H64 Au8 Cl16 N16 S16 Zn4 -","8","1","KH1025","Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G.","Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane","Acta Crystallographica Section C","1996","52","5","1159","1161","10.1107/S0108270195015514","","","0.7093","MoKα","","0.078","0.05","","0.055","0.054","","","","3.587","4.045","4.045","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004897","9.46","0.002","19.572","0.004","20.017","0.006","90","","92.58","0.02","90","","3702.4","1.6","300","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Ag Cl N2 P2 S2 -","- C38 H34 Ag Cl N2 P2 S2 -","- C152 H136 Ag4 Cl4 N8 P8 S8 -","4","1","KH1051","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.; Kang, B.-S.","Chloro(ethanedithioamide-<i>S</i>)bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","5","1161","1163","10.1107/S0108270195013813","","","0.71073","MoKα","","","0.037","","","0.049","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004898","8.215","0.001","17.387","0.002","10.042","0.001","90","","101.92","0.01","90","","1403.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Li N2 O4 -","- C12 H19 Li N2 O4 -","- C48 H76 Li4 N8 O16 -","4","1","KH1058","Näther, C.; John, A.; Ruppert, K.; Bock, H.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium","Acta Crystallographica Section C","1996","52","5","1166","1168","10.1107/S010827019501571X","","","0.71073","MoKα","","0.101","0.0453","","0.0894","0.0788","","","","0.974","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004899","9.358","0.001","13.408","0.001","13.755","0.001","90","","90","","90","","1725.9","0.3","298","3","","","","","","","","","","5","P m c n","-P 2n -21","","","","","- C12 H24 Cu N6 S2 -","- C6.5 H12 Cu0.5 N3.5 S1.5 -","- C26 H48 Cu2 N14 S6 -","4","0.5","KH1068","Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.","(Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)","Acta Crystallographica Section C","1996","52","5","1093","1095","10.1107/S0108270195016519","","","0.71073","MoKα","","","0.041","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004900","6.374","0.001","9.917","0.002","26.743","0.003","90","","90","","90","","1690.5","0.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H12 O5 -","- C7 H12 O5 -","- C56 H96 O40 -","8","1","LI1141","Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.","Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate","Acta Crystallographica Section C","1996","52","5","1298","1299","10.1107/S0108270195015812","","","0.71073","MoKα","","0.0711","0.0472","","0.3476","0.1185","","","","1.082","1.068","1.068","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004901","25.99","0.002","7.078","0.001","13.203","0.001","90","","103.82","0.05","90","","2358.5","0.7","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(N-4-chlorobenzilydene 2-mercaptoaniline)nickel(II)","","- C26 H18 Cl2 N2 Ni S2 -","- C26 H18 Cl2 N2 Ni S2 -","- C104 H72 Cl8 N8 Ni4 S8 -","4","0.5","MU1204","Ercan, F.; Ülkü, D.; Ancin, N.; Oztas, S. G.; Tüzün, M.","Bis[<i>N</i>-(4-chlorobenzylidene)-2-mercaptoanilinato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1141","1143","10.1107/S0108270195014594","","","0.71073","MoKα","","","0.047","","","0.05","","","","","0.73","0.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004902","14.644","0.006","15.644","0.004","23.085","0.004","90","","90","","90","","5289","3","296","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C24 H24 N2 Ni O2 S4 -","- C24 H24 N2 Ni O2 S4 -","- C192 H192 N16 Ni8 O16 S32 -","8","0.5","MU1212","Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II)","Acta Crystallographica Section C","1996","52","5","1157","1159","10.1107/S0108270195014727","","","0.71073","MoKα","","","0.056","","","0.068","","","","","1.69","1.69","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004903","13.012","0.002","14.133","0.002","11.856","0.002","92.96","0.01","112.946","0.009","77.55","0.01","1959.3","0.5","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H42 Co2 Mo6 N2 O37 P4 -","- C8 H24 Co2 Mo6 N2 O37 P4 -","- C16 H48 Co4 Mo12 N4 O74 P8 -","2","1","MU1218","Lightfoot, P.; Masson, D.","[N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~(PO~4~)(HPO~4~)~2~(H~2~PO~4~)].5H~2~O, a New One-Dimensional Molybdenum Phosphate","Acta Crystallographica Section C","1996","52","5","1077","1080","10.1107/S0108270195015551","","","0.71073","MoKα","","","0.041","","","0.057","","","","","4.91","4.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004904","8.601","0.001","8.768","0.001","15.008","0.002","89.32","0.01","83.97","0.01","81.22","0.01","1112.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(S-methyl-β-N-(4-methoxyphenyl)methylendithiocarbazide) nickel(II).","","- C20 H22 N4 Ni O2 S4 -","- C20 H22 N4 Ni O2 S4 -","- C40 H44 N8 Ni2 O4 S8 -","2","1","MU1220","Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1143","1145","10.1107/S0108270195015290","","","0.71073","MoKα","","0.0367","0.0328","","0.0942","0.0914","","","","1.063","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004905","8.534","0.001","8.765","0.001","9.975","0.001","87.56","0.01","64.89","0.01","72.26","0.01","640.23","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methyl-4-methylpyridinium) bis(maleonitriledithiolate) nickel(II).","","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","1","0.5","MU1222","Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","5","1148","1150","10.1107/S0108270195014429","","","0.71073","MoKα","","0.0347","0.0327","","0.0984","0.0971","","","","1.077","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004906","27.858","0.005","8.094","0.002","9.951","0.002","90","","90","","90","","2243.8","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Morpholinyl-3-phenylthiourea.","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.063","0.047","","0.1401","0.1309","","","","1.065","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004907","40.201","0.005","7.59","0.001","7.829","0.001","90","","90","","90","","2388.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Morpholinyl-3-tolylthiourea.","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C96 H128 N16 O8 S8 -","8","1","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.094","0.0507","","0.305","0.1396","","","","0.966","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004908","13.3698","0.0002","8.5803","0.0001","16.5573","0.0001","90","","109.459","0.001","90","","1790.91","0.04","153","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-8-quinolinolato) Molybdenum","","- C20 H16 Mo N2 O4 -","- C20 H16 Mo N2 O4 -","- C80 H64 Mo4 N8 O16 -","4","1","MU1231","Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z.","<i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI)","Acta Crystallographica Section C","1996","52","5","1150","1152","10.1107/S0108270195016933","","","0.71073","MoKα","","0.0238","0.0229","","0.0556","0.0552","","","","1.143","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004909","7.438","0.001","15.332","0.002","17.722","0.003","103.36","0.01","92.14","0.01","101.7","0.01","1917.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-{(p-dimethylamino)styryl}pyridinium bis(maleonitriledithiolate) nickelate(II).","","- C40 H38 N8 Ni S4 -","- C40 H38 N8 Ni S4 -","- C80 H76 N16 Ni2 S8 -","2","1","MU1233","Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z.","Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II)","Acta Crystallographica Section C","1996","52","5","1152","1154","10.1107/S0108270195016921","","","0.71073","MoKα","","0.0566","0.0368","","0.1059","0.0975","","","","0.934","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004910","9.431","0.002","11.27","0.002","15.781","0.003","90","","91.13","0.03","90","","1677","0.6","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Dichlorophenyl imino Zirconium dimer THF adduct","Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV)","","- C28 H42 Cl4 N2 O4 Zr2 -","- C28 H42 Cl4 N2 O4 Zr2 -","- C56 H84 Cl8 N4 O8 Zr4 -","2","0.5","MU1234","Polamo, M.; Mutikainen, I.; Leskelä, M.","A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran","Acta Crystallographica Section C","1996","52","5","1082","1084","10.1107/S0108270195016891","","","0.71069","MoKα","","0.0408","0.0362","","0.0896","0.0871","","","","1.037","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004911","11.755","0.008","14.521","0.003","15.884","0.005","89.333","0.001","77.715","0.001","67.027","0.001","2431.4","1.9","298","","","","","","","","","","","6","P -1","-P 1","2","","Bis(Tetraphenylphosphonium)Tetrachloro-dioxouranium(VI).dichloromethane","","- C49 H42 Cl6 O2 P2 U -","- C49 H42 Cl6 O2 P2 U -","- C98 H84 Cl12 O4 P4 U2 -","2","1","MU1235","Brown, D. R.; Chippindale, A. M.; Denning, R. G.","Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","5","1164","1166","10.1107/S0108270195016908","","","0.71069","MoKα","","","0.0461","","","0.0491","","","","","1.0864","1.0864","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2004912","8.131","0.003","10.052","0.004","18.473","0.004","100.75","0.04","101.52","0.04","99.03","0.04","1423.6","0.9","297","2","295","2","","","","","","","","5","P -1","-P 1","2","","(3,8,12,17-Me~4~-(9,10,11)(18,1,2)pyo~2~-[18]-3,7,12,16-tetraene- 1,4,7,10,13,16-N~6~)tris(isothiocyanato-N)europium tris(isocyanato-N)(2,7,13,18-tertamethyl-3,6,14,17,23,24-hexaazatricyclo [17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-N^3^,N^6^,N^14^, N^17^,N^23^,N^24^)europium","","- C25 H26 Eu N9 S3 -","- C25 H26 Eu N9 S3 -","- C50 H52 Eu2 N18 S6 -","2","1","NA1202","Benetollo, F.; Bombieri, G.; Vallarino, L. M.","The β Form of the Macrocyclic Complex [Eu(NCS)~3~(C~22~H~26~N~6~)]","Acta Crystallographica Section C","1996","52","5","1190","1193","10.1107/S0108270195015484","","","0.71069","MoKα","","0.0293","0.0276","","0.0731","0.0696","","","","1.103","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004913","10.6262","0.001","18.101","0.002","14.1962","0.0014","90","","107.376","0.008","90","","2606","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate","","- C26 H20 Cl O7 P Se W -","- C26 H20 Cl O7 P Se W -","- C104 H80 Cl4 O28 P4 Se4 W4 -","4","1","NA1204","Thöne, C.; Jones, P. G.","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~)","Acta Crystallographica Section C","1996","52","5","1084","1086","10.1107/S0108270195015289","","","0.71073","MoKα","","0.0461","0.0275","","0.056","0.0524","","","","0.905","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004914","6.8415","0.0003","24.411","0.003","19.377","0.001","90","","95.888","0.006","90","","3219","0.5","298","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-9-methyl-9H-carbazol-1,2-dimethyldicarboxalat","","- C18 H17 N O5 -","- C18.5 H17 N O4.5 -","- C148 H136 N8 O36 -","8","2","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5416","CuKα","","","0.06","","0.07","","","","","6.88","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004915","22.028","0.002","11.698","0.001","7.0116","0.0003","90","","90","","90","","1806.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5418","CuKα","","0.098","0.0628","","0.1852","0.1619","","","","1.009","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004916","10.044","0.003","10.044","0.003","10.044","0.003","90","","90","","90","","1013.3","0.5","296","","23","","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- Re4 S4 Te4 -","- Re4 S4 Te4 -","- Re16 S16 Te16 -","4","0.25","OH1089","Fedorov, V. E.; Mironov, Y. V.; Fedin, V. P.; Imoto, H.; Saito, T.","Re~4~S~4~Te~4~","Acta Crystallographica Section C","1996","52","5","1065","1067","10.1107/S0108270195016763","","","0.7107","MoKα","","","0.0286","","","0.0224","","","","","4.27","4.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004917","3.908","0.001","3.908","0.001","11.16","0.004","90","","90","","90","","170.44","0.09","296","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","1","0.0625","OH1090","Kumada, N.; Kinomura, N.; Sleight, A. W.","CsLaNb~2~O~7~","Acta Crystallographica Section C","1996","52","5","1063","1065","10.1107/S0108270195015848","","","0.71069","MoKα","","","0.026","","","0.031","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004918","6.5901","0.0008","9.4434","0.0009","14.983","0.002","90","","90","","90","","932.44","0.19","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H14 N2 O5 Pt -","- C5 H14 N2 O5 Pt -","- C20 H56 N8 O20 Pt4 -","4","0.5","PA1135","Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C.","Diammine(dimethylmalonato)platinum(II) Monohydrate","Acta Crystallographica Section C","1996","52","5","1186","1188","10.1107/S010827019501482X","","","0.7107","MoKα","","","0.029","","","0.037","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004919","19.238","0.005","24.477","0.003","15.79","0.02","90","","109.52","0.02","90","","7008","9","123","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","β-Cyclodextrin-Z-9-dodecenol complex","cyclomaltoheptaose-Z-9-dodecen-1-ol complex","","- C49 H104 O46 -","- C48.81 H52.43 O45.37 -","- C195.24 H209.72 O181.48 -","4","1","PA1191","Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.","β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex","Acta Crystallographica Section C","1996","52","5","1220","1223","10.1107/S0108270195014703","","","0.071069","MoKα","","0.0901","0.0679","","0.2204","0.1842","","","","0.596","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004920","19.825","0.005","16.714","0.002","4.905","0.001","90","","90","","90","","1625.3","0.6","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-BENZO-4,7-DIOXA-1,10,14-TRIAZACYCLOHEPTADECANE-2,9-DIONE","","- C16 H23 N3 O4 -","- C16 H23 N3 O4 -","- C64 H92 N12 O16 -","4","0.5","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.133","0.039","","0.108","0.039","","","","1.918","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004921","7.3684","0.0009","22.641","0.003","10.479","0.002","90","","110.44","0.01","90","","1638.1","0.4","293","","293","","","","","","","","","4","I 1 a 1","I -2ya","9","","Diaqua 5,6-benzo-4,7-dioxa-1,10,13-triazacyclopentadecane-2,9-dione","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.05","0.041","","0.052","0.045","","","","1.191","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004922","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","PA1214","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J.-P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","5","1226","1228","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004923","9.16","0.006","7.819","0.005","9.57","0.004","80.49","0.05","113.72","0.04","98.97","0.05","615.9","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C26 H22 N2 O6 S2 -","2","1","PT1031","Howie, R. A.; Wardell, J. L.","4-Methoxyphenyl 2-Nitrophenyl Sulfide","Acta Crystallographica Section C","1996","52","5","1228","1230","10.1107/S0108270195015587","","","0.71073","MoKα","","","0.032","","","0.037","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004924","7.852","0.002","13.714","0.002","13.265","0.003","90","","118.98","0.01","90","","1249.6","0.5","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cu2 N8 O4 -","- C28 H16 Cu2 N8 O4 -","- C56 H32 Cu4 N16 O8 -","2","0.5","PT1036","Parker, O. J.; Wolther, M. P.; Breneman, G. L.","Di-μ-isocyanato-bis[isocyanato(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section C","1996","52","5","1089","1091","10.1107/S0108270195016799","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004925","11.36","0.002","35.845","0.005","11.495","0.002","90","","90.95","0.02","90","","4680.1","1.3","293","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B Br Cl2 D10 F4 O P2 Pt -","- C49 H38 B Br Cl2 F4 P2 Pt -","- C196 H152 B4 Br4 Cl8 F16 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0509","","","0.0578","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004926","10.943","0.003","15.861","0.004","27.756","0.007","90","","90","","90","","4818","2","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 B Br F4 O P2 Pt -","- C51 B Br F4 O2 P2 Pt -","- C204 B4 Br4 F16 O8 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0646","","","0.0736","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004927","11.792","0.002","8.563","0.002","13.061","0.004","90","","90","","90","","1318.8","0.6","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl2 N4 Ru -","- C8 H12 Cl2 N4 Ru -","- C32 H48 Cl8 N16 Ru4 -","4","0.5","TA1049","Bown, M.; Hockless, D. C. R.","<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]","Acta Crystallographica Section C","1996","52","5","1105","1106","10.1107/S0108270195015320","","","0.7107","MoKα","","","0.0208","","","0.0165","","","","","1.577","1.577","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004928","8.802","0.006","9.517","0.005","10.989","0.008","100.15","0.05","106.51","0.06","101.75","0.05","836.8","1","298","","298","","","","","","","","","5","P -1","-P 1","2","","Trikis-(piperizinium) octamolybdate","","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","1","0.5","TA1054","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Tris(piperazinium) Octamolybdate, (C~4~H~12~N~2~)~3~[Mo~8~O~27~]","Acta Crystallographica Section C","1996","52","5","1075","1077","10.1107/S0108270195015642","","","0.71073","MolybdenumKα","","0.033","0.033","","0.026","0.026","","","","1.03","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004929","9.734","0.001","17.075","0.001","9.764","0.001","90","","96.4","0.01","90","","1612.7","0.3","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)-3-methyl-3H-benz[f]indolyl-3-hydroperoxide","","- C16 H19 N O2 Si -","- C16 H19 N O2 Si -","- C64 H76 N4 O8 Si4 -","4","2","TA1061","Morales, G. A.; Fronczek, F. R.","A Kryptoracemic Hydroperoxide","Acta Crystallographica Section C","1996","52","5","1266","1268","10.1107/S010827019501537X","","","1.54184","CuKα","","","0.041","","","0.048","","","","","2.146","2.146","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2004930","8.075","0.003","8.382","0.002","22.978","0.007","90","","90","","90","","1555.3","0.8","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,4R)-2-benzoyloxy-4-methoxy-5-(1-methylethyl)-6,8- dioxabicyclo[3.2.1]octane","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0688","0.0524","","0.1316","0.1231","","","","1.041","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004931","5.934","0.003","6.907","0.003","32.751","0.018","90","","90","","90","","1342.3","1.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0969","0.0585","","0.1374","0.1131","","","","0.983","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004932","8.978","0.002","8.689","0.002","10.702","0.002","90","","106.98","0.03","90","","798.5","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C28 H48 N4 O8 -","2","0.5","VJ1033","Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C.","Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine","Acta Crystallographica Section C","1996","52","5","1238","1239","10.1107/S0108270195014892","","","0.71073","MoKα","","","0.0563","","","0.0534","","","","","0.5","0.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004933","31.208","0.002","8.7588","0.0004","10.9435","0.0011","90","","101.706","0.003","90","","2929.1","0.4","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C136 H192 O16 -","8","1","CF1040","Harmata, M.; Elomari, S.; Barnes, C. L.","(±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one","Acta Crystallographica Section C","1996","52","5","1209","1211","10.1107/S0108270195015782","","","1.54184","CuKα","","","0.054","","","0.09","","","","","3.18","3.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004934","7.701","0.002","40.02","0.005","4.6437","0.0006","90","","107.34","0.01","90","","1366.1","0.4","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H28 Cl N O -","- C11 H28 Cl N O -","- C44 H112 Cl4 N4 O4 -","4","1","CF1038","Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Undecylammonium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","5","1261","1263","10.1107/S0108270195015770","","","0.7107","MoKα","","","0.0293","","","0.0324","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004935","7.802","0.003","12.138","0.002","14.748","0.002","95.77","0.01","99.33","0.02","104.28","0.02","1321.1","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","(Me~3~TTF)~2~C(OH)Me","[1,1'-bis(3',4,4'-trimethyl-tetrathiafulvalen-3-yl)] hemi-ethanol solvate","","- C21 H25 O1.5 S8 -","- C22 H22 O2 S8 -","- C44 H44 O4 S16 -","2","1","AB1303","Dolbecq, A.; Fourmigué, M.; Batail, P.","1,1-Bis(3',4,4'-trimethyltetrathiafulvalen-3-yl)ethanol Ethanol Hemisolvate; a New Bifunctional π-Donor Molecule","Acta Crystallographica Section C","1996","52","6","1543","1545","10.1107/S0108270196000509","","","0.71073","MoKα","","0.094","0.053","","0.081","0.057","","","","1.527","1.373","1.373","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004936","9.692","0.003","13.232","0.004","29.968","0.007","90","","91.31","0.03","90","","3842.2","1.9","178","2","178","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene","","- C52 H52 -","- C52 H52 -","- C208 H208 -","4","1","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.1151","0.0693","","0.1957","0.1506","","","","1.069","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004937","17.288","0.003","12.159","0.002","27.527","0.004","90","","97.06","0.02","90","","5742.4","1.6","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene}-bis{silver(I) hexafluoroantimonate toluene dichloromethane (1:1:1)","","- C60 H62 Ag2 Cl2 F12 Sb2 -","- C60 H59 Ag2 Cl2 F12 Sb2 -","- C240 H236 Ag8 Cl8 F48 Sb8 -","4","0.5","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.0523","0.0429","","0.1131","0.0994","","","","1.052","1.046","1.046","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004938","14.8208","0.0012","8.1939","0.0004","17.4844","0.0009","90","","91.185","0.004","90","","2122.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-dibenzoyl-2-phenylbenzylamine","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","AB1326","Blake, A. J.; Cullen, K. E.; Sharp, J. T.","<i>N</i>,<i>N</i>-Dibenzoyl-2-phenylbenzylamine","Acta Crystallographica Section C","1996","52","6","1546","1548","10.1107/S0108270195017033","","","0.71073","MoKα","","0.0558","0.0347","","0.1044","0.0936","","","","1.034","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004939","26.319","0.007","16.313","0.004","17.842","0.004","90","","90","","90","","7660","3","178","2","178","2","","","","","","","","2","F d d 2","F 2 -2d","43","","1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne","","- C52 H46 -","- C52 H46 -","- C416 H368 -","8","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.0916","0.0411","","0.1182","0.0902","","","","0.989","1.016","1.016","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004940","13.662","0.005","11.267","0.005","18.225","0.007","90","","105.83","0.03","90","","2699","1.9","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne)bis(silver(I)} Bis-Hexafluoroantimonate Dichloromethane Solvate (1:2)","","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C108 H100 Ag4 Cl8 F24 Sb4 -","2","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.1038","0.0662","","0.1824","0.1466","","","","1.044","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004941","9.781","0.002","10.597","0.002","20.216","0.004","101.49","0.03","93.85","0.03","109.53","0.03","1914.8","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(diphenylamido)hafnium","Tetrakis(diphenylamido)hafnium","","- C48 H40 Hf N4 -","- C48 H40 Hf N4 -","- C96 H80 Hf2 N8 -","2","1","AB1336","Polamo, M.; Mutikainen, I.; Leskelä, M.","Tetrakis(diphenylamido-<i>N</i>)hafnium","Acta Crystallographica Section C","1996","52","6","1348","1350","10.1107/S0108270196001035","","","0.71073","MoKα","","0.032","0.0305","","0.0757","0.0741","","","","1.038","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004942","6.9936","0.0006","13.1255","0.0012","17.988","0.006","90","","90","","90","","1651.2","0.6","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodobis(phenylsulfonyl)methane","","- C13 H10 I2 O4 S2 -","- C13 H10 I2 O4 S2 -","- C52 H40 I8 O16 S8 -","4","1","AB1343","Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.","Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~","Acta Crystallographica Section C","1996","52","6","1488","1490","10.1107/S0108270195016647","","","0.7107","MolybdenumKα","","0.0964","0.0481","","0.1115","0.1001","","","","0.961","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004943","18.629","0.002","18.629","0.002","29.863","0.005","90","","90","","120","","8975","2","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate","","- C37 H80 F12 O15 P2 Ru S6 -","- C36.99 H79.94 F12 O14.98 P2 Ru S6 -","- C221.94 H479.64 F72 O89.88 P12 Ru6 S36 -","6","0.333333","AB1354","Blake, A. J.; Radek, C.; Schröder, M.","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)","Acta Crystallographica Section C","1996","52","6","1401","1403","10.1107/S0108270196001497","","","0.71073","MoKα","","0.0453","0.0361","","0.1275","0.1002","","","","1.039","1.052","1.052","","","","","has coordinates","191017","2020-10-21","18:00:00",""
"2004944","7.386","0.001","11.81","0.001","17.197","0.002","90","","90","","90","","1500.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate.","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","1","AS1221","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1505","1507","10.1107/S0108270196000303","","","0.71073","MoKα","","0.0536","0.0336","","0.0864","0.0789","","","","0.928","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004945","6.417","0.001","8.378","0.001","12.503","0.002","94.02","0.01","92.19","0.01","91.66","0.01","669.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","p-Nitrobenzaldehyde Nictonylhydrazone Monohydrate.","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AS1222","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Nitrobenzaldehyde Nicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1507","1509","10.1107/S0108270195016702","","","0.71073","MoKα","","0.0624","0.0486","","0.1599","0.1492","","","","1.108","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004946","11.6086","0.0015","7.7966","0.0009","15.2545","0.0014","90","","104.52","0.007","90","","1336.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O2 S -","- C13 H12 I N O2 S -","- C52 H48 I4 N4 O8 S4 -","4","1","BK1198","Protasiewicz, J. D.","(Tosyliminoiodo)benzene at 298K","Acta Crystallographica Section C","1996","52","6","1570","1572","10.1107/S0108270195016659","","","0.71073","MoKα","","0.0385","0.028","","0.106","0.0598","","","","1.11","1.147","1.147","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004947","14.498","0.005","9.263","0.003","14.703","0.004","90","","103.16","0.02","90","","1922.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","DADLE HCl","[D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride","","- C33 H48 Cl N5 O8 -","- C33 H47 Cl N5 O8 -","- C66 H94 Cl2 N10 O16 -","2","1","BK1199","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","[ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride","Acta Crystallographica Section C","1996","52","6","1583","1585","10.1107/S0108270196000534","","","1.54178","CuKα","","0.1279","0.0811","","0.2138","0.1824","","","","1.094","1.236","1.236","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004948","6.752","0.001","12.44","0.001","16.251","0.001","90","","90","","90","","1365","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-isopipitzol","(1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","BK1206","Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.","β-Isopipitzol","Acta Crystallographica Section C","1996","52","6","1452","1454","10.1107/S0108270195015988","","","1.5418","CuKα","","0.0619","0.057","","0.0823","0.075","","","","","1.32","1.32","","","","","has coordinates","198488","2020-10-21","18:00:00",""
"2004949","10.082","0.002","10.912","0.002","12.228","0.002","98.105","0.015","108.339","0.014","106.541","0.015","1184.1","0.4","130","2","","","","","","","","","","3","P -1","-P 1","2","","5,8-Bis(trimethylsilyl)-6,7-dihydroindeno[2,1c]fluorene","","- C26 H32 Si2 -","- C26 H32 Si2 -","- C52 H64 Si4 -","2","1","BK1209","Olmstead, M. M.; Hitchcock, S. R.; Nantz, M. H.","Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-<i>c</i>]fluorene","Acta Crystallographica Section C","1996","52","6","1523","1525","10.1107/S0108270196000054","","","0.71073","MoKα","","0.0708","0.052","","0.1357","0.1231","","","","1.034","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004950","14.963","0.006","6.093","0.003","12.228","0.005","90","","100.14","0.02","90","","1097.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(4aRS,4bSR,6RS,8aRS,8bSR) 6-methyl-3,4,4a,4b,5,6,7,8,8a,8b-decahydro- 2H-benzofuro[2,3,b]pyran","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","BM1023","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","New Routes to Pyranotetrahydrofuran Derivatives","Acta Crystallographica Section C","1996","52","6","1530","1532","10.1107/S0108270195014405","","","1.54178","CuKα","","0.0607","0.054","","0.1109","0.1064","","","","1.222","1.227","1.227","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004951","15.875","0.009","13.09","0.01","13.771","0.008","90","","90","","90","","2862","3","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H11 N O3 S -","- C17 H11 N O3 S -","- C136 H88 N8 O24 S8 -","8","2","BM1049","Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.","3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation","Acta Crystallographica Section C","1996","52","6","1576","1579","10.1107/S0108270196000935","","","0.7107","MoKα","","","0.0449","","","0.0491","","","","","1.586","1.586","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004952","7.204","0.001","11.752","0.002","15.057","0.001","103.14","0.01","98.37","0.01","92.45","0.01","1224.3","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O20 -","- C14 H22 Co N4 O20 -","- C28 H44 Co2 N8 O40 -","2","1","BM1053","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Tetraaquabis(3,5-dinitrobenzoato-<i>O</i>)cobalt(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1392","1394","10.1107/S010827019600128X","","","0.71073","MoKα","","","0.036","","","0.042","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004953","13.702","0.002","12.498","0.002","7.894","0.001","90","","90","","90","","1351.8","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Hexaiododisilane","Hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I24 Si8 -","4","0.5","BR1117","Jansen, M.; Friede, B.","Hexaiododisilane","Acta Crystallographica Section C","1996","52","6","1333","1334","10.1107/S0108270196000820","","","0.71073","MoKα","","0.071","0.0608","","0.1712","0.165","","","","1.232","1.306","1.306","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004954","13.298","0.002","10.08","0.002","13.637","0.004","90","","92.39","0.02","90","","1826.4","0.7","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr (ReO4)2 . 2H2O","","- H4 O10 Re2 Sr -","- H4 O10 Re2 Sr -","- H32 O80 Re16 Sr8 -","8","2","BR1122","Todorov, T.; Angelova, O.; Macícek, J.","The Covert Water in the Structure of Sr(ReO~4~)~2~.2H~2~O: a Revision of the Sesquihydrate Model","Acta Crystallographica Section C","1996","52","6","1319","1323","10.1107/S0108270195016362","","","0.71073","MoKα","","0.102","0.038","","0.191","0.05","","","","2.998","0.808","0.808","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004955","4.024","0.003","4.024","0.003","5.113","0.004","90","","90","","120","","71.7","0.09","113","2","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","BR1127","Pell, M. A.; Mironov, Y. V.; Ibers, J. A.","PdTe~2~","Acta Crystallographica Section C","1996","52","6","1331","1332","10.1107/S0108270195016246","","","0.7107","MoKα","","","0.0262","","","0.0648","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004956","4.555","0.002","4.555","","9.772","0.006","90","","90","","90","","202.75","0.15","293","","20","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Bi2 Ce Cu0.71 -","- Bi2 Ce Cu0.7055 -","- Bi4 Ce2 Cu1.411 -","2","0.125","BR1129","Ye, J.; Huang, Y. K.; Kadowaki, K.; Matsumoto, T.","A Novel Intermetallic Compound, CeCu~1{-~<i>x</i>}Bi~2~","Acta Crystallographica Section C","1996","52","6","1323","1325","10.1107/S0108270195016738","","","0.7107","MoKα","","","0.0483","","","0.0482","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004957","6.499","0.001","14.191","0.004","7.607","0.002","90","","93.95","0.02","90","","699.9","0.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 Mg2 O9 -","- As2 H4 Mg2 O9 -","- As8 H16 Mg8 O36 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.0253","","","0.0278","","","","","0.997","0.997","","","","","has coordinates","278315","2022-10-03","11:11:45",""
"2004958","6.496","0.021","14.211","0.006","7.628","0.004","90","","93.91","0.04","90","","703","2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 O9 Zn2 -","- As2 O9 Zn2 -","- As8 O36 Zn8 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.059","","","0.0616","","","","","0.76","0.76","","","","","has coordinates","278318","2022-10-03","11:48:11",""
"2004959","7.429","0.002","13.906","0.009","9.157","0.002","90","","110.72","0.02","90","","884.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium Molybdenyl Diarsenate","","- As2 K2 Mo O9 -","- As2 K2 Mo O9 -","- As8 K8 Mo4 O36 -","4","1","BR1131","Zid, M. F.; Jouini, T.","K~2~MoO~2~As~2~O~7~","Acta Crystallographica Section C","1996","52","6","1334","1336","10.1107/S0108270195016726","","","0.71069","MoKα","","0.0368","0.0247","","0.052","0.0494","","","","1.221","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004960","9.491","0.003","12.201","0.006","18.786","0.012","81.27","0.03","81.02","0.02","71.12","0.02","2021.2","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","barium decavanadate enneahydrate","","- Ba3 H6 O31 V10 -","- Ba3 O47 V10 -","- Ba6 O94 V20 -","2","1","BR1133","Kamenar, B.; Cindrić, M.; Strukan, N.","Ba~3~[V~10~O~28~].19H~2~O","Acta Crystallographica Section C","1996","52","6","1338","1341","10.1107/S0108270195017124","","","0.71069","MoKα","","0.081","0.0587","","0.1869","0.1557","","","","1.031","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004961","17.797","0.003","10.2594","0.0006","7.4438","0.0005","90","","98.44","0.01","90","","1344.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrophenyl-α-D-mannopyranoside hemihydrate","","- C24 H32 N2 O17 -","- C24 H32 N2 O17 -","- C48 H64 N4 O34 -","2","1","CF1032","Fernandez-Castaño, C.; Foces-Foces, C.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Hemihydrate","Acta Crystallographica Section C","1996","52","6","1586","1588","10.1107/S0108270196000728","","","1.5418","CuKα","","0.069","0.069","","0.069","0.069","","","","1.017","1.017","1.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004962","6.7341","0.0006","19.76","0.002","8.1797","0.0015","90","","102.085","0.009","90","","1064.3","0.2","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-adamantanedicarboxylic acid","","- C12 H16 O4 -","- C12 H15.806 O4 -","- C48 H63.224 O16 -","4","1","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1444","0.0499","","0.1458","0.1233","","","","0.863","1.186","1.186","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004963","23.677","0.014","7.739","0.005","14.73","0.014","90","","110.23","0.05","90","","2533","3","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-Adamantanediacetic acid","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1517","0.0654","","0.186","0.1641","","","","0.967","1.327","1.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004964","9.548","0.007","11.924","0.011","12.714","0.01","90","","94.68","0.06","90","","1443","2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 I2 Sn -","- C12 H10 I2 Sn -","- C48 H40 I8 Sn4 -","4","1","CF1048","Howie, R. A.; Wardell, J. L.","Diphenyltin Diiodide","Acta Crystallographica Section C","1996","52","6","1424","1426","10.1107/S0108270195016945","","","0.71073","MoKα","","","0.048","","","0.066","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004965","7.839","0.007","8.281","0.007","13.113","0.009","92.77","0.06","104.85","0.06","120.82","0.06","689.9","1.1","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","1","CF1050","Howie, R. A.; Wardell, J. L.","Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1996","52","6","1533","1534","10.1107/S010827019600073X","","","0.71073","MoKα","","","0.049","","","0.042","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004966","6.884","0.001","8.809","0.002","12.17","0.002","90","","91.99","0.03","90","","737.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","CF1053","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1<i>S</i>,6<i>R</i>,9<i>S</i>)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","Acta Crystallographica Section C","1996","52","6","1456","1458","10.1107/S0108270195016581","","","0.71073","MoKα","","0.0637","0.0396","","0.133","0.0908","","","","1.039","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004967","10.359","0.002","12.218","0.002","13.53","0.003","90","","110.64","0.03","90","","1602.5","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Flurtamone","Flurtamone, 5-methylamino-2-phenyl-4 (a,a,a,-trifluoro-m-tolyl) furan-3(2H)-one.","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","CF1058","Pèpe, G.; Pfefer, G.; Astier, J. P.; Marchal, P.; Bossy, A.","Flurtamone","Acta Crystallographica Section C","1996","52","6","1514","1516","10.1107/S0108270196000868","","","1.5418","CuKα","","0.056","0.056","","0.056","0.056","","","","0.78","0.78","0.78","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004968","3.841","0.001","27.234","0.003","7.3616","0.0008","90","","102.09","0.014","90","","753","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium phthalimide","","","- C8 H4 K N O2 -","- C8 H4 K N O2 -","- C32 H16 K4 N4 O8 -","4","1","CF1066","Nagel, N.; Bock, H.; Bats, J. W.","Potassium Phthalimide","Acta Crystallographica Section C","1996","52","6","1344","1346","10.1107/S0108270196002387","","","1.5418","CuKα","","0.038","0.0323","","0.1007","0.0894","","","","1.092","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004969","9.803","0.002","10.467","0.003","23.386","0.004","90","","95.69","0.01","90","","2387.8","0.9","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 O3 P S -","- C28 H21 O3 P S -","- C112 H84 O12 P4 S4 -","4","1","DE1007","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide","Acta Crystallographica Section C","1996","52","6","1556","1558","10.1107/S0108270195015538","","","0.71073","MoKα","","","0.042","","","0.051","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004970","7.63","0.001","35.156","0.005","8.505","0.001","90","","90","","90","","2281.4","0.5","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","DE1008","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.","7-Methoxyvasicinone Hydrate","Acta Crystallographica Section C","1996","52","6","1491","1493","10.1107/S0108270195010870","","","0.71073","MoKα","","","0.049","","","0.149","","","","","0.703","0.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004971","10.683","0.002","16.996","0.005","18.77","0.003","90","","90","","90","","3408","1.3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","DE1018","Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.","<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~","Acta Crystallographica Section C","1996","52","6","1563","1565","10.1107/S0108270195015149","","","1.54184","CuKα","","","0.045","","","0.053","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004972","21.04","0.002","7.936","0.002","20.444","0.002","90","","116.44","0.01","90","","3056.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Spermine dilithium cyclohexaphosphate tetrahydrate","4,9,12-triazoniadoceylammonium Dilithiumcyclohexaphosphate Tetrahydrate","","- C10 H38 Li2 N4 O22 P6 -","- C10 H38 Li2 N4 O22 P6 -","- C40 H152 Li8 N16 O88 P24 -","4","0.5","DU1143","Gharbi, A.; Jouini, A.","4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1342","1344","10.1107/S0108270196000558","","","0.71069","MoKα","","0.0479","0.0326","","0.1092","0.0948","","","","0.906","0.881","0.881","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004973","9.531","0.001","12.12","0.001","14.327","0.002","64.34","0.02","70.61","0.01","82.9","0.01","1406.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Ce N6 O20 -","- C42 H26 Ce2 N12 O40 -","- C42 H26 Ce2 N12 O40 -","1","0.5","FG1076","Tahir, M. N.; Ülkü, D.; Ünaleroglu, C.; Mövsümov, E. M.","Cerium 3,5-Dinitrobenzoate Dihydrate","Acta Crystallographica Section C","1996","52","6","1449","1451","10.1107/S010827019600011X","","","0.71073","MoKα","","","0.044","","","0.044","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004974","11.598","0.001","14.526","0.001","10.612","0.001","90","","111.5","0.01","90","","1663.4","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.0641","0.0471","","0.0699","0.0648","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004975","14.328","0.004","15.292","0.003","8.673","0.002","90","","90","","90","","1900.3","0.8","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1097","0.0482","","0.0745","0.0537","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004976","12.018","0.001","19.517","0.002","8.606","0.001","90","","109.92","0.01","90","","1897.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C19 H20 N2 O6 -","- C19 H21 N2 O6 -","- C76 H84 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1452","0.0587","","0.1605","0.1064","","","","0.984","1.134","1.134","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004977","14.021","0.002","15.613","0.002","15.43","0.002","116.34","0.01","124.84","0.01","75.36","0.01","2484.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[NBDRh(II-phophos)~2~](BF~4~)~3~","Bis{2-(diphenylphosphinoethyl)trimethylphosphonium}(norbornadiene)rhodium(I) Fluoroborate","","- C43 H58 B3 F12 P4 Rh -","- C43 H58 B3 F12.003 P4 Rh -","- C86 H116 B6 F24.006 P8 Rh2 -","2","1","FG1107","Roszak, A. W.; Renaud, E.; Baird, M. C.","Bis{[3-(diphenylphosphino)propyl]trimethylphosphonium-<i>P</i>}[(2,3,5,6-η)-norbornadiene]rhodium(I) Tris(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","6","1359","1362","10.1107/S0108270195017069","","","0.71069","MoKα","","0.0962","0.0495","","0.1591","0.1228","","","","1.112","1.155","1.155","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004978","23.144","0.003","4.036","0.001","20.956","0.003","90","","103.89","0.01","90","","1900.2","0.6","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 S4 -","- C9 H4 S4 -","- C72 H32 S32 -","8","1","FG1109","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","[1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione","Acta Crystallographica Section C","1996","52","6","1503","1505","10.1107/S0108270195016532","","","0.71069","MoKα","","","0.0562","","","0.0569","","","","","2.856","2.856","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2004979","12.2102","0.0008","31.464","0.002","8.368","0.002","90","","90","","90","","3214.8","0.8","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N4 O4 -","- C31 H48 N4 O5 -","- C124 H192 N16 O20 -","4","1","FG1120","Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.","Hemiasterlin Methyl Ester","Acta Crystallographica Section C","1996","52","6","1525","1527","10.1107/S0108270195016556","","","1.5418","CuKα","","","0.0391","","","0.0375","","","","","2.207","2.207","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004980","3.756","0.001","14.191","0.001","10.911","0.001","90","","99.18","0.01","90","","574.12","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-aminopyrazine-2-carboxylic acid","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","FG1125","A. J. Dobson; R. E. Gerkin","3-Aminopyrazine-2-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1512","1514","10.1107/S0108270195016416","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004981","10.454","0.002","5.507","0.002","18","0.002","90","","99.9","0.01","90","","1020.8","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alpha-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.048","","","0.037","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004982","9.308","0.002","12.464","0.002","17.833","0.002","90","","95.29","0.01","90","","2060.1","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Beta-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","2","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004983","12.129","0.001","11.116","0.001","9.716","0.001","90","","93.95","0.01","90","","1306.9","0.2","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Author's name) catena-Poly[(μ2-O,μ-N'(di-2-pyridyl ketone)-N,O)μ2-O,μ-N(di-2- pyridyl ketone)-N',O]silver(I) tetrafluoroborate","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F8 N2 O -","- C44 H32 Ag4 B4 F32 N8 O4 -","4","0.5","FG1132","Sommerer, S. O.; Westcott, B. L.; Jircitano, A. J.; Abboud, K. A.","<i>catena</i>-Poly[silver-μ-(di-2-pyridyl ketone)-<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>] Tetrafluoroborate","Acta Crystallographica Section C","1996","52","6","1426","1428","10.1107/S0108270196001503","","","0.71073","MoKα","","0.0598","0.0456","","0.0671","0.0584","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004984","16.139","0.001","5.117","0.001","26.887","0.002","90","","90","","90","","2220.4","0.5","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","Xanthene-9-carboxylic acid","","","- C14 H10 O3 -","- C14 H10 O3 -","- C112 H80 O24 -","8","2","FG1134","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Xanthene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1486","1488","10.1107/S0108270195016167","","","0.71073","MoKα","","","0.058","","","0.046","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004985","3.809","0.001","19.911","0.002","13.206","0.002","90","","91.28","0.01","90","","1001.3","0.3","296","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","1","FG1139","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1535","1537","10.1107/S0108270195016155","","","0.71073","MoKα","","0.129","0.047","","0.117","0.091","","","","0.75","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004986","8.031","0.002","10.583","0.002","14.655","0.004","90","","96.25","0.03","90","","1238.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Pt(MeIm)~4~](ClO~4~)~2~","Tetrakis(1-methylimidazole)platinum(II) Perchlorate","","- C16 H24 Cl2 N8 O8 Pt -","- C16 H24 Cl2 N8 O8 Pt -","- C32 H48 Cl4 N16 O16 Pt2 -","2","0.5","FG1141","Roszak, A. W.; Clement, O.; Buncel, E.","A Monoclinic Form of Tetrakis(1-methylimidazole-<i>N</i>^3^)platinum(II) Diperchlorate","Acta Crystallographica Section C","1996","52","6","1362","1365","10.1107/S0108270196000984","","","0.71069","MoKα","","0.058","0.0313","","0.0995","0.0847","","","","1.052","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004987","12.214","0.003","3.0371","0.0009","5.7981","0.0009","90","","103.83","0.02","90","","208.85","0.09","273.2","","273","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga8 O12 -","4","0.5","FG1144","Åhman, J.; Svensson, G.; Albertsson, J.","A Reinvestigation of β-Gallium Oxide","Acta Crystallographica Section C","1996","52","6","1336","1338","10.1107/S0108270195016404","","","0.7107","MoKα","","","0.022","","","0.032","","","","","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004988","14.204","0.002","16.381","0.003","11.878","0.002","96.13","0.01","92.42","0.01","64.94","0.01","2489.2","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl3.86 O0.14 P2 Re -","- C36 H30 Cl4 O0.666667 P2 Re -","- C108 H90 Cl12 O2 P6 Re3 -","3","1.5","FG1149","Luo, H.; Orvig, C.; Rettig, S. J.","<i>trans</i>-Tetrachlorobis(triphenylphosphine-<i>P</i>)rhenium(IV)‒<i>mer</i>-<i>trans</i>-Trichlorooxobis(triphenylphosphine-<i>P</i>)rhenium(V) (0.86/0.14)","Acta Crystallographica Section C","1996","52","6","1377","1380","10.1107/S0108270196001710","","","0.71069","MoKα","","","0.032","","","0.025","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004989","11.105","0.002","8.978","0.002","17.219","0.001","90","","90.13","0.01","90","","1716.7","0.5","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Cl N3 -","- C19 H20 Cl N3 -","- C76 H80 Cl4 N12 -","4","1","FG1153","Parvez, M.; Sabir, A. P.","Clemizole","Acta Crystallographica Section C","1996","52","6","1572","1574","10.1107/S0108270196000819","","","0.71069","MoKα","","","0.0473","","","0.0472","","","","","2.825","2.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004990","9.45","0.002","12.383","0.003","14.453","0.002","90","","90","","90","","1691.3","0.6","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 O2 Si W -","- C14 H26 O2 Si W -","- C56 H104 O8 Si4 W4 -","4","0.5","FG1161","Legzdins, P.; Rettig, S. J.; Sayers, S. F.","Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)","Acta Crystallographica Section C","1996","52","6","1355","1357","10.1107/S0108270196001217","","","0.71069","MoKα","","0.0962","0.0284","","0.0313","0.0257","","","","","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004991","8.744","0.002","11.087","0.002","14.511","0.003","106.16","0.02","102.98","0.02","75.31","0.02","1288.9","0.5","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-(4-nitrophenyl)-6[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]benzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C58 H52 N4 O16 -","2","1","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.1","0.049","","","0.064","","","","","1.758","1.758","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004992","11.477","0.001","15.123","0.002","17.242","0.002","105.78","0.01","99.22","0.01","107.83","0.01","2642.9","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]phenyl-6-nitrobenzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C116 H104 N8 O32 -","4","2","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.211","0.069","","","0.093","","","","","2.505","2.505","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004993","7.392","0.001","9.888","0.002","10.814","0.002","90","","99.59","0.03","90","","779.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-nitroacetophenone","1-(3-nitrophenyl)-ethanone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1154","Feeder, N.; Jones, W.; Chorlton, A. P.; Docherty, R.","3-Nitroacetophenone","Acta Crystallographica Section C","1996","52","6","1454","1456","10.1107/S0108270195015939","","","0.71073","MoKα","","0.2084","0.0613","","0.2315","0.1592","","","","1.003","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004994","7.022","0.002","9.532","0.002","15.811","0.009","90","","99.03","0.03","90","","1045.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-phthalimidoperpropanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-propaneperoxoic acid","","- C11 H9 N O5 -","- C11 H8 N O5 -","- C44 H32 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1976","0.0707","","0.2769","0.1978","","","","1.001","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004995","7.968","0.002","8.463","0.002","9.4295","0.001","85.473","0.01","113.31","0.02","105.37","0.02","562.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","4-phthalimidoperbutanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-butaneperoxoic acid","","- C12 H11 N O5 -","- C12 H10 N O5 -","- C24 H20 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.0975","0.0439","","0.1378","0.1121","","","","1","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004996","6.7773","0.001","4.7222","0.001","19.935","0.004","90","","98.22","0.02","90","","631.4","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-phthalimidoperpentanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid","","- C13 H13 N O5 -","- C13 H12 N O5 -","- C26 H24 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1621","0.0611","","0.202","0.1526","","","","1.014","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004997","19.028","0.005","4.5724","0.001","15.517","0.006","90","","90.16","0.03","90","","1350","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phthalimidoperhexanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-hexaneperoxoic acid","","- C14 H15 N O5 -","- C14 H14 N O5 -","- C56 H56 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.214","0.0497","","0.16","0.1055","","","","0.914","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004998","9.681","0.005","5.301","0.003","13.956","0.006","90","","96.16","0.04","90","","712.1","0.6","153","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-isoleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","HA1156","Görbitz, Carl Henrik; Dalhus, Bjørn","L-Isoleucine, Redetermination at 120 K","Acta Crystallographica Section C","1996","52","6","1464","1466","10.1107/S0108270195016386","","","0.71069","MoKα","","0.0717","0.0524","","0.1316","0.1223","","","","1.009","1.065","1.065","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2004999","8.696","0.003","10.421","0.004","17.113","0.008","76.63","0.05","87.31","0.06","72.23","0.05","1436.3","1.1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 N4 O4 P Rh -","- C30 H38 N4 O4 P Rh -","- C60 H76 N8 O8 P2 Rh2 -","2","1","HR1052","Kettmann, V.; Dunaj-Jurčo, M.; Steinborn, D.; Ludwig, M.","<i>tert</i>-Butylbis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhodium","Acta Crystallographica Section C","1996","52","6","1399","1401","10.1107/S0108270195010912","","","0.71073","MoKα","","","0.055","","","0.068","","","","","1.27","1.27","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2005000","7.442","0.003","10.255","0.005","16.128","0.008","90","","90.92","0.05","90","","1230.7","1","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C52 H56 N8 O12 S4 -","4","1","JZ1026","Kettmann, V.; Svetlik, J.","Methyl 9-Methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1996","52","6","1496","1499","10.1107/S0108270195008924","","","0.71073","MoKα","","","0.057","","","0.065","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005001","8.233","0.002","10.953","0.002","11.636","0.007","63.85","0.03","80.76","0.02","84.79","0.02","929.4","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0624","0.0426","","0.1324","0.1269","","","","1.126","1.247","1.247","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005002","8.168","0.002","10.919","0.004","11.437","0.008","64.24","0.05","80.03","0.03","84.72","0.03","904.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0355","0.0283","","0.0816","0.0797","","","","1.032","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005003","7.75","0.003","8.474","0.003","13.683","0.007","104.49","0.04","100.02","0.03","102.83","0.03","822.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl4 Cu N4 S2 -","- C8 H14 Cl4 Cu N4 S2 -","- C16 H28 Cl8 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0404","0.0284","","0.0774","0.0758","","","","1.03","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005004","7.7451","0.0007","7.7451","0.0007","5.6351","0.0006","90","","90","","90","","338.03","0.06","295","2","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","","","- Bi7.5 O12 Y0.5 -","- Bi8 O12 -","- Bi8 O12 -","1","0.0625","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.041","","","","","","","","","","","","","","has coordinates","209442","2020-10-21","18:00:00",""
"2005005","7.7069","0.0006","7.7069","0.0006","5.6735","0.0004","90","","90","","90","","336.98","0.04","295","2","","","","","","","","","","3","P 42/n m c","","","","","","- Bi7.68 O12.16 Ti0.32 -","- Bi8 O12.16 -","- Bi8 O12.16 -","1","","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.043","","","","","","","","","","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2005006","10.456","0.002","12.237","0.002","9.531","0.001","90","","111","0.01","90","","1138.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R^*^,4S^*^,6S^*^)-4-chloro-4-methyl-8-oxo-1-azabicyclo[4.2.0]octane -2-carboxylic acid methyl ester","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C40 H56 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.049","0.049","","0.049","0.049","","","","0.87","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005007","9.732","0.002","13.903","0.003","9.116","0.002","90","","99.99","0.01","90","","1214.7","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C44 H64 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.048","0.048","","0.047","0.047","","","","0.783","0.783","0.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005008","10.5793","0.0005","13.524","0.0008","10.4365","0.0006","90","","118.305","0.005","90","","1314.66","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R^*^,6S^*^,10R^*^)-3oxo-6-vinyl-oactahydro-pyrrolo[1,2-a]azepine-5- carboxylic acid methyl ester","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","1.5418","CuKα","","0.047","0.047","","0.042","0.042","","","","0.643","0.643","0.643","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005009","7.418","0.001","10.814","0.002","14.039","0.002","105.4","0.01","90.26","0.01","109.97","0.01","1014.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Mer-(2'-benzoylisopropylidene-1-naphthohydrazido)-methanol-cis-dioxo- molybdenum(VI)","","- C22 H20 Mo N2 O5 -","- C22 H20 Mo N2 O5 -","- C44 H40 Mo2 N4 O10 -","2","1","JZ1096","Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K.","<i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2‒)](methanol)-<i>cis</i>-dioxo-molybdenum(VI)","Acta Crystallographica Section C","1996","52","6","1375","1377","10.1107/S010827019600039X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","0.88","0.88","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2005010","11.533","0.003","20.585","0.006","12.217","0.002","90","","97.2","0.02","90","","2877.5","1.2","213","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H102 Li4 O2 P4 -","- C46 H102 Li4 O2 P4 -","- C92 H204 Li8 O4 P8 -","2","0.5","JZ1099","Rabe, G. W.; Riede, J.; Schier, A.","[Li~2~(μ~3~-^<i>t^</i>Bu~2~ P)(μ~2~-^<i>t^</i>Bu~2~P)(thf)]~2~: a Redetermination","Acta Crystallographica Section C","1996","52","6","1350","1352","10.1107/S0108270195017094","","","0.71073","MoKα","","","0.0552","","","0.1216","","","","","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005011","6.086","0.001","11.99","0.001","23.831","0.002","90","","90","","90","","1739","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β-hydroxy-20methyl-pregn-5,14-dien-16-on(18‒20) lactone","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","JZ1101","Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L.","The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18‒20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam","Acta Crystallographica Section C","1996","52","6","1574","1576","10.1107/S0108270195017045","","","1.5418","CuKα,Nifilter","","0.0909","0.0436","","0.1323","0.1081","","","","1.052","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005012","10.166","0.001","12.206","0.001","20.873","0.002","90","","102.2","0.01","90","","2531.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)1,3-diazetidine","","- C26 H44 N4 -","- C26 H44 N4 -","- C104 H176 N16 -","4","1","JZ1103","Goj, O.; Haufe, G.; Fröhlich, R.","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide","Acta Crystallographica Section C","1996","52","6","1554","1556","10.1107/S0108270196000522","","","1.54178","CuKα","","0.0634","0.0505","","0.1557","0.1509","","","","1.057","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005013","6.73","0.003","12.887","0.003","8.274","0.002","90","","107.26","0.02","90","","685.3","0.4","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","JZ1106","Suga, T.; Okabe, N.","Bis(pyridine-2,3-dicarboxylato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","1996","52","6","1410","1412","10.1107/S0108270196001126","","","0.71069","MoKα","","","0.041","","","0.051","","","","","1.56","1.56","","","","","has coordinates","198397","2020-10-21","18:00:00",""
"2005014","11.871","0.002","11.586","0.003","5.707","0.002","90","","98.75","0.02","90","","775.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl2 Cr2 N2 O6 -","- C10 H10 Cl2 Cr2 N2 O6 -","- C20 H20 Cl4 Cr4 N4 O12 -","2","0.5","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005015","9.685","0.002","11.679","0.002","11.022","0.002","90","","112.28","0.03","90","","1153.6","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C40 H40 Cl4 Cr4 N4 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0708","","","0.1986","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005016","6.748","0.005","7.957","0.005","11.611","0.002","104.89","0.01","100.34","0.03","92.11","0.03","590.5","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C20 H20 Cl2 Cr2 N2 O6 -","2","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0601","","","0.1578","","","","","1.341","1.341","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005017","12.157","0.002","12.265","0.003","6.316","0.002","90","","114.5","0.03","90","","857","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Cl2 Cr N2 O3 -","- C2 H10 Cl2 Cr N2 O3 -","- C8 H40 Cl8 Cr4 N8 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.07","","","0.086","","","","","1.138","1.138","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005018","6.396","0.002","10.915","0.005","19.192","0.005","90","","92.83","0.03","90","","1338.2","0.8","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cl2 Cr N3 O3 -","- C10 H7 Cl2 Cr N3 O3 -","- C40 H28 Cl8 Cr4 N12 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005019","11.194","0.002","10.492","0.002","6.976","0.002","94.62","0.02","97.78","0.02","102.54","0.02","787.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","sodium [1,3-propanodiylbis(oximato)cupprate(II)] hexahydrate","","- C7 H18 Cu N2 Na2 O12 -","- C7 H18 Cu N2 Na2 O12 -","- C14 H36 Cu2 N4 Na4 O24 -","2","1","KA1157","Rodríguez-Romero, F. V.; Ruiz-Pérez, C.; Solans, X.","Disodium [<i>N</i>,<i>N</i>'-(1,3-Propanediyl)bis(oxamato-<i>N</i>,<i>O</i>)]cuprate(II) Hexahydrate","Acta Crystallographica Section C","1996","52","6","1415","1417","10.1107/S010827019600114X","","","0.71069","MoKα","","","0.0719","","0.1872","0.0774","","","","1.076","0.948","0.948","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005020","10.749","0.006","13.068","0.005","22.643","0.009","90","","90","","90","","3181","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N2 O6 -","- C38 H43 N2 O7 -","- C152 H172 N8 O28 -","4","1","KA1162","Sivý, J.; Kettmann, V.; Kostálová, D.; Vrábel, V.","Oxyacanthine","Acta Crystallographica Section C","1996","52","6","1479","1482","10.1107/S0108270195015927","","","0.71073","MoKα","","","0.053","","0.1077","0.055","","","","1.228","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005021","11.354","0.005","11.354","0.005","11.354","0.005","107.21","0.05","107.21","0.05","107.21","0.05","1211.9","1.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","3,7,10-tribenzyl-3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","0.333333","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.085","0.0544","","0.1357","0.1153","","","","1.131","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005022","13.283","0.007","11.748","0.006","8.533","0.004","103.94","0.05","96.87","0.05","104.87","0.05","1225.5","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-p-tolyl-7,10-dibenzyl3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.0982","0.061","","0.1365","0.1159","","","","1.081","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005023","35.656","0.02","9.652","0.005","11.018","0.006","90","","90","","90","","3792","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-oxa-7,10-dibenzyl-7,10-triaza[3.3.3]propellane","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.1679","0.0702","","0.1691","0.1271","","","","0.982","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005024","9.761","0.002","12.422","0.002","12.486","0.002","108.27","0.01","101.26","0.02","100.02","0.02","1364.2","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","(N,N-Dimethyldithiocarbamoylacetato)trimethyltin","","- C8 H17 N O2 S2 Sn -","- C8 H17 N O2 S2 Sn -","- C32 H68 N4 O8 S8 Sn4 -","4","2","KH1073","Ng, S. W.; Kumar Das, V. G.","[(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthio)acetato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1371","1373","10.1107/S0108270196001874","","","0.71073","MoKα","","0.0486","0.0385","","0.0991","0.0928","","","","1.095","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005025","9.17","0.001","16.135","0.0009","17.697","0.002","90","","96.98","0.006","90","","2599","0.4","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-diethylphosphonopropionato)triphenyltin","","- C25 H29 O5 P Sn -","- C25 H29 O5 P Sn -","- C100 H116 O20 P4 Sn4 -","4","1","KH1075","Ng, S. W.; Kumar Das, V. G.","[3-(Diethylphosphono)propionato]triphenyltin","Acta Crystallographica Section C","1996","52","6","1373","1375","10.1107/S0108270196001886","","","0.71073","MoKα","","0.0545","0.0355","","0.0827","0.0767","","","","0.971","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005026","34.086","0.005","10.0389","0.0009","23.778","0.004","90","","110.114","0.006","90","","7640.3","1.9","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide triphenylphosphine oxide","","- C43 H34 N O4 P S Sn -","- C43 H34 N O4 P S Sn -","- C344 H272 N8 O32 P8 S8 Sn8 -","8","1","KH1076","Ng, S. W.","2-Triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-Dioxide‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1996","52","6","1365","1367","10.1107/S0108270196001898","","","0.71073","MoKα","","0.0768","0.0485","","0.1178","0.1078","","","","1.018","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005027","9.1876","0.0006","9.593","0.001","11.0473","0.0007","78.839","0.008","65.036","0.005","86.203","0.009","865.88","0.13","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","butyldiichlorophenyltin.1,2-(diphenylphosphoryl)ehtane","","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","1","0.5","KH1077","Ng, S. W.; Kumar Das, V. G.","Butyldichlorophenyltin‒1,2-Bis(diphenylphosphoryl)ethane (1/1)","Acta Crystallographica Section C","1996","52","6","1367","1369","10.1107/S0108270196001904","","","0.71073","MoKα","","0.0536","0.0407","","0.1091","0.1006","","","","1.063","1.114","1.114","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005028","9.482","0.002","17.146","0.003","16.931","0.004","90","","98.72","0.02","90","","2720.8","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-iso-propylammonium triphenylstannylthiolyacetate","","- C26 H33 N O2 S Sn -","- C26 H33 N O2 S Sn -","- C104 H132 N4 O8 S4 Sn4 -","4","1","KH1078","Ng, S. W.; Kumar Das, V. G.; Yap, G.; Rheingold, A. L.","Diisopropylammonium (Mercaptoacetato-<i>S</i>,<i>O</i>)triphenylstannate","Acta Crystallographica Section C","1996","52","6","1369","1371","10.1107/S0108270196001916","","","0.71073","MoKα","","0.055","0.0351","","0.0834","0.0745","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005029","21.9","0.007","6.368","0.002","8.939","0.002","90","","93.51","0.02","90","","1244.3","0.6","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","KH1087","Honda, T.; Fujii, I.; Hirayama, N.; Ishikawa, D.; Kawagishi, H.; Song, K.-S.; Yoo, I.-D.","(14α,22<i>E</i>)-14-Hydroxyergosta-4,7,22-triene-3,6-dione, C~28~H~40~O~3~","Acta Crystallographica Section C","1996","52","6","1550","1552","10.1107/S0108270196000030","","","1.54184","CuKα","","","0.039","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005030","10.538","0.001","8.895","0.001","16.031","0.001","90","","102.742","0.009","90","","1465.7","0.2","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","LI1142","Zukerman-Schpector, J.; Caracelli, I.; de Oliveira, S. Ma.; Faria de Medeiros, E.; Brocksom, T. J.","A Key Intermediate in the Synthesis of (+)-Hernandulcin","Acta Crystallographica Section C","1996","52","6","1579","1581","10.1107/S010827019600008X","","","0.71073","MoKα","","0.1881","0.0535","","0.1715","0.1048","","","","1.127","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005031","8.37","0.003","8.8948","0.0014","23.441","0.004","90","","90","","90","","1745.2","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","","- C21 H20 Np O -","- C21 H20 Np O -","- C84 H80 Np4 O4 -","4","1","MU1209","De Ridder, D. J. A.; Apostolidis, C.; Rebizant, J.; Kanellakopulos, B.; Maier, R.","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","Acta Crystallographica Section C","1996","52","6","1436","1438","10.1107/S0108270195014582","","","0.71073","MoKα","","0.0334","0.033","","0.077","0.0765","","","","0.978","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005032","17.832","0.002","15.088","0.001","11.023","0.001","90","","103.26","0.01","90","","2886.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:2 complex of 1,4,10-trioxa-7,13-diazacyclopentadecane and picric acid.","","- C22 H28 N8 O17 -","- C22 H28 N8 O17 -","- C88 H112 N32 O68 -","4","1","MU1223","Saleh, M. I.; Salhin, A.; Saad, B.; Sivakumar, K.; Fun, H.-K.","A 1:2 Host‒Guest Complex of Diaza-15-crown-5 with Picric Acid","Acta Crystallographica Section C","1996","52","6","1509","1512","10.1107/S010827019501691X","","","0.71073","MoKα","","0.0775","0.0466","","0.1343","0.1219","","","","0.981","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005033","10.52","0.001","10.89","0.001","12.854","0.001","74.62","0.01","72.55","0.01","64.7","0.01","1253.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl Tris-(2-methoxyphenyl)phosphine Chromium(0).","","- C26 H21 Cr O8 P -","- C26 H21 Cr O8 P -","- C52 H42 Cr2 O16 P2 -","2","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0374","0.0335","","0.1042","0.1016","","","","1.052","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005034","10.889","0.002","16.395","0.002","14.808","0.002","90","","92.57","0.01","90","","2640.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl tris(2-methoxyphenyl)phosphine Molybdenum(0).","","- C26 H21 Mo O8 P -","- C26 H21 Mo O8 P -","- C104 H84 Mo4 O32 P4 -","4","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0605","0.035","","0.0849","0.0781","","","","0.899","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005035","8.682","0.001","13.983","0.001","9.956","0.001","90","","96.66","0.01","90","","1200.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-hydroxy-2(1H)-pyridinethionato-O,S']palladium(II).","","- C10 H8 N2 O2 Pd S2 -","- C10 H8 N2 O2 Pd S2 -","- C40 H32 N8 O8 Pd4 S8 -","4","1","MU1242","Song, B.-L.; Xiong, R.-G.; Wang, H.; Zuo, J.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1996","52","6","1403","1405","10.1107/S0108270196001539","","","0.71073","MoKα","","0.0288","0.0257","","0.0702","0.0687","","","","1.024","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005036","7.941","0.003","12.81","0.004","13.509","0.004","90","","90.93","","90","","1374","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br2 Cu N3 -","- C12 H11 Br2 Cu N3 -","- C48 H44 Br8 Cu4 N12 -","4","1","NA1146","Garland, M. T.; Manzur, J.; Moreno, Y.; Spodine, E.; Baggio, R.; González, O.","Dibromo[<i>N</i>-(2-pyridylmethylidene)-2-pyridylmethylamine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Complex","Acta Crystallographica Section C","1996","52","6","1405","1407","10.1107/S0108270195017021","","","0.71073","MoKα","","0.0432","0.0301","","0.077","0.0731","","","","1.013","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005037","7.826","0.002","14.606","0.004","8.83","0.003","90","","96.58","0.02","90","","1002.7","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Au Cl3 N O -","- C6 H7 Au Cl3 N O -","- C24 H28 Au4 Cl12 N4 O4 -","4","1","NA1179","Bruni, B.; Ferraroni, M.; Orioli, P.; Speroni, G.","A Biologically Active Gold Complex: Trichloro[(2-pyridyl)methanol-<i>N</i>]gold(III)","Acta Crystallographica Section C","1996","52","6","1423","1424","10.1107/S0108270195008067","","","0.71073","MoKα","","","0.0515","","","0.141","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005038","19.649","0.003","19.649","0.003","10.704","0.002","90","","90","","90","","4132.6","1.2","111","2","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis[(μu3-5-methylthiophene-C2)-(diethylether-O)-lithium","","- C36 H60 Li4 O4 S4 -","- C36 H60 Li4 O4 S4 -","- C144 H240 Li16 O16 S16 -","4","0.25","NA1208","Powell, D. R.; Whipple, W. L.; Reich, H. J.","Tetrakis(μ~3~-2-methyl-5-thienyl)tetrakis(diethyl ether-<i>O</i>)-<i>tetrahedro</i>-tetralithium","Acta Crystallographica Section C","1996","52","6","1346","1348","10.1107/S0108270196000546","","","1.54184","CuKα","","","0.0727","","0.1918","0.1701","","","","1.097","1.243","1.243","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2005039","11.059","0.002","32.367","0.006","18.933","0.003","90","","97.41","0.03","90","","6720","2","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Fe4 O12 Se3 -","- C26 H14 Fe4 O12 Se3 -","- C208 H112 Fe32 O96 Se24 -","8","2","NA1209","Song, L.-C.; Hu, Q.-M.; Yan, C.-G.; Wang, R.-J.; Mak, T. C. W.","The First μ~4~-Se Spiro-Type Fe~4~Se~3~ Cluster: [(μ-4-CH~3~-C~6~H~4~Se)Fe~2~(CO)~6~]~2~(μ~4~-Se)","Acta Crystallographica Section C","1996","52","6","1357","1359","10.1107/S0108270196000613","","","0.71073","MoKα","","","0.06","","","0.053","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005040","14.664","0.013","7.697","0.008","5.08","0.005","90","","96.71","0.01","90","","569.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H9 Cl2 Cu N3 -","- C10 H9 Cl2 Cu N3 -","- C20 H18 Cl4 Cu2 N6 -","2","0.5","NA1211","Spodine, E.; Atria, A. M.; Baggio, R.; Garland, M. T.","Dichloro(di-2-pyridylamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1996","52","6","1407","1410","10.1107/S0108270196000601","","","0.71073","MoKα","","0.0387","0.0377","","0.0886","0.0877","","","","1.148","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005041","9.099","0.004","9.52","0.003","16.753","0.006","102.46","0.03","92.34","0.03","102.22","0.03","1379.2","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","disodium [4-carboxy-4,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11- triazatridecan-13-oato(5^-^)]europate(2^-^)","","- C22 H31 Eu N3 Na2 O13.5 -","- C22 H31 Eu N3 Na2 O13.5 -","- C44 H62 Eu2 N6 Na4 O27 -","2","1","NA1216","Dapporto, P.; Fedeli, F.; Paoli, P.; Uggeri, F.","Disodium Aqua[2,5,8-tris(carboxymethyl)-12-phenyl-2,5,8-triaza-11-oxa-1,9-dodecanedicarboxylato(5–)]europate Sesquihydrate","Acta Crystallographica Section C","1996","52","6","1438","1441","10.1107/S0108270196000972","","","0.71069","MoKα","","","0.066","","","0.148","","","","","1.14","1.14","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2005042","5.858","0.003","8.171","0.003","24.367","0.007","90","","90","","90","","1166.3","0.8","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-O-benzyl-β-L-arabinopyranose","1-O-benzyl-β-L-arabinopyranose","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0426","0.0327","","0.095","0.0913","","","","1.041","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005043","12.565","0.008","5.692","0.003","10.584","0.005","90","","102.66","0.05","90","","738.6","0.7","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0885","0.0373","","0.0971","0.0796","","","","1.03","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005044","8.106","0.004","11.353","0.006","11.546","0.006","90","","106.83","0.04","90","","1017","0.9","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0408","0.0352","","0.1086","0.1059","","","","1.085","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005045","8.738","0.002","9.998","0.002","15.307","0.003","90","","91.02","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~1~,S~2~,R~4~,S~S~)-Benzyl 3,3-diethoxycarbonyl-2-(p-tolylsulfinyl)- bicyclo[2.2.1]hept-5-ene-2-carboxylate","","- C28 H30 O7 S -","- C28 H30 O7 S -","- C56 H60 O14 S2 -","2","1","NS1006","Alonso, I.; López-Solera, I.; Raithby, P. R.","The Diels‒Alder Adduct of an Enantiopure Sulfinyl Trialkoxycarbonyl Ethene and Cyclopentadiene","Acta Crystallographica Section C","1996","52","6","1548","1550","10.1107/S0108270196000315","","","1.54178","CuKα","","0.0604","0.0505","","0.1391","0.129","","","","1.04","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005046","12.502","0.005","7.533","0.002","13.04","0.004","90","","112.97","0.03","90","","1130.7","0.7","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 Co N5 -","- C4 H12 Cl3 Co N5 -","- C16 H48 Cl12 Co4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.7107","MoKα","","","0.031","","","0.031","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005047","7.727","0.001","16.675","0.005","8.023","0.002","90","","115.25","0.02","90","","935","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.71069","MoKα","","","0.045","","","0.049","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005048","15.059","0.009","5.153","0.005","11.57","0.009","90","","90","","95.83","0.06","893.2","1.2","293","1","","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.047","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005049","13.449","0.004","7.44","0.005","15.811","0.004","90","","104.8","0.1","90","","1529.6","1.4","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H23 Cl N10 Ni O -","- C8 H23 Cl N10 Ni O -","- C32 H92 Cl4 N40 Ni4 O4 -","4","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.038","","","0.038","","","","","1.91","1.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005050","23.123","0.004","11.484","0.002","9.22","0.001","90","","95.05","0.03","90","","2438.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Chromene","8,8-dimethyl-[8H]-pyrano[3,2-f]quinolene","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","PA1202","Aldoshin, S.; Chuev, I.; Philipenko, O.; Pozzo, J. L.; Lokshin, V.; Pèpe, G.; Samat, A.","Photochromic Pyrido-Annelated 2,2-Dimethylchromene","Acta Crystallographica Section C","1996","52","6","1537","1539","10.1107/S0108270195016192","","","0.71069","MoKα","","0.0405","0.0405","","0.047","0.047","","","","0.957","1.188","1.188","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005051","15.312","0.003","5.024","0.001","12.514","0.003","90","","112.23","0.03","90","","891.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-imidazolidinone (Z)-oxime","","- C9 H11 N3 O -","- C9 H11 N3 O -","- C36 H44 N12 O4 -","4","1","PA1215","Suwinski, J.; Wagner, P.; Holt, E. M.","1-Phenyl-4-imidazolidinone (<i>Z</i>)-Oxime","Acta Crystallographica Section C","1996","52","6","1462","1464","10.1107/S0108270195016210","","","0.71073","MoKα","","","0.047","","","0.0475","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005052","7.556","0.002","11.587","0.002","20.255","0.004","90","","90","","90","","1773.4","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boldine hydrochloride","[6a-(S)-1,10-dimethoxy-2-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","PT1029","Asencio, M.; Cassels, B. K.; Manríquez, V.; Boys, D.","(<i>S</i>)-1,10-Dimethoxy-2,9-dihydroxyaporphinium Chloride (Boldine Hydrochloride), C~19~H~22~NO~4~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","6","1581","1583","10.1107/S0108270195016805","","","0.71073","MoKα","","0.0711","0.0409","","0.0512","0.0466","","","","","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005053","6.4262","0.001","9.1322","0.001","9.3627","0.001","90","","108.85","0.01","90","","519.98","0.12","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","PT1032","Aakeröy, C. B.; Bahra, G. S.; Nieuwenhuyzen, M.","Piperazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","6","1471","1473","10.1107/S0108270195016374","","","0.71073","MoKα","","","0.0248","","","0.0658","","","","","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005054","6.997","0.001","11.887","0.002","23.201","0.004","90","","90","","90","","1929.7","0.5","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","PT1035","Jiménez, M.; González de la Parra, M.; Melendez, E.; Campos, M. P.; Soriano-García, M.","Trinervinol","Acta Crystallographica Section C","1996","52","6","1458","1460","10.1107/S0108270195015599","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.256","1.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005055","8.664","0.002","12.314","0.004","19.763","0.004","90","","90","","90","","2108.5","0.9","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 -","- C23 H36 O4 -","- C92 H144 O16 -","4","1","PT1039","Soriano-García, M.; Jiménez, M.; González de la Parra, M.; Navarro, A.; Campos, M. P.","Acetonide-3-trinervinone","Acta Crystallographica Section C","1996","52","6","1460","1462","10.1107/S0108270195015617","","","0.71073","MoKα","","","0.052","","","0.073","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005056","11.653","0.002","12.045","0.001","12.594","0.002","90","","105.156","0.008","90","","1706.2","0.4","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H23 Co N2 O7 S2 -","- C11 H23 Co N2 O7 S2 -","- C44 H92 Co4 N8 O28 S8 -","4","2","PT1040","Yonemura, T.; Yasui, T.; Okamoto, K.-I.; Hidaka, J.","<i>trans</i>(S)-(<i>S</i>-Methyl-<small>D</small>-penicillaminato)(<small>D</small>-penicillaminesulfinato)cobalt(III) Monohydrate","Acta Crystallographica Section C","1996","52","6","1390","1392","10.1107/S0108270195015605","","","0.71073","MoKα","","","0.071","","","0.084","","","","","2.39","2.39","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005057","8.336","0.002","15.044","0.004","17.454","0.006","90","","99.46","0.02","90","","2159.1","1.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-2-hydroxyethyl-N,N-bis[1-methyl-2-benzimidazolylmethyl]aminechlorocopper(II) chloride hydrate","","- C20 H25 Cl2 Cu N5 O2 -","- C20 H24 Cl2 Cu N5 O2 -","- C80 H96 Cl8 Cu4 N20 O8 -","4","1","SK1011","Elliot, D.; Price, C. L.; Martin, L. L.; Taylor, M. R.","{2-[Bis(1-methyl-2-benzimidazolylmethyl)amino]-ethanol}chlorocopper(II) Chloride Hydrate","Acta Crystallographica Section C","1996","52","6","1421","1423","10.1107/S0108270196001205","","","0.71073","MoKα","","0.063","0.056","","0.106","0.104","","","","1.765","1.798","1.798","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005058","13.695","0.004","25.34","0.01","9.128","0.003","90","","90","","90","","3167.7","1.9","291","","291","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N2 O9 P Si -","- C26 H39 N2 O9 P Si -","- C104 H156 N8 O36 P4 Si4 -","4","1","SX1005","McEldoon, W. L.; Swenson, D. C.; Wiemer, D. F.","(2'<i>S</i>,3'<i>S</i>,4'<i>R</i>)-5'-<i>O</i>-Benzoyl-3'-deoxy-3'β-diethylphosphono-2'-<i>O</i>-<i>tert</i>-butyldimethylsilyluridine","Acta Crystallographica Section C","1996","52","6","1552","1554","10.1107/S0108270195014831","","","0.71073","Mo_Kα","","0.15","0.051","","","0.053","","","","","1.054","1.054","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005059","14.51","0.001","17.248","0.001","11.908","0.002","90","","90","","90","","2980.2","0.6","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","1","SZ1030","Soriano-Garcia, M.; Jimenez, M. A.; Mata, R.; Segura de Correa, R.","Humilinolide D","Acta Crystallographica Section C","1996","52","6","1527","1529","10.1107/S0108270195010109","","","1.54184","CuKα","","","0.0562","","","0.0651","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005060","17.116","0.004","9.96","0.003","21.416","0.005","90","","108.59","0.02","90","","3460.4","1.6","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B3 O Os P2 -","- C37 H39 B3 O Os P2 -","- C148 H156 B12 O4 Os4 P8 -","4","1","SZ1031","Bould, J.; Rath, N. P.; Barton, L.","[(CO)H(PPh~3~)~2~-<i>arachno</i>-OsB~3~H~8~]","Acta Crystallographica Section C","1996","52","6","1388","1390","10.1107/S0108270195017239","","","0.71073","MoKα","","","0.0471","","","0.1129","","","","","0.935","0.935","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005061","5.536","0.002","7.901","0.002","16.54","0.003","83.98","0.01","82.55","0.02","76.76","0.02","696.2","0.3","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O3 -","- C14 H24 O3 -","- C28 H48 O6 -","2","1","SZ1045","Thompson, H. W.; Coté, M. L.; Lalancette, R. A.","(±)-2-Oxocyclododecaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Large-Ring γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1520","1523","10.1107/S0108270195010249","","","0.71073","MoKα","","","0.0504","","","0.0582","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005062","9.293","0.002","12.992","0.003","12.71","0.002","90","","97.67","0.02","90","","1520.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br5 O2 -","- C12 H11 Br5 O2 -","- C48 H44 Br20 O8 -","4","1","TA1040","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","(2α,5α)-1,5,6,9,9-Pentabromo-7-methoxy-2,3,3a,4,5,6-hexahydro-3a,6-methanoazulen-2-ol","Acta Crystallographica Section C","1996","52","6","1589","1591","10.1107/S0108270195017112","","","1.5418","CuKα","","0.0422","0.04","","0.0486","0.0485","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005063","11.379","0.003","12.708","0.002","16.241","0.003","90","","100.11","0.02","90","","2312.1","0.8","141","2","141","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Chloro-bis-{([9R^*^,12R^*^]-6,8,8,13,13,15-hexamethyl-1,5,9,12- tetraazacyclopentadeca-5,15(1)-diene-N^1^,N^5^,N^9^,N^12^)- perchlorato)copper(II)} perchlorate","","- C17 H34 Cl2 Cu N4 O6 -","- C17 H31 Cl2 Cu N4 O6 -","- C68 H124 Cl8 Cu4 N16 O24 -","4","1","TA1060","Gladkikh, O. P.; Curtis, N. F.","A Chloro-Bridged Dinuclear Copper(II) Cationic Complex of a 15-Membered Tetraaza Macrocyclic Ligand","Acta Crystallographica Section C","1996","52","6","1418","1421","10.1107/S0108270196002004","","","0.71073","MoKα","","0.0953","0.056","","0.1567","0.1387","","","","1.009","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005064","22.201","0.005","13.667","0.003","22.087","0.004","90","","90.43","0.02","90","","6701","2","296","","296","","","","","","","","","7","C 1 2 1","C 2y","5","","bis[tris(2,2'-bipyridine)ruthenium(II)] hexacyanocobaltate(III) chloride octahydrate","","- C66 H64 Cl Co N18 O8 Ru2 -","- C66 H64 Cl Co N18 O8 Ru2 -","- C264 H256 Cl4 Co4 N72 O32 Ru8 -","4","1","TA1068","Tamura, H.; Ikeda, N.; Iguro, T.; Ohno, T.; Matsubayashi, G.-E.","The Pseudo-Racemic Complex Bis[tris(2,2'-bipyridine)ruthenium(II)] Hexacyanocobaltate(III) Chloride Octahydrate, [Ru(bpy)~3~]~2~[Co(CN)~6~]Cl.8H~2~O","Acta Crystallographica Section C","1996","52","6","1394","1399","10.1107/S0108270196000042","","","0.7107","MoKα","","","0.035","","","0.06","","","","","1.56","1.56","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2005065","7.2309","0.0009","29.517","0.004","20.717","0.003","90","","101.98","0.01","90","","4325.4","1","130","2","130","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(4) bis-(p-nitrobenzoate) ester of cis-1,1-dimethylsilacyclohex-3,4-diylbis- p-Nitrobenzoate","","- C21 H22 N2 O8 Si -","- C21 H22 N2 O8 Si -","- C168 H176 N16 O64 Si8 -","8","4","TA1071","White, J. M.; Tham, W.-Y.; Green, A. J.","Bis(<i>p</i>-nitrobenzoate) Ester of <i>cis</i>-1,1-Dimethylsilacyclohexane-3,4-diol","Acta Crystallographica Section C","1996","52","6","1493","1496","10.1107/S0108270195016441","","","1.5418","CuKαradiation(Nifiltered)","","0.0395","0.0358","","0.0956","0.0913","","","","1.007","0.992","0.992","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005066","13.165","0.003","9.53","0.005","28.924","0.002","90","","98.27","0.01","90","","3591","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O3 Sn -","- C17 H20 N2 O3 Sn -","- C136 H160 N16 O24 Sn8 -","8","1","TA1087","Basu Baul, T. S.; Tiekink, E. R. T.","Polymeric [<i>p</i>-(2-Hydroxy-5-methylphenylazo)benzoato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1428","1430","10.1107/S0108270196001990","","","0.7107","MoKα","","0.0639","0.0639","","0.0848","0.0848","","","","1.572","1.572","1.572","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005067","12.299","0.002","8.046","0.002","11.563","0.002","90","","90.83","0.03","90","","1144.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(p-pethoxy-phenyl)-2-methyl-4-nitro-imidazole","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.0705","0.0409","","0.1628","0.127","","","","1.12","1.251","1.251","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005068","7.493","0.001","8.217","0.002","10.332","0.002","90.46","0.02","105.24","0.02","110.59","0.02","571","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(p-acetyl-phenyl)-2-methyl-4-nitro-imidazole","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.1025","0.0424","","0.2912","0.1147","","","","0.855","0.738","0.738","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005069","11.018","0.007","14.184","0.007","24.78","0.01","90","","94.5","0.05","90","","3861","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Fe K N2 O10.5 -","- C15 H19 Fe K N2 O10.5 -","- C120 H152 Fe8 K8 N16 O84 -","8","1","AB1280","Hernández-Padilla, M.; Sanchiz, J.; Domínguez, S.; Mederos, A.; Arrieta, J. M.; Zuñiga, F. J.","Potassium Aqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)ferrate(III)‒Water (1/1.5)","Acta Crystallographica Section C","1996","52","7","1618","1621","10.1107/S0108270196002697","","","0.71069","MoKα","","","","","","0.1432","","","","","1.115","1.115","","","","","has coordinates","190595","2020-10-21","18:00:00",""
"2005070","15.89","0.005","13.093","0.004","7.828","0.003","75.48","0.01","78.25","0.01","73.46","0.01","1495.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","2","AB1282","Barakat, S. E.-S.; Lindner, H. J.","2-Bromomethyl-3-(2-ethylphenyl)-4(3<i>H</i>)-quinazolinone","Acta Crystallographica Section C","1996","52","7","1703","1705","10.1107/S0108270196001291","","","0.71069","MoKα","","0.0497","0.0348","","0.1185","0.1061","","","","0.957","0.974","0.974","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005071","7.813","0.002","8.058","0.002","10.212","0.002","92.44","0.03","105.51","0.03","106.03","0.03","590.7","0.3","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(5R)-5-[(1''S)-Hydroxybenzyl]-5-(l-menthyloxy)-4-(pyrrolidin-yl)furan-2(5H)- one","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C25 H35 N O4 -","1","1","AB1288","Alonso, I.; López-Solera, I.; Raithby, P. R.","(5<i>R</i>)-5-[(<i>S</i>)-α-Hydroxybenzyl]-5-(<small>L</small>-menthyloxy)-4-(1-pyrrolidinyl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1743","1745","10.1107/S0108270196001023","","","0.71073","MoKα","","0.1563","0.0742","","0.1683","0.1324","","","","1.02","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005072","21.771","0.004","10.608","0.002","16.885","0.003","90","","90","","90","","3899.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","trans-chloromethylbis(tri-p-tolylarsine)platinum(II)","","- C43 H45 As2 Cl Pt -","- C43 H45 As2 Cl Pt -","- C172 H180 As8 Cl4 Pt4 -","4","1","AB1292","Otto, S.; Roodt, A.","<i>trans</i>-Chloromethylbis(tri-<i>p</i>-tolylarsine)platinum(II)","Acta Crystallographica Section C","1996","52","7","1636","1638","10.1107/S0108270196000510","","","0.71073","MoKα","","0.0226","0.0226","","0.0545","0.0545","","","","1.077","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005073","8.71","0.003","12.988","0.002","14.069","0.003","90","","102.44","0.04","90","","1554.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(1'-closo-2'-phenyl-1',2'-dicarbadodecaboryl)-2,3,5,6- tetrafluorobenzene","","- C22 H30 B20 F4 -","- C22 H30 B20 F4 -","- C44 H60 B40 F8 -","2","0.5","AB1305","Thomas, R. Ll.; Welch, A. J.","Haloaryl Carboranes. I. 1,4-Bis[2-phenyl-1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]-2,3,5,6-tetrafluorobenzene","Acta Crystallographica Section C","1996","52","7","1689","1691","10.1107/S0108270196000029","","","0.71069","MoKα","","0.0645","0.0463","","0.1361","0.1312","","","","1.11","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005074","4.747","0.007","14.399","0.002","15.191","0.002","90","0.011","90","0.011","90","0.011","1038.3","1.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-glycyl-L-alanine","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","AB1324","Padiyar, G. S.; Seshadri, T. P.","The Linear Tripeptide <small>L</small>-Alanylglycyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1693","1695","10.1107/S0108270196001138","","","1.5418","CuKα","","0.0305","0.0279","","0.08","0.078","","","","1.045","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005075","6.891","0.002","11.412","0.006","11.78","0.004","101.25","0.04","96.96","0.01","102.06","0.04","875.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Gallium Hexamolybdocobaltate (III)-water (1:16)","","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","1","0.5","AB1334","Panneerselvam, K.; Soriano-García, M.; Holguin-Quiñones, S.; Holt, E. M.","Hexaaquagallium Hexahydrogenhexamolybdocobaltate(III) Decahydrate","Acta Crystallographica Section C","1996","52","7","1605","1607","10.1107/S0108270195017161","","","0.71073","MoKα","","0.0395","0.0371","","0.0995","0.0981","","","","1.086","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005076","8.569","0.003","17.316","0.006","9.968","0.004","90","","109.02","0.02","90","","1398.3","0.9","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-benzo-1,4-diaza-7,10,13-trioxapentadec-2-ene","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","AB1361","Clegg, W.; Cooper, P. J.; Lockhart, J. C.","A Diaza Analogue of Benzo-15-crown-5","Acta Crystallographica Section C","1996","52","7","1795","1797","10.1107/S0108270196003113","","","1.54184","CuKα","","0.051","0.0508","","0.1492","0.149","","","","1.128","1.135","1.135","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005077","5.396","0.002","7.935","0.003","18.311","0.004","90","0.06","93.71","0.03","90","","782.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bandrowski's base","N,N'-(2,5-diamino-2,5-cyclohexadiene-1,4-diylidene)bis-1,4-benzenediamine","","- C18 H18 N6 -","- C18 H18 N6 -","- C36 H36 N12 -","2","0.5","AB1362","Blake, A. J.; Hubberstey, P.; Quinlan, D. J.","Bandrowski's Base","Acta Crystallographica Section C","1996","52","7","1774","1776","10.1107/S0108270196003125","","","0.71073","MoKα","","0.2227","0.0771","","0.2134","0.1403","","","","0.924","1.278","1.278","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005078","8.679","0.002","7.964","0.001","4.86","0.002","90","","101.1","0.02","90","","329.64","0.16","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N S -","- C6 H9 N S -","- C12 H18 N2 S2 -","2","0.5","BK1147","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M.","4-Methylpyridinium Hydrogen Sulfide","Acta Crystallographica Section C","1996","52","7","1701","1702","10.1107/S0108270196000078","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.617","1.617","","","","","has coordinates","189206","2020-10-21","18:00:00",""
"2005079","8.144","0.001","21.772","0.001","6.966","0.001","90","","90","","90","","1235.1","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B N4 O4 -","- C10 H15 B N4 O4 -","- C40 H60 B4 N16 O16 -","4","1","BK1158","Gao, Q.; Sood, A.; Ramsay Shaw, B.; Williams, L. D.","2'-Deoxycytidine-<i>N</i>3-cyanoborane","Acta Crystallographica Section C","1996","52","7","1823","1825","10.1107/S0108270195013783","","","1.5418","CuKα","","","0.029","","","0.042","","","","","1.505","1.505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005080","10.9215","0.001","9.54","0.002","11.9604","0.001","90","","107.2","0.01","90","","1190.4","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","BK1163","Moreno-Fuquen, R.; do Gambardella, M. T.; de Santos, R. H.","1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 4-Nitrophenol","Acta Crystallographica Section C","1996","52","7","1745","1747","10.1107/S0108270196000066","","","0.71073","MoKα","","0.0978","0.055","","0.1144","0.107","","","","3.302","3.934","3.934","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005081","7.249","0.002","9.893","0.002","11.247","0.003","90","","102.86","0.02","90","","786.3","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.028","","","0.075","","","","","3.08","3.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005082","6.709","0.001","9.854","0.001","11.766","0.002","90","","90","","90","","777.86","0.19","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.026","","","0.065","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005083","6.141","0.001","19.57","0.002","11.366","0.001","90","","91.64","0.01","90","","1365.4","0.3","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Mn N4 O4 -","- C12 H10 Mn N4 O4 -","- C48 H40 Mn4 N16 O16 -","4","1","BK1196","Tamaki, K.; Okabe, N.","Manganese Cupferronate","Acta Crystallographica Section C","1996","52","7","1612","1614","10.1107/S0108270196002661","","","0.71069","MoKα","","","0.04","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005084","17.816","0.002","9.05","0.001","15.468","0.003","90","","98.7","0.01","90","","2465.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-4,5-bis(fluorodinitromethyl)-cis-2-methoxy-1,3-dioxolane","","- C6 H6 F2 N4 O11 -","- C6 H6 F2 N4 O11 -","- C48 H48 F16 N32 O88 -","8","1","BK1205","Corbett, J. M.; Dickman, M. H.","4,5-Bis(fluorodinitromethyl)-2-methoxy-1,3-dioxolane","Acta Crystallographica Section C","1996","52","7","1851","1853","10.1107/S010827019600265X","","","0.71073","MoKα","","0.0625","0.0408","","0.1063","0.0946","","","","1.038","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005085","10.646","0.003","16.547","0.002","6.899","0.003","90","","90","","90","","1215.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anthracene-1,8-dicarboxylic acid","anthracene-1,8-dicarboxylic acid","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","BK1211","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-1,8-dicarboxylic Acid","Acta Crystallographica Section C","1996","52","7","1838","1841","10.1107/S0108270196002703","","","0.71073","MoKα","","","0.051","","","0.05","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005086","8.21","0.002","12.076","0.005","11.949","0.003","90","","99.71","0.02","90","","1167.7","0.6","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 Ti -","- C12 H12 O4 Ti -","- C48 H48 O16 Ti4 -","4","1","BK1212","Gibson, D. H.; Ding, Y.; Richardson, J. F.; Mashuta, M. S.","Bis(η^5^-cyclopentadienyl)bis(formato-<i>O</i>)titanium","Acta Crystallographica Section C","1996","52","7","1614","1616","10.1107/S0108270196002715","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005087","8.216","0.002","16.164","0.002","12.762","0.002","90","","107.12","0.02","90","","1619.7","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lithium isodicyclopentadienide tetramethylethylenediamine","(N,N,N',N'‒tetramethylethylenediamine)lithium(1+) (1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenide","","- C16 H27 Li N2 -","- C16 H27 Li N2 -","- C64 H108 Li4 N8 -","4","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","0.2548","0.059","","0.189","0.125","","","","1","1.253","1.253","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005088","11.818","0.001","16.129","0.002","9.871","0.001","107.05","0.01","108.23","0.01","88.7","0.01","1703.6","0.3","203","","203","","","","","","","","","4","P -1","-P 1","2","","bis(1,4,7,10‒tetraoxacyclododecane)lithium(1+) bis[(1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenido] lithate(1-)","","- C36 H54 Li2 O8 -","- C36 H54 Li2 O8 -","- C72 H108 Li4 O16 -","2","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","","0.054","","0.056","0.0555","","","","1.706","1.706","1.706","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005089","11.868","0.007","12.2","0.01","20.746","0.011","96.83","0.05","100.85","0.05","101.16","0.04","2856","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","","- C24 H29 Cl5 N3 Nb -","- C24 H29 Cl5 N3 Nb -","- C96 H116 Cl20 N12 Nb4 -","4","2","BK1221","Polamo, M.; Leskelä, M.","Phenylimidopentachloroniobate(V) Dianion with <i>N</i>-Allylphenylammonium Counterion","Acta Crystallographica Section C","1996","52","7","1631","1634","10.1107/S0108270196003319","","","0.71069","MoKα","","0.0843","0.065","","0.15","0.1403","","","","1.042","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005090","12.062","0.005","11.652","0.004","10.304","0.004","90","","94.13","0.03","90","","1444.4","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 S -","- C17 H12 O4 S -","- C68 H48 O16 S4 -","4","1","BK1226","Chen, Y.-S.; Khan, M.; Rao, S. N.; Krishnaiah, M.; Raju, K. V. N.","3-[(2-Phenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1996","52","7","1847","1849","10.1107/S0108270196003526","","","0.71073","MoKα","","","0.039","","","0.042","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005091","9.68","0.003","13.093","0.003","16.607","0.005","90","0.02","91.82","0.03","90","0.02","2103.7","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C21 H26 Cl2 N2 O3 -","- C21 H26 Cl2 N2 O3 -","- C84 H104 Cl8 N8 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1544","0.0399","","0.1345","0.0961","","","","1.003","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005092","9.525","0.002","12.962","0.004","16.579","0.007","90","","91.81","0.03","90","","2045.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)morpholinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O4 -","- C20 H24 Cl2 N2 O4 -","- C80 H96 Cl8 N8 O16 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.0811","0.0428","","0.1208","0.1006","","","","1.035","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005093","9.681","0.005","13.083","0.004","16.582","0.005","90","0.03","91.66","0.04","90","0.03","2099.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperazinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H25 Cl2 N3 O3 -","- C20 H25 Cl2 N3 O3 -","- C80 H100 Cl8 N12 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1858","0.0422","","0.159","0.1102","","","","1.011","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005094","9.391","0.002","11.14","0.002","20.373","0.004","90","","90","","90","","2131.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2,3,4-tetrahydro-1,4-disulfinylphenanthrene","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","BM1051","Martinez-Alcazar, M. P.; Fonseca, I.; Cano, F. H.","2,3-Dihydro-1,4-dithiaphenanthrene 1,4-Dioxide","Acta Crystallographica Section C","1996","52","7","1787","1789","10.1107/S0108270196001771","","","1.5418","CuKα","","0.0818","0.0435","","0.1058","0.0917","","","","0.883","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005095","8.611","0.001","9.848","0.001","9.948","0.001","68.96","0.015","68.3","0.015","89.18","0.015","724.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3'-Methyl-2'-pyridyl)-3-(-m-bromophenyl)pyrrolidin-2,5-dione","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C32 H26 Br2 N4 O4 -","2","1","BM1056","Karolak-Wojciechowska, J.; Kwiatkowski, W.; Obniska, J.; Zejc, A.","3-(<i>m</i>-Bromophenyl)-1-(3-methyl-2-pyridyl)pyrrolidin-2,5-dione","Acta Crystallographica Section C","1996","52","7","1808","1810","10.1107/S0108270196002028","","","1.54178","CuKα","","0.0757","0.0567","","0.1594","0.1399","","","","1.147","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005096","9.653","0.003","7.472","0.003","14.627","0.002","90","","107.08","0.02","90","","1008.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cl6 O4 Sn2 -","- C8 H22 Cl6 O4 Sn2 -","- C16 H44 Cl12 O8 Sn4 -","2","0.5","BM1062","Genge, A. R. J.; Levason, W.; Reid, G.","Redetermination of [(μ-OEt)~2~{SnCl~3~(EtOH)}~2~]","Acta Crystallographica Section C","1996","52","7","1666","1668","10.1107/S0108270196002909","","","0.71073","MoKα","","0.0394","0.0247","","0.0315","0.0291","","","","1.28","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005097","4.785","0.002","7.097","0.002","7.851","0.003","89.71","0.02","87.53","0.03","73.54","0.02","255.44","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","Lead^II^ Iron^III^ Diphosphate","","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","1","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005098","10.586","0.002","10.463","0.002","9.685","0.002","90","","103.16","0.03","90","","1044.6","0.4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium Iron^III^ Diphosphate","","- Ba Fe2 O14 P4 -","- Ba Fe2 O14 P4 -","- Ba4 Fe8 O56 P16 -","4","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005099","13.628","0.003","13.628","0.003","9.096","0.002","90","","90","","120","","1463","0.6","293","","293","","","","","","","","","4","R 3 :H","R 3","146","Lithium Zinc Phosphate","","","- Li O4 P Zn -","- Li O4 P Zn -","- Li18 O72 P18 Zn18 -","18","2","BR1128","Bu, X.; Gier, T. E.; Stucky, G. D.","A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~","Acta Crystallographica Section C","1996","52","7","1601","1603","10.1107/S0108270195015940","","","0.71073","MolybdenumKα","","0.024","0.024","","0.034","0.034","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005100","3.911","0.002","3.911","0.002","11.734","0.001","90","","90","","90","","179.48","0.13","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Lanthanum barium copper oxide","","","- Ba1.5 Cu3 La1.5 O6.66 -","- Ba1.5 Cu3 La1.5 O6.64 -","- Ba1.5 Cu3 La1.5 O6.64 -","1","0.0625","BR1132","Hjorth, M.","Refinement of La~1.5~Ba~1.5~Cu~3~O~7{-~<i>x</i>} from a Twinned Crystal","Acta Crystallographica Section C","1996","52","7","1599","1601","10.1107/S0108270196001692","","","0.71073","MoKα","","0.0857","0.0327","","0.1135","0.0748","","","","1.067","1.141","1.141","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005101","10.5672","0.002","15.9577","0.0012","14.5196","0.0012","90","","90","","90","","2448.4","0.5","294","","294","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Di(μ-hydrido)hexadecacarbonylpentaosmium","","- C16 H2 O16 Os5 -","- C18 O16 Os5 -","- C72 O64 Os20 -","4","0.5","BR1134","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","[Os~5~(μ-H)~2~(CO)~16~]: a Second Crystal Form","Acta Crystallographica Section C","1996","52","7","1607","1609","10.1107/S0108270196000339","","","0.7107","MolybdenumKα","","0.051","0.051","","0.058","0.058","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005102","6.589","0.001","5.163","0.001","15.633","0.003","90","","91.99","0.03","90","","531.5","0.17","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Copper(II) Iron(III) Diphosphate","","- Cu Fe2 O14 P4 -","- Cu Fe2 O14 P4 -","- Cu2 Fe4 O28 P8 -","2","0.5","BR1137","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Copper(II) Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1597","1599","10.1107/S0108270196000856","","","0.71073","MoKα","","","0.042","","","0.0541","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005103","7.241","0.002","6.214","0.001","8.643","0.001","90","","101.19","0.01","90","","381.5","0.13","295","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H7 As N O3 -","- C12 H14 As2 N2 O6 -","2","1","CF1008","Nuttall, R. H.; Hunter, W. N.","<i>p</i>-Arsanilic Acid, a Redetermination","Acta Crystallographica Section C","1996","52","7","1681","1683","10.1107/S010827019501657X","","","1.54178","CuKα","","","0.044","","","0.055","","","","","1.04","1.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005104","18.678","0.009","7.627","0.003","19.099","0.01","90","","116.6","0.04","90","","2433","2","198","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I N Sn -","- C24 H30 I N Sn -","- C96 H120 I4 N4 Sn4 -","4","1","CF1055","Howie, R. A.; Wardell, J. L.","Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide","Acta Crystallographica Section C","1996","52","7","1668","1670","10.1107/S0108270196000881","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005105","5.739","0.003","14.237","0.002","18.644","0.002","90","","93.65","0.01","90","","1520.2","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-dichlor-4-(p-metoxyphenyl)-1-phenyl-2-azetidinone","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C64 H52 Cl8 N4 O8 -","4","1","CF1057","Ercan, F.; Ülkü, D.; Güner, V.","3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","7","1779","1780","10.1107/S0108270196002119","","","0.71073","MoKα","","","0.042","","","0.04","","","","","0.64","0.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005106","7.4402","0.0008","14.8767","0.0013","11.5652","0.0012","90","","105.539","0.009","90","","1233.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,9,10,11-Tetrahydrobenz[c]acridine.","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","CF1059","Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine","Acta Crystallographica Section C","1996","52","7","1813","1815","10.1107/S0108270196002132","","","0.71073","MoKα","","0.0585","0.0429","","0.1356","0.1279","","","","1.064","1.187","1.187","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005107","8.193","0.005","10.546","0.006","11.092","0.006","90","","103.21","0.04","90","","933","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,","","- C19 H23 Cl O7 -","- C19 H23 Cl O7 -","- C38 H46 Cl2 O14 -","2","1","CF1061","Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W.","Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from <i>Centaurea scoparia</i>","Acta Crystallographica Section C","1996","52","7","1791","1793","10.1107/S0108270196000741","","","0.71073","MoKα","","0.0381","0.0354","","0.0367","0.0366","","","","2.27","2.34","2.34","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005108","7.2382","0.0005","15.9407","0.0014","13.152","0.0011","90","","93.473","0.007","90","","1514.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluren-9-one Isonicotinoylhydrozone Monohydrate.","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","CF1063","Lu, Z.-L.; Shan, B.-Z.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","4,5-Diaza-9-fluorenone Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","7","1720","1722","10.1107/S0108270196002144","","","0.71073","MoKα","","0.0615","0.0404","","0.1149","0.1063","","","","0.966","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005109","16.949","0.002","17.907","0.002","19.662","0.003","90","","90","","90","","5967.5","1.3","294","1","294","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(α-Ferrocenylphenacyl)triphenylphosphonium iodide","","- C36 H30 Fe I O P -","- C36 H30 Fe I O P -","- C288 H240 Fe8 I8 O8 P8 -","8","1","CF1086","Ahmed, S. Z.; Glidewell, C.; Ferguson, G.","Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide","Acta Crystallographica Section C","1996","52","7","1634","1636","10.1107/S0108270196003538","","","0.7107","MolybdenumKα","","0.1953","0.0552","","0.1132","0.0911","","","","0.802","1.151","1.151","","","","","has coordinates","192293","2020-10-21","18:00:00",""
"2005110","6.209","0.002","5.023","0.001","10.457","0.003","90","","95.35","0.03","90","","324.71","0.16","160.95","","160.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H6 N O4 -","- C14 H12 N2 O8 -","2","1","CR1179","King, Jnr, J. A.; Bryant, Jnr, G. L.","<i>p</i>-Nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","7","1691","1693","10.1107/S0108270196001254","","","0.71073","MoKα","","0.0619","0.0589","","0.0755","0.0755","","","","","4.39","4.39","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005111","11.059","0.004","14.188","0.005","11.996","0.005","90","","102.39","0.03","90","","1838.4","1.2","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","0.7107","MoKα","","","0.047","","","0.052","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005112","6.63","0.003","21.78","0.006","14.759","0.005","90","","98.35","0.03","90","","2108.6","1.3","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","1.5418","CuKα","","","0.063","","","0.064","","","","","1.274","1.274","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005113","20.337","0.003","5.8139","0.0006","13.362","0.002","90","","105.97","0.02","90","","1518.9","0.4","295","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","DE1026","Suresh, C. G.; Sakthivel, K.; Pathak, T.","5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine","Acta Crystallographica Section C","1996","52","7","1776","1779","10.1107/S0108270195017082","","","0.71069","MoKα","","0.0823","0.0365","","0.1057","0.0794","","","","0.714","0.776","0.776","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005114","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.83","0.07","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","","LiMoP~2~O~7~","Acta Crystallographica C","1996","52","","1593","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005115","9.666","0.001","8.062","0.001","12.996","0.001","90","","97.262","0.009","90","","1004.62","0.18","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H Ni O14 P5 -","- H Ni O14 P5 -","- H4 Ni4 O56 P20 -","4","1","DU1148","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","NiHP~5~O~14~ Ultraphosphate","Acta Crystallographica Section C","1996","52","7","1603","1605","10.1107/S0108270196000595","","","0.71093","MoKα","","0.0737","0.0302","","0.0729","0.0636","","","","1.023","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005116","8.042","0.0008","8.4045","0.0008","15.174","0.001","105.021","0.008","95.128","0.009","95.326","0.008","979.39","0.16","298","","298","","","","","","","","","8","P -1","-P 1","2","","trans-dichloloro-triethylphosphine-2-n-propylsulfinylpyridine-palladium(II)","","- C14 H26 Cl2 N O P Pd S -","- C14 H26 Cl2 N O P Pd S -","- C28 H52 Cl4 N2 O2 P2 Pd2 S2 -","2","1","FG1058","Rodrigues, A. M. G. D.; do Gambardella, M. T.; Francisco, R. H. P.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>trans</i>-Dichloro(2-<i>n</i>-propylsulfinylpyridine-<i>N</i>)(triethylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1996","52","7","1641","1642","10.1107/S0108270196002478","","","0.71073","MoKα","","0.0612","0.0427","","0.0576","0.0476","","","","1.26","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005117","7.851","0.001","10.239","0.002","10.869","0.002","63.03","0.01","80.85","0.01","85.97","0.01","768.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","(4aα, 8α, 8aα)-(+,-)-Octahydro-8-(4-bromobenzoate)-1 (2H)-naphthalenone","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C34 H38 Br2 O6 -","2","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0881","0.069","","0.0523","0.0476","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005118","12.01","","7.553","","12.134","","90","","110.34","","90","","1032.06","","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo-5-hydroxy-1-methylbicyclo[4.3.1.]decan-7-one","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0771","0.0463","","0.0564","0.0526","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005119","16.445","0.002","6.3075","0.0006","21.092","0.003","90","","112.02","0.01","90","","2028.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl-cis-dicloro-μ-bis{meso-1,2-di(phenylsulphinyl)ethane}-tin(IV)","","- C16 H20 Cl2 O2 S2 Sn -","- C16 H20 Cl2 O2 S2 Sn -","- C64 H80 Cl8 O8 S8 Sn4 -","4","1","FG1084","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1629","1631","10.1107/S0108270196002466","","","0.71073","MoKα","","0.0577","0.0334","","0.1008","0.0836","","","","1.09","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005120","11.356","0.001","11.862","0.001","12.989","0.001","106.88","0.01","102.95","0.01","94.38","0.01","1612.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu N4 O9 -","- C26 H36 Cu N4 O13 -","- C52 H72 Cu2 N8 O26 -","2","1","FG1104","Neves, A.; Vencato, I.; Verani, C. N.","Bis[2-(2-pyridylmethylaminomethyl)phenol]copper(II) Diacetate Trihydrate [Cu(HBPA)~2~](CH~3~COO)~2~.3H~2~O","Acta Crystallographica Section C","1996","52","7","1648","1651","10.1107/S0108270196000108","","","0.71073","Mo","","0.08","0.0609","","","0.0823","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005121","15.754","0.004","11.468","0.004","15.084","0.003","90","","108.97","0.02","90","","2577.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(tpy)(MeIm)](ClO4)2.CH3CN","2,2':6',2''-Terpyridine(1-methylimidazole)platinum(II) Perchlorate Acetonitrile Solvate","","- C21 H20 Cl2 N6 O8 Pt -","- C21 H20 Cl2 N6 O8 Pt -","- C84 H80 Cl8 N24 O32 Pt4 -","4","1","FG1115","Roszak, A. W.; Clement, O.; Buncel, E.","2,2':6',2''-Terpyridine(1-methylimidazole-<i>N</i>^3^)platinum(II) Perchlorate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","7","1645","1648","10.1107/S0108270196001370","","","0.71069","MoKα","","0.0937","0.0382","","0.1239","0.0939","","","","1.006","1.091","1.091","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005122","12.365","0.003","13.192","0.003","13.373","0.002","90","","113.38","0.02","90","","2002.3","0.8","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl3 N3 Zn -","- C19 H20 Cl3 N3 Zn -","- C76 H80 Cl12 N12 Zn4 -","4","1","FG1168","Parvez, M.; Sabir, A. P.","Clemizoledichlorozinc(II)","Acta Crystallographica Section C","1996","52","7","1651","1653","10.1107/S0108270196003605","","","0.71069","MoKα","","","0.033","","","0.031","","","","","1.273","1.273","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005123","9.802","0.007","21.172","0.005","5.504","0.005","90","","90","","90","","1142.2","1.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C40 H64 N8 O20 -","4","1","FG1174","Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.","(1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","7","1781","1784","10.1107/S0108270196004416","","","0.71069","MoKα","","","0.058","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005124","15.312","0.005","10.3","0.003","17.554","0.005","90","","93.68","0.03","90","","2762.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Bromodifluoromethyl)diphenylphosphine sulfide","","- C13 H10 Br F2 P S -","- C13 H10 Br F2 P S -","- C104 H80 Br8 F16 P8 S8 -","8","1","FG1182","Jones, P. G.","(Bromodifluoromethyl)diphenylphosphine Sulfide","Acta Crystallographica Section C","1996","52","7","1793","1795","10.1107/S0108270196004489","","","0.71073","MoKα","","0.0432","0.0313","","0.0856","0.0749","","","","1.065","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005125","4.098","0.003","25.665","0.002","12.989","0.003","90","","97.22","0.05","90","","1355.3","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","HA1152","Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B.","1-Benzoyl-3-(4-nitrophenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1716","1718","10.1107/S0108270196001047","","","0.7107","MoKα","","","0.034","","","0.044","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005126","11.614","0.014","5.288","0.005","10.602","0.015","90","","110.02","0.03","90","","611.8","1.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-bis(1,3-dioxolan-2-one)-2,5-dithiahexane","","- C10 H14 O6 S2 -","- C10 H14 O6 S2 -","- C20 H28 O12 S4 -","2","0.5","HA1158","Blake, A. J.; Parsons, S.; Richtzenhain, H.; Schröder, M.","2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-dioxolan-2-one)","Acta Crystallographica Section C","1996","52","7","1699","1701","10.1107/S0108270196001515","","","0.71073","MoKα","","0.0903","0.0732","","0.1948","0.1749","","","","1.162","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005127","10.492","0.002","11.436","0.002","9.334","0.001","92.04","0.01","97.31","0.02","110.68","0.02","1035.4","0.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N3 S -","- C23 H25 N3 S -","- C46 H50 N6 S2 -","2","1","JZ1081","Ergin, Ö.; Sillanpää, R.; Yeşilada, A.","5-Benzylidene-8-ethylthiocarbamoyl-9-phenyl-7,8-diazabicyclo[4.3.0]non-6-ene","Acta Crystallographica Section C","1996","52","7","1770","1772","10.1107/S0108270195015794","","","0.71069","MoKα","","","0.037","","","0.044","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005128","6.689","0.006","8.79","0.009","9.447","0.008","95.23","0.09","104.88","0.07","92.21","0.06","533.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","TAPSO","3-(N-tris(hydroxymethyl) methylamino)-2-hydroxy-propanesulfonic acid","","- C7 H17 N O7 S -","- C7 H17 N O7 S -","- C14 H34 N2 O14 S2 -","2","1","JZ1092","Wouters, J.; Stalke, D.","TAPSO at Low Temperature","Acta Crystallographica Section C","1996","52","7","1684","1686","10.1107/S0108270196001199","","","0.71073","MoKα","","0.0461","0.0379","","0.1401","0.1001","","","","1.074","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005129","11.804","0.003","11.392","0.003","16.256","0.004","90","","90","","90","","2186","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","JZ1093","Wouters, J.; Häming, L.; Sheldrick, G.","HEPES","Acta Crystallographica Section C","1996","52","7","1687","1688","10.1107/S0108270196001187","","","1.54178","CuKα","","0.0501","0.0487","","0.1362","0.1334","","","","1.103","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005130","5.579","0.002","8.014","0.002","12.014","0.002","95.72","0.01","95.72","0.01","92.54","0.02","531","0.2","102","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H21 P -","- C9 H21 P -","- C18 H42 P2 -","2","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005131","8.622","0.003","14.368","0.002","8.928","0.002","90","","106.19","0.02","90","","1062.1","0.5","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 P -","- C9 H21 P -","- C36 H84 P4 -","4","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.078","","","0.101","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005132","10.741","0.002","20.532","0.004","8.776","0.002","90","","90","","90","","1935.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3-diaminopropane(diiodo)platinum(IV) Diiodide Dihydrate","","- C6 H24 I4 N4 O2 Pt -","- C6 H24 I4 N4 O2 Pt -","- C24 H96 I16 N16 O8 Pt4 -","4","0.25","JZ1105","Pajunen, A.; Oksanen, A.; Leskelä, M.","Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate","Acta Crystallographica Section C","1996","52","7","1643","1645","10.1107/S0108270196002235","","","0.71073","MoKα","","0.055","0.0328","","0.0788","0.0741","","","","0.923","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005133","10.004","0.003","10.168","0.002","12.166","0.004","75.02","0.03","88.21","0.03","61.36","0.03","1042.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquotriglycinecerium(III) hexacyanoferrate(III) monohydrate.","","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","1","0.5","JZ1110","García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J.","Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate","Acta Crystallographica Section C","1996","52","7","1679","1681","10.1107/S0108270196003149","","","0.71073","MoKα","","0.0234","0.0188","","0.0486","0.0471","","","","1.083","1.097","1.097","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005134","8.699","0.001","26.465","0.001","7.769","0.001","90","","95.23","0.01","90","","1781.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(tert-butyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxetane","3-(1,1-dimethylethyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxacyclobutane","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","1.54178","CuKα","","0.061","0.055","","0.181","0.163","","","","1.075","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005135","14.701","0.002","10.153","0.001","15.42","0.002","90","","96.26","0.01","90","","2287.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-Benzyloxyphenyl)-3-(tert-butyl)-3-[(trimethylsilyl)oxy]oxetane","2-(2-benzyloxyphenyl)-3-(1,1-dimethylethyl)-3-[(trimethylsilyl)oxy]- oxacyclobutane","","- C23 H32 O3 Si -","- C23 H32 O3 Si -","- C92 H128 O12 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","0.71073","MoKα","","0.072","0.046","","0.147","0.123","","","","1.052","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005136","7.237","0.002","10.434","0.001","17.45","0.002","90","","99.42","0.01","90","","1299.9","0.4","123","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Br N2 S Se -","- C11 H13 Br N2 S Se -","- C44 H52 Br4 N8 S4 Se4 -","4","1","KA1156","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System","Acta Crystallographica Section C","1996","52","7","1718","1719","10.1107/S0108270195017252","","","0.71069","MoKα","","","0.0355","","","0.0969","","","","","0.983","0.983","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005137","3.916","0.0008","15.019","0.003","26.479","0.005","90","","94.83","0.02","90","","1551.8","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Solvent Violet 13, Disperse Blue 72","1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","KA1165","Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.","Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone","Acta Crystallographica Section C","1996","52","7","1853","1856","10.1107/S0108270196000625","","","0.71073","MoKα","","0.1117","0.042","","0.0853","0.0692","","","","0.888","1.218","1.218","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005138","11.0672","0.0008","17.685","0.0012","12.0475","0.0008","90","","111.945","0.005","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","morusin","2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.08","0.0605","","0.2162","0.1848","","","","0.787","0.778","0.778","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005139","11.326","0.002","11.806","0.002","9.688","0.002","99.87","0.02","103.31","0.02","105.73","0.01","1175","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","morusindimethylether","2-(2,4-dimethoxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.0546","0.0495","","0.1539","0.1422","","","","0.699","0.693","0.693","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005140","10.08","0.007","12.972","0.007","19.874","0.013","90","","100.22","0.06","90","","2557","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide.","","- C30 H16 Cu N10 -","- C30 H16 Cu N10 -","- C120 H64 Cu4 N40 -","4","1","KA1175","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","(Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","7","1653","1655","10.1107/S010827019600296X","","","0.71073","MoKα","","0.1095","0.0487","","0.1284","0.1013","","","","1.022","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005141","7.087","0.002","10.2878","0.0015","19.539","0.003","88.82","0.012","85.49","0.02","72.92","0.02","1357.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Sodium 1,12-dodecylene disulfate hydrate","","- C12 H25.33 Na2 O8.67 S2 -","- C12 H25.3333 Na2 O8.66667 S2 -","- C36 H76 Na6 O26 S6 -","3","1.5","KA1176","Rudert, R.; Czichocki, G.","Sodium 1,12-Dodecylene Disulfate Hydrate","Acta Crystallographica Section C","1996","52","7","1670","1673","10.1107/S0108270196003071","","","0.71073","MoKα","","0.0852","0.0504","","0.162","0.1366","","","","1.021","1.054","1.054","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005142","6.6813","0.0004","14.7787","0.0009","10.2608","0.0009","90","","96.29","0.02","90","","1007.06","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","His-Tyr dihydrochloride dihydrate","L-Histidyl-L-tyrosinium dichloride dihydrate","","- C15 H24 Cl2 N4 O6 -","- C15 H24 Cl2 N4 O6 -","- C30 H48 Cl4 N8 O12 -","2","1","KA1180","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1996","52","7","1845","1847","10.1107/S0108270196002430","","","1.54176","CuKα","","0.0329","0.0257","","0.0825","0.066","","","","1.101","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005143","7.3732","0.0007","11.0354","0.0009","13.82","0.001","90","","90","","90","","1124.48","0.16","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","KH1014","Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.","An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","1996","52","7","1841","1843","10.1107/S0108270195016635","","","0.71073","MoKα","","","0.0313","","","0.0379","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005144","10.4375","0.0007","15.835","0.001","11.0997","0.0008","90","","104.151","0.006","90","","1778.9","0.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cis-dichloro-trans-dimethyl-μ-(meso-1,2-bis(n-propilsulfinyl)ethane)tin(IV)]","","- C10 H24 Cl2 O2 S2 Sn -","- C10 H24 Cl2 O2 S2 Sn -","- C40 H96 Cl8 O8 S8 Sn4 -","4","1","KH1065","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(propylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1627","1629","10.1107/S0108270196002090","","","0.7107","MoKα","","","0.0325","","","0.0927","","","","","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005145","6.713","0.003","12.602","0.004","10.869","0.006","90","","94.1","0.05","90","","917.1","0.7","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","1","KH1080","Okabe, N.; Miura, J.; Shimosaki, A.","Kynurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","7","1827","1829","10.1107/S0108270196001734","","","0.71069","MoKα","","","0.096","","","0.079","","","","","1.62","1.62","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005146","9.089","0.002","9.418","0.003","12.575","0.008","89.45","0.04","105.25","0.03","91.85","0.02","1038","0.8","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 In O P -","- C22 H24 In O P -","- C44 H48 In2 O2 P2 -","2","1","KH1081","Wang, W.; Pan, Y.; Huang, X.; Sun, H.; Lu, Z.; Sun, X.","(5-Benzyldibenzo[<i>b</i>,<i>d</i>]phosphole 5-oxide)trimethylindium","Acta Crystallographica Section C","1996","52","7","1661","1663","10.1107/S0108270196001606","","","0.71073","MoKα","","","0.044","","","0.057","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005147","12.71","0.004","20.41","0.006","7.325","0.004","99.86","0.03","99.44","0.03","92.55","0.02","1841.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","2","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","1.5418","CuKα","","0.2183","0.0845","","0.3781","0.2315","","","","0.911","0.906","0.906","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005148","8.551","0.003","36.14","0.01","5.857","0.002","90","","95.09","0.03","90","","1802.9","1","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","0.7107","MoKα","","0.1004","0.0674","","0.2524","0.2313","","","","0.682","0.735","0.735","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005149","10.004","0.001","10.273","0.001","14.719","0.001","90","","90","","90","","1512.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.1035","0.0681","","0.2031","0.1613","","","","1.119","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005150","7.64","0.001","9.842","0.001","11.059","0.001","116.16","0.01","100.76","0.01","90.26","0.01","729.69","0.16","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C30 H40 O8 S2 -","2","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.0578","0.0448","","0.1304","0.1152","","","","1.084","1.063","1.063","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2005151","9.36","0.002","9.845","0.002","15.216","0.004","85.18","0.02","77.79","0.02","63.75","0.02","1229","0.5","118","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 V -","- C28 H28 N2 O7 V -","- C56 H56 N4 O14 V2 -","2","1","MU1216","Hope, H.; Borer, L. L.","5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-hexanedionato-<i>O</i>,<i>O</i>')oxovanadium(IV), [VO(C~27~H~28~N~2~O~5~)]","Acta Crystallographica Section C","1996","52","7","1621","1624","10.1107/S0108270196002636","","","1.54178","CuKα","","0.0908","0.065","","0.1668","0.147","","","","","1.054","1.054","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2005152","14.15","0.003","6.257","0.002","12.433","0.002","90","","109.4","0.01","90","","1038.3","0.4","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,7,8,9-Hexahydro-10-hydroxy-5,9-methano-4H-thieno[3,2-c]azonine, C~11~H~15~NOS","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","MU1226","Kozísek, J.; Berkes, D.; Svoboda, I.; Decroix, B.","5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-methano-4<i>H</i>-thieno[3,2-<i>c</i>]azonine","Acta Crystallographica Section C","1996","52","7","1825","1826","10.1107/S0108270196002612","","","0.71069","MoKα","","0.0329","0.0305","","0.0831","0.0812","","","","1.082","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005153","9.3096","0.0008","7.9319","0.0009","10.4302","0.0008","90","","95.297","0.007","90","","766.91","0.12","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C28 H24 Co2 N4 O20 -","2","0.5","MU1229","Okabe, N.; Miura, J.; Shimosaki, A.","A Hydrated Cobalt(II) Complex of Quinolinic Acid: <i>trans</i>-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","7","1610","1612","10.1107/S0108270196002314","","","0.71069","MoKα","","","0.032","","","0.056","","","","","2.73","2.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005154","9.57","0.002","15.15","0.004","14.602","0.002","90","","99.21","0.02","90","","2089.8","0.8","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd Cl2 N4 -","- C24 H16 Cd Cl2 N4 -","- C96 H64 Cd4 Cl8 N16 -","4","1","MU1246","Wang, H.; Xiong, R.-G.; Chen, H.-Y.; Huang, X.-Y.; You, X.-Z.","<i>cis</i>-Dichlorobis(1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)cadmium(II)","Acta Crystallographica Section C","1996","52","7","1658","1661","10.1107/S0108270196002326","","","0.71069","MoKα","","","0.04","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005155","16.363","0.002","5.8964","0.0004","16.347","0.001","90","","96.84","0.01","90","","1566","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pentafluorophhenyl)diphenylphosphine.","","- C18 H10 F5 P -","- C18 H10 F5 P -","- C72 H40 F20 P4 -","4","1","MU1247","bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K.","(Pentafluorophenyl)diphenylphosphine","Acta Crystallographica Section C","1996","52","7","1725","1727","10.1107/S0108270196001540","","","0.71073","MoKα","","0.0759","0.0402","","0.1266","0.1027","","","","0.921","0.972","0.972","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005156","8.222","0.002","12.244","0.003","17.277","0.004","90","","99","0.01","90","","1717.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","MU1257","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative","Acta Crystallographica Section C","1996","52","7","1789","1791","10.1107/S0108270196004052","","","0.71073","MoKα","","0.2105","0.0742","","0.2042","0.1431","","","","1.015","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005157","12.533","0.002","7.6536","0.0009","16.804","0.002","90","","101.03","0.01","90","","1582.1","0.4","293","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C15 H25 N3 O2 -","- C15 H25 N3 O2 -","- C60 H100 N12 O8 -","4","1","NA1214","Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S.","A Racemic Bicyclic Acylamidine from a Tripeptide Derivative","Acta Crystallographica Section C","1996","52","7","1705","1708","10.1107/S0108270196001102","","","1.54056","CuKα","","","0.045","","","0.042","","","","","0.802","0.802","","","","","has coordinates,has disorder","198895","2020-10-21","18:00:00",""
"2005158","9.835","0.001","13.484","0.001","5.44","0.001","93.51","0.01","93.68","0.01","91.462","0.01","718.27","0.16","293","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C30 H28 N4 O4 S2 -","2","1","NA1222","Cao, Y.; Zhao, B.; Zhang, Y.-Q.; Zhang, D.-C.","1-Benzoyl-3-(4-methoxyphenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1772","1774","10.1107/S0108270196001989","","","0.7107","MoKα","","","0.033","","","0.048","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005159","10.156","0.001","10.751","0.002","13.007","0.002","90","","90","","90","","1420.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Z-2-Phenyl-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethylen]-5(4H)-oxazolone.","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","NA1223","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.","(<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1810","1813","10.1107/S0108270196004246","","","0.71073","MoKα","","0.0742","0.0483","","0.1561","0.1363","","","","1.051","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005160","4.809","0.003","17.846","0.004","8.825","0.005","90","","93.68","0.03","90","","755.8","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","NA1224","Puliti, R.; De Sena, C.; Mattia, C. A.","<i>N</i>-Acetyl-<small>L</small>-phenylalanyl-<small>L</small>-alaninamide","Acta Crystallographica Section C","1996","52","7","1820","1823","10.1107/S0108270196002910","","","1.54056","CuKα","","","0.047","","","0.045","","","","","0.93","0.93","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005161","5.222","0.001","5.406","0.001","10.838","0.002","90.89","0.01","92.34","0.01","110.02","0.01","287.09","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Valine","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C10 H22 N2 O4 -","2","1","NA1226","Dalhus, B.; Görbitz, C. H.","Triclinic Form of <small>DL</small>-Valine","Acta Crystallographica Section C","1996","52","7","1759","1761","10.1107/S0108270196002491","","","0.71069","MoKα","","0.0478","0.0452","","0.1201","0.1177","","","","1.141","1.163","1.163","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005162","9.441","0.002","5.222","0.001","11.337","0.004","90","","109","0.02","90","","528.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","2","NA1229","Görbitz, C. H.; Dalhus, B.","<small>L</small>-Cysteine, Monoclinic Form, Redetermination at 120K","Acta Crystallographica Section C","1996","52","7","1756","1759","10.1107/S0108270196003952","","","0.71069","MoKα","","0.0323","0.0311","","0.0836","0.0825","","","","1.066","1.071","1.071","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005163","9.743","0.006","19.027","0.004","6.973","0.003","90","","100.68","0.04","90","","1270.3","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N3 O4 S2 -","- C7 H10 Cl N3 O4 S2 -","- C28 H40 Cl4 N12 O16 S8 -","4","1","PA1190","Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.","A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride","Acta Crystallographica Section C","1996","52","7","1849","1851","10.1107/S0108270196000017","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.027","2.027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005164","33.979","0.007","6.398","0.001","16.999","0.003","90","","71.69","0.03","90","","3508.4","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Chromen","3,3-diphenyl-[3H]-naphto[2,1-b]pyrane","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.0633","0.05","","0.0633","0.05","","","","1.052","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005165","12.554","0.008","10.631","0.007","17.393","0.009","90","","106.12","0.02","90","","2230","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","1,3,3-triphenyl-[3H]-naphto[2,1-b]pyrane","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.226","0.051","","0.226","0.051","","","","1.16","1.701","1.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005166","10.531","0.006","21.637","0.009","8.55","0.007","90","","99.98","0.02","90","","1919","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","3,3-diphenyl-8,9-pentamethyl-[3H]-furano[3,2-f]chromene or 7,7-diphenyl-[7H]-benzofurano[2,3-g]chromene","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","1.54178","CuKα","","0.0551","0.0432","","0.0551","0.0432","","","","0.75","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005167","6.933","0.002","22.519","0.004","7.408","0.002","90","","94.6","0.03","90","","1152.8","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0479","0.0479","","0.0479","0.0479","","","","0.71","0.71","0.71","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005168","7.116","0.002","23.074","0.004","7.266","0.002","90","","100.45","0.03","90","","1173.2","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0424","0.0424","","0.0424","0.0424","","","","0.64","0.64","0.64","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005169","7.147","0.002","23.199","0.004","7.357","0.002","90","","100.5","0.03","90","","1199.4","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","0.66","0.66","0.66","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005170","14.424","0.004","14.424","0.004","9.996","0.006","90","","90","","120","","1801.1","1.3","120","2","120","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","PA1220","Görbitz, C. H.; Gundersen, E.","<small>L</small>-Valyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1764","1767","10.1107/S0108270196002302","","","0.71069","MoKα","","0.2111","0.0854","","0.1685","0.1326","","","","0.954","1.257","1.257","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005171","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","PA1221","Görbitz, C. H.; Dalhus, B.","Redetermination of <small>L</small>-Leucine at 120K","Acta Crystallographica Section C","1996","52","7","1754","1756","10.1107/S0108270196002296","","","0.71069","MoKα","","0.0491","0.0435","","0.1044","0.1015","","","","1.086","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005172","6.2084","0.0007","13.0294","0.0014","15.0456","0.0011","90","","95.709","0.006","90","","1211","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Isopropylamino)-4-methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H14 N4 O2 S -","- C10 H14 N4 O2 S -","- C40 H56 N16 O8 S4 -","4","1","PA1225","Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J.","3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1996","52","7","1741","1743","10.1107/S0108270196001941","","","1.5418","CuKα","","0.0588","0.0465","","0.1519","0.1458","","","","1.072","1.186","1.186","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005173","31.067","0.005","4.717","0.001","9.851","0.002","90","","91.37","0.02","90","","1443.2","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DL-Norleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","1","PA1228","Dalhus, B.; Görbitz, C. H.","<small>DL</small>-Norleucine, β Form at 120K","Acta Crystallographica Section C","1996","52","7","1761","1764","10.1107/S0108270196003642","","","0.71069","MoKα","","0.1023","0.0572","","0.121","0.1075","","","","0.914","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005174","22.934","0.005","21.728","0.004","11.217","0.002","90","","90","","90","","5589.5","1.9","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone","","- C31 H30 O11 -","- C31 H30 O11 -","- C248 H240 O88 -","8","1","PA1229","Pajunen, A.; Karhunen, P.; Brunow, G.","5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone","Acta Crystallographica Section C","1996","52","7","1815","1817","10.1107/S0108270196003654","","","0.71073","MoKα","","0.0927","0.0547","","0.1379","0.1259","","","","0.861","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005175","10.788","0.006","8.748","0.004","8.966","0.004","103.91","0.04","111.14","0.03","103.85","0.05","714.7","0.7","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","1","1","PT1022","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","7","1624","1627","10.1107/S0108270196001412","","","0.7107","MoKα","","","0.0278","","","0.038","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005176","11.721","0.003","15.778","0.002","20.879","0.004","90","0.02","90","0.02","90","0.02","3861.2","1.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H42 O5 S2 -","- C42 H42 O5 S2 -","- C168 H168 O20 S8 -","4","1","PT1030","Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P.","A New Cyclophane","Acta Crystallographica Section C","1996","52","7","1729","1731","10.1107/S0108270196001400","","","1.5418","CuKα","","0.095","0.07","","0.101","0.077","","","","1.11","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005177","7.259","0.001","12.204","0.002","30.275","0.003","90","","90.779","0.009","90","","2681.8","0.6","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl3 O2 -","- C7 H3 Cl3 O2 -","- C84 H36 Cl36 O24 -","12","3","PT1041","Lalancette, R. A.; Stringer, J. A.; Coté, M. L.","2,4,6-Trichlorobenzoic Acid: Structure and Hydrogen-Bonding Pattern","Acta Crystallographica Section C","1996","52","7","1801","1804","10.1107/S0108270196001369","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005178","13.671","0.003","13.671","0.003","11.4","0.003","90","","90","","120","","1845.2","0.8","223","","223","","","","","","","","","6","P 63","","","","dibromo(tris(diphenylamido)niobium(V)","","- C40 H38 Br2 N3 Nb O -","- C54 H30 Br2 N3 Nb -","- C108 H60 Br4 N6 Nb2 -","2","0.333333","SK1001","Hoffman, D. M.; Rangarajan, S. P.","A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","7","1616","1618","10.1107/S010827019600087X","","","0.71073","MolybdenumKα","","","0.029","","","0.026","","","","","2.2","2.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005179","13.473","0.002","25.444","0.004","16.158","0.004","90","","100.01","0.02","90","","5454.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PNP tetrakis(pentafluorphenyl)gallat","Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat","","- C60 H30 F20 Ga N P2 -","- C60 H30 F20 Ga N P2 -","- C240 H120 F80 Ga4 N4 P8 -","4","1","SK1002","Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.","Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat","Acta Crystallographica Section C","1996","52","7","1663","1666","10.1107/S0108270196001321","","","0.71069","MoKα","","0.2127","0.0741","","0.0871","0.0607","","","","0.986","1.218","1.218","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005180","9.808","0.001","11.591","0.002","17.86","0.001","90","","90","","90","","2030.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-biphenol monohydrate","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","SK1012","Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.","2,2'-Biphenol Monohydrate","Acta Crystallographica Section C","1996","52","7","1727","1729","10.1107/S0108270196002065","","","0.71073","MoKα","","0.0772","0.0474","","0.1422","0.1211","","","","1.022","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005181","10.903","0.001","10.903","0.001","14.813","0.002","90","","90","","90","","1760.9","0.3","173","1","173","1","","","","","","","","3","P 41","P 4w","76","","1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-α-D-allofuranose","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","1","SX1012","Linden, A.; Lee, C. K.; Siew, K. F.","3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K","Acta Crystallographica Section C","1996","52","7","1797","1799","10.1107/S0108270196001151","","","0.71069","MoKα","","0.0655","0.0418","","0.0377","0.0353","","","","","1.733","1.733","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005182","11.002","0.004","12.962","0.005","13.643","0.006","103.94","0.03","92.1","0.03","97.31","0.03","1868.4","1.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C72 H66 N18 O24 -","6","3","SZ1002","Singh, P.; Izydore, R. A.","1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione","Acta Crystallographica Section C","1996","52","7","1817","1820","10.1107/S0108270196000947","","","0.71073","MoKα","","","0.067","","","0.078","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005183","9.811","0.003","12.845","0.002","22.107","0.003","90","","96.65","0.03","90","","2767.2","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","2","SZ1026","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate","Acta Crystallographica Section C","1996","52","7","1731","1733","10.1107/S0108270195017227","","","0.71073","MoKα","","","0.06","","","0.114","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005184","9.937","0.004","9.192","0.001","14.417","0.003","90","","90","","90","","1316.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chlorobenzimidazole","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C56 H40 Cl8 N16 -","8","1","SZ1041","Panneerselvam, K.; Soriano-García, M.","2-Chlorobenzimidazole","Acta Crystallographica Section C","1996","52","7","1799","1801","10.1107/S0108270195017203","","","1.54178","CuKα","","0.0499","0.0482","","0.1736","0.1515","","","","1.231","1.259","1.259","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005185","6.322","0.001","13.476","0.001","9.115","0.002","90","","106.54","0.01","90","","744.4","0.2","213","1","213","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Br4 N O2 -","- C12 H11 Br4 N O2 -","- C24 H22 Br8 N2 O4 -","2","1","TA1058","Banwell, M. G.; Forman, G. S.; Hockless, D. C. R.","(3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile","Acta Crystallographica Section C","1996","52","7","1804","1806","10.1107/S0108270195015319","","","1.5418","CuKα","","","0.0272","","","0.0325","","","","","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005186","7.623","0.002","9.046","0.002","15.768","0.003","80.06","0.02","86.19","0.02","72.03","0.01","1018.7","0.4","213","1","213","1","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H24 Br N O6.5 -","- C21.5 H27 Br N O7 -","- C43 H54 Br2 N2 O14 -","2","1","TA1059","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^)","Acta Crystallographica Section C","1996","52","7","1832","1834","10.1107/S0108270195015332","","","1.5418","CuKα","","","0.0366","","","0.0461","","","","","2.904","2.904","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005187","5.894","0.002","7.234","0.003","8.307","0.003","90.68","0.03","102.81","0.03","103.45","0.03","335.1","0.2","158","2","158","2","","","","","","","","5","P -1","-P 1","2","5-BAP hydrochloride","2-Amino-5-bromopyrimidinium chloride","","- C4 H5 Br Cl N3 -","- C4 H5 Br Cl N3 -","- C8 H10 Br2 Cl2 N6 -","2","1","TA1066","Prince, B. J.; Turnbull, M. M.","2-Amino-5-bromopyrimidinium Chloride","Acta Crystallographica Section C","1996","52","7","1843","1844","10.1107/S0108270195016751","","","0.71073","MoKα","","0.116","0.063","","0.318","0.1365","","","","1.05","0.998","0.998","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005188","18.749","0.004","8.025","0.002","15.115","0.003","90","","95.84","0.02","90","","2262.4","0.9","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa- 1(22),18,20-trien-23-one HgCl~2~ complex","","- C17 H24 Cl2 Hg O5 S2 -","- C17 H24 Cl2 Hg O5 S2 -","- C68 H96 Cl8 Hg4 O20 S8 -","4","1","TA1067","Kubo, K.; Mori, A.; Kato, N.; Takeshita, H.","Preferential Coordination of Mercury(II) to Oxygen over Sulfur Atoms in a Tropone-Attached Dithiocrown Ether","Acta Crystallographica Section C","1996","52","7","1656","1658","10.1107/S0108270196002077","","","1.54184","CuKα","","0.0777","0.0635","","0.1909","0.16","","","","1.136","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005189","10.387","0.005","17.411","0.007","8.1633","0.0008","90","","90","","90","","1476.3","0.9","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","TA1079","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VII. Mitomycin G","Acta Crystallographica Section C","1996","52","7","1806","1808","10.1107/S0108270196000807","","","1.54184","CuKα","","","0.043","","","0.063","","","","","2.22","2.22","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2005190","11.641","0.006","12.245","0.008","26.446","0.005","90","","90","","90","","3770","3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 P4 Ru -","- C40 H40 Cl2 P4 Ru -","- C160 H160 Cl8 P16 Ru4 -","4","1","TA1085","Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G.","<i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II)","Acta Crystallographica Section C","1996","52","7","1639","1641","10.1107/S0108270196003009","","","0.7107","MoKα","","","0.0251","","","0.019","","","","","1.874","1.874","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005191","10.664","0.003","14.088","0.005","12.494","0.002","90","","110.6","0.1","90","","1757","1.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{1-[(2-Hydroxy-4-methylphenyl)iminomethyl]phenyl-2-olato-O,O',N}- piperidinenickel(II)","","- C19 H22 N2 Ni O2 -","- C19 H22 N2 Ni O2 -","- C76 H88 N8 Ni4 O8 -","4","1","AB1328","Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R.","{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","8","1881","1884","10.1107/S0108270196003484","","","0.71073","MoKα","","","0.059","","","0.06","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005192","9.179","0.002","11.104","0.003","12.202","0.002","84.08","0.02","83.98","0.01","75.52","0.02","1193.7","0.5","120","2","120","2","","","","","","","","4","P 1","P 1","1","Gly-Leu-Tyr","Glysyl-L-Leucyl-L-Tyrosin 2 H~2~O 2-propanol","","- C20 H37 N3 O8 -","- C20 H37 N3 O8 -","- C40 H74 N6 O16 -","2","2","AB1338","Dalhus, B.; Görbitz, C. H.","Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate","Acta Crystallographica Section C","1996","52","8","2087","2090","10.1107/S0108270196002041","","","0.71069","MoKα","","0.1068","0.0789","","0.2492","0.222","","","","1.076","1.165","1.165","","","","","has coordinates,has disorder","194533","2020-10-21","18:00:00",""
"2005193","9.977","0.002","14.009","0.003","16.462","0.003","90","","91.21","0.03","90","","2300.3","0.8","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromobis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br N2 O S4 Te -","- C17 H27 Br N2 O S4 Te -","- C68 H108 Br4 N8 O4 S16 Te4 -","4","1","AB1340","Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V.","Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1996","52","8","2022","2024","10.1107/S010827019600234X","","","0.71069","MoKα","","0.0333","0.0278","","0.088","0.0748","","","","1.028","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005194","5.251","0.004","7.782","0.004","7.592","0.005","90","","101.46","0.06","90","","304","0.3","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium hydrogen L-tartrate","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","AB1342","Matsumoto, S.; Kashino, S.","Sodium Hydrogen <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","8","1948","1950","10.1107/S0108270196005288","","","0.71073","MoKα","","","0.026","","","0.033","","","","","2.18","2.18","","","","","has coordinates,has disorder","248647","2020-10-21","18:00:00",""
"2005195","8.959","0.003","13.677","0.008","9.777","0.003","90","","108.78","0.02","90","","1134.2","0.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0324","","","0.0413","","","","","1.713","1.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005196","5.2789","0.0009","7.089","0.002","8.709","0.003","110.42","0.02","94.5","0.02","93.48","0.02","303.13","0.15","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","1","0.5","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0471","","","0.0568","","","","","2.67","2.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005197","10.068","0.001","21.731","0.002","11.293","0.001","90","","98.26","0.01","90","","2445.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 Cl Fe N2 O2 -","- C26 H18 Br2 Cl Fe N2 O2 -","- C104 H72 Br8 Cl4 Fe4 N8 O8 -","4","1","AB1355","Elerman, Y.; Paulus, H.","A Five-Coordinate Bis(<i>p</i>-bromophenylsalicylaldimino)chloroiron(III) Complex","Acta Crystallographica Section C","1996","52","8","1971","1973","10.1107/S0108270196005422","","","0.71069","MoKα","","0.049","0.035","","0.08","0.075","","","","1.049","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005198","6.177","0.0007","9.747","0.001","23.236","0.002","86.94","0.01","89.599","0.009","77.619","0.009","1364.5","0.2","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide.","","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","1","0.5","AB1356","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","<i>N</i>,<i>N</i>'-Bis[<i>trans</i>-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide","Acta Crystallographica Section C","1996","52","8","1961","1963","10.1107/S010827019600203X","","","0.7107","MoKα","","0.0384","0.0268","","0.0691","0.0657","","","","1.049","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005199","9.9456","0.0009","21.011","0.001","14.179","0.001","90","","90","","90","","2962.9","0.4","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C112 H120 N40 O16 -","8","1","AB1357","Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.","Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K","Acta Crystallographica Section C","1996","52","8","2093","2095","10.1107/S0108270196003095","","","1.54184","CuKα","","0.0501","0.035","","0.0829","0.0763","","","","1.014","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005200","8.783","0.001","11.679","0.001","13.194","0.002","81.14","0.01","71.85","0.01","85.672","0.008","1270.2","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylformamide (2/1)","","- C31.5 H27.5 N0.5 O3.5 -","- C31.5 H27.5 N0.5 O3.5 -","- C63 H55 N O7 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1348","0.0585","","0.1971","0.1695","","","","0.876","1.148","1.148","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005201","8.802","0.003","11.707","0.003","13.162","0.004","80.17","0.01","72.07","0.01","84.19","0.01","1269.7","0.7","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylfsulfoxide (2/1)","","- C31 H27 O3.5 S0.5 -","- C31 H27 O3.5 S0.5 -","- C62 H54 O7 S -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.0881","0.0426","","0.1093","0.0982","","","","0.999","1.203","1.203","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005202","8.979","0.001","11.814","0.003","13.329","0.003","96.55","0.02","109.47","0.02","102.4","0.02","1275.2","0.5","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-pyridine (2/1)","","- C32.5 H26.5 N0.5 O3 -","- C32.5 H26.5 N0.5 O3 -","- C65 H53 N O6 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1521","0.0412","","0.1278","0.1059","","","","0.879","1.219","1.219","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005203","9.685","0.0006","6.798","0.0007","15.183","0.001","90","","90","","90","","999.63","0.14","294","1","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-acetylamino-4-methoxy-2-methylthiopyrimidine","","- C8 H11 N3 O2 S -","- C8 H10 N3 O2 S -","- C32 H40 N12 O8 S4 -","4","0.5","AB1363","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Acetamido-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","8","2035","2037","10.1107/S0108270196003423","","","0.7107","MoKα","","0.0852","0.0367","","0.1088","0.0984","","","","0.996","1.195","1.195","","","","","has coordinates,has disorder","200174","2020-10-21","18:00:00",""
"2005204","8.536","0.001","11.805","0.002","14.672","0.002","91.43","0.01","105.97","0.01","93.79","0.01","1416.9","0.4","294","1","294","1","","","","","","","","3","P -1","-P 1","2","5,17-Dicarbethoxy-25,26,27,28-tetrahydroxycalix[4]arene","5,17-diethyloxycarbonylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(18),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol","","- C34 H32 O8 -","- C34 H32 O8 -","- C68 H64 O16 -","2","1","AB1366","Böhmer, V.; Ferguson, G.; Mogck, O.","5,17-Diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1996","52","8","2000","2002","10.1107/S0108270196003496","","","0.7107","MolybdenumKα","","0.0861","0.0464","","0.1385","0.1267","","","","1.068","1.28","1.28","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005205","20.733","0.002","35.97","0.003","14.66","0.001","90","","90","","90","","10932.9","1.6","160","2","160","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 B2 O6 -","- C28 H38 B2 O6 -","- C448 H608 B32 O96 -","16","1","AB1368","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1989","1991","10.1107/S0108270196003836","","","0.71073","MoKα","","0.0353","0.0304","","0.0771","0.0726","","","","1.051","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005206","12.556","0.006","14.408","0.007","14.996","0.008","90","","91.56","0.02","90","","2712","2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(N-2,6-Diisopropylphenyl-N-trimethylsilyl)amido-N](pyridine-N)- (Diethyl ether-O)lithium","","- C24 H41 Li N2 O Si -","- C24 H41 Li N2 O Si -","- C96 H164 Li4 N8 O4 Si4 -","4","1","AB1370","Blake, A. J.; Mountford, P.; Nikonov, G. I.","(Diethyl ether-<i>O</i>)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(trimethylsilyl)amido-<i>N</i>](pyridine-<i>N</i>)lithium","Acta Crystallographica Section C","1996","52","8","1911","1913","10.1107/S010827019600409X","","","0.71073","MoKα","","","0.0749","","","0.0655","","","","","1.0673","1.0673","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005207","10.0809","0.0009","12.1757","0.0009","19.115","0.001","90","","91.443","0.009","90","","2345.5","0.3","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrabenzylgermanium","","- C28 H28 Ge -","- C28 H28 Ge -","- C112 H112 Ge4 -","4","1","AB1377","Ferguson, G.; Glidewell, C.","Tetrabenzylgermanium","Acta Crystallographica Section C","1996","52","8","1889","1891","10.1107/S0108270196004878","","","0.7107","MoKα","","0.1731","0.0564","","0.1171","0.0967","","","","0.828","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005208","7.571","0.001","7.161","0.0007","16.535","0.002","90","","91.81","0.01","90","","896.01","0.18","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-3-(3-pyridyl)isoxazolin-5-one","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","AB1380","Frydenvang, K.; Brehm, L.; di Biase, R.; Falch, E.","2-Ethyl-3-(3-pyridyl)-5(2<i>H</i>)-isoxazolone","Acta Crystallographica Section C","1996","52","8","2102","2105","10.1107/S0108270196006142","","","1.54184","CuKα","","0.0454","0.0371","","0.1065","0.0971","","","","1.071","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005209","9.5156","0.0009","22.206","0.002","11.619","0.001","90","","108.059","0.002","90","","2334.2","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1,2-bis(4'-methylphenyl)ethene","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C112 H88 B8 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0487","0.0385","","0.0999","0.0902","","","","1.07","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005210","16.253","0.001","13.023","0.001","8.5856","0.0008","90","","104.92","0.002","90","","1756","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1-(4'-cyanophenyl)ethene","","- C21 H13 B2 N O4 -","- C21 H13 B2 N O4 -","- C84 H52 B8 N4 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0416","0.0354","","0.0963","0.0882","","","","1.031","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005211","14.062","0.004","12.046","0.002","11.697","0.002","90","","102.63","0.02","90","","1933.4","0.7","291","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","BK1124","Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J.","Formylation <i>versus</i> Alkylation of Secondary Amines in DMF","Acta Crystallographica Section C","1996","52","8","2069","2071","10.1107/S010827019600056X","","","1.54178","CuKα","","","0.0464","","","0.0539","","","","","2.47","2.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005212","5.534","0.002","12.759","0.002","5.74","0.002","90","","104.77","0.02","90","","391.9","0.2","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 Ca N O7 P -","- C3 H8 Ca N O7 P -","- C6 H16 Ca2 N2 O14 P2 -","2","1","BK1190","Suga, T.; Okabe, N.","Aqua(<small>L</small>-<i>O</i>-serine phosphato)calcium(II)","Acta Crystallographica Section C","1996","52","8","1894","1896","10.1107/S0108270196002648","","","0.71069","MoKα","","","0.024","","","0.029","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005213","7.08","0.002","10.007","0.001","16.482","0.002","90","","90.3","0.02","90","","1167.7","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-bis[chloro(2-(N-propylaminomethyl)pyridine)copper(II)]","","- C18 H28 Cl4 Cu2 N4 -","- C18 H28 Cl4 Cu2 N4 -","- C36 H56 Cl8 Cu4 N8 -","2","0.5","BK1213","Wahnon, D.; Keith, C.; Chin, J.; Hynes, R. C.","Di-μ-chloro-bis{chloro[2-(<i>N</i>-propylaminomethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)}","Acta Crystallographica Section C","1996","52","8","1877","1879","10.1107/S0108270196003459","","","0.7107","MolybdenumKα","","0.05","0.032","","0.032","0.031","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005214","8.439","0.001","16.864","0.002","11.01","0.001","90","","109.56","0.01","90","","1476.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-thiosulphato-S,O)-bis(dimethylphenanthrolyne cadmium(II))","","- C28 H24 Cd2 N4 O6 S4 -","- C28 H24 Cd2 N4 O6 S4 -","- C56 H48 Cd4 N8 O12 S8 -","2","0.5","BK1214","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","Bis(μ-thiosulfato)-1κ<i>O</i>,1:2κ^2^<i>S</i>;2κ<i>O</i>,1:2κ^2^<i>S</i>-bis[(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","1996","52","8","1939","1942","10.1107/S0108270196003502","","","0.71073","MoKα","","0.0311","0.0252","","0.0638","0.0591","","","","1.056","1.067","1.067","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005215","9.003","0.003","8.896","0.005","24.832","0.004","90","","94.29","0.03","90","","1983.2","1.3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","calcium o-tolidine-6,6'-disulfonate tetrahydrate","","- C14 H22 Ca N2 O10 S2 -","- C14 H22 Ca N2 O10 S2 -","- C56 H88 Ca4 N8 O40 S8 -","4","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.078","0.036","","0.068","0.037","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005216","13.163","0.007","16.122","0.007","11.814","0.005","93.23","0.04","112.97","0.04","106.5","0.04","2173","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","calcium o-tolidine-6,6'-disulfonate dodecahydrate","","- C28 H54 Ca N4 O24 S4 -","- C28 H44 Ca N4 O24 S4 -","- C56 H88 Ca2 N8 O48 S8 -","2","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.16","0.049","","0.062","0.05","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005217","15.754","0.001","19.29","0.001","13.205","0.001","90","","92.1","0.01","90","","4010.2","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N5 O3 -","- C21 H22 N5 O3 -","- C168 H176 N40 O24 -","8","2","BM1044","Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K.","9-Benzyl-7-[(<i>E</i>)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","8","2076","2078","10.1107/S0108270196002946","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005218","32.41","0.01","32.41","0.01","6.056","0.003","90","","90","","90","","6361","4","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H17.5 Cl N4 O1.25 S -","- C14 H17.5 Cl N4 O1.25 S -","- C224 H280 Cl16 N64 O20 S16 -","16","1","BM1047","Kovala-Demertzi, D.; Varagi, V.; Demertzis, M. A.; Raptopoulou, C. P.; Terzis, A.","2-Acetylpyridinium 4<i>N</i>-Phenylthiosemicarbazone Chloride 1.25-Hydrate","Acta Crystallographica Section C","1996","52","8","2027","2029","10.1107/S010827019600176X","","","0.7107","MoKα","","","0.0351","","","0.035","","","","","2.35","2.35","","","","","has coordinates","190703","2020-10-21","18:00:00",""
"2005219","10.214","0.001","9.361","0.002","19.097","0.002","90","","99.34","0.04","90","","1801.7","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 Ni O S -","- C21 H20 N2 Ni O S -","- C84 H80 N8 Ni4 O4 S4 -","4","1","BM1064","Ülkü, D.; Tahir, M. N.; Üçar, G.; Atakol, O.","(Pyrrolidine-<i>N</i>)[1-(2-thiophenyliminomethyl)-2-naphtholato(2‒)-<i>N</i>,<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1996","52","8","1884","1885","10.1107/S0108270196003848","","","0.71069","MoKα","","","0.039","","","0.039","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005220","12.893","0.004","6.215","0.002","18.8","0.008","90","","95.06","0.03","90","","1500.6","0.9","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cholesteryl p-Toluenesulfonate","","- C34 H52 O3 S -","- C34 H52 O3 S -","- C68 H104 O6 S2 -","2","1","BM1066","Cox, P. J.; Buchanan, H. J.; Wardell, J. L.","Redetermination of Cholesteryl <i>p</i>-Toluenesulfonate at 150K","Acta Crystallographica Section C","1996","52","8","2111","2113","10.1107/S0108270196003150","","","0.71073","MoKα","","0.0981","0.0494","","0.1066","0.096","","","","0.659","0.888","0.888","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005221","11.851","0.006","15.298","0.009","27.35","0.02","90","","90","","90","","4958","5","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C216 H192 Cl8 N40 O16 -","8","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0425","0.0425","","0.1161","0.1161","","","","1.039","1.039","1.039","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005222","7.375","0.002","11.888","0.006","14.103","0.006","101.34","0.04","94.75","0.03","91.2","0.03","1207.3","0.9","298","2","293","2","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C54 H48 Cl2 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0393","0.0393","","0.1083","0.1083","","","","1.048","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005223","7.411","0.002","11.784","0.002","13.989","0.004","101.61","0.02","94.29","0.02","92.15","0.02","1191.6","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","","- C26 H21 Cl2 N5 O2 -","- C26 H21 Cl2 N5 O2 -","- C52 H42 Cl4 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0504","0.046","","0.1232","0.1188","","","","1.068","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005224","6.594","0.001","10.763","0.002","11.649","0.002","90","","105.36","0.01","90","","797.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Di-mu-chloro-dichlorobis(trimethylphosphine)diplatinum(II)","","- C6 H18 Cl4 P2 Pt2 -","- C6 H18 Cl4 P2 Pt2 -","- C12 H36 Cl8 P4 Pt4 -","2","0.5","BM1079","Boag, N. M.; Ravetz, M. S.","<i>trans</i>-Di-μ-chloro-bis[chloro(trimethylphosphine-<i>P</i>)platinum(II)]","Acta Crystallographica Section C","1996","52","8","1942","1943","10.1107/S0108270196004301","","","0.71073","MoKα","","0.0629","0.0426","","0.1131","0.1014","","","","1.032","1.063","1.063","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005225","4.655","0.002","8.565","0.003","9.103","0.003","90","","97.8","0.01","90","","359.6","0.2","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt tripolyphosphate","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005226","4.576","0.001","8.356","0.001","8.921","0.001","90","","98.08","0.01","90","","337.73","0.09","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dinickel tripolyphosphate","","- Li Ni2 O10 P3 -","- Li Ni2 O10 P3 -","- Li2 Ni4 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005227","9.473","0.004","7.802","0.003","6.755","0.002","78.14","0.02","75.58","0.02","77.21","0.02","465.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cl3 H2 O13 Yb -","- Cl3 H2 O13 Yb -","- Cl6 H4 O26 Yb2 -","2","1","BR1135","Belin, C.; Favier, F.; Pascal, J. L.; Tillard-Charbonnel, M.","Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O","Acta Crystallographica Section C","1996","52","8","1872","1874","10.1107/S0108270196001709","","","0.71073","MoKα","","","0.0313","","","0.0389","","","","","0.84","0.84","","","","","has coordinates","199744","2020-10-21","18:00:00",""
"2005228","8.348","0.002","10.326","0.002","9.929","0.002","90","","97.06","0.02","90","","849.4","0.3","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium Uranyl Hydrogenselenite Selenite","","","- H5 N O8 Se2 U -","- N O8 Se2 U -","- N4 O32 Se8 U4 -","4","1","BR1138","Koskenlinna, M.; Valkonen, J.","Ammonium Uranyl Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","8","1857","1859","10.1107/S0108270196002053","","","0.71073","Mo_Kα","","","0.028","","","0.032","","","","","0.503","0.503","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005229","7.947","0.002","11.949","0.003","7.749","0.002","106.19","0.02","96.79","0.02","84.7","0.02","700.3","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","tetraline","1-hydroxy-1-propynyl-2,2-spiro-(1-cyclohex-2 -ene-1-one)-1(2H)-tetraline","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","CF1014","Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K.","A Tetralin Derivative","Acta Crystallographica Section C","1996","52","8","1983","1985","10.1107/S0108270195009711","","","1.5418","CuKα","","0.052","0.039","","0.06","0.046","","","","0.958","0.888","0.888","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005230","11.212","0.002","8.43","0.0008","19.384","0.002","90","","90.81","0.01","90","","1831.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(1R,4R,7S,10R)-7-tert.-butyl-dimethyl-silyloxy- tetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C72 H120 O8 Si4 -","4","1","CF1072","Thommen, M.; Keese, R.; Förtsch, M.","A <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1996","52","8","2051","2053","10.1107/S0108270196002120","","","0.71069","MoKα","","0.0718","0.0421","","0.1246","0.1071","","","","1.062","1.094","1.094","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005231","8.814","0.001","10.329","0.002","13.248","0.005","74.19","0.03","88.31","0.02","85.65","0.02","1157.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H26 Cl2 N4 O3 -","- C23 H26 Cl2 N4 O3 -","- C46 H52 Cl4 N8 O6 -","2","2","CF1077","Bolte, M.","Nearly Centrosymmetric (<i>S</i>)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7<i>H</i>-purine-2,6-dione","Acta Crystallographica Section C","1996","52","8","1985","1987","10.1107/S0108270196002570","","","1.5418","CuKα","","0.0639","0.0627","","0.2054","0.193","","","","1.128","1.121","1.121","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005232","10.58","0.001","13.784","0.003","15.218","0.003","66.59","0.01","86.91","0.03","75.93","0.01","1973.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,6-diaza-4,5-diethoxy-9,9-dimethyl-10-hydroxy-10-isopropyl-9,10- dihydroanthracene","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","2","CF1097","Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P.","Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base","Acta Crystallographica Section C","1996","52","8","2097","2100","10.1107/S010827019600501X","","","0.71073","MoKα","","","0.0527","","0.1067","0.0643","","","","0.965","1.524","1.524","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005233","7.6314","0.0006","10.452","0.002","11.229","0.001","90","","90","","90","","895.7","0.2","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cyanoferrocene","","- C11 H9 Fe N -","- C11 H9 Fe N -","- C44 H36 Fe4 N4 -","4","1","CF1114","Bell, W.; Ferguson, G.; Glidewell, C.","Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds","Acta Crystallographica Section C","1996","52","8","1928","1930","10.1107/S0108270196006233","","","0.7107","MoKα","","0.0554","0.0375","","0.1039","0.0978","","","","0.934","1.015","1.015","","","","","has coordinates","192285","2020-10-21","18:00:00",""
"2005234","4.029","0.001","11.125","0.002","11.775","0.001","97.339","0.009","99.948","0.009","90.04","0.01","515.45","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 Br O3 -","- C11 H7 Br O3 -","- C22 H14 Br2 O6 -","2","1","CR1164","Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","3-Acetyl-6-bromocoumarin","Acta Crystallographica Section C","1996","52","8","2078","2081","10.1107/S0108270195010493","","","0.7093","MoKα","","","0.067","","","0.067","","","","","1.298","1.298","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005235","11.9292","0.0005","8.8839","0.0005","14.214","0.001","90","","105.089","0.004","90","","1454.43","0.15","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","CR1187","Goeta, A. E.; Punte, G.; Jios, J. L.; Autino, J. C.","2-Acetylphenyl 1-Naphthoate","Acta Crystallographica Section C","1996","52","8","2045","2047","10.1107/S0108270196001266","","","0.71073","MoKα","","","0.0342","","","0.0411","","","","","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005236","7.1551","0.0007","13.528","0.001","9.9826","0.0009","90","","90.748","0.008","90","","966.18","0.15","183","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","CR1202","Freeman, F.; Scheuerman, R. A.; Ziller, J. W.","1-(4-Amino-6-methyl[1,3]oxazolo[5,4-<i>d</i>]pyrimidin-2-yl)-1-deoxy-<small>D</small>-ribose 5-Benzoate Dihydrate","Acta Crystallographica Section C","1996","52","8","2006","2008","10.1107/S0108270196001242","","","0.71073","MoKα","","","0.048","","","0.062","","","","","1.95","1.95","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005237","7.101","0.002","12.521","0.003","8.877","0.002","90","","110.6","0.03","90","","738.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Cu N4 -","- C10 H24 Br2 Cu N4 -","- C20 H48 Br4 Cu2 N8 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.057","","","0.053","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005238","9.892","0.002","6.508","0.002","16.648","0.003","90","","107.16","0.03","90","","1024","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C20 H72 Cl4 Mn1.32 N8 Ni0.68 O12 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.077","","","0.13","","","","","1.2","1.2","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005239","6.415","0.002","7.427","0.002","21.074","0.004","90","","90.99","0.03","90","","1003.9","0.5","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H35 Cl2.5 Co0.5 Mn0.5 N4 O5.5 -","- C10 H32 Cl3 Co0.5 Mn0.5 N4 O5 -","- C20 H64 Cl6 Co Mn N8 O10 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.065","","","0.073","","","","","1.23","1.23","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005240","15.082","0.003","9.19","0.0003","26.499","0.005","90","","90.533","0.009","90","","3672.7","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 Mo26 O48 Sr4 -","- Ga3 Mo26 O48 Sr4 -","- Ga12 Mo104 O192 Sr16 -","4","1","DU1150","Tortelier, J.; Gougeon, P.","Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~‒Mo~10~‒Mo~7~ Chains","Acta Crystallographica Section C","1996","52","8","1862","1867","10.1107/S0108270196002727","","","0.71073","MoKα","","","0.036","","","0.039","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005241","9.711","0.001","10.907","0.002","20.669","0.003","89.58","0.01","84.04","0.01","85.54","0.01","2170.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2,2'(1,2'-bicyclohexenyl))bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","","- C51.4 H52.8 O0.85 P2 Pt -","- C48 H46 P2 Pt -","- C96 H92 P4 Pt2 -","2","1","FG1046","Abboud, K. A.; Lu, Z.; Jones, W. M.","[2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","8","1909","1911","10.1107/S0108270196000133","","","0.71073","MoKα","","0.0492","0.0367","","0.0827","0.0786","","","","0.995","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005242","15.557","0.009","13.138","0.004","17.899","0.005","90","","90","","90","","3658","3","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C168 H176 N16 O16 -","8","1","FG1159","Gong, Y.; Robinson, P. D.; Bausch, M. J.","5,5-Diethyl-1-methyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>-pyrimidine-2-spiro-9'-fluorene-4,6-dione","Acta Crystallographica Section C","1996","52","8","2081","2084","10.1107/S0108270196001485","","","0.71069","MoKα","","","0.048","","","0.044","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005243","6.553","0.004","10.893","0.004","20.492","0.002","90","","94.09","0.02","90","","1459","1","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C35 H50 -","- C35 H50 -","- C70 H100 -","2","1","FG1167","Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.","Naphtho[2,3-<i>b</i>]cholestane","Acta Crystallographica Section C","1996","52","8","2113","2115","10.1107/S0108270196003599","","","0.71069","MoKα","","","0.0595","","","0.0611","","","","","3.158","3.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005244","10.223","0.003","14.096","0.003","21.454","0.008","90","","90","","90","","3091.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)","","- C36 H28 Cl O3 P2 Re -","- C36 H28 Cl O3 P2 Re -","- C144 H112 Cl4 O12 P8 Re4 -","4","1","FG1173","Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.","Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)","Acta Crystallographica Section C","1996","52","8","1968","1971","10.1107/S0108270196004106","","","1.54056","CopperKα","","0.0393","0.031","","0.065","0.0625","","","","0.74","0.781","0.781","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005245","13.511","0.001","8.72","0.001","13.972","0.002","90","","102.177","0.009","90","","1609.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[di(2-aminoethyl)amine]nickel(II) chloride monohydrate","","- C8 H28 Cl2 N6 Ni O -","- C8 H28 Cl2 N6 Ni O -","- C32 H112 Cl8 N24 Ni4 O4 -","4","1","FG1177","Hynes, R. C.; Willis, C. J.; Vittal, J. J.","Bis[di(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) Chloride Monohydrate, a Redetermination","Acta Crystallographica Section C","1996","52","8","1879","1881","10.1107/S0108270196005835","","","0.71073","MoKα","","0.0488","0.035","","0.0833","0.077","","","","1.034","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005246","17.381","0.004","18.414","0.003","9.591","0.002","90","","90","","90","","3069.6","1.1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 P2 -","- C40 H30 P2 -","- C160 H120 P8 -","4","1","FG1181","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","(+)-(4b<i>R</i>,8b<i>R</i>,8c<i>R</i>,8d<i>R</i>)-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-bis(diphenylphosphine)","Acta Crystallographica Section C","1996","52","8","2095","2097","10.1107/S0108270196004477","","","1.5418","CuKα","","","0.031","","0.051","0.033","","","","0.035","1.9","1.9","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005247","8.427","0.002","9.043","0.002","10.195","0.002","115.61","0.02","102.39","0.02","90.07","0.02","680.4","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","{trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetane} -bis(pentacarbonylchromium(0))","","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","1","0.5","FG1186","Jones, P. G.","<i>trans</i>-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetanediyl-1,3-bis[pentacarbonylchromium(0)]","Acta Crystallographica Section C","1996","52","8","1919","1921","10.1107/S0108270196004817","","","0.71073","MoKα","","0.0232","0.0219","","0.0632","0.059","","","","1.08","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005248","14.817","0.003","17.322","0.004","16.788","0.003","90","","107.24","0.02","90","","4115.2","1.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3',5'-Bis-trifluoromethyl-phenyl)-8-(4""-methoxy-phenyl)-naphthalene","","- C25 H16 F6 O -","- C25 H16 F6 O -","- C200 H128 F48 O8 -","8","2","FG1206","Bahl, A.; Grahn, W.; Jones, P. G.","1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4-methoxyphenyl)naphthalene: a Novel Three-Dimensional Non-Linear Optical Chromophore","Acta Crystallographica Section C","1996","52","8","2014","2017","10.1107/S0108270196007834","","","0.71073","MoKα","","0.0968","0.0535","","0.1365","0.1027","","","","1.078","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005249","9.376","0.001","9.187","0.002","22.287","0.005","90","","94.62","0.01","90","","1913.5","0.6","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl-{4-[8-(4-trifluoromethyl-phenyl)-naphthalen-1-yl]-phenyl}-selane","","- C24 H17 F3 Se -","- C24 H17 F3 Se -","- C96 H68 F12 Se4 -","4","1","FG1208","Bahl, A.; Grahn, W.; Jones, P. G.","Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide","Acta Crystallographica Section C","1996","52","8","2017","2020","10.1107/S0108270196007846","","","0.71073","MoKα","","0.064","0.0492","","0.1327","0.1132","","","","1.038","1.03","1.03","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005250","11.815","0.003","19.334","0.002","8.839","0.002","90","","90","","90","","2019.1","0.7","294.2","","294.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","FG1210","Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J.","(Acetonitrile)[<i>N</i>,<i>N</i>-bis(3-aminopropyl)-1,3-propanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","8","1957","1959","10.1107/S0108270196007858","","","0.7107","MoKα","","0.2274","0.0392","","0.0473","0.0339","","","","","1.581","1.581","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005251","14.605","0.003","9.877","0.002","7.569","0.001","90","","92.44","0.02","90","","1090.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H30 N2 S4 Zn2 -","- C14 H30 N2 S4 Zn2 -","- C28 H60 N4 S8 Zn4 -","2","0.5","HU1091","Malik, M. A.; O'Brien, P.; Motevalli, M.","Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)","Acta Crystallographica Section C","1996","52","8","1931","1933","10.1107/S0108270196002831","","","0.71069","MoKα","","0.05","0.0337","","0.0918","0.0886","","","","1.024","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005252","9.387","0.0004","10.0616","0.0004","21.722","0.001","90","","90","","90","","2051.6","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4""S)-3-(4""-Benzyl-oxazolidin-2""-one-3""-yl) -3-oxo-2-(2'-vinyl-cyclohexyl)-propionic acid methyl ester","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","1.54178","CuKα","","0.0491","0.0429","","0.1122","0.1072","","","","1.044","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005253","9.272","0.005","9.699","0.002","21.21","0.006","90","","90","","90","","1907.4","1.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4''S)-3-(4''-Benzyl-oxazolidin-2''-one-3''-yl) -3-oxo-2-(2'-vinyl-cyclopentyl)-propionic acid methyl ester","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","0.71073","MoKα","","0.0495","0.0415","","0.1072","0.0979","","","","1.079","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005254","9.364","0.001","10.457","0.001","11.311","0.002","71.47","0.01","76.13","0.01","75.27","0.01","1000.3","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","Dicyano[7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0] hept-2,4-diene-3-ium-3-yl]methanide","","- C24 H22 N4 -","- C24 H22 N4 -","- C48 H44 N8 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.144","0.0574","","0.1442","0.0947","","","","0.97","1.392","1.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005255","8.978","0.001","9.367","0.001","12.043","0.002","76.54","0.01","76.58","0.01","63.662","0.009","873","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Dicyano[4-benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-diene-1-ium-1-yl] methanide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.0638","0.0329","","0.0714","0.0652","","","","0.839","0.969","0.969","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005256","7.646","0.004","7.646","0.004","26.29","0.01","90","","90","","120","","1331","1.1","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cl7 Cs4 Yb -","- Cl7.02 Cs4 Yb -","- Cl21.06 Cs12 Yb3 -","3","0.0833333","JZ1121","Reuter, G.; Sebastian, J.; Frenzen, G.","Tetracaesium Ytterbium Heptachloride with Partly Disordered Chloride Ions","Acta Crystallographica Section C","1996","52","8","1859","1862","10.1107/S0108270196003137","","","0.71073","MoKα","","0.0409","0.0395","","0.0921","0.0914","","","","1.27","1.272","1.272","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005257","14.0585","0.0009","7.6504","0.0004","18.655","0.001","90","","93.599","0.006","90","","2002.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodo-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 I2 N4 O6 Zn -","- C16 H16 I2 N4 O6 Zn -","- C64 H64 I8 N16 O24 Zn4 -","4","0.5","JZ1127","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Diiodobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","8","1917","1919","10.1107/S0108270196004295","","","0.71069","MoKα","","0.0221","0.0208","","0.0537","0.0531","","","","1.113","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005258","7.345","0.003","10.532","0.003","15.129","0.004","102","0.02","100.16","0.02","80.99","0.03","1118","0.6","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","2","KA1137","Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C.","17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene","Acta Crystallographica Section C","1996","52","8","2037","2040","10.1107/S0108270195011309","","","1.54184","CuKα","","","0.067","","","0.068","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005259","12.032","0.001","7.742","0.001","15.148","0.001","90","","90.92","0.01","90","","1410.9","0.2","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","KA1168","Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.","Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from <i>Ficus thunbergii</i>","Acta Crystallographica Section C","1996","52","8","2024","2026","10.1107/S0108270196001588","","","0.71073","MoKα","","","0.056","","","0.049","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005260","5.432","0.001","3.769","0.001","21.959","0.004","90","","95.66","0.03","90","","447.38","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 N8 O4 -","- C2 H14 N8 O4 -","- C4 H28 N16 O8 -","2","0.5","KA1171","Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B.","Bis(hydrazinium) <i>N</i>,<i>N</i>'-Dinitroethylenediaminate(2 ‒)","Acta Crystallographica Section C","1996","52","8","2002","2004","10.1107/S0108270196002521","","","0.71073","MoKα","","0.0482","0.0318","","0.1006","0.0897","","","","1.034","1.073","1.073","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005261","8.481","0.002","7.584","0.002","14.917","0.003","90","","100.6","0.2","90","","943.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4,6-Dichloro-[1,3,5]triazin-2-ylethynyl)-dimethyl-amine","","- C7 H6 Cl2 N4 -","- C7 H6 Cl2 N4 -","- C28 H24 Cl8 N16 -","4","1","KA1174","Wilhelm, P.; Boss, C.; Pfammatter, M.; Thommen, M.; Ploom, T.; Schauder, S.; Berger, U.; Vanhelmont, F.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","(4,6-Dichloro-1,3,5-triazin-2-ylethynyl)dimethylamine","Acta Crystallographica Section C","1996","52","8","2004","2006","10.1107/S0108270196002545","","","0.71069","MoKα","","0.0715","0.0308","","0.0876","0.0797","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005262","11.773","0.003","11.408","0.001","14.83","0.003","90","","112.32","0.02","90","","1842.5","0.7","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O S -","- C19 H23 N3 O S -","- C76 H92 N12 O4 S4 -","4","1","KA1178","Sudha, L.; Selvan, J. S.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1,3-Bis(2-methylphenyl)-2-(4-morpholino)isothiourea","Acta Crystallographica Section C","1996","52","8","2047","2049","10.1107/S0108270196002429","","","1.54184","CuKα","","","0.058","","0.175","0.141","","","","1.138","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005263","6.41","0.003","13.34","0.004","23.851","0.005","90","","90","","90","","2039.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-Estradiol 3-benzoate","(17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate","","- C25 H28 O3 -","- C25 H28 O3 -","- C100 H112 O12 -","4","1","KA1186","Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.","17β-Estradiol 3-Benzoate","Acta Crystallographica Section C","1996","52","8","1997","2000","10.1107/S0108270196002752","","","1.54178","CuKα","","0.0369","0.0348","","0.0958","0.0936","","","","1.039","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005264","7.665","0.001","14.816","0.001","13.237","0.001","90","","93.83","0.001","90","","1499.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl-2-(propyl-amino)-penthane","","- C14 H24 Cl N -","- C14 H24 Cl N -","- C56 H96 Cl4 N4 -","4","2","KA1192","Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.","1-Phenyl-2-(propylamino)pentane, a Memory Enhancer","Acta Crystallographica Section C","1996","52","8","2090","2092","10.1107/S0108270196005148","","","1.5418","CuKα","","0.1074","0.0528","","0.1654","0.1568","","","","1.024","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005265","10.303","0.002","23.585","0.003","5.335","0.003","90","","90","","90","","1296.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trimethylsilyl N-p-bromo phenyl carbamate","","- C10 H14 Br N O2 Si -","- C10 H14 Br N O2 Si -","- C40 H56 Br4 N4 O8 Si4 -","4","1","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.0743","0.0417","","0.1257","0.0985","","","","1.098","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005266","18.508","0.005","6.24","0.009","28.128","0.006","90","","94.57","0.02","90","","3238","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trimethylsilyl N-phenyl N-tert-buthyl carbamate","","- C14 H23 N O2 Si -","- C14 H23 N O2 Si -","- C112 H184 N8 O16 Si8 -","8","2","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.1177","0.0434","","0.1435","0.1027","","","","1.082","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005267","8.398","0.002","9.858","0.002","12.781","0.003","94.89","0.01","103.94","0.02","113.36","0.02","923.2","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","β-zearalenol sesquihydrate","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C36 H54 O13 -","2","2","KA1204","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","β-Zearalenol Sesquihydrate","Acta Crystallographica Section C","1996","52","8","1995","1997","10.1107/S0108270196006415","","","1.54178","CuKα","","0.0361","0.0342","","0.091","0.0886","","","","1.068","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005268","11.364","0.002","8.485","0.002","9.868","0.002","90","","109.24","0.03","90","","898.4","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O3 -","- C4 H8 N8 O3 -","- C16 H32 N32 O12 -","4","1","KH1062","Dong, S.; Zhang, G.; Chen, B.; Ou, Y.; Jai, H.","A New Energetic Material: an Azidoethylamine Salt of Triazole","Acta Crystallographica Section C","1996","52","8","2057","2058","10.1107/S0108270196004921","","","0.71073","MoKα","","","0.0501","","","0.0551","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005269","8.387","0.008","12.111","0.002","12.619","0.002","111.27","0.02","102.06","0.03","99.81","0.05","1124.7","1.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 Dy O -","- C28 H25 Dy O -","- C56 H50 Dy2 O2 -","2","1","KH1066","Zhou, X.; Ma, H.; Wu, Z.; You, X.; Xu, Z.; Zhang, Y.; Huang, X.","Benzophenone Adduct of Tris(cyclopentadienyl)dysprosium","Acta Crystallographica Section C","1996","52","8","1875","1877","10.1107/S0108270196002934","","","0.71073","MoKα","","","0.03","","","0.039","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005270","7.793","0.002","12.448","0.002","13.021","0.003","82.1","0.03","75.06","0.03","86.06","0.03","1208.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis (2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) copper(II) hydrate","","- C28 H20 Cu N4 O9 -","- C28 H20 Cu N4 O9 -","- C56 H40 Cu2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.2333","0.1053","","0.278","0.1202","","","","3.6","3.6","3.6","","","","","has coordinates,has disorder","200176","2020-10-21","18:00:00",""
"2005271","7.778","0.002","12.219","0.002","12.93","0.003","83.24","0.03","75.71","0.03","86.45","0.03","1181.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","bis(2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) cobalt(II) hydrate","","- C28 H20 Co N4 O9 -","- C28 H20 Co N4 O9 -","- C56 H40 Co2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.1242","0.0644","","0.1056","0.0868","","","","1.14","1.14","1.14","","","","","has coordinates,has disorder","200176","2020-10-21","18:00:00",""
"2005272","8.683","0.003","16.309","0.005","9.216","0.004","90","","99.25","0.03","90","","1288.1","0.8","296","","","","","","","","","","","6","P 1 21 1","","","","","","- C18 H41 Cl N4 O7 Zn -","- C18 H41 Cl N4 O7 Zn -","- C36 H82 Cl2 N8 O14 Zn2 -","2","1","KH1072","H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang","(Acetato-<i>O</i>)(<i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate Monohydrate","Acta Crystallographica Section C","1996","52","8","1946","1948","10.1107/S0108270196004945","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005273","12.221","0.003","20.75","0.003","13.902","0.002","90","","106.94","0.02","90","","3372.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrachlorotin Bis(diphenylphosphonato)ferrocene.","","- C34 H28 Cl4 Fe O2 P2 Sn -","- C34 H28 Cl4 Fe O2 P2 Sn -","- C136 H112 Cl16 Fe4 O8 P8 Sn4 -","4","1","KH1088","Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.","[1,1'-Bis(diphenylphosphonato-<i>O</i>)ferrocene]tetrachlorotin","Acta Crystallographica Section C","1996","52","8","1966","1968","10.1107/S0108270196001758","","","0.71073","MoKα","","0.0451","0.0331","","0.0912","0.0865","","","","0.98","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005274","10.845","0.001","7.773","0.001","24.018","0.001","90","","97.37","0.01","90","","2007.9","0.3","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*,2R*)-2-[(S*)-1-benzyloxyethyl]-1-(1-[(Z)-(2,4-dinitrophenylhydrazono] ethyl)cyclopropane","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C80 H88 N16 O20 -","4","1","KH1094","Ohba, S.","(1<i>R</i>*,2<i>R</i>*)-2-[(<i>S</i>*)-1-Benzyloxyethyl]-1-cyclopropyl Methyl Ketone (<i>Z</i>)-2,4-Dinitrophenylhydrazone","Acta Crystallographica Section C","1996","52","8","2118","2119","10.1107/S0108270196004283","","","0.71073","MoKα","","","0.0566","","","0.0541","","","","","1.89","1.89","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005275","15.328","0.007","15.621","0.006","12.427","0.004","103.18","0.03","93.98","0.04","110.49","0.03","2677","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 O4 P2 S4 Zn -","- C20 H28 N2 O4 P2 S4 Zn -","- C80 H112 N8 O16 P8 S16 Zn4 -","4","2","MU1140","Zhu, D.-L.; Yu, Y.-P.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Liu, Q.; Xu, Z.; You, X.-Z.","<i>catena</i>-Poly[bis(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>)zinc(II)-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","1996","52","8","1963","1966","10.1107/S010827019600368X","","","0.71073","MoKα","","","0.055","","","0.07","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005276","9.942","0.002","9.245","0.002","20.982","0.004","90","0.02","99.12","0.02","90","0.02","1904.2","0.7","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zinc-meso-tetra-p-tolylporphyrin","","- C48 H36 N4 Zn -","- C48 H36 N4 Zn -","- C96 H72 N8 Zn2 -","2","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.0594","0.0473","","0.1461","0.1352","","","","1.012","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005277","32.468","0.009","9.532","0.001","15.048","0.002","90","0.01","112.03","0.02","90","0.01","4317.1","1.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc-meso-tetra-p-tolylporphyrin m-chlorotoluene solvate","","- C55 H43 Cl N4 Zn -","- C48 H36 N4 Zn -","- C192 H144 N16 Zn4 -","4","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.1391","0.0975","","0.2834","0.2656","","","","1.405","1.669","1.669","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005278","6.397","0.001","10.405","0.001","12.347","0.001","69.78","0.01","85.58","0.01","78.77","0.01","756.37","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C6 H16 Ag Cl N4 O4 S2 -","- C6 H16 Ag Cl N4 O8 S2 -","- C12 H32 Ag2 Cl2 N8 O16 S4 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.046","0.0384","","0.1148","0.1104","","","","1.044","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005279","9.887","0.001","10.096","0.001","10.687","0.001","90.96","0.01","105.68","0.01","95.15","0.01","1021.99","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C9 H24 Ag Cl N6 O4 S3 -","- C9 H24 Ag Cl N6 O4 S3 -","- C18 H48 Ag2 Cl2 N12 O8 S6 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.035","0.0318","","0.0861","0.0844","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005280","13.329","0.002","13.647","0.001","14.467","0.001","89.7","0.01","79.47","0.01","80.09","0.01","2547.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Isothiocyanatotris(triphenylphosphine)silver(I) chloroform solvate","","- C56 H46 Ag Cl3 N P3 S -","- C56 H46 Ag Cl3 N P3 S -","- C112 H92 Ag2 Cl6 N2 P6 S2 -","2","1","MU1253","Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I.","(Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1933","1935","10.1107/S0108270196003733","","","0.71073","MoKα","","0.0672","0.0513","","0.1641","0.1541","","","","1.059","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005281","8.3934","0.0008","10.009","0.001","11.954","0.001","71.137","0.008","94.378","0.008","93.974","0.009","946.48","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(3-aminopropyl)amine-N,N',N''](glutarato)copper tetrahydrate","","- C11 H33 Cu N3 O9 -","- C11 H33 Cu N3 O9 -","- C22 H66 Cu2 N6 O18 -","2","1","MU1258","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","Aqua[bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''](glutarato-<i>O</i>)copper(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","8","1901","1903","10.1107/S0108270196004064","","","0.71069","MoKα","","0.0604","0.0335","","0.0889","0.0807","","","","1.038","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005282","14.405","0.002","15.805","0.002","20.644","0.005","90","","99.61","0.02","90","","4634.1","1.4","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl14 Cu4 N8 O5 -","- C22 H36 Cl14 Cu4 N8 O5 -","- C88 H144 Cl56 Cu16 N32 O20 -","4","0.5","NA1210","Jackson, G. E.; Voyé, A.; Bourne, S. A.","Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9-nonanediylbis(dimethylammonium)] Tetrachlorohexa-μ-chloro-μ~4~-oxo-tetracuprate(II)","Acta Crystallographica Section C","1996","52","8","1907","1908","10.1107/S0108270196002764","","","0.71073","MoKα","","","0.049","","","0.059","","","","","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005283","5.935","0.004","11.358","0.001","10.49","0.002","90","","94.66","0.01","90","","704.8","0.5","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","0.5","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.038","0.031","","0.044","0.044","","","","0.98","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005284","8.931","0.002","9.066","0.003","10.125","0.001","76.46","0.02","67.08","0.01","66.39","0.03","688.9","0.3","292","","292","","","","","","","","","7","P -1","-P 1","2","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","1","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.064","0.038","","0.057","0.054","","","","1.091","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005285","12.987","0.002","24.929","0.002","15.472","0.002","90","","92","0.02","90","","5006.1","1.1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 Cl3 N P2 Ru -","- C57 H54 Cl3 N P2 Ru -","- C228 H216 Cl12 N4 P8 Ru4 -","4","1","NA1221","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1973","1976","10.1107/S0108270196002776","","","0.71073","MoKα","","","0.0625","","","0.1516","","","","","1.017","1.017","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005286","8.566","0.002","14.191","0.004","7.246","0.002","91.63","0.02","114.41","0.09","91.42","0.02","801.1","0.7","295","","298","","","","","","","","","5","P -1","-P 1","2","","3,4-dihydro-6-(3'-methylbenzyl)-2-(2-methylpropyl)thio-4-oxopyrimidine","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C32 H40 N4 O2 S2 -","2","1","NA1234","Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P.","6-(3-Methylbenzyl)-2-(2-methylpropyl)thio-4(3<i>H</i>)-pyrimidinone (DABO 622)","Acta Crystallographica Section C","1996","52","8","2115","2117","10.1107/S0108270196006117","","","1.54178","CuKα","","","0.056","","","0.067","","","","","1.9","1.9","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005287","17.0543","0.0007","9.6959","0.0006","35.025","0.002","90","","96.813","0.004","90","","5750.7","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl- 1-piperidinebutanamide-N-oxide","","- C29 H37.5 Cl N2 O5.25 -","- C29 H39 Cl N2 O7 -","- C232 H312 Cl8 N16 O56 -","8","1","NA1244","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate)","Acta Crystallographica Section C","1996","52","8","2100","2102","10.1107/S0108270196005884","","","1.54184","CuKα","","0.0637","0.0489","","0.1407","0.1403","","","","1.057","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005288","10.622","0.002","18.234","0.001","10.4","0.002","95.31","0.01","120.16","0.01","96.62","0.01","1703.2","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- H34 Mo9 N6 O35 -","- Mo9 N6 O35 -","- Mo18 N12 O70 -","2","1","OH1091","Yamase, T.; Sugeta, M.; Ishikawa, E.","Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate","Acta Crystallographica Section C","1996","52","8","1869","1872","10.1107/S010827019501585X","","","0.71069","MoKα","","","0.0414","","","0.0337","","","","","1.826","1.826","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005289","8.349","0.0007","17.725","0.002","10.129","0.002","90","","90.866","0.009","90","","1498.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Ag Cu N2 O10 -","- C10 H17 Ag Cu N2 O10 -","- C40 H68 Ag4 Cu4 N8 O40 -","4","1","PA1208","Brouca-Cabarrecq, C.; Marrot, B.; Mosset, A.","A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O","Acta Crystallographica Section C","1996","52","8","1903","1906","10.1107/S0108270195014715","","","1.54184","CuKα","","","0.0297","","","0.0331","","","","","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005290","13.401","0.004","9.103","0.002","12.375","0.008","90","","103.84","0.03","90","","1465.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Nitro-4-methylaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","PA1210","Ellena, J.; Punte, G.; Rivero, B. E.","4-Methyl-2-nitroaniline","Acta Crystallographica Section C","1996","52","8","2074","2076","10.1107/S0108270195016234","","","0.71073","MoKα","","0.1097","0.0533","","0.0937","0.0729","","","","1.38","1.458","1.458","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005291","9.285","0.003","18.287","0.008","19.427","0.006","90","","99.55","0.04","90","","3253","2","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au Cl Fe N P -","- C36 H37 Au Cl Fe N P -","- C144 H148 Au4 Cl4 Fe4 N4 P4 -","4","1","PA1217","Viotte, M.; Gautheron, B.; Parish, R. G.; Pritchard, R. G.","Chloro[(α-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate","Acta Crystallographica Section C","1996","52","8","1891","1894","10.1107/S0108270196001928","","","0.71069","MoKα","","","0.068","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005292","9.8355","0.0004","8.2688","0.0004","14.7126","0.0008","90","","107.567","0.004","90","","1140.74","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","trimethyl(10E,12E)-cis-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C46 H60 O16 -","2","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.0505","0.0413","","0.1121","0.1055","","","","1.049","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005293","13.6059","0.0006","15.6454","0.0006","10.684","0.0005","90","","95.735","0.004","90","","2262.92","0.17","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trimethyl(10E,12Z)-trans-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.152","0.072","","0.1","0.077","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005294","13.183","0.006","7.833","0.002","27.8","0.01","90","","90.56","0.04","90","","2870.6","1.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)copper(I)tetrafluoroborate","","- C24 H28 B Cu F4 N4 S4 -","- C24 H28 B Cu F4 N4 S4 -","- C96 H112 B4 Cu4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0565","0.0493","","0.1541","0.1326","","","","1.049","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005295","13.35","0.003","7.755","0.003","28.028","0.008","90","","90.15","0.02","90","","2901.7","1.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)silver(I)tetrafluoroborat","","- C24 H28 Ag B F4 N4 S4 -","- C24 H28 Ag B F4 N4 S4 -","- C96 H112 Ag4 B4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0502","0.0452","","0.1282","0.1215","","","","1.075","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005296","8.704","0.001","12.636","0.001","17.819","0.002","90","","90","","90","","1959.8","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","SK1036","Bolte, M.; Berger, B.","An Arylsulfonyloxazolidine","Acta Crystallographica Section C","1996","52","8","1987","1989","10.1107/S0108270196007718","","","1.5418","CuKα","","0.029","0.0286","","0.0815","0.0811","","","","1.018","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005297","11.916","0.003","6.132","0.001","17.832","0.003","90","","101.88","0.01","90","","1275.1","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C13 H14 N3 O2 S2 -","- C52 H56 N12 O8 S8 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.043","","","0.042","","","","","2.91","2.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005298","17.124","0.002","5.7739","0.0009","15.34","0.01","90","","91.2","0.02","90","","1516.4","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.05","","","0.064","","","","","3","3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005299","10.144","0.004","10.962","0.003","15.683","0.003","90","","90","","90","","1743.9","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","SZ1020","Sivaraman, J.; Subramanian, K.; Vasanth, S.","Leonotinin","Acta Crystallographica Section C","1996","52","8","2043","2045","10.1107/S0108270195010195","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005300","26.287","0.005","7.44","0.002","17.775","0.004","90","","127.64","0.02","90","","2752.8","1.3","273","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","SZ1027","Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A.","(1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione","Acta Crystallographica Section C","1996","52","8","1981","1983","10.1107/S0108270195010201","","","1.5418","CuKα","","","0.041","","","0.051","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005301","10.563","0.002","16.902","0.002","9.297","0.002","90","","90","","90","","1659.8","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1',3'-dioxolan-2'-yl)-2-methyl-6-nitro -4-(2'-oxopyrrolidin-1'-yl)-2H-1-benzopyran","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","TA1029","Shin, W.; Chae, C. H.; Yoo, S. E.","Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1996","52","8","2058","2060","10.1107/S010827019600248X","","","1.54184","CuKα","","0.0486","0.0341","","0.1335","0.0907","","","","1.495","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005302","8.809","0.001","10.42","0.001","9.642","0.001","90","","90","","90","","885.04","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","","0.048","","0.098","0.078","","","","0.838","0.838","0.838","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005303","8.609","0.002","5.769","0.002","10.478","0.003","72.81","0.04","70.12","0.02","80.92","0.03","466.6","0.3","291","1","291","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C20 H16 N4 Se2 -","2","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","0.039","0.039","","0.105","0.094","","","","1.068","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005304","6.7134","0.0008","9.8931","0.0009","17.485","0.001","90","","92.101","0.008","90","","1160.51","0.19","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0384","","","0.0416","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005305","7.175","0.001","12.0275","0.0008","7.275","0.001","90","","95.51","0.009","90","","624.91","0.13","294","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","0.5","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0676","","","0.0805","","","","","2.1","2.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005306","9.932","0.001","35.972","0.006","30.363","0.004","90","","90","","90","","10848","3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H25 N O Se Sn -","- C31 H25 N O Se Sn -","- C496 H400 N16 O16 Se16 Sn16 -","16","2","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","0.71073","MoKα","","0.0779","0.039","","0.0786","0.0625","","","","1.022","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005307","9.777","0.002","16.692","0.002","15.82","0.001","90","","90","","90","","2581.8","0.6","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methylseleno-N-phenylbenzamide","","- C14 H13 N O Se -","- C14 H13 N O Se -","- C112 H104 N8 O8 Se8 -","8","1","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","1.5418","CuKα(nickelfiltered)","","0.0392","0.029","","0.0795","0.0731","","","","1.049","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005308","8.754","0.002","8.91","0.001","12.992","0.002","90","","90","","90","","1013.4","0.3","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,6,6-Tetramethylpiperidinium chloride","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C36 H80 Cl4 N4 -","4","1","TA1077","Kaplan, R. W.; Turnbull, M. M.","2,2,6,6-Tetramethylpiperidinium Chloride","Acta Crystallographica Section C","1996","52","8","2049","2051","10.1107/S0108270196001679","","","0.71073","MoKα","","0.0551","0.0405","","0.0845","0.0804","","","","0.819","0.889","0.889","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005309","11.663","0.002","10.187","0.002","27.703","0.005","90","","102.3","0.1","90","","3215.9","1.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3α,3aβ,5α,6α)-(+/-)-3,5-Bis-(methoxycarbonyl)-3a-methyl-6-phenyl tetrahydro-2H-pyran-2-one","","- C16 H18 O6 -","- C16 H18 O6 -","- C128 H144 O48 -","8","2","TA1078","Fallon, G. D.; Lawrence, R. M.; Perlmutter, P.","(±)-3α,5α-Bis(methoxycarbonyl)-3β-methyl-6α-phenyltetrahydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1996","52","8","2067","2069","10.1107/S0108270196002089","","","1.5418","CuKα","","","0.0677","","","0.0628","","","","","1.584","1.584","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005310","8.971","0.001","15.511","0.002","8.329","0.001","102.85","0.01","111.46","0.01","73.67","0.01","1025.8","0.2","293","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","1","0.5","TA1088","Kumagai, H.; Endo, M.; Kawata, S.; Kitagawa, S.","A Mixed-Valence Tetranuclear Vanadium(IV, V) Complex, [V~4~O~4~(μ-OEt)~2~(μ-O)~2~(OEt)~4~(phen)~2~]","Acta Crystallographica Section C","1996","52","8","1943","1945","10.1107/S0108270196005781","","","0.7107","MoKα","","","0.06","","","0.054","","","","","3.53","3.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005311","7.471","0.004","21.635","0.004","10.346","0.003","90","","104.32","0.03","90","","1620.3","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 Sn -","- C16 H16 O6 Sn -","- C64 H64 O24 Sn4 -","4","1","TA1090","Basu Baul, T. S.; Tiekink, E. R. T.","Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin","Acta Crystallographica Section C","1996","52","8","1959","1961","10.1107/S0108270196005057","","","0.7107","MoKα","","0.064","0.064","","0.085","0.085","","","","1.267","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005312","20.992","0.002","6.948","0.001","10.083","0.001","90","","102.15","0.01","90","","1437.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 N8 O5 S -","- C8 H16 N8 O5 S -","- C32 H64 N32 O20 S4 -","4","1","VJ1008","Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.","Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1996","52","8","2020","2022","10.1107/S0108270195009656","","","1.5418","CuKα","","0.0568","0.0549","","0.1631","0.1514","","","","1.087","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005313","9.5704","0.0009","13.364","0.002","8.748","0.002","90","","108.83","0.01","90","","1059","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron","7-Iodo-8-hydroxyquinoline-5-sulfonic Acid","","- C9 H6 I N O4 S -","- C9 H6 I N O4 S -","- C36 H24 I4 N4 O16 S4 -","4","1","VJ1024","Balasubramanian, T.; Muthiah, P. T.","Hydrogen-Bonding Patterns in Substituted Oxines. Redetermination of 8-Hydroxy-7-iodoquinoline-5-sulfonic Acid","Acta Crystallographica Section C","1996","52","8","2072","2073","10.1107/S0108270195010286","","","0.71073","MoKα","","0.0398","0.0298","","0.0743","0.0689","","","","1.077","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005314","5.84","0.003","8.063","0.006","12.923","0.007","90","","101.74","0.06","90","","595.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside","","- C10 H18 O8 -","- C10 H18 O8 -","- C20 H36 O16 -","2","1","AB1291","Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.","Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside","Acta Crystallographica Section C","1996","52","9","2285","2287","10.1107/S0108270196003411","","","1.54184","CuKα","","0.0817","0.0562","","0.16","0.1411","","","","1.072","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005315","5.6286","0.0007","10.257","0.001","12.0111","0.0005","100.924","0.007","100.118","0.006","101.45","0.01","650.72","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O5 -","- C13 H11.55 N2 O5 -","- C26 H23.1 N4 O10 -","2","1","AB1339","Vencato, I.; Gallardo, H.; Meyer, E.","4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate","Acta Crystallographica Section C","1996","52","9","2301","2303","10.1107/S0108270196004039","","","0.71073","MoKα","","0.0548","0.0417","","0.1421","0.123","","","","1.083","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005316","10.898","0.0013","7.6993","0.0006","20.713","0.002","90","","103.971","0.008","90","","1686.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","meta-diphenylcarborane","1,7-diphenyl-1,7-dicarbadodecaborane","","- C14 H20 B10 -","- C14 H20 B10 -","- C56 H80 B40 -","4","1","AB1346","Rosair, G. M.; Welch, A. J.; Weller, A. S.","Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2221","2222","10.1107/S0108270196002107","","","0.71073","MoKα","","0.0945","0.0601","","0.2465","0.1477","","","","1.02","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005317","9.673","0.001","20.021","0.002","10.571","0.002","90","","90.89","0.01","90","","2047","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B10 P -","- C14 H29 B10 P -","- C56 H116 B40 P4 -","4","1","AB1350","Sillanpää, R.; Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diisopropylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2223","2225","10.1107/S0108270196004349","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.626","1.626","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005318","8.999","0.001","18.174","0.002","7.857","0.001","90","","109.86","0.01","90","","1208.6","0.3","290","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 Cu N4 O2 -","- C20 H44 Cl2 Cu N4 O2 -","- C40 H88 Cl4 Cu2 N8 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.026","","","0.021","","","","","2.67","2.67","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005319","9.376","0.001","16.042","0.001","8.177","0.002","90","","102.51","0.01","90","","1200.7","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N4 Ni O2 -","- C20 H44 Cl2 N4 Ni O2 -","- C40 H88 Cl4 N8 Ni2 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.039","","","0.024","","","","","1.45","1.45","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005320","9.748","0.002","19.08","0.003","9.955","0.002","90","","109.14","0.01","90","","1749.2","0.6","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F8 -","- C20 H10 F8 -","- C80 H40 F32 -","4","1","BK1151","Swenson, D. C.; Morken, P. A.; Burton, D. J.","C~20~H~10~F~8~, a Divinyl Acetylene","Acta Crystallographica Section C","1996","52","9","2349","2351","10.1107/S0108270196004441","","","1.54184","CuKα","","0.078","0.05","","","0.076","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005321","41.121","0.002","7.039","0.002","7.085","0.002","90","","94.9","0.01","90","","2043.3","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.044","","","0.056","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005322","41.065","0.003","6.965","0.003","7.051","0.003","90","","94.83","0.02","90","","2009.5","1.2","203","","203","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.039","","","0.049","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005323","18.244","0.006","5.403","0.002","24.48","0.008","90","","106.94","0.05","90","","2308.3","1.5","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-tri-O-benzyl-myo-inositol","","- C27 H30 O6 -","- C27 H28 O6 -","- C108 H112 O24 -","4","1","BK1230","Graingeot, V.; Brigando, C.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section C","1996","52","9","2283","2285","10.1107/S0108270196004684","","","0.71073","MoKα","","","0.048","","","0.06","","","","","2.1","2.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005324","18.13","0.006","12.194","0.004","8.461","0.003","90","","108.82","0.03","90","","1770.5","1.1","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3,5-(o-tolyl)-1,2-dithia-4-azolylium hexafluoroarsenate(V)","","- C16 H14 As F6 N S2 -","- C16 H14 As F6 N S2 -","- C64 H56 As4 F24 N4 S8 -","4","0.5","BK1238","Clegg, W.; Elsegood, M. R. J.; Banister, A. J.; Hibbert, T. G.","The AsF~6~^{-^} Salt of a 1,2-Dithia-4-azolylium Cation with Sterically Demanding Substituents","Acta Crystallographica Section C","1996","52","9","2148","2150","10.1107/S010827019600563X","","","0.71073","MoKα","","0.0417","0.0362","","0.0971","0.094","","","","1.091","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005325","8.785","0.004","15.306","0.007","14.573","0.003","90","","97","0.03","90","","1944.9","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl2 N3 O3 -","- C22 H12 Cl2 N3 O4 -","- C88 H48 Cl8 N12 O16 -","4","1","BM1017","Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P.","The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ)","Acta Crystallographica Section C","1996","52","9","2274","2277","10.1107/S0108270196002375","","","0.71073","MoKα","","","0.0614","","","0.064","","","","","1.588","1.588","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005326","9.543","0.004","10.279","0.001","12.231","0.005","90","","90","","90","","1199.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-β-D-ribofuranosyl)-5,6,7-1H- cyclopentapyridine-2-one","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C48 H68 N12 O16 -","4","1","BM1048","Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D.","4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one","Acta Crystallographica Section C","1996","52","9","2332","2334","10.1107/S0108270196002582","","","0.71073","MoKα","","0.059","0.0493","","0.1124","0.1103","","","","0.969","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005327","14.293","0.001","5.98","0.001","21.66","0.002","90","","106.58","0.04","90","","1774.4","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 Ni O S -","- C25 H9 N2 Ni O S -","- C100 H36 N8 Ni4 O4 S4 -","4","1","BM1052","Tahir, M. N.; Ülkü, D.; Atakol, O.; Kenar, A.","(Cyclohexylamine-<i>N</i>){2-[(2-thiophenyl)iminomethyl]phenolato-<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)","Acta Crystallographica Section C","1996","52","9","2178","2180","10.1107/S0108270196006130","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005328","6.93","0.004","9.597","0.006","10.169","0.007","80.1","0.03","89.94","0.06","73.22","0.02","637","0.7","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","BM1059","Hussain, M. S.; Ul-Haque, M.","<i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine","Acta Crystallographica Section C","1996","52","9","2343","2345","10.1107/S0108270196003332","","","0.71073","MoKα","","","0.038","","","0.045","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005329","19.685","0.001","11.023","0.002","8.881","0.003","90","0.2","98.4","0.3","90","0.3","1906.4","1.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C92 H72 Cl4 N12 O4 -","4","1","BM1067","Baouid, A.; Hasnaoui, A.; Benharref, A.; Giorgi, M.; Pierrot, M.","1-(4-Chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","9","2281","2282","10.1107/S0108270196004003","","","0.71073","Mo-Kα","","0.09","0.045","","","0.056","","","","","1.941","1.941","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2005330","7.326","0.001","12.868","0.001","14.098","0.001","90","","94.49","0.01","90","","1325","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-aminoethyl)piperaziniumtetrachloroindium(III)","","- C6 H16 Cl4 In N3 -","- C6 H16 Cl4 In N3 -","- C24 H64 Cl16 In4 N12 -","4","1","BM1077","Chippindale, A. M.; Brech, S. J.; Cowley, A. R.; Chernega, A. N.","[<i>N</i>-(2-Amino-κ<i>N</i>-ethyl)piperaziniumyl-<i>N</i>^1^]tetrachloroindium(III)","Acta Crystallographica Section C","1996","52","9","2180","2183","10.1107/S0108270196006002","","","0.71073","MoKα","","","0.0211","","","0.0206","","","","","1.1659","1.1659","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005331","11.609","0.008","5.717","0.003","15.293","0.008","90","","92.63","0.05","90","","1013.9","1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","BM1078","Kumar, N.; Mukherjee, S.; Parmar, V. S.; Errington, W.","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","9","2294","2296","10.1107/S010827019600491X","","","0.71073","MoKα","","0.0588","0.0501","","0.1532","0.1398","","","","1.041","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005332","9.686","0.003","17.512","0.004","15.47","0.005","90","","96.35","0.02","90","","2607.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Mo N4 S7 -","- C15 H30 Mo N4 S7 -","- C60 H120 Mo4 N16 S28 -","4","1","BM1082","Coffey, T. A.; Forster, G. D.; Hogarth, G.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')(thionitrosyl-<i>N</i>)molybdenum(III), [Mo(η^2^-S~2~CNEt~2~)~3~(NS)]","Acta Crystallographica Section C","1996","52","9","2157","2159","10.1107/S010827019600707X","","","0.71073","MoKα","","0.0623","0.041","","0.1033","0.0858","","","","0.979","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005333","5.364","0.008","12.148","0.009","7.922","0.004","90","","108.87","0.06","90","","488.5","0.9","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trilanthanum Trichloride Pyrosilicate","","- Cl3 La3 O7 Si2 -","- Cl3 La3 O7 Si2 -","- Cl6 La6 O14 Si4 -","2","1","BR1087","Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E.","La~3~(Si~2~O~7~)Cl~3~","Acta Crystallographica Section C","1996","52","9","2123","2125","10.1107/S010827019501506X","","","0.71073","MoKα","","","0.0605","","","0.0918","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005334","13.377","0.004","5.589","0.004","10.983","0.003","90","","100.61","0.02","90","","807.1","0.7","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetra Neodymium bis-Pyrosilicate Penta Vanadium Octa Oxygen","","- Nd4 O22 Si4 V5 -","- Nd4 O22 Si4 V5 -","- Nd8 O44 Si8 V10 -","2","0.25","BR1112","Chen, J.-T.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Nd~4~V~5~Si~4~O~22~","Acta Crystallographica Section C","1996","52","9","2125","2127","10.1107/S0108270195015058","","","0.71073","MoKα","","","0.0463","","","0.0585","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005335","13.4121","0.0001","13.6816","0.0001","13.8558","0.0001","90","","90","","90","","2542.53","0.03","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cd O12 Rb2 Si5 -","- Cd O12 Rb2 Si5 -","- Cd8 O96 Rb16 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.40285","synchrotron","","","0.073","","","0.165","","","","","0.903","0.903","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005336","13.6878","0.0003","13.7931","0.0003","13.7575","0.0003","90","","90","","90","","2597.38","0.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mn O12 Si5 -","- Cs2 Mn O12 Si5 -","- Cs16 Mn8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.29969","synchrotron","","","0.126","","","0.14","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005337","13.6487","0.0004","13.712","0.0004","13.6828","0.0004","90","","90","","90","","2560.75","0.13","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Co Cs2 O12 Si5 -","- Co Cs2 O12 Si5 -","- Co8 Cs16 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.30138","synchrotron","","","0.059","","","0.128","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005338","13.6147","0.0003","13.6568","0.0005","13.6583","0.0005","90","","90","","90","","2539.53","0.14","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Ni O12 Si5 -","- Cs2 Ni O12 Si5 -","- Cs16 Ni8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","0.9982","synchrotron","","","0.057","","","0.091","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005339","23.608","0.008","6.825","0.009","5.4908","0.0013","90","","90","","90","","884.7","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Caesium Chloride - di caesium - bis(tellurium di vanadium heptaoxide)","","- Cl Cs3 O14 Te2 V4 -","- Cl Cs3 O14 Te2 V4 -","- Cl2 Cs6 O28 Te4 V8 -","2","0.25","BR1139","Marrot, J.; Savariault, J.-M.","Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide","Acta Crystallographica Section C","1996","52","9","2129","2132","10.1107/S0108270196003198","","","0.71069","MoKα","","0.0422","0.0407","","0.1011","0.1001","","","","1.196","1.199","1.199","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005340","5.33","0.02","9.6","0.05","7.18","0.05","90","","105.16","0.01","90","","355","3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Deuterated copper flurosilicate tetrahydrate","","- Cu D8 F6 O4 Si -","- Cu D8 F6 O4 Si -","- Cu2 D16 F12 O8 Si2 -","2","0.5","BR1141","Chevrier, G.; Goukassov, A.","The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study","Acta Crystallographica Section C","1996","52","9","2121","2123","10.1107/S0108270196003927","","neutron","1.52","neutron","","","0.0647","","","0.0465","","","","","5.713","5.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005341","10.128","0.002","3.5707","0.0006","9.868","0.002","90","","90","","90","","356.87","0.12","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","hafniumphoshide","Trihafniumdiphosphide","","- Hf3 P2 -","- Hf3 P2 -","- Hf12 P8 -","4","0.5","BR1144","Kleinke, H.; Franzen, H. F.","The Binary Hafnium Phosphide Hf~3~P~2~","Acta Crystallographica Section C","1996","52","9","2127","2129","10.1107/S0108270196004969","","","0.71069","MoKα","","0.0428","0.0293","","0.0574","0.0548","","","","1.085","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005342","5.7712","0.0003","10.513","0.001","21.633","0.002","94.09","0.01","90.114","0.006","105.871","0.006","1258.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II).","","- C22 H28 N6 Ni S4 -","- C22 H28 N6 Ni S4 -","- C44 H56 N12 Ni2 S8 -","2","1","CF1065","Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","9","2150","2153","10.1107/S010827019600385X","","","0.71073","MoKα","","0.0546","0.0388","","0.1002","0.0944","","","","0.938","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005343","21.2695","0.001","10.376","0.002","12.054","0.002","90","","117.297","0.01","90","","2364","0.6","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(1-(2-pyridyl)-2-(2-thienyl)ethyne-N)-bis(nitrato-O,O')-cobalt(II)","","- C22 H14 Co N4 O6 S2 -","- C22 H14 Co N4 O6 S2 -","- C88 H56 Co4 N16 O24 S8 -","4","0.5","CF1076","Kooijman, H.; Spek, A. L.; Neenan, T. X.; Driessen, W. L.","Bis(nitrato-<i>O</i>,<i>O</i>')bis{2-[2-(2-thienyl)ethynyl]pyridine-<i>N</i>}cobalt(II)","Acta Crystallographica Section C","1996","52","9","2191","2193","10.1107/S0108270196005008","","","0.71073","MoKα","","","0.0697","","0.1725","0.1725","","","","0.977","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005344","5.618","0.004","7.995","0.004","13.428","0.006","77.85","0.04","85.55","0.06","80.46","0.04","580.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","rel-(1S, 4R, 7R, 9S)-tetracyclo[5.4.1.0^4,12^.0^9,12^]dodec-10- enylacetic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","CF1078","Wang, J.; Thommen, M.; Keese, R.","A Substituted <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrene","Acta Crystallographica Section C","1996","52","9","2311","2313","10.1107/S0108270196003861","","","0.71073","MoKα","","0.0639","0.0419","","0.1181","0.1029","","","","1.029","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005345","13.44","0.009","7.205","0.009","22.388","0.009","90","","92.36","0.01","90","","2166","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(η^5-trimethylsilylcyclopentadienyl)-diiodo-titanium(IV)","","- C16 H26 I2 Si2 Ti -","- C16 H26 I2 Si2 Ti -","- C64 H104 I8 Si8 Ti4 -","4","0.5","CF1088","Drew, M. G. B.; Delgado, E.; Hernandez, E.; Baker, P. K.; Mansilla, N.","Diiodobis(η^5^-trimethylsilylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","1996","52","9","2168","2170","10.1107/S0108270196006221","","","0.7107","MoKα","","0.1449","0.0653","","0.2789","0.1948","","","","0.609","0.563","0.563","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005346","13.272","0.002","9.2251","0.001","17.2566","0.001","90","0.06","90.39","0.01","90","0.06","2112.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,10-dichloro-6-(2,4 dimethyl phenoxy)-dibenzo [d,g][1,3,6,2] dioxathiaphosphocin-6-oxide.","","- C20 H15 Cl2 O3 P S2 -","- C20 H15 Cl2 O3 P S2 -","- C80 H60 Cl8 O12 P4 S8 -","4","1","DE1030","Krishnaiah, M.; Kumar, N. J.; Narasaiah, T. V.; Reddy, B. S.; Reddy, C. D.","2,10-Dichloro-6-(2,4-dimethylphenoxy)dibenzo[<i>d</i>,<i>g</i>][1,3,6,2]dioxathiaphosphocine 6-Sulfide","Acta Crystallographica Section C","1996","52","9","2298","2301","10.1107/S0108270196004908","","","0.71069","MoKα","","0.0387","0.0359","","0.085","0.083","","","","1.095","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005347","8.407","0.002","9.181","0.002","10.95","0.003","69.03","0.01","68.57","0.02","77.71","0.01","731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","","- C6 H24 N2 O9 P2 -","- C6 H24 N2 O9 P2 -","- C12 H48 N4 O18 P4 -","2","1","DU1151","Gharbi, A.; Charfi, M.; Jouini, A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","Acta Crystallographica Section C","1996","52","9","2246","2248","10.1107/S0108270196003356","","","0.71069","MoKα","","0.033","0.0277","","0.0786","0.0754","","","","1.051","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005348","8.243","0.002","9.079","0.001","12.039","0.001","92.93","0.01","93.31","0.01","104.466","0.008","869","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,4-butanediyldiammonium) bis(cyclotriphosphate) tetrahydrate ?","","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","1","0.5","DU1152","Thabet, H.; Jouini, A.","Tris(1,4-butanediyldiammonium) Bis(cyclotriphosphate) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2248","2250","10.1107/S0108270196002922","","","0.71069","MoKα","","0.0297","0.0263","","0.0766","0.0745","","","","1.076","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005349","11.085","0.003","11.678","0.004","8.995","0.004","112.98","0.03","87.85","0.03","104.9","0.02","1033.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,6-Diammoniumhexane cyclohexaphosphate hexahydrate","","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","1","0.5","DU1153","Charfi, M.; Jouini, A.","1,6-Hexanediammonium <i>cyclo</i>-Hexaphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","9","2250","2253","10.1107/S0108270196003344","","","0.71069","MoKα","","0.0432","0.0282","","0.0954","0.0709","","","","0.955","0.778","0.778","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005350","29.282","0.006","12.478","0.002","14.476","0.003","90","","107.43","0.03","90","","5046.4","1.9","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[{di-μ-nitrato-1:2κ^4^O-bis[(triphenylphosphine-P)copper(I)]}- μ-4,4'-bipyridyl-μ] Tetrahydrofuran Solvate","","- C27 H27 Cu N2 O4 P -","- C27 H27 Cu N2 O4 P -","- C216 H216 Cu8 N16 O32 P8 -","8","1","FG1111","Prest, P.-J.; Moore, J. S.","<i>catena</i>-Poly[{di-μ-nitrato-1:2κ^4^<i>O</i>-bis[(triphenylphosphine-<i>P</i>)copper(I)]}-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>'] Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","9","2176","2178","10.1107/S0108270196006087","","","0.71073","MoKα","","0.0662","0.0379","","0.1042","0.0907","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005351","13.314","0.008","9.983","0.005","13.45","0.007","90","","117.63","0.02","90","","1583.8","1.5","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ?","","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C60 H86 Cl6 Fe4 N4 O2 Pt2 S2 -","2","1","FG1112","Robinson, B. H.; Simpson, J.; Wilson, D. J.","1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)","Acta Crystallographica Section C","1996","52","9","2196","2198","10.1107/S0108270196004118","","","0.71073","MoKα","","0.0621","0.0489","","0.1097","0.106","","","","0.941","1.024","1.024","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005352","9.9019","0.0014","12.2972","0.0015","8.9716","0.0012","108.28","0.02","110.66","0.02","86.16","0.02","969.4","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","[1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II)","","- C12 H16 Cu F12 N2 O3 -","- C12 H16 Cu F12 N2 O3 -","- C24 H32 Cu2 F24 N4 O6 -","2","2","FG1118","Hynes, R. C.; Willis, C. J.; Payne, N. C.","A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]","Acta Crystallographica Section C","1996","52","9","2173","2176","10.1107/S0108270196005811","","","0.71073","MoKα","","0.0552","0.0401","","0.1022","0.0936","","","","1.035","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005353","7.275","0.001","9.002","0.002","19.503","0.004","90","","100.61","0.01","90","","1255.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ALENDRONATE","Monosodium 4-amino-1-hydroxy-1,1'-bisphosphonate, trihydrate (Alendronate)","","- C4 H18 N Na O10 P2 -","- C4 H18 N Na O10 P2 -","- C16 H72 N4 Na4 O40 P8 -","4","1","FG1158","Vega, D.; Baggio, R.; Garland, M. T.","Monosodium 4-Amino-1-hydroxy-1,1-butanediyldiphosphonate Trihydrate (Alendronate)","Acta Crystallographica Section C","1996","52","9","2198","2201","10.1107/S0108270196006105","","","0.71073","MoKα","","0.0316","0.0284","","0.0828","0.0744","","","","1.114","1.134","1.134","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005354","20.154","0.005","3.843","0.001","11.787","0.003","90","","90","","90","","912.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2-Carboxy-4,5-benzotropone","2-Carboxy-4,5-benzocycloheptatrienone","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0647","0.0531","","0.1229","0.1185","","","","0.985","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005355","7.191","0.007","9.912","0.005","14.43","0.009","90","","95.53","0.05","90","","1023.7","1.3","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,7-Dicarboxy-4,5-benzotropone","2,7-Dicarboxy-4,5-benzocycloheptatrienone","","- C13 H8 O5 -","- C13 H8 O5 -","- C52 H32 O20 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0739","0.0544","","0.134","0.1252","","","","0.939","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005356","9.9062","0.001","9.838","0.001","24.061","0.003","90","","90","","90","","2344.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cyclophosphamide","N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide","","- C7 H15 Cl2 N2 O2 P -","- C7 H15 Cl2 N2 O2 P -","- C56 H120 Cl16 N16 O16 P8 -","8","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0513","0.0351","","0.0901","0.0839","","","","0.971","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005357","10.58","0.002","10.021","0.002","10.779","0.002","90","","118.95","0.02","90","","1000","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-chloroethyl)tetrahydro-1H,5H- [1.3.2]diazaphospholo[2.1-b][1.3.2]oxazaphosphorine 9-oxide","","- C7 H14 Cl N2 O2 P -","- C7 H14 Cl N2 O2 P -","- C28 H56 Cl4 N8 O8 P4 -","4","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0293","0.0278","","0.0753","0.0732","","","","1.077","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005358","8.956","0.002","10.322","0.002","5.905","0.002","101.04","0.02","95.46","0.02","68.42","0.02","498","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","Acetone 4,4-Dimethyl-2-pyrazoline-5-one-3ylhydrazone","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C16 H28 N8 O2 -","2","1","FG1180","Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D.","Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone","Acta Crystallographica Section C","1996","52","9","2367","2370","10.1107/S0108270196004428","","","0.71069","MoKα","","","0.045","","","0.052","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005359","12.298","0.001","15.685","0.002","27.851","0.004","90","","100.51","0.01","90","","5282.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis[1,2-bis-(diphenylphosphino)ethane]osmium(II) Hexafluorophosphate Dichoromethane Solvate","","- C53.5 H51 Cl4 F6 Os P5 -","- C53.5 H51 Cl4 F6 Os P5 -","- C214 H204 Cl16 F24 Os4 P20 -","4","1","FG1187","Lough, A. J.; Morris, R. H.; Schlaf, M.","Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']chloroosmium(II) Hexafluorophosphate Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","9","2193","2196","10.1107/S0108270196006208","","","0.71073","MoKα","","0.0577","0.034","","0.0797","0.0697","","","","1.042","1.054","1.054","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005360","14.153","0.006","14.054","0.004","17.959","0.004","90","","102.9","0.02","90","","3482","2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 1,1'-o-Xylylene-bis[3,5-dimethyl-hexahydro- s-triazine-2,4(1H,3H)-dione-6-spiro-9''-fluorene]","","- C42 H36 N6 O4 -","- C42 H36 N6 O4 -","- C168 H144 N24 O16 -","4","1","FG1188","Robinson, P. D.; Gong, Y.; Bausch, M. J.","Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section C","1996","52","9","2337","2340","10.1107/S010827019600621X","","","0.71069","MoKα","","","0.063","","","0.056","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005361","9.969","0.002","15.883","0.001","19.369","0.002","90","","95.2","0.01","90","","3054.2","0.7","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 O -","- C42 H30 O -","- C168 H120 O4 -","4","1","FG1189","Fu, T. Y.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","9,10,12,14-Tetrahydro-12,12,14,14-tetraphenyl-9,10[3',4']-furanoanthracene","Acta Crystallographica Section C","1996","52","9","2347","2349","10.1107/S0108270196006245","","","1.5418","CuKα","","","0.039","","","0.035","","","","","1.85","1.85","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005362","11.798","0.003","10.259","0.003","13.326","0.004","90","","92.38","0.07","90","","1611.5","0.8","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7.5 H22.5 Cl0.5 Mo2 O9.5 -","- C7.51 H22.53 Cl0.49 Mo2 O9.51 -","- C30.04 H90.12 Cl1.96 Mo8 O38.04 -","4","1","FG1191","Clegg, W.; Elsegood, M. R. J.; Errington, R. J.; Bakri, R.","A 3:1 Disordered Solid Solution of Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[trimethoxooxomolybdenum(VI)] and Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[chlorodimethoxooxomolybdenum(VI)]","Acta Crystallographica Section C","1996","52","9","2145","2148","10.1107/S0108270196006257","","","0.71073","MoKα","","0.0394","0.0303","","0.0783","0.071","","","","1.122","1.125","1.125","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005363","9.743","0.002","11.574","0.002","12.184","0.002","79.89","0.02","69.17","0.02","81.32","0.02","1258.3","0.4","276","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl Ni P S -","- C34 H19 Cl Ni P S -","- C68 H38 Cl2 Ni2 P2 S2 -","2","1","HA1150","Darkwa, J.; Milius, W.","(4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","1996","52","9","2159","2161","10.1107/S0108270196005896","","","0.71073","MoKα","","","0.0696","","","0.037","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005364","9.013","0.003","7.055","0.004","18.118","0.002","90","","98.51","0.02","90","","1139.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-saccharinperethanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-perethanoic acid monohydrate","","- C9 H9 N O7 S -","- C9 H6 N O7 S -","- C36 H24 N4 O28 S4 -","4","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71069","MoKα","","0.0634","0.0466","","0.134","0.1222","","","","1.046","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005365","8.412","0.003","9.19","0.003","10.88","0.006","66.74","0.03","88.86","0.03","64.67","0.03","687.1","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","5-saccharinpentanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-pentanoic acid 1,1-dioxide monohydrate","","- C12 H15 N O6 S -","- C12 H12 N O6 S -","- C24 H24 N2 O12 S2 -","2","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71073","MoKα","","0.0627","0.0455","","0.1473","0.1344","","","","1.121","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005366","8.248","0.003","9.593","0.003","10.943","0.003","90","","99.48","0.01","90","","854","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","HA1159","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton","Acta Crystallographica Section C","1996","52","9","2292","2294","10.1107/S0108270196004696","","","0.71073","MoKα","","0.0623","0.044","","0.1134","0.1019","","","","1.062","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005367","20.345","0.003","10.316","0.002","6.482","0.001","90","","90","","90","","1360.4","0.4","295.2","","295.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Br2 N O2 -","- C11.5 H13.5 Br2 N0.5 O2 -","- C46 H54 Br8 N2 O8 -","4","0.5","HA1163","Beddoes, R. L.; Zhao, Y.; Joule, J. A.","3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene","Acta Crystallographica Section C","1996","52","9","2313","2315","10.1107/S0108270196007950","","","0.7107","MoKα","","0.1223","0.0371","","0.0313","0.0245","","","","1.271","1.477","1.477","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005368","11.378","0.002","7.124","0.001","11.585","0.002","90","","101.7","0.8","90","","920","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O3 -","- C20 H25 Co N2 O3 -","- C40 H50 Co2 N4 O6 -","2","1","HU1052","Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W.","Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III)","Acta Crystallographica Section C","1996","52","9","2204","2206","10.1107/S0108270196009134","","","0.71073","MoKα","","","0.053","","","0.067","","","","","1.24","1.24","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2005369","10.6713","0.0007","6.6936","0.0006","21.0352","0.0007","90","","100.776","0.004","90","","1476.04","0.17","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isopropylamidine hydrochloride","Isopropylamidine hydrochloride","","- C4 H11 Cl N2 -","- C4 H11 Cl N2 -","- C32 H88 Cl8 N16 -","8","2","HU1140","Barker, J.; Powell, H. R.","Isopropylamidinium Chloride","Acta Crystallographica Section C","1996","52","9","2307","2309","10.1107/S0108270196002843","","","1.5418","CopperKα","","","0.0368","","","0.0443","","","","","4.976","4.976","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005370","6.806","0.001","8.166","0.001","15.568","0.002","100.69","0.01","94.99","0.02","103.29","0.01","819.8","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","JZ1117","Beck, H.; Egert, E.","A Dihydrooxazinone","Acta Crystallographica Section C","1996","52","9","2253","2254","10.1107/S0108270196003873","","","0.71073","MoKα","","","0.067","","","0.057","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005371","13.734","0.002","8.281","0.001","6.53","0.001","90","","90","","90","","742.67","0.18","293","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","0.5","JZ1118","Schormann, N.; Egert, E.","A Fully Cyclo-Substituted Cyclohexane","Acta Crystallographica Section C","1996","52","9","2254","2256","10.1107/S0108270196003885","","","0.71073","MoKα","","","0.049","","","0.056","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005372","13.651","0.001","23.91","0.003","27.883","0.002","90","","102.44","0.01","90","","8887.2","1.5","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Co2 Mo2 O22 P6 -","- C26 H46 Co2 Mo2 O22 P6 -","- C208 H368 Co16 Mo16 O176 P48 -","8","2","JZ1119","Herbst-Irmer, R.; Egert, E.","An Mo~2~(CO)~4~ (Mo[tripleMo) Fragment Stabilized by a Tripod Ligand","Acta Crystallographica Section C","1996","52","9","2161","2164","10.1107/S0108270196004076","","","0.71073","MoKα","","","0.042","","","0.049","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005373","7.577","0.001","22.058","0.003","15.098","0.002","90","","90","","90","","2523.4","0.6","293","1","293","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","trans-dichlorotetra(pyridine)molybdenum(III) tribromide","","- C20 H20 Br3 Cl2 Mo N4 -","- C20 H20 Br3 Cl2 Mo N4 -","- C80 H80 Br12 Cl8 Mo4 N16 -","4","0.5","JZ1125","Rotar, R.; Leban, I.; Brenčič, J. V.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide","Acta Crystallographica Section C","1996","52","9","2155","2157","10.1107/S0108270196005628","","","0.71073","MoKα","","0.119","0.0525","","0.1327","0.1052","","","","1.024","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005374","6.283","0.001","22.113","0.002","9.691","0.002","90","","91.1","0.01","90","","1346.2","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-2,2,5,5-Tetramethyl-3,4-di[4-(tribromomethyl)phenyl]hex-3-ene","","- C24 H26 Br6 -","- C30 H44 Br6 -","- C60 H88 Br12 -","2","0.5","KA1154","Gano, J. E.; Kirschbaum, K.; Sekher, P.","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-bis[4-(tribromomethyl)phenyl]hex-3-ene","Acta Crystallographica Section C","1996","52","9","2334","2337","10.1107/S0108270196001576","","","0.71073","Mo-Kα","","0.181","0.056","","","0.061","","","","","1.732","1.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005375","6.419","0.001","13.34","0.002","24.701","0.002","90","","90","","90","","2115.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","KA1161","Noltemeyer, M.; Raschke, T.; Tietze, L. F.","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section C","1996","52","9","2256","2258","10.1107/S0108270196004167","","","0.71073","MoKα","","0.0356","0.032","","0.0818","0.0776","","","","1.066","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005376","17.172","0.004","17.172","0.004","14.965","0.009","90","","90","","120","","3822","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","Diester of 16α-hydroxy-prednisolone","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione monohydrate","","- C26 H36 O9 -","- C26 H36 O9 -","- C156 H216 O54 -","6","1","KA1173","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate","Acta Crystallographica Section C","1996","52","9","2288","2290","10.1107/S0108270196002533","","","1.54178","CuKα","","0.095","0.058","","0.1678","0.1477","","","","1.005","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005377","6.8302","0.0008","12.164","0.001","23.846","0.004","90","","90","","90","","1981.2","0.4","295","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","KA1177","Steiner, Th.","17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)","Acta Crystallographica Section C","1996","52","9","2261","2263","10.1107/S0108270196002417","","","1.54184","CuKα","","","0.059","","","0.156","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005378","8.55","0.001","12.189","0.001","20.979","0.002","90","","90","","90","","2186.3","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","16β-fluoro-17aβ-(4-nitroanilino)-3-methoxy-D-homoestra-1,3,5(10)-triene","","- C26 H31 F N2 O3 -","- C26 H31 F N2 O3 -","- C104 H124 F4 N8 O12 -","4","1","KA1183","Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G.","A Fluorinated <small>D</small>-Homoestrone Derivative","Acta Crystallographica Section C","1996","52","9","2258","2259","10.1107/S0108270196003897","","","0.71073","MoKα","","0.0591","0.0459","","0.1065","0.0967","","","","1.073","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005379","14.868","0.005","11.953","0.002","20.403","0.006","90","","90","","90","","3626","1.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triphenylpropargylphosphonium bromide","","- C21 H18 Br P -","- C21 H18 Br P -","- C168 H144 Br8 P8 -","8","2","KA1184","Steiner, Th.","Triphenylpropargylphosphonium Bromide","Acta Crystallographica Section C","1996","52","9","2263","2266","10.1107/S0108270196004490","","","1.54176","CuKα","","0.0405","0.0295","","0.0827","0.068","","","","1.045","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005380","16.233","0.002","17.313","0.002","13.3","0.001","90","","90","","90","","3737.9","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Hydroxy-3-diethylphosphono-5-tert-butyl-phenyl)-bis-(diphenylphosphinyl)- methane","","- C39 H45 O7 P3 -","- C39 H45 O7 P3 -","- C156 H180 O28 P12 -","4","1","KA1188","Ramm, M.; Costisella, B.","Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K","Acta Crystallographica Section C","1996","52","9","2305","2307","10.1107/S0108270196003903","","","1.54178","CuKα","","","0.044","","","0.059","","","","","2.274","2.274","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005381","4.8701","0.0002","11.046","0.001","23.877","0.004","90","","90","","90","","1284.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gly-His hydrochloride dihydrate","Glycyl-L-histidinium Chloride dihydrate","","- C8 H17 Cl N4 O5 -","- C8 H17 Cl N4 O5 -","- C32 H68 Cl4 N16 O20 -","4","1","KA1193","Steiner, Th.","Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation","Acta Crystallographica Section C","1996","52","9","2266","2269","10.1107/S0108270196004556","","","1.54176","CuKα","","0.0445","0.0383","","0.1357","0.0966","","","","1.095","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005382","9.1259","0.0008","21.802","0.001","9.0555","0.0009","90","","102.85","0.008","90","","1756.6","0.3","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KH1085","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 338","Acta Crystallographica Section C","1996","52","9","2363","2365","10.1107/S0108270196004362","","","1.54184","CuKα","","","0.052","","","0.087","","","","","2.3","2.3","","","","","has coordinates,has disorder","206251","2020-10-21","18:00:00",""
"2005383","9.552","0.004","9.552","0.004","36.413","0.009","90","","90","","90","","3322","2","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H23 N4 O6.5 -","- C15 H21 N4 O6.5 -","- C120 H168 N32 O52 -","8","1","KH1092","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O","Acta Crystallographica Section C","1996","52","9","2365","2367","10.1107/S0108270196004350","","","1.54184","CuKα","","","0.055","","","0.067","","","","","2.33","2.33","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2005384","8.707","0.001","12.106","0.002","14.704","0.004","92.03","0.01","91.55","0.01","96.86","0.01","1537.1","0.5","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","LI1143","Zukerman-Schpector, J.; Caracelli, I.; Silva, Jnr, F.; Brocksom, T. J.","Structures of the Diels‒Alder Reaction Products of Thymoquinone and 1-Vinylcyclohexene. III. 5-Isopropyl-2-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~","Acta Crystallographica Section C","1996","52","9","2354","2356","10.1107/S0108270196004210","","","0.71073","MoKα","","0.2065","0.0609","","0.1919","0.1273","","","","1.026","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005385","15.2841","0.0011","8.3869","0.0013","28.3216","0.0009","90","","102.104","0.014","90","","3549.7","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] ether.","","- C40 H46 O7 -","- C40 H46 O7 -","- C160 H184 O28 -","4","1","LI1146","Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A.","Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether","Acta Crystallographica Section C","1996","52","9","2296","2298","10.1107/S0108270196004088","","","0.71069","MoKα","","0.0785","0.0449","","0.1066","0.0967","","","","0.822","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005386","15.89","0.002","12.264","0.002","9.147","0.002","90","","93.9","0.02","90","","1778.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2(2-hydroxy-5,5-dimethylcyclohexan-1,3-dione)-5,5-dimethylcyclo- hexan-1,3-dionato caesium monohydrate","","- C16 H23 Cs O6 -","- C16 H22 Cs O6 -","- C64 H88 Cs4 O24 -","4","1","LI1149","Barnes, J. C.","Caesium 2-(2-Hydroxy-5,5-dimethyl-1,3-dioxo-2-cyclohexyl)-5,5-dimethyl-1,3-cyclohexanedionato(1‒) Monohydrate","Acta Crystallographica Section C","1996","52","9","2185","2188","10.1107/S0108270196007342","","","0.71069","MoKα","","0.0537","0.0505","","0.1303","0.1284","","","","1.071","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005387","9.092","0.001","9.849","0.001","10.428","0.001","68.9","0.01","69.39","0.01","72.67","0.01","799.62","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-methyl-2-(4-methylphenyl)-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C38 H28 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0628","0.0457","","0.1446","0.1352","","","","1.045","1.177","1.177","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005388","7.916","0.007","8.454","0.006","12.838","0.009","73.64","0.02","87.62","0.06","70.08","0.07","773.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-difluorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H10 F5 N3 -","- C18 H10 F5 N3 -","- C36 H20 F10 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.1197","0.1027","","0.3248","0.305","","","","1.077","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005389","8.422","0.002","9.042","0.001","12.859","0.003","70.43","0.02","89.09","0.02","62.25","0.01","804.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H11 Cl F3 N3 -","- C18 H11 Cl F3 N3 -","- C36 H22 Cl2 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0546","0.0416","","0.1191","0.1134","","","","1.019","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005390","8.557","0.001","8.954","0.001","12.957","0.001","70.12","0.01","72.27","0.01","63.19","0.01","819.62","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-bromophenyl)-6-methyl-8-trifluoromethylimidazo[1,2,-a][1,8] naphthyridine.","","- C18 H11 Br F3 N3 -","- C18 H11 Br F2.97 N3 -","- C36 H22 Br2 F5.94 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0905","0.0523","","0.1444","0.1331","","","","0.927","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005391","8.041","0.001","13.567","0.001","15.03","0.001","93.52","0.001","97.32","0.001","105.93","0.01","1555.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a]1,8-naphthyridine.","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","2","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.1116","0.0589","","0.1807","0.1521","","","","0.894","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005392","8.435","0.001","7.146","0.001","31.823","0.003","90","","92","0.01","90","","1917","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenyl)-6-methyl-8-phenylimidazo[1,2-a][1,8]naphthyridine.","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.0957","0.0482","","0.1433","0.117","","","","0.899","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005393","9.387","0.001","10.173","0.002","11.698","0.0001","110.36","0.01","91.83","0.01","103.34","0.01","1011.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 -","- C24 H28 N4 -","- C48 H56 N8 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0591","0.0503","","0.1604","0.1526","","","","1.096","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005394","7.358","0.001","10.641","0.001","13.586","0.001","96.55","0.01","95.64","0.01","98.11","0.01","1039.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 O -","- C24 H28 N4 O -","- C48 H56 N8 O2 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0507","0.0383","","0.105","0.1001","","","","0.976","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005395","12.134","0.001","12.833","0.002","15.25","0.002","113.98","0.01","91.33","0.01","105.68","0.01","2064.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-bromophenyl)-1-diethylaminomethyl-6,8-dimethylimidazo[1,2-a][1,8] naphthyridine.","","- C23 H25 Br N4 -","- C23 H25 Br N4 -","- C92 H100 Br4 N16 -","4","2","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.1118","0.058","","0.1829","0.1468","","","","1.029","1.177","1.177","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005396","4.495","0.004","19.982","0.012","7.822","0.004","90","","105.47","0.06","90","","677.1","0.8","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium phosphoglycolate","","- C2 H8 N O6 P -","- C2 H8 N O6 P -","- C8 H32 N4 O24 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0404","0.0274","","0.0821","0.0776","","","","1.097","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005397","17.732","0.006","9.626","0.004","16.628","0.006","90","","93.18","0.03","90","","2833.8","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triammonium bis(phosphoglycolate)","","- C4 H19 N3 O12 P2 -","- C4 H19 N3 O12 P2 -","- C32 H152 N24 O96 P16 -","8","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0606","0.0297","","0.0922","0.0807","","","","1.018","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005398","13.202","0.005","8.072","0.003","13.792","0.005","90","","91.12","0.03","90","","1469.5","0.9","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphoglycolate","","- C2 H11 N2 O6 P -","- C2 H11 N2 O6 P -","- C16 H88 N16 O48 P8 -","8","2","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0433","0.0309","","0.0879","0.0814","","","","1.069","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005399","7.318","0.004","14.086","0.005","9.657","0.004","90","","93.37","0.04","90","","993.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triammonium phosphoglycolate hydrate","","- C2 H16 N3 O7 P -","- C2 H16 N3 O7 P -","- C8 H64 N12 O28 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0773","0.0335","","0.0971","0.0843","","","","1.004","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005400","6.362","0.003","7.512","0.003","17.258","0.008","94.55","0.04","96.81","0.05","104.59","0.04","787.4","0.6","295","","295","","","","","","","","","6","P -1","-P 1","2","","Bis(para-aminobenzoic acid)dichloro cadmium","","- C14 H14 Cd Cl2 N2 O4 -","- C14 H14 Cd Cl2 N2 O4 -","- C28 H28 Cd2 Cl4 N4 O8 -","2","1","MU1252","Le Fur, Y.; Masse, R.","Bis(<i>p</i>-aminobenzoic acid-<i>N</i>)dichlorocadmium(II)","Acta Crystallographica Section C","1996","52","9","2183","2185","10.1107/S0108270196003721","","","0.5608","AgKα","","0.025","0.025","","0.027","0.027","","","","0.81","0.81","0.81","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005401","10.2145","0.0007","8.9516","0.0006","12.5214","0.0008","90","","96.77","0.006","90","","1136.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Dimethyl-Pyridinium bis(6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolato) Cuprate (III)","","- C17 H22 Cu N S8 -","- C17 H22 Cu N S8 -","- C34 H44 Cu2 N2 S16 -","2","0.5","MU1254","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; You, F.; You, X.-Z.","1,4-Dimethylpyridinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato-<i>S</i>,<i>S</i>')cuprate(III)","Acta Crystallographica Section C","1996","52","9","2153","2155","10.1107/S0108270196003757","","","0.71073","MoKα","","0.0591","0.0449","","0.1332","0.1255","","","","0.957","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005402","14.654","0.001","14.385","0.001","15.897","0.001","90","","90","","90","","3351.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(4-chlorophenyl)phosphine.","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0784","0.0402","","0.1053","0.0931","","","","0.881","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005403","12.428","0.001","12.428","0.001","8.753","0.001","90","","90","","120","","1170.82","0.19","293","2","293","2","","","","","","","","4","P 31","P 31","144","","Tris(4-fluorophenyl)phosphine.","","- C18 H12 F3 P -","- C18 H12 F3 P -","- C54 H36 F9 P3 -","3","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0607","0.0359","","0.0791","0.0723","","","","0.907","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005404","21.33","0.001","5.4002","0.0001","26.232","0.002","90","","112.447","0.009","90","","2792.6","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S2 -","- C31 H32 N2 O4 S2 -","- C124 H128 N8 O16 S8 -","4","1","NA1212","Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E.","4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane","Acta Crystallographica Section C","1996","52","9","2303","2305","10.1107/S0108270196002016","","","1.5405","CuKα","","","0.051","","","0.054","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005405","14.467","0.002","7.391","0.004","11.868","0.003","90","","90","","90","","1269","0.8","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Methacryloylcholine iodide","","- C9 H18 I N O2 -","- C9 H18 I N O2 -","- C36 H72 I4 N4 O8 -","4","0.5","NA1215","Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.","Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)","Acta Crystallographica Section C","1996","52","9","2216","2218","10.1107/S0108270196002855","","","0.71073","MoKα","","0.031","0.026","","0.059","0.041","","","","1.378","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005406","11.13","0.004","13.028","0.004","24.74","0.02","90","","90","","90","","3587","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.1638","0.0502","","0.1492","0.1132","","","","1.037","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005407","11.046","0.005","12.7318","0.0008","12.944","0.005","90","","106.68","0.03","90","","1743.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ethanoyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.3249","0.0591","","0.1894","0.1172","","","","0.962","1.232","1.232","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005408","17.242","0.004","15.244","0.003","11.406","0.005","90","","90","","90","","2997.9","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne","","- C26 H48 O2 Si2 -","- C26 H48 O2 Si2 -","- C104 H192 O8 Si8 -","4","0.5","NA1231","Boss, C.; Keese, R.; Förtsch, M.","Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne","Acta Crystallographica Section C","1996","52","9","2370","2372","10.1107/S0108270196004891","","","0.71069","MoKα","","0.1019","0.0435","","0.1454","0.118","","","","1.091","1.206","1.206","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005409","8.6202","0.0003","20.154","0.001","21.0425","0.0009","73.497","0.004","89.067","0.003","79.781","0.004","3447.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","cis-2-sec-Butyl-4-[4-(4-{4-[2-(2,4-dichlorophenyl)- 2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}- piperazin-1-yl)phenyl]-2,4-dihydro-1,2,4-triazol-3-one","","- C35 H38 Cl2 N8 O4 -","- C39 H47 Cl2 N8 O4 -","- C156 H188 Cl8 N32 O16 -","4","2","NA1232","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","<i>cis</i>-2-<i>sec</i>-Butyl-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3<i>H</i>-1,2,4-triazol-3-one (Itraconazole)","Acta Crystallographica Section C","1996","52","9","2225","2229","10.1107/S0108270196004180","","","1.54184","CuKα","","0.1151","0.0594","","0.2","0.1461","","","","1.02","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005410","7.603","0.001","11.701","0.002","14.434","0.002","90","","101.17","0.01","90","","1259.8","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[bis(2-pyridyl)sulphide]palladium(II) bis(tetrafluoroborate)","","- C20 H16 B2 F8 N4 Pd S2 -","- C20 H16 B2 F8 N4 Pd0.5 S2 -","- C40 H32 B4 F16 N8 Pd S4 -","2","0.5","NA1236","Nicolò, F.; Bruno, G.; Tresoldi, G.","Bis[bis(2-pyridyl-<i>N</i>) sulfide]palladium(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","9","2188","2191","10.1107/S010827019600604X","","","0.71073","MoKα","","0.0465","0.0272","","0.0359","0.0314","","","","","1.48","1.48","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005411","8.366","0.002","11.066","0.002","14.562","0.002","90","","90","","90","","1348.1","0.4","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenylglycinium hydrogen squarate monohydrate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C48 H52 N4 O28 -","4","1","NA1238","Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T.","Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate","Acta Crystallographica Section C","1996","52","9","2218","2220","10.1107/S0108270196006452","","","0.71073","MoKα","","0.08","0.045","","0.081","0.057","","","","1.557","1.112","1.112","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005412","8.925","0.004","23.48","0.012","8.049","0.003","90","","96.36","0.03","90","","1676.4","1.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","OA1000","Moriwaki, H.; Kawamoto, T.; Oshima, T.","Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","Acta Crystallographica Section C","1996","52","9","2269","2271","10.1107/S0108270196003435","","","0.71073","MoKα","","","0.0699","","","0.0709","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005413","18.056","0.003","15.446","0.002","15.452","0.002","103.159","0.005","112.994","0.005","99.352","0.005","3707.8","0.9","293","2","293","2","","","","","","","","3","P 1","P 1","1","β-Cyclodextrin-nonanoic acid complex","cyclomaltoheptaose-nonanoic acid complex","","- C98.4 H216.6 O97.1 -","- C98.4 H92 O97.08 -","- C98.4 H92 O97.08 -","1","1","PA1218","Rontoyianni, A.; Mavridis, I. M.","β-Cyclodextrin Nonanoic Acid 1:1 Complex","Acta Crystallographica Section C","1996","52","9","2277","2281","10.1107/S0108270196002156","","","0.71069","MoKαNb-filtered","","0.127","0.0783","","0.2939","0.2069","","","","1.094","0.978","0.978","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005414","11.358","0.004","16.352","0.006","12.999","0.005","90","","101.56","0.01","90","","2365.3","1.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1461","0.056","","0.1027","0.0612","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005415","9.715","0.001","10.932","0.001","12.501","0.001","99.29","0.01","97.27","0.01","116.35","0.01","1144.2","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","Di-isobutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C46 H60 N4 O12 -","2","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.0776","0.0574","","0.2092","0.1595","","","","1.047","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005416","11.142","0.001","16.803","0.002","13.384","0.001","90","","109.9","0.01","90","","2356.1","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tertbutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1042","0.0542","","0.1535","0.1209","","","","1.035","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005417","6.778","0.001","10.451","0.001","11.618","0.001","91.34","0.01","98.88","0.01","97.51","0.01","805.35","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-chlorophenylsulfonyl) Ethenyl]-6-chloro-4H-1-benzopyran-4-one","","- C17 H10 Cl2 O4 S -","- C17 H10 Cl2 O4 S -","- C34 H20 Cl4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0308","","","0.0429","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005418","6.761","0.001","10.719","0.001","11.744","0.001","91.2","0.01","99.1","0.01","97.71","0.01","832.02","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-Bromophenylsulfonyl) ethenyl]-6-bromo-4H-1-benzopyran-4- one","","- C17 H10 Br2 O4 S -","- C17 H10 Br2 O4 S -","- C34 H20 Br4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.043","","","0.0484","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005419","39.053","0.013","6.7","0.002","13.471","0.005","90","","106.62","0.03","90","","3378","2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-[2-(4-chlorophenylsulfonyl) ethenyl]-6-methoxy-4H-1-benzopyran-4- one","","- C18 H13 Cl O5 S -","- C18 H13 Cl O5 S -","- C144 H104 Cl8 O40 S8 -","8","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0687","","","0.1612","","","","","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005421","14.907","0.007","10.506","0.004","12.518","0.003","90","","104.07","0.03","90","","1901.7","1.3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Br N3 S -","- C7 H8 Br N3 S -","- C56 H64 Br8 N24 S8 -","8","2","PT1014","Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S.","Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide","Acta Crystallographica Section C","1996","52","9","2377","2379","10.1107/S0108270195011000","","","1.54182","CuKα","","","0.056","","","0.058","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005422","10.917","0.004","7.933","0.005","23.137","0.002","90","","99.93","0.01","90","","1973.8","1.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C100 H68 Cl4 O12 -","4","1","PT1027","Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N.","4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde","Acta Crystallographica Section C","1996","52","9","2318","2320","10.1107/S0108270196003204","","","1.54184","CuKα","","","0.064","","","0.065","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005423","9.553","0.009","19.2","0.03","18.607","0.018","90","","101.76","0.07","90","","3341","7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","4","SK1003","Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T.","Packing of Four Independent Molecules: 1-Methyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-2,4-phenylenediamine","Acta Crystallographica Section C","1996","52","9","2340","2343","10.1107/S0108270196002272","","","0.71073","MoKα","","0.2251","0.1058","","0.4","0.2846","","","","0.998","1.362","1.362","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005424","7.671","0.001","20.414","0.002","8.326","0.002","90","","112.39","0.02","90","","1205.5","0.4","295","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","SK1005","Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.","(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile","Acta Crystallographica Section C","1996","52","9","2271","2272","10.1107/S0108270196004453","","","0.71073","MoKα","","","0.045","","","0.043","","","","","0.76","0.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005425","7.7989","0.0004","8.066","0.0011","7.8631","0.001","90","","116.336","0.013","90","","443.3","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","diisopropylammonium bromide","diisopropylammonium bromide","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","SK1006","Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.","Diisopropylammonium Bromide","Acta Crystallographica Section C","1996","52","9","2309","2311","10.1107/S010827019600354X","","","0.71073","MoKα","","0.0337","0.022","","0.0468","0.0436","","","","1.02","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005426","16.757","0.002","11.099","0.002","20.165","0.002","90","","110.73","0.01","90","","3507.6","0.9","211","2","211","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-(1,3,5-Tri-tert.-butyl-4-hydroxybenzyl)-1,3,5,tri-tert.-butyl-2-oxo- bicyclo[4.1.0]hept-3-en","","- C38 H62 O2 -","- C38 H62 O2 -","- C152 H248 O8 -","4","1","SK1019","Rieker, A.; Neumayer, M.; Hiller, W.","1,3,5-Tri-<i>tert</i>-butyl-5-(1,3,5-tri-<i>tert</i>-butyl-4-oxo-2,5-cyclohexadienyl)methylbicyclo[4.1.0]hept-3-en-2-one, a Highly Hindered Propane","Acta Crystallographica Section C","1996","52","9","2351","2353","10.1107/S0108270196004465","","","0.71073","MoKα","","0.0923","0.0451","","0.1137","0.094","","","","1.011","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005427","11.4291","0.0008","13.6877","0.0009","15.488","0.001","89.588","0.002","84.336","0.002","68.014","0.002","2234.6","0.3","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","1","0.5","SZ1036","Smyth, M. V.; Bailey, R. D.; Pennington, W. T.","Tetrakis(2,3,5,6-tetramethylpyrazinium) Tetra-μ~3~-iodo-hexa-μ-iodo-dodecaiodohexaantimonate(4‒) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2170","2173","10.1107/S0108270196006038","","","0.71073","MoKα","","","0.0633","","","0.0809","","","","","2.54","2.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005428","9.897","0.002","13.746","0.002","10.436","0.002","90","","99.81","0.02","90","","1399","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Fe N6 P4 -","- C20 H48 Fe N6 P4 -","- C40 H96 Fe2 N12 P8 -","2","0.5","TA1025","Field, L. D.; George, A. V.; Pike, S. R.; Buys, I. E.; Hambley, T. W.","<i>trans</i>-Diazidobis[1,2-bis(diethylphosphino)ethane-<i>P</i>,<i>P</i>']iron(II)","Acta Crystallographica Section C","1996","52","9","2164","2166","10.1107/S0108270195008882","","","0.7109","MoKα","","","0.05","","","0.058","","","","","2.26","2.26","","","","","has coordinates,has disorder","199470","2020-10-21","18:00:00",""
"2005429","7.238","0.002","8.881","0.002","6.14","0.001","99.81","0.02","112.84","0.02","99.81","0.02","346.05","0.16","293.2","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","1","0.5","TA1045","Sharma, R. P.; Bhasin, K. K.; Tiekink, E. R. T.","Sodium Dinitritobis(pyrazine-2-carboxylato-<i>N</i>,<i>O</i>)cobaltate(III)","Acta Crystallographica Section C","1996","52","9","2140","2141","10.1107/S0108270195009322","","","0.7107","MoKα","","0.0339","0.0339","","0.0263","0.0283","","","","1.791","1.791","1.791","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005430","10.941","0.003","17.658","0.005","13.516","0.002","90","","110.4","0.02","90","","2447.5","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl3 N2 Sn -","- C25 H21 Cl3 N2 Sn -","- C100 H84 Cl12 N8 Sn4 -","4","1","TA1046","Hall, V. J.; Tiekink, E. R. T.","Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1)","Acta Crystallographica Section C","1996","52","9","2141","2143","10.1107/S0108270195009334","","","0.7107","MoKα","","0.0849","0.04","","0.0371","0.034","","","","1.556","1.753","1.753","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005431","7.765","0.005","13.805","0.002","10.292","0.003","90","","105.1","0.03","90","","1065.2","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 N2 Sn -","- C12 H30 Cl4 N2 Sn -","- C24 H60 Cl8 N4 Sn2 -","2","0.5","TA1047","Hall, V. J.; Tiekink, E. R. T.","Bis(diethylammonium) Tetrachlorodivinylstannate(IV)","Acta Crystallographica Section C","1996","52","9","2143","2145","10.1107/S0108270195009346","","","0.7107","MoKalpha","","0.153","0.0465","","0.043","0.0362","","","","1.46","1.839","1.839","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005432","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","293","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","TA1076","Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.","Lupulin D","Acta Crystallographica Section C","1996","52","9","2229","2231","10.1107/S0108270196004829","","","0.71073","MoKα","","","0.039","","","0.037","","","","","0.841","0.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005433","5.224","0.001","5.096","0.001","31.006","0.006","90","","94.53","0.03","90","","822.8","0.3","296","0.1","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-hexamethylenebis(3-pyridinecarboxamide)","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","TA1081","Liu, Q.; Zhang, S.-W.; Wei, Y. G.; Shao, M.-C.","Anticancer and Antifertility Agents. II. <i>N</i>,<i>N</i>'-Hexamethylenebis(3-pyridinecarboxamide)","Acta Crystallographica Section C","1996","52","9","2260","2261","10.1107/S0108270196005045","","","0.71073","MoKα","","0.0691","0.0411","","0.0874","0.0639","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005434","4.47","0.002","17.568","0.002","10.183","0.002","90","","97.84","0.02","90","","792.2","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O3 -","- C7 H8 Cl N O3 -","- C28 H32 Cl4 N4 O12 -","4","1","TA1084","Okabe, N.; Shimosaki, A.; Miura, J.","3-Hydroxyanthranilic Acid Hydrochloride","Acta Crystallographica Section C","1996","52","9","2345","2347","10.1107/S0108270196003368","","","0.71069","MoKα","","","0.054","","","0.056","","","","","1.58","1.58","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005435","10.599","0.001","3.775","0.001","26.517","0.003","90","","95.17","0.01","90","","1056.7","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 N2 O2 -","- C34 H18 N2 O4 -","- C68 H36 N4 O8 -","2","0.5","TA1086","Mizuguchi, J.","5,15-Diaza-6,16-dihydroxytetrabenzo[<i>b</i>,<i>e</i>,<i>k</i>,<i>n</i>]perylene","Acta Crystallographica Section C","1996","52","9","2315","2317","10.1107/S0108270196004271","","","0.71073","MoKα","","","0.058","","","0.065","","","","","1.212","1.212","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005436","7.085","0.001","9.836","0.001","10.704","0.001","102.95","0.01","95.58","0.01","98.54","0.01","712.29","0.15","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","VJ1039","Rajnikant; Gupta, V. K.; Singh, A.; Lal, M.; Varghese, B.","Coumurrayin","Acta Crystallographica Section C","1996","52","9","2272","2274","10.1107/S0108270196004209","","","0.71073","MoKα","","","0.05","","","0.144","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005437","12.383","0.002","11.802","0.003","11.373","0.005","90","","94.57","0.03","90","","1656.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diacetatobis(pyridine)palladium(II) Hydrate","","- C14 H18 N2 O5 Pd -","- C14 H18 N2 O5 Pd -","- C56 H72 N8 O20 Pd4 -","4","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0269","0.0269","","0.0499","0.0499","","","","1.093","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005438","8.089","0.001","7.173","0.001","8.48","0.001","88.7","0.01","65.76","0.01","80.8","0.01","442.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetatobis(diethylamine)palladium(II)","","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","1","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0188","0.0188","","0.048","0.048","","","","1.08","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005439","28.787","0.004","8.619","0.003","11.623","0.005","90","","95.64","0.02","90","","2869.9","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N Na O7 S -","- C10 H16 N Na O7 S -","- C80 H128 N8 Na8 O56 S8 -","8","1","AB1205","Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.","Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)","Acta Crystallographica Section C","1996","52","10","2476","2477","10.1107/S0108270195004987","","","0.71073","MoKα","","","0.05","","","0.058","","","","","0.815","0.815","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005440","10.71","0.001","16.485","0.002","9.124","0.001","90","","113.59","0.01","90","","1476.3","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C76 H52 Cl4 O4 -","4","1","AB1316","Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S.","3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one","Acta Crystallographica Section C","1996","52","10","2543","2545","10.1107/S0108270195016490","","","1.5418","CuKα","","","0.055","","","0.076","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005441","16.531","0.004","13.224","0.002","22.633","0.002","90","","87.85","0.02","90","","4944.2","1.5","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ti -","- C22 H17.6667 Ti -","- C264 H212 Ti12 -","12","3","AB1327","Zhu, Y.; Shen, X.-M.","2,2'-Biphenylbis(η-cyclopentadienyl)titanium","Acta Crystallographica Section C","1996","52","10","2422","2425","10.1107/S0108270196001011","","","1.54184","CuKα","","","0.071","","","0.075","","","","","2.49","2.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005442","10.589","0.003","9.396","0.002","21.132","0.005","90","0.02","93.24","0.02","90","0.02","2099.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)","","- C20 H26 Cl2 N2 O5 -","- C20 H26 Cl2 N2 O5 -","- C80 H104 Cl8 N8 O20 -","4","1","AB1345","Castellari, C.; Ottani, S.","Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate","Acta Crystallographica Section C","1996","52","10","2619","2622","10.1107/S0108270196006300","","","0.71069","MoKα","","0.1955","0.0464","","0.1006","0.0698","","","","0.955","1.133","1.133","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005443","11.559","0.002","11.559","0.002","21.783","0.004","90","","90","","120","","2520.5","0.8","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Perchlorotriphenylcarbonium hexachloroantimonate(V)","","- C19 Cl21 Sb -","- C19 Cl21.008 Sb -","- C57 Cl63.024 Sb3 -","3","0.166667","AB1351","Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J.","Perchlorotriphenylcarbenium Hexachloroantimonate(V)","Acta Crystallographica Section C","1996","52","10","2412","2414","10.1107/S0108270196007287","","","0.71073","MoKα","","0.049","0.0438","","0.1379","0.1322","","","","1.026","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005444","13.273","0.003","9.692","0.002","38.608","0.008","90","","99.19","0.03","90","","4902.9","1.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","di(ciprofloxacinium) hexaaquamagnesium(II) bis(sulfate) hexahydrate","","- C34 H62 F2 Mg N6 O26 S2 -","- C34 H62 F2 Mg N6 O26 S2 -","- C136 H248 F8 Mg4 N24 O104 S8 -","4","0.5","AB1358","Turel, I.; Leban, I.; Zupancic, M.; Bukovec, P.; Gruber, K.","An Adduct of Magnesium Sulfate with a Member of the Quinolone Family (Ciprofloxacin)","Acta Crystallographica Section C","1996","52","10","2443","2445","10.1107/S0108270196005343","","","0.71073","MoKα","","0.1325","0.06","","0.1695","0.1172","","","","1.048","1.091","1.091","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2005445","5.766","0.001","7.46","0.001","7.267","0.003","90","","92.45","0.03","90","","312.3","0.15","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Br S -","- C3 H9 Br S -","- C6 H18 Br2 S2 -","2","0.5","AB1364","Svensson, P. H.; Kloo, L.","Trimethylsulfonium Bromide","Acta Crystallographica Section C","1996","52","10","2580","2581","10.1107/S0108270196006610","","","0.71069","MoKα","","","0.025","","","0.026","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005446","11.8328","0.0016","7.5583","0.0014","12.387","0.003","90","","90","","90","","1107.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 5","4-methylpyridazin-3(2H)-one","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.207","0.0566","","0.1738","0.1085","","","","0.933","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005447","6.903","0.002","6.302","0.002","14.406","0.003","90","","92.12","0.03","90","","626.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 6.H~2~O","5-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0533","0.0412","","0.1162","0.1054","","","","1.061","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005448","6.325","0.002","6.322","0.003","15.597","0.004","90","","90","","90","","623.7","0.4","150","0.2","150","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 7.H~2~O","6-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","0.5","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0825","0.0481","","0.1529","0.1229","","","","1.035","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005449","5.7","0.004","26.428","0.018","6.712","0.005","90","","110.94","0.07","90","","944.3","1.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 8","2-(p-tolyl)pyridazin-3(2H)-one","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0949","0.0538","","0.2555","0.1336","","","","1.06","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005450","10.006","0.001","14.876","0.001","11.34","0.001","90","","102.93","0.01","90","","1645.2","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cu N4 O6 -","- C34 H38 Cu N4 O6 -","- C68 H76 Cu2 N8 O12 -","2","0.5","AB1371","Hökelek, T.; Gündüz, H.; Necefouglu, H.","<i>trans</i>-Bis(benzoato-<i>O</i>,<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","1996","52","10","2470","2473","10.1107/S0108270196006312","","","0.71073","MoKα","","","0.0427","","","0.0448","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005451","12.96","0.002","17.444","0.003","8.068","0.002","90","","90","","90","","1824","0.6","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanocycloamphilect- 11(20)-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0769","0.0466","","0.0436","0.041","","","","","1.706","1.706","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005452","14.319","0.002","17.591","0.004","7.145","0.002","90","","90","","90","","1799.7","0.7","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,11R*,12R*,13S*,20S*)-7- isocyanoisocycloamphilect-14-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1233","0.0564","","0.0469","0.0431","","","","","2.091","2.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005453","9.502","0.001","9.942","0.001","9.841","0.002","90","","106.6","0.01","90","","890.9","0.2","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilecta- 11(20),15-diene","","","- C21 H31 N -","- C21 H31 N -","- C42 H62 N2 -","2","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0505","0.0393","","0.0383","0.0374","","","","","2.008","2.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005454","20.38","0.006","32.683","0.009","8.37","0.007","90","","90","","90","","5575","5","173","1","173","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","(1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilecta-11,14-diene","","","- C21 H31 N -","- C21 H31 N -","- C252 H372 N12 -","12","3","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1569","0.0573","","0.0538","0.0459","","","","","1.711","1.711","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005455","10.6038","0.0011","10.4252","0.0011","10.8255","0.0012","90","","118.675","0.002","90","","1050","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(μ~2~-pinacolato-O,O')-bis(pinacolato-O,O')-diboron","","- C18 H36 B2 O6 -","- C18 H36 B2 O6 -","- C36 H72 B4 O12 -","2","0.5","AB1397","Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J.","(μ~2~-Pinacolato-<i>O</i>,<i>O</i>')-bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","10","2545","2547","10.1107/S0108270196008177","","","0.71073","MoKα","","0.0587","0.0471","","0.1064","0.0983","","","","1.133","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005456","16.535","0.005","3.8939","0.001","19.89","0.005","90","","111.87","0.008","90","","1188.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","m-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.0932","0.0715","","0.1765","0.1674","","","","1.221","1.354","1.354","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005457","11.4508","0.001","7.3793","0.0007","29.047","0.003","90","0.002","99.642","0.002","90","0.002","2419.8","0.4","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.056","0.0386","","0.1061","0.0937","","","","1.063","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005458","25.559","0.002","7.0926","0.0007","22.138","0.002","90","","110.792","0.008","90","","3751.8","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1)","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C184 H144 N16 O24 -","8","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.1775","0.0706","","0.1513","0.1251","","","","0.951","1.273","1.273","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005459","16.716","0.005","13.765","0.005","17.782","0.003","90","","117.18","0.02","90","","3639.8","1.9","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","","- C42 H36 N6 O6 -","- C42 H36 N6 O6 -","- C168 H144 N24 O24 -","4","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.2379","0.0769","","0.1875","0.1428","","","","0.905","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005460","15.048","0.002","19.295","0.003","8.1684","0.001","90","","90","","90","","2371.7","0.6","294","1","294","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,4'-Sulfonyldiphenol","","- C12 H10 O4 S -","- C12 H10 O4 S -","- C96 H80 O32 S8 -","8","","AB1406","Glidewell, C.; Ferguson, G.","Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol","Acta Crystallographica Section C","1996","52","10","2528","2530","10.1107/S0108270196009316","","","0.7107","MolybdenumKα","","0.1579","0.0468","","0.0874","0.0722","","","","0.905","1.294","1.294","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005461","11.447","0.001","12.989","0.001","24.881","0.001","90","","90","","90","","3699.4","0.5","294","","","","","","","","","","","5","P b c n","","","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C160 H192 N16 O24 S8 -","8","1","BK1153","Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A.","<i>cis</i>-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one","Acta Crystallographica Section C","1996","52","10","2595","2597","10.1107/S0108270196005070","","","0.7093","MoKα","","","0.0486","","","0.1087","","","","","1.205","1.205","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005462","9.0882","0.0008","12.7583","0.0014","15.5461","0.0013","90","","104.725","0.007","90","","1743.4","0.3","163","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B O -","- C22 H23 B O -","- C88 H92 B4 O4 -","4","1","BK1195","Evans, W. J.; Shreeve, J. L.; Ziller, J. W.","Triphenyl(tetrahydrofuranyl)boron","Acta Crystallographica Section C","1996","52","10","2571","2573","10.1107/S0108270196006683","","","0.71073","MoKα","","","0.063","","","0.067","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005463","11.49","0.002","11.49","0.002","30.906","0.003","90","","90","","90","","4080.2","1.1","153.2","","153.2","","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C30 H32 Cd F10 N6 Nb2 O2 -","- C32 H32 Cd F10 N8 Nb2 O2 -","- C128 H128 Cd4 F40 N32 Nb8 O8 -","4","0.25","BK1219","Halasyamani, P.; Willis, M. J.; Heier, K. R.; Stern, C. L.; Poeppelmeier, K. R.","[pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~]^2{-^}","Acta Crystallographica Section C","1996","52","10","2491","2493","10.1107/S0108270196007573","","","0.7107","MoKα","","","0.0245","","","0.0289","","","","","2.35","2.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005464","10.2743","0.0001","9.6211","0.0002","17.3827","0.0004","90","","94.95","0.001","90","","1711.87","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 3-(9-anthryl)-5-methyl-4-isoxazolecarboxylate","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","BK1222","Mosher, M. D.; Natale, N. R.; Vij, A.","An Intercalating Isoxazole","Acta Crystallographica Section C","1996","52","10","2513","2515","10.1107/S0108270196005082","","","0.71073","MoKα","","0.0498","0.047","","0.111","0.1094","","","","1.2","1.222","1.222","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005465","9.615","0.002","4.909","0.001","21.126","0.004","90","","99.02","0.03","90","","984.8","0.4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-poly[μ-(difluorophosphato-O:O')bis{silver-μ- (4,4'-dicyanodiphenylacetylene-N:N')}]","","- C16 H8 Ag2 F4 N2 O4 P2 -","- C16 H8 Ag2 F4 N2 O4 P2 -","- C32 H16 Ag4 F8 N4 O8 P4 -","2","0.5","BK1228","Hirsch, K. A.; Wilson, S. R.; Moore, J. S.","A Silver(I) Complex of 4,4'-Dicyanodiphenylacetylene with a Difluorophosphate (PO~2~F~2~^{-^}) Counterion","Acta Crystallographica Section C","1996","52","10","2419","2422","10.1107/S0108270196005173","","","0.71073","MoKα","","0.0403","0.03","","0.078","0.0726","","","","1.05","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005466","25.483","0.004","8.0133","0.0019","15.339","0.004","90","","121.581","0.014","90","","2668.4","1.1","297","","297","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H48 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","BK1233","Wahle, M. C.; Byrn, S. R.","3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","10","2500","2502","10.1107/S0108270196005161","","","1.54184","Cu-Kα","","0.088","0.062","","0.19","0.19","","","","1.101","1.101","1.101","","","","","has coordinates","198472","2020-10-21","18:00:00",""
"2005467","7.793","0.006","15.72","0.009","20.514","0.012","90","","90","","90","","2513","3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate","","- C25 H43 Na O6 -","- C25 H43 Na O6 -","- C100 H172 Na4 O24 -","4","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","0.71073","MoKα","","0.099","0.068","","0.156","0.156","","","","1.045","1.045","1.045","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005468","10.466","0.002","7.6364","0.0019","17.197","0.002","90","","90.37","0.012","90","","1374.4","0.5","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate","","- C27 H47 Na O6 -","- C27 H47 Na O6 -","- C54 H94 Na2 O12 -","2","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","1.54184","CuKα","","0.205","0.063","","0.205","0.134","","","","1.088","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005469","9.8583","0.0003","10.7631","0.0001","11.3841","0.0003","64.636","0.002","84.154","0.002","83.762","0.002","1082.96","0.05","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","BK1243","Dixon, J. A.; Swiss, K. A.; Denmark, S. E.","<i>rel</i>-(1<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>R</i>,9<i>S</i>)-9-Methyl-8-phenyl-6-[(1<i>S</i>,2<i>R</i>)-(2-phenylcyclohexyl)oxy]-4-aza-3,5-dioxatricyclo[5.2.1.0^4,9^]decane","Acta Crystallographica Section C","1996","52","10","2561","2563","10.1107/S0108270196006671","","","0.71073","MoKα","","0.1001","0.049","","0.126","0.1011","","","","1.03","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005470","33.749","0.004","4.459","0.003","28.151","0.003","90","","98.59","0.01","90","","4189","3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","fluorene-9-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C224 H160 O32 -","16","2","BK1245","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","10","2638","2641","10.1107/S0108270196006269","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005471","18.494","0.008","9.857","0.003","20.886","0.008","90","","100.83","0.03","90","","3740","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-bis(diphenylmethylphosphine)- (η^2^-3,3-diphenylcyclopropene)-oxo-tungsten","","- C41 H38 Cl2 O P2 W -","- C41 H38 Cl2 O P2 W -","- C164 H152 Cl8 O4 P8 W4 -","4","1","BK1246","Day, M. W.; Wilhelm, T. E.; Grubbs, R. H.","A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst","Acta Crystallographica Section C","1996","52","10","2460","2462","10.1107/S0108270196006464","","","0.71073","MoKα","","0.0658","0.036","","0.0765","0.062","","","","1.502","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005472","9.5","0.002","10.031","0.003","4.91","0.002","90","","97.4","0.02","90","","464","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H8 Cl2 N4 -","- C6 H8 Cl2 N4 -","- C12 H16 Cl4 N8 -","2","0.25","BK1258","Bélanger, S.; Beauchamp, A. L.","2,2'-Bi(1<i>H</i>-imidazolium) Dichloride","Acta Crystallographica Section C","1996","52","10","2588","2590","10.1107/S0108270196008098","","","1.54056","CopperKα","","0.0439","0.043","","0.109","0.1084","","","","1.12","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005473","4.837","0.001","13.296","0.001","18.24","0.001","90","","90","","90","","1173.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O4 -","- C10 H12 F2 N2 O4 -","- C40 H48 F8 N8 O16 -","4","1","BM1043","Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A.","3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue","Acta Crystallographica Section C","1996","52","10","2615","2616","10.1107/S010827019600282X","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.428","1.428","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005474","8.469","0.008","13.474","0.008","11.256","0.009","90","","106.29","0.06","90","","1232.9","1.7","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","BM1075","Fortes, A. G.; Johnstone, R. A. W.; Mahmood, S.","<i>N</i>-(1-Methyl-2-pyrrolidinylidene)-<i>p</i>-toluenesulfonamide: a Condensation Product of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone","Acta Crystallographica Section C","1996","52","10","2569","2570","10.1107/S0108270196006750","","","0.71073","MoKα","","","0.0549","","","0.0579","","","","","1.977","1.977","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005475","7.4346","0.001","15.8698","0.001","12.559","0.001","90","","96.91","0.01","90","","1471","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-[bis(dimethylamino)bis(1-methylcytosine) platinum(II)]bis(tetrachlorothallate(III))","","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C24 H48 Cl16 N16 O4 Pt2 Tl4 -","2","0.5","BM1076","Zangrando, E.; Randaccio, L.; Pichierri, F.; Lippert, B.; Holthenrich, D.","<i>trans</i>-Bis(methylamine-<i>N</i>)bis(1-methylcytosine-<i>N</i>^3^)platinum(II) Bis[tetrachlorothallate(III)]","Acta Crystallographica Section C","1996","52","10","2468","2470","10.1107/S010827019600683X","","","0.71073","MoKα","","0.0978","0.0351","","","0.0384","","","","","1.08","1.08","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005476","6.768","0.012","10.675","0.014","12.384","0.012","81.37","0.05","77.01","0.05","74.77","0.12","837","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Maleimide","","","- C4 H3 N O2 -","- C4 H3 N O2 -","- C32 H24 N8 O16 -","8","4","BM1088","Cox, P. J.; Parker, S. F.","Maleimide","Acta Crystallographica Section C","1996","52","10","2578","2580","10.1107/S0108270196006841","","","0.71073","MoKα","","0.1407","0.063","","0.1715","0.1398","","","","0.764","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005477","9.2065","0.0004","11.1298","0.0009","20.0264","0.0008","90","","90","","90","","2052","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- La Mo8 O14 -","- La Mo8 O14 -","- La8 Mo64 O112 -","8","1","BR1140","Kerihuel, G.; Tortelier, J.; Gougeon, P.","LaMo~8~O~14~","Acta Crystallographica Section C","1996","52","10","2389","2393","10.1107/S010827019600532X","","","0.71073","MoKα","","0.0562","0.0365","","0.0816","0.0772","","","","1.142","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005478","4.52","0.002","4.52","0.002","15.484","0.008","90","","90","","90","","316.3","0.3","113","2","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag0.64 Cs Mn1.18 Te2 -","- Ag0.64 Cs Mn1.18 Te2 -","- Ag1.28 Cs2 Mn2.36 Te4 -","2","0.0625","BR1142","Wu, E. J.; Pell, M. A.; Ibers, J. A.","CsAg~0.64~Mn~1.18~Te~2~","Acta Crystallographica Section C","1996","52","10","2384","2385","10.1107/S0108270196006294","","","0.7093","MoKα~1~","","","0.0308","","","0.1182","","","","","2.392","2.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005479","8.984","0.002","16.588","0.004","13.732","0.002","90","","103.27","0.02","90","","1991.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-hexanoyl-1-tosylindole","3-hexanoyl-1-(p-methylphenylsulphonyl)indole","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","CF1004","Mohialdin-Khaffaf, S.; Persaud, K. C.; Pritchard, R. G.","3-Hexanoyl-1-tosylindole. A Highly Stereospecific Preparation of 3-Alkyl-Substituted Indoles","Acta Crystallographica Section C","1996","52","10","2607","2609","10.1107/S010827019600580X","","","0.71069","MoKα","","0.2052","0.0659","","0.3392","0.1973","","","","1.078","1.222","1.222","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005480","13.2001","0.0012","19.4239","0.0015","15.1868","0.0013","90","","90","","90","","3893.9","0.6","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[N-2-propylsalicylideneamino]cobalt(II)","","- C20 H24 Co N2 O2 -","- C20 H24 Co N2 O2 -","- C160 H192 Co8 N16 O16 -","8","1","CF1056","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1996","52","10","2434","2436","10.1107/S0108270196007111","","","0.71073","MoKα","","","0.035","","","0.04","","","","","1.27","1.27","","","","","has coordinates","198529","2020-10-21","18:00:00",""
"2005481","4.8797","0.0011","12.155","0.001","14.7338","0.0016","68.364","0.01","86.482","0.012","78.77","0.011","796.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O11 Pb -","- C14 H10 N2 O11 Pb -","- C28 H20 N4 O22 Pb2 -","2","1","CF1064","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Aquabis(<i>p</i>-nitrosalicylato-<i>O</i>,<i>O</i>')lead(II)","Acta Crystallographica Section C","1996","52","10","2436","2439","10.1107/S0108270196007123","","","0.71073","MoKα","","","0.027","","","0.029","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005482","10.608","0.003","19.147","0.006","17.448","0.005","90","","107.22","0.02","90","","3385","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)-cis-1,2-O-Cyclohexylidene-3,4,5,6-tetra-O-benzyl myo-inositol","","- C40 H44 O6 -","- C40 H44 O6 -","- C160 H176 O24 -","4","1","CF1070","Spiers, I. D.; Schwalbe, C. H.; Freeman, S.","3,4,5,6-Tetra-<i>O</i>-benzyl-<i>cis</i>-1,2-<i>O</i>-cyclohexylidene <i>myo</i>-Inositol","Acta Crystallographica Section C","1996","52","10","2575","2578","10.1107/S0108270196005410","","","0.71069","MoKα","","0.1479","0.0511","","0.1513","0.1065","","","","1.005","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005483","21.519","0.003","5.5068","0.0004","16.422","0.002","90","","128.692","0.012","90","","1518.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","0.71069","MoKα","","0.0588","0.0416","","0.1366","0.1079","","","","1.11","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005484","15.7468","0.0004","17.3677","0.0005","11.5306","0.0004","90","","90","","90","","3153.45","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","1.5418","CuKα","","0.0415","0.0387","","0.1055","0.102","","","","1.079","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005485","9.709","0.002","15.482","0.002","18.267","0.003","90","","96.2","0.01","90","","2729.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P] platinum(II)","","- C24 H24 Cl2 F6 O3 P2 Pt -","- C24 H24 Cl2 F6 O3 P2 Pt -","- C96 H96 Cl8 F24 O12 P8 Pt4 -","4","1","CF1103","Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J.","<i>cis</i>-Dichloro(triethylphosphine-<i>P</i>)[tris(2,6-difluorophenyl)phosphite-<i>P</i>]platinum(II)","Acta Crystallographica Section C","1996","52","10","2463","2464","10.1107/S0108270196007160","","","0.71073","MoKα","","0.0428","0.0293","","0.0669","0.0616","","","","1.043","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005486","6.873","0.001","7.2268","0.0014","7.471","0.002","80.41","0.02","80.27","0.02","67.121","0.01","334.88","0.12","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,5-dimethanol","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C14 H18 N2 O4 -","2","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.106","0.0483","","0.1328","0.1182","","","","0.969","1.203","1.203","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005487","4.566","0.0003","8.1331","0.0005","23.173","0.003","90","","90","","90","","860.55","0.14","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzene-1,3,5-trimethanol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.0921","0.0434","","0.1004","0.0889","","","","1.05","1.244","1.244","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005488","8.1765","0.001","8.1765","","26.34","0.002","90","","90","","120","","1525","0.2","294","1","294","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ferrocene-1,1'-diylbis(2-phenylethanedione)","","- C26 H18 Fe O4 -","- C26 H18 Fe O4 -","- C78 H54 Fe3 O12 -","3","0.5","CF1133","Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M.","1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1996","52","10","2465","2468","10.1107/S0108270196009699","","","0.7107","MolybdenumKα","","0.0681","0.0487","","0.1157","0.1074","","","","1.065","1.134","1.134","","","","","has coordinates","192286","2020-10-21","18:00:00",""
"2005489","7.529","0.004","20.689","0.012","30.469","0.016","90","","90","","90","","4746","4","302.3","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 O4 S2 -","- C13 H16 N4 O4 S2 -","- C156 H192 N48 O48 S24 -","12","3","DE1032","Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.","A [3.1.0]-Fused 2',3'-Modified β-<small>D</small>-Pyrazolo[3,4-<i>d</i>]pyrimidine Nucleoside","Acta Crystallographica Section C","1996","52","10","2563","2566","10.1107/S0108270196004015","","","0.71073","MoKα","","","0.052","","","0.087","","","","","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005490","13.616","0.001","11.977","0.002","15.804","0.001","90","","111.09","0.02","90","","2404.7","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C104 H124 N4 O16 -","4","1","DE1036","Gunasekaran, K.; Velmurugan, D.; Murugan, P.; Ramakrishnan, V. T.; Panneerselvam, K.; Soriano-García, M.","3,4,6,7,9,10-Hexahydro-3,3,6,6-tetramethyl-1,8(2<i>H</i>,5<i>H</i>)-dioxo-10-phenyl-9-acridinylmethyl Acetate","Acta Crystallographica Section C","1996","52","10","2609","2612","10.1107/S010827019600652X","","","1.54184","CuKα","","","0.0516","","","0.134","","","","","0.903","0.903","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005491","9.673","0.001","6.992","0.003","22.867","0.003","90","","90","","90","","1546.6","0.7","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trieuropium Boron Disilicate","","- B Eu3 O10 Si2 -","- B Eu3 O10 Si2 -","- B8 Eu24 O80 Si16 -","8","1","DU1155","Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.","A New Europium Borosilicate, Eu~3~BSi~2~O~10~","Acta Crystallographica Section C","1996","52","10","2385","2387","10.1107/S0108270196005069","","","0.71073","MoKα","","","0.0527","","","0.0608","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005492","13.032","0.004","11.948","0.004","16.295","0.005","90","","103.83","0.02","90","","2463.7","1.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]","","- C18 H10 Ag2 F6 N4 O7 S2 -","- C18 H10 Ag2 F6 N4 O7 S2 -","- C72 H40 Ag8 F24 N16 O28 S8 -","4","0.5","FG1114","Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.","Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica Section C","1996","52","10","2416","2419","10.1107/S0108270196006099","","","0.71073","MoKα","","0.0476","0.0318","","0.0801","0.073","","","","1.065","1.103","1.103","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005493","12.165","0.003","13.296","0.009","15.175","0.008","90","","90","0.001","90","0.001","2454.7","2.1","293","2","","","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C8 H6 Ag F6 N2 O P -","- C8 H6 Ag F6 N2 O P -","- C64 H48 Ag8 F48 N16 O8 P8 -","8","","","","A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica C","1996","52","","2385","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005494","7.313","0.002","9.057","0.002","6.994","0.002","107.63","0.02","117.6","0.02","74.81","0.002","387.16","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trans-Dichlorobis(creatinine)platinum(II) Dyhydrate","","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","1","0.5","FG1117","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martín-Gil, J.; Martín-Gil, F. J.","A New Allotropic Form of <i>trans</i>-Dichlorobis(creatinine)platinum(II) Dihydrate","Acta Crystallographica Section C","1996","52","10","2450","2452","10.1107/S0108270196008086","","","0.71073","MoKα","","0.0851","0.0388","","0.0551","0.0478","","","","0.995","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005495","13.193","0.006","14.523","0.007","23.784","0.009","82.26","0.04","102.89","0.03","109.25","0.03","4185","3","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H67 N O P3 Ta Te10 -","- C75 N O P3 Ta Te10 -","- C150 N2 O2 P6 Ta2 Te20 -","2","1","FG1123","Flomer, W. A.; Kolis, J. W.; Pennington, W. T.","Tris(tetraphenylphosphonium) Decatelluriumtantalide Dimethylformamide (1/1), a Tetraphenylphosphonium Salt of TaTe~10~^3{-^}","Acta Crystallographica Section C","1996","52","10","2445","2448","10.1107/S0108270196005847","","","0.71073","MoKα","","","0.0598","","","0.0709","","","","","1.502","1.502","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005496","13.555","0.003","13.059","0.004","18.919","0.002","90","","107.58","0.01","90","","3192.5","1.3","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 O Sr -","- C32 H54 O Sr -","- C128 H216 O4 Sr4 -","4","0.5","FG1143","Burkey, D. J.; Hanusa, T. P.","(Tetrahydrofuran-<i>O</i>)bis(η^5^-1,2,4-triisopropylcyclopentadienyl)strontium","Acta Crystallographica Section C","1996","52","10","2452","2454","10.1107/S0108270196007330","","","1.5418","CuKα","","","0.0328","","","0.042","","","","","1.58","1.58","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005497","17.754","0.009","16.129","0.007","14.99","0.005","90","","103.33","0.03","90","","4177","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H37 Hf N5 O4 -","- C50 H37 Hf N5 O4 -","- C200 H148 Hf4 N20 O16 -","4","0.5","FG1145","Huhmann, J. L.; Rath, N. P.; Corey, J. Y.","(Tetraphenylporphyrinato)hafnium(IV) Diacetate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","10","2486","2488","10.1107/S0108270196007780","","","0.71073","MoKα","","0.1375","0.078","","0.1096","0.092","","","","1.376","1.527","1.527","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2005498","9.162","0.002","10.808","0.003","11.627","0.003","102.01","0.01","103.27","0.01","113.63","0.01","966.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) tetrahydrate","","- C14 H22 N2 O9 S Zn -","- C14 H22 N2 O9 S Zn -","- C28 H44 N4 O18 S2 Zn2 -","2","1","FG1160","Baggio, R.; Perec, M.; Garland, M. T.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiodiacetato-<i>O</i>,<i>O</i>',<i>S</i>)zinc(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","10","2457","2460","10.1107/S0108270196007329","","","0.71073","MoKα","","0.0242","0.0221","","0.0583","0.0575","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005499","8.1649","0.0009","8.6999","0.0013","8.9848","0.0011","90","","110.744","0.009","90","","596.85","0.14","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-di(2-propanone)-2,2'-biimidazole","","- C6 H7 N2 O -","- C12 H14 N4 O2 -","- C24 H28 N8 O4 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.0521","0.0435","","0.1401","0.133","","","","1.146","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005500","7.1044","0.0009","5.259","0.0005","13.421","0.002","90","","99.646","0.01","90","","494.35","0.11","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-di(cyanomethyl)-2,2'-biimidazole","","- C5 H4 N3 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.042","0.0367","","0.1034","0.0972","","","","1.058","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005501","11.3869","0.0003","12.6938","0.0004","12.8468","0.0004","62.04","0.001","74.175","0.001","63.795","0.001","1466.53","0.08","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Monospiro(1,2-phenylenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C30 H20 F4 N3 O6 P3 -","- C30 H20 F4 N3 O6 P3 -","- C60 H40 F8 N6 O12 P6 -","2","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0597","0.0454","","0.1157","0.1051","","","","1.037","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005502","8.1325","0.0001","26.5942","0.0003","29.8727","0.0005","90","","90","","90","","6460.79","0.15","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C34 H22 F4 N3 O6 P3 -","- C34 H22 F4 N3 O6 P3 -","- C272 H176 F32 N24 O48 P24 -","8","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0777","0.0468","","0.1125","0.0818","","","","1.085","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005503","9.676","0.002","6.579","0.002","11.215","0.002","90","","90","","90","","713.9","0.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Hydroxy-2-methyl-4H-pyran-4-on-4-ium Chloride","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","0.5","FG1175","Bilodeau, D.; Beauchamp, A. L.","Maltol Hydrochloride","Acta Crystallographica Section C","1996","52","10","2633","2636","10.1107/S0108270196005550","","","1.54056","CuKα","","0.0337","0.0267","","0.0713","0.0689","","","","0.973","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005504","12.846","0.002","13.608","0.002","11.146","0.001","90","","91.89","0.01","90","","1947.4","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-2-Acetylcinnamic Acid","(E)-2-acetyl-3-phenylpropenoic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FG1176","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.; Williams, IV, J. A.","(<i>E</i>)-2-Acetylcinnamic Acid: Hydrogen-Bonding Pattern of an α,β-Unsaturated β'-Keto Acid","Acta Crystallographica Section C","1996","52","10","2612","2614","10.1107/S0108270196005860","","","0.71073","MoKα","","0.0803","0.0436","","0.1197","0.1081","","","","0.858","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005505","9.519","0.003","11.446","0.004","11.65","0.004","108.67","0.03","104.86","0.03","94.68","0.03","1143.6","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","Difluorobis(diphenylphosphino)methane disulfide","","- C25 H20 F2 P2 S2 -","- C25 H20 F2 P2 S2 -","- C50 H40 F4 P4 S4 -","2","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0562","0.0383","","0.105","0.0937","","","","1.021","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005506","12.998","0.004","13.719","0.003","13.873","0.003","90","","90","","90","","2473.8","1.1","178","2","178","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Difluorobis(diphenylphosphino)methane bis(chlorogold(I))","","- C25 H20 Au2 Cl2 F2 P2 -","- C25 H20 Au2 Cl2 F2 P2 -","- C100 H80 Au8 Cl8 F8 P8 -","4","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0598","0.0405","","0.0945","0.0864","","","","0.974","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005507","10.6814","0.0015","20.22","0.005","11.467","0.002","90","","90","","90","","2476.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Chlorotris-(p-methylsulphonylphenyl)Tin(IV)","","- C21 H21 Cl O6 S3 Sn -","- C21 H21 Cl O6 S3 Sn -","- C84 H84 Cl4 O24 S12 Sn4 -","4","1","FG1190","Wharf, I.; Lebuis, A.-M.; Lamparski, H.","Chlorotris(<i>p</i>-methylsulfonylphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","10","2477","2480","10.1107/S0108270196007792","","","0.7093","MolybdenumKα","","0.075","0.0478","","0.0827","0.0755","","","","1.027","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005508","7.3431","0.0009","15.305","0.002","14.475","0.003","90","","97.25","0.02","90","","1613.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis(methylcyclopentadienyl)pentafluorophenyltitanium(IV)","","- C18 H14 Cl F5 Ti -","- C18 H14 Cl F5 Ti -","- C72 H56 Cl4 F20 Ti4 -","4","1","FG1195","Kienitz, C. O.; Thöne, C.; Jones, P. G.","Chlorobis(η^5^-methylcyclopentadienyl)(2,3,4,5,6-pentafluorophenyl)titanium(IV)","Acta Crystallographica Section C","1996","52","10","2402","2404","10.1107/S0108270196006981","","","0.71073","MoKα","","0.0468","0.0401","","0.1236","0.108","","","","1.068","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005509","9.657","0.004","10.749","0.003","10.996","0.003","90","","110.44","0.03","90","","1069.6","0.6","166","2","166","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-5-bis(ferrocenyl)naphthalene","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C60 H48 Fe4 -","2","0.5","FG1200","McAdam, C. J.; Robinson, B. H.; Simpson, J.","1,5-Diferrocenylnaphthalene","Acta Crystallographica Section C","1996","52","10","2404","2406","10.1107/S0108270196007305","","","0.71073","MoKα","","0.0559","0.0382","","0.0892","0.0854","","","","0.901","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005510","8.1522","0.0012","8.891","0.0008","8.9605","0.0008","82.552","0.008","89.561","0.004","63.421","0.004","575","0.11","173","2","173","2","","","","","","","","6","P 1","P 1","1","","(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine)cobalt(III) Chloroform Solvate","","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","1","1","FG1202","Jones, P. G.; Yang, L.; Steinborn, D.","(<i>cis</i>-1,2-Dichlorovinyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~","Acta Crystallographica Section C","1996","52","10","2399","2402","10.1107/S0108270196007810","","","0.71073","MoKα","","0.0303","0.0291","","0.0752","0.0746","","","","1.053","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005511","12.013","0.002","10.61","0.002","15.634","0.003","90","","103.08","0.03","90","","1941","0.7","243","2","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(tert-butylthio)germanium-Imide trimer","","- C24 H57 Ge3 N3 S6 -","- C24 H57 Ge3 N3 S6 -","- C48 H114 Ge6 N6 S12 -","2","1","FG1205","George, C.; Purdy, A. P.","Bis(<i>tert</i>-butylthiolato-<i>S</i>)germanium‒Imide Trimer","Acta Crystallographica Section C","1996","52","10","2489","2491","10.1107/S0108270196007822","","","1.54178","CuKα","","0.0582","0.0512","","0.132","0.1258","","","","1.038","1.043","1.043","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005512","15.7353","0.002","15.7353","","5.2803","0.0017","90","","90","","90","","1307.4","0.5","","","298","","","","","","","","","3","I -4","I -4","82","","benzenecarboximidamide","","- C7 H8 N2 -","- C7 H8 N2 -","- C56 H64 N16 -","8","1","HA1142","Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R.","Benzamidine","Acta Crystallographica Section C","1996","52","10","2617","2619","10.1107/S0108270196006282","","","1.5418","CuKα","","","0.034","","","0.029","","","","","0.957","0.957","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005513","10.552","0.001","24.993","0.0018","7.97","0.001","90","","90","","90","","2101.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","α-5-Adamantyl-4'-thio-2'-deoxyuridine methanol solvate","","- C20 H30 N2 O5 S -","- C20 H30 N2 O5 S -","- C80 H120 N8 O20 S4 -","4","1","HA1160","Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T.","α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate","Acta Crystallographica Section C","1996","52","10","2556","2558","10.1107/S010827019600529X","","","0.71069","MoKα","","0.038","0.0345","","0.1049","0.0954","","","","1.049","0.963","0.963","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005514","7.495","0.001","12.18","0.001","13.75","0.001","90","","104.38","0.01","90","","1215.9","0.2","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione","","- C12 H8 O S4 -","- C12 H8 O S4 -","- C48 H32 O4 S16 -","4","1","HA1162","Ozturk, T.; Wallis, J. D.","6-(4-Methoxyphenyl)thieno[2,3-<i>d</i>][1,3]dithiole-2-thione at 150K","Acta Crystallographica Section C","1996","52","10","2552","2554","10.1107/S0108270196005264","","","0.71069","MoKα","","0.0632","0.0551","","0.1312","0.1288","","","","1.011","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005515","4.6709","0.0002","14.9289","0.0007","9.0408","0.0009","90","","90.131","0.011","90","","630.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","l-Histidyl-l-alanine dihydrate","l-Histidyl-l-alanine dihydrate","","- C9 H18 N4 O5 -","- C9 H18 N4 O5 -","- C18 H36 N8 O10 -","2","1","HA1164","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-alanine Dihydrate","Acta Crystallographica Section C","1996","52","10","2554","2556","10.1107/S0108270196006804","","","1.54176","CuKα","","0.0219","0.0204","","0.0564","0.0545","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005516","10.516","0.003","12.855","0.004","11.623","0.002","90","","109.1","0.02","90","","1484.7","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N5 O2 -","- C11 H16 Br N5 O2 -","- C44 H64 Br4 N20 O8 -","4","1","HU1107","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine Dimethanol Solvate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1996","52","10","2627","2629","10.1107/S010827019501300X","","","1.54178","CuKα","","","0.0496","","","0.0577","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005517","11.89","0.002","12.286","0.003","13.579","0.003","90","","94.32","0.02","90","","1978","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2)","","- C5 H20 Cs2 N3 P7 -","- C5 H20 Cs2 N3 P7 -","- C20 H80 Cs8 N12 P28 -","4","1","JZ1122","Korber, N.; Daniels, J.","Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2)","Acta Crystallographica Section C","1996","52","10","2454","2457","10.1107/S0108270196005902","","","0.71073","MoKα","","0.0441","0.0408","","0.1073","0.1055","","","","1.199","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005518","10.51","0.001","10.438","0.001","19.012","0.002","90","","103.552","0.007","90","","2027.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,2-bis(4-pyridyl)ethane)cadmium(II) Tetracyanonickelate(II) -m-Xylene","","- C44 H44 Cd N8 Ni -","- C44 H44 Cd N8 Ni -","- C88 H88 Cd2 N16 Ni2 -","2","0.5","KA1143","Güneş, B.; Soylu, H.; Özbey, S.; Tufan, Y.; Karacan, N.","Bis(1,2-di-4-pyridylethane-<i>N</i>:<i>N</i>')cadmium(II) Tetracyanonickelate(II) <i>m</i>-Xylene Solvate","Acta Crystallographica Section C","1996","52","10","2425","2427","10.1107/S0108270196005380","","","0.71073","MoKα","","","0.0542","","0.1189","","","","","1.495","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005519","9.003","0.002","11.142","0.003","7.568","0.002","90","","99.51","0.02","90","","748.7","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 Mn2 O16 -","- C8 H4 Mn2 O16 -","- C16 H8 Mn4 O32 -","2","1","KA1155","Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X.","Polymeric (Aqua-1κ<i>O</i>)bis[(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dimanganese(II) Trihydrate","Acta Crystallographica Section C","1996","52","10","2473","2475","10.1107/S0108270196006427","","","0.71073","MoKα","","","0.068","","","0.2053","","","","","1.116","1.116","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005520","10.1646","0.0007","8.8048","0.0006","13.157","0.001","90","","96.327","0.006","90","","1170.34","0.14","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(n-propyl)-2-oxy-1-naphthaldimine","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","KA1185","Kaitner, B.; Pavlovic, G.","A Reinvestigation of the Quinoidal Effect in <i>N</i>-<i>n</i>-Propyl-2-oxo-1-naphthylidenemethylamine","Acta Crystallographica Section C","1996","52","10","2573","2575","10.1107/S0108270196005495","","","0.71073","MolybdenumKα","","","0.036","","","0.058","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005521","10.372","0.003","10.787","0.002","13.571","0.003","74.35","0.02","74.37","0.02","87.03","0.02","1407.7","0.6","292","","292","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(creatinine)platinum(II) Dithiocyanate","","- C18 H28 N14 O4 Pt S2 -","- C18 H28 N14 O4 Pt S2 -","- C36 H56 N28 O8 Pt2 S4 -","2","1","KA1187","Macíček, J.; Gencheva, G.; Mitewa, M.","Tetrakis(creatinine)platinum(II) Dithiocyanate","Acta Crystallographica Section C","1996","52","10","2429","2432","10.1107/S0108270196007901","","","0.71073","MoKα","","0.06","0.034","","0.041","0.046","","","","2.285","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005522","10.604","0.005","13.327","0.003","32.664","0.009","90","","90","","90","","4616","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,12,4""-tri-O-methylazithromycin monohydrate","","- C41 H80 N2 O13 -","- C41 H80 N2 O13 -","- C164 H320 N8 O52 -","4","1","KA1189","Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G.","11,12,4''-Tri-<i>O</i>-methylazithromycin Monohydrate","Acta Crystallographica Section C","1996","52","10","2566","2568","10.1107/S0108270196005409","","","1.54178","CuKα","","0.1602","0.0624","","0.2176","0.1758","","","","0.952","1.316","1.316","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005523","10.175","0.008","14.146","0.014","39.575","0.035","90","","90","","90","","5696","9","153","2","153","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(bis(1,10-phenanthroline)cyanocopper(II) isothiocyanate) Phenanthroline Pentahemihydrate","","- C64 H51 Cu2 N14 O5.5 S2 -","- C64 H51 Cu2 N14 O5.5 S2 -","- C256 H204 Cu8 N56 O22 S8 -","4","1","KA1199","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.","Cyanobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Isothiocyanate‒Phenanthroline‒Water (2/1/5.5)","Acta Crystallographica Section C","1996","52","10","2406","2409","10.1107/S0108270196006993","","","0.71069","MoKα","","0.1001","0.0673","","0.2088","0.1635","","","","0.99","1.018","1.018","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005524","9.18","0.0009","7.344","0.0007","25.385","0.003","90","0.02","91.22","0.02","90","0.02","1711","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-amidyl-3-metoxy-2-nitroso-acrylonitrile)-bipyridine- dicyanamidecopper(II)","","- C16 H12 Cu N8 O2 -","- C16 H12 Cu N8 O2 -","- C64 H48 Cu4 N32 O8 -","4","1","KA1203","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L.","Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-<i>N</i>^2^,<i>N</i>^3^)(bipyridine-<i>N</i>,<i>N</i>')(dicyanamido-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","10","2409","2412","10.1107/S0108270196009766","","","0.71069","MoKα","","0.1176","0.0436","","0.1078","0.0905","","","","0.929","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005525","21.094","0.004","10.022","0.003","17.293","0.004","90","","90.18","0.02","90","","3655.8","1.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-[3,4-Dihydro-2-(5-methoxyphenyl)-2H-pyrrolo)[60]fullerene","","- C70 H9 N O S2 -","- C70 H9 N O S2 -","- C280 H36 N4 O4 S8 -","4","1","KA1208","Ramm, M.; Luger, P.; Averdung, J.; Mattay, J.","1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2<i>H</i>-pyrrolo][60]fullerene Carbon Disulfide","Acta Crystallographica Section C","1996","52","10","2590","2594","10.1107/S0108270196009742","","","1.54178","CuKα","","0.1","0.0451","","0.1211","0.1094","","","","0.881","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005526","12.909","0.003","8.174","0.002","11.302","0.002","90","","94.82","0.03","90","","1188.3","0.5","296","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cl4 -","- C12 H6 Cl4 -","- C48 H24 Cl16 -","4","0.5","KH1067","Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L.","2,2',5,5'-Tetrachlorobiphenyl (PCB 52)","Acta Crystallographica Section C","1996","52","10","2582","2583","10.1107/S0108270196006555","","","0.71073","MoKα","","","0.077","","","0.094","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005527","9.324","0.003","16.59","0.005","18.978","0.002","90","","90.39","0.02","90","","2935.5","1.3","293","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-chloro-μ-hydroxybis{dichloro bis(tetrahydrofuran)vanadium(III)} tetrahydrofuran solvate","","- C20 H41 Cl5 O6 V2 -","- C20 H41 Cl5 O6 V2 -","- C80 H164 Cl20 O24 V8 -","4","1","KH1082","M. Kondo; T. Ohrui; S. Kawata; S. Kitagawa","A Divanadium(III) Complex Bridged by Cl^{-^} and OH^{-^} Anions","Acta Crystallographica Section C","1996","52","10","2448","2450","10.1107/S0108270196006543","","","0.7107","MoKα","","","0.047","","","0.032","","","","","1.8","1.8","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005528","10.387","0.007","10.63","0.01","8.016","0.008","111.76","0.08","103.34","0.07","104.2","0.07","744.3","1.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","1","0.5","KH1083","Qiu, P.; Guo, G.; Huang, X.","A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~","Acta Crystallographica Section C","1996","52","10","2484","2486","10.1107/S0108270196007275","","","0.71073","MoKα","","","0.05","","","0.054","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005529","6.271","0.001","6.376","0.001","8.169","0.001","96.45","0.01","103.86","0.01","103.87","0.01","302.84","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- As2 Ga K O7 -","- As2 Ga K O7 -","- As4 Ga2 K2 O14 -","2","1","KH1086","Lin, K.-J.; Lii, K.-H.","KGaAs~2~O~7~","Acta Crystallographica Section C","1996","52","10","2387","2389","10.1107/S0108270196005112","","","0.71069","MolybdenumKα","","0.037","0.033","","0.041","0.041","","","","","2.43","2.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005530","6.663","0.002","6.861","0.003","15.721","0.002","93.16","0.03","94.31","0.02","111.13","0.03","665.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-tetraaquobis(tricyanomelamine)cobalt(II) hexahydrate","","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","1","0.5","KH1099","Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R.","<i>trans</i>-Tetraaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyanomelamine)cobalt(II) Hexahydrate","Acta Crystallographica Section C","1996","52","10","2427","2429","10.1107/S0108270196006488","","","1.5418","CuKα","","0.0357","0.0355","","0.1006","0.1004","","","","1.084","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005531","10.598","0.002","9.184","0.002","16.683","0.003","90","0.01","108.39","0.02","90","0.01","1540.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid","","- C17 H20 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","LI1144","Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.","(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder","Acta Crystallographica Section C","1996","52","10","2507","2510","10.1107/S0108270196005586","","","1.5418","CuKα","","0.1535","0.1052","","0.4178","0.2897","","","","1.197","1.119","1.119","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005532","11.353","0.001","9.586","0.001","14.095","0.001","90","0.01","97.36","0.01","90","0.01","1521.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methoxy-2-(4,4-dimethyl-2-oxo-butan-1-ol)-1-naphthoic-acid-lactone","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","LI1147","Nayak, N. P.; Mukherjee, A. K.; Mukherjee, M.","2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4-methoxy-1-naphtholactone","Acta Crystallographica Section C","1996","52","10","2510","2512","10.1107/S0108270196005574","","","0.7093","MoKα","","0.0578","0.0466","","0.1273","0.1201","","","","1.038","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005533","6.124","0.002","8.407","0.003","10.277","0.003","90","","90","0.03","90","","529.1","0.3","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","NA1217","Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M.","(<i>S</i>)-(+)-Homoterpenyl Methyl Ketone","Acta Crystallographica Section C","1996","52","10","2629","2631","10.1107/S0108270196005549","","","1.54184","CuKα","","","0.042","","","0.0487","","","","","1.3698","1.3698","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005534","6.08","0.002","13.552","0.004","13.882","0.007","90","","96.62","0.02","90","","1136.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrodipentalenyliron","Dihydrodipentalenyliron","","- C16 H14 Fe -","- C14.925 H13.058 Fe -","- C59.7 H52.232 Fe4 -","4","1","NA1230","Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L.","Bis(η^5^-hydropentalenyl)iron","Acta Crystallographica Section C","1996","52","10","2414","2416","10.1107/S0108270196005872","","","0.70926","MoKα","","0.0498","0.0303","","0.0908","0.081","","","","0.968","1.005","1.005","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005535","8.127","0.001","6.985","0.001","9.306","0.002","90","","97.2","0.01","90","","524.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C11 H11 F N2 S -","- C11 H11 F N2 S -","- C22 H22 F2 N4 S2 -","2","0.5","NA1235","Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.","1-Fluoromethyl-1-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2531","2533","10.1107/S0108270196006026","","","0.71073","MoKα","","0.0369","0.0321","","0.0894","0.0844","","","","1.09","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005536","12.314","0.001","12.425","0.001","14.855","0.005","90","","90","","90","","2272.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C88 H120 N8 O20 -","4","1","NA1237","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Chiral Hydroxylamines. II. (1<i>R</i>,2<i>R</i>)-<i>N</i>-Benzyl-<i>N</i>-[(3-<i>tert</i>-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine","Acta Crystallographica Section C","1996","52","10","2536","2538","10.1107/S0108270196005185","","","0.71073","MoKα","","0.0387","0.0375","","0.1049","0.103","","","","1.045","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005537","7.016","0.002","13.603","0.002","11.551","0.002","90","","107.16","0.01","90","","1053.3","0.4","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(Thiourea)cadmium perrhenate","","- C4 H16 Cd N8 O8 Re2 S4 -","- C4 H16 Cd N8 O8 Re2 S4 -","- C8 H32 Cd2 N16 O16 Re4 S8 -","2","0.5","NA1239","Petrova, R.; Angelova, O.; Bakardjieva, S.; Macícek, J.","Molecular Adducts of Inorganic Salts. VII. Cd(ReO~4~)~2~.4tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","10","2432","2434","10.1107/S0108270196007093","","","0.71073","MoKα","","0.031","0.024","","0.035","0.032","","","","0.946","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005538","8.281","0.002","20.914","0.004","9.549","0.002","90","","97.46","0.02","90","","1639.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Ditrifluoromethylphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C17 H10 F6 N2 S -","- C17 H10 F6 N2 S -","- C68 H40 F24 N8 S4 -","4","1","NA1245","Bruno, G.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.; Zappalá, M.","1-[3,5-Bis(trifluoromethyl)phenyl]-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2533","2535","10.1107/S0108270196006476","","","0.71073","MoKα","","0.0615","0.0377","","0.086","0.0703","","","","0.964","0.964","0.964","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005539","8.707","0.001","9.313","0.001","19.869","0.001","90","","90","","90","","1611.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-Benzamido-2-methoxycarbonylcyclohexan-5-one-1-carboxylic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","NA1251","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton","Acta Crystallographica Section C","1996","52","10","2641","2644","10.1107/S0108270196008712","","","0.71069","MoKα","","0.0346","0.0321","","0.0871","0.0848","","","","1.063","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005540","11.344","0.002","11.344","0.002","4.75","0.002","90","","90","","120","","529.4","0.3","293","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Ge4 O9 Sr -","- Ge4 O9 Sr -","- Ge12 O27 Sr3 -","3","0.5","OH1096","Nishi, F.","Strontium Tetragermanate, SrGe~4~O~9~","Acta Crystallographica Section C","1996","52","10","2393","2395","10.1107/S0108270196006737","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005541","5.5464","0.00013","10.472","0.0003","3.87959","0.00008","90","","90","","90","","225.334","0.01","296","","296","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0171","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005542","5.53528","0.00014","10.449","0.0003","3.87265","0.00008","90","","90","","90","","223.987","0.01","10","","10","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0263","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005543","11.23","0.03","9.66","0.03","8.89","0.03","90","","98.2","0.03","90","","955","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(pentafluoro-phenyl)-trifluoro-acetamide","","- C8 H F8 N O -","- C8 H F8 N O -","- C32 H4 F32 N4 O4 -","4","1","PA1226","Mahoui, A.; Lapasset, J.; Moret, J.","α,α,α,2,3,4,5,6-Octafluoroacetanilide","Acta Crystallographica Section C","1996","52","10","2583","2585","10.1107/S0108270196005689","","","1.5418","CuKα","","0.0561","0.0476","","0.1234","0.1205","","","","1.078","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005544","7.948","0.005","10.902","0.002","8.22","0.005","90","","106.43","0.03","90","","683.2","0.6","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α,3α,7β,8β-diépoxy-trans-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1232","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,8β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1996","52","10","2502","2504","10.1107/S0108270196005768","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.6","0.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005545","8.537","0.002","8.221","0.002","10.364","0.002","90","","104.31","0.02","90","","704.8","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α ,3α ,6α ,7α-diépoxyhimachalane","","- C15 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","PA1235","Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A.","2α,3α:6α,7α-Diépoxyhimachalane","Acta Crystallographica Section C","1996","52","10","2504","2507","10.1107/S0108270196005756","","","1.5418","CuKα","","","0.059","","","0.07","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005546","10.566","0.001","7.88","0.001","11.572","0.001","90","","99.18","0.01","90","","951.15","0.17","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,4,6-triphenyl pyran-3,5-dicarboxaldehyde","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","PA1236","Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.","2,4,6-Triphenyl-4<i>H</i>-pyran-3,5-dicarboxaldehyde","Acta Crystallographica Section C","1996","52","10","2599","2601","10.1107/S0108270196006798","","","0.71073","MoKα","","","0.0377","","","0.0446","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005547","5.8088","0.0003","17.976","0.002","18.213","0.002","90","","90","","90","","1901.8","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-tert-butoxy-4(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undean-2β- carboxylic Acid Methyl Ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","SK1014","Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X.","Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-<i>tert</i>-Butoxy-4-(<i>E</i>)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","10","2597","2599","10.1107/S0108270196006270","","","0.71073","MoKα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2005548","9.973","0.001","10.741","0.001","27.527","0.003","90","","90","","90","","2948.7","0.5","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2aS,3S,6S,7S,7bR)-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-8- [(dimethylphenyl)silyl]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a- azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester","","- C31 H39 N O7 Si -","- C31 H39 N O7 Si -","- C124 H156 N4 O28 Si4 -","4","1","SK1015","Thorarensen, A.; Swiss, K. A.; Denmark, S. E.","(2a<i>S</i>,3<i>S</i>,6<i>S</i>,7<i>S</i>,7b<i>R</i>)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1<i>R</i>,2<i>S</i>)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2<i>H</i>-1,4,5-trioxa-4a-azacyclopenta[<i>cd</i>]indene-3-carboxylic Acid 1-Methylethyl Ester","Acta Crystallographica Section C","1996","52","10","2558","2561","10.1107/S0108270196005434","","","0.71073","MoKα","","0.1905","0.0905","","0.1653","0.1245","","","","1.116","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005549","16.68","0.001","8.886","0.001","8.054","0.001","90","","90","","90","","1193.8","0.2","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","diethyl 2,5-dihydroxyterephthalate","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","SK1017","Näther, C.; Bock, H.; Seitz, W.; Nagel, N.","Diethyl 2,5-Dihydroxyterephthalate at 200K","Acta Crystallographica Section C","1996","52","10","2631","2633","10.1107/S0108270196005306","","","0.71073","MoKα","","0.0575","0.0377","","0.1185","0.1066","","","","1.04","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005550","7.912","0.004","10.307","0.005","11.533","0.009","69.09","0.04","87.72","0.03","84.06","0.06","873.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium salt of benzene-1,2,4,5-tetracarboxylic acid","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C40 H28 N4 O16 -","2","1","SK1020","Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D.","Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid)","Acta Crystallographica Section C","1996","52","10","2538","2541","10.1107/S0108270196003940","","","0.71073","MoKα","","0.0993","0.0434","","0.125","0.1032","","","","1.008","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005551","7.135","0.001","8.338","0.002","10.089","0.002","80.53","0.03","71.16","0.03","67.56","0.03","524.5","0.2","293","2","153","1","","","","","","","","5","P -1","-P 1","2","","Tetraaqua(orotato)magnesium(II) Hydrate","","- C5 H12 Mg N2 O9 -","- C5 H12 Mg N2 O9 -","- C10 H24 Mg2 N4 O18 -","2","1","SK1023","Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U.","Triclinic Form of Tetraaqua(orotato-<i>N</i>,<i>O</i>)magnesium(II) Hydrate at 153K","Acta Crystallographica Section C","1996","52","10","2480","2482","10.1107/S0108270196006567","","","0.71073","MoKα","","0.0334","0.0328","","0.0859","0.0855","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005552","11.852","0.004","15.559","0.003","11.254","0.004","98.3","0.02","115.7","0.03","89.4","0.02","1847.3","1.1","150","2","150","","","","","","","","","4","P -1","-P 1","2","","diethylgallium","","- C44 H46 Ga2 O2 -","- C44 H46 Ga2 O2 -","- C88 H92 Ga4 O4 -","2","1","SK1027","Webster, M.; Browning, D. J.; Corker, J. M.","Bis[(μ-2,6-diphenylphenoxido-<i>O</i>:<i>O</i>)diethylgallium]","Acta Crystallographica Section C","1996","52","10","2439","2441","10.1107/S010827019600755X","","","0.71069","MoKα","","0.0409","0.0313","","0.091","0.0844","","","","0.985","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005553","8.7043","0.001","14.988","0.002","5.5288","0.0006","93.431","0.011","99.22","0.009","100.388","0.01","697.37","0.15","150","2","150","","","","","","","","","4","P -1","-P 1","2","","Bis(1,2-bis(n-butylthioethylene)-1,2-dithiolato-S,S')-nickel","","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","1","0.5","SK1028","Charlton, A.; Kilburn, J. D.; Underhill, A. E.; Webster, M.","A Second Triclinic Polymorph of Bis[1,2-bis(<i>n</i>-butylthio)ethylene-1,2-dithiolato-<i>S</i>,<i>S</i>']nickel","Acta Crystallographica Section C","1996","52","10","2441","2442","10.1107/S010827019600769X","","","0.71069","MoKα","","0.0578","0.0343","","0.1047","0.089","","","","1.067","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005554","20.753","0.007","4.017","0.001","17.476","0.003","90","","93.25","0.02","90","","1454.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","furylbenzothiazol","3,4-bis-(2-benzothiazolyl)furan","","- C18 H10 N2 O S2 -","- C18 H10 N2 O S2 -","- C72 H40 N8 O4 S8 -","4","1","SK1029","Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L.","3,4-Bis(1,3-benzothiazol-2-yl)furan","Acta Crystallographica Section C","1996","52","10","2541","2543","10.1107/S0108270196005446","","","0.7107","MoKα","","0.0448","0.044","","0.1088","0.1079","","","","1.036","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005555","18.616","0.003","18.616","0.003","7.448","0.001","90","","90","","90","","2581.1","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","tetrakis(N-methylimdazole)zinc(II) perchlorate","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","0.25","SK1031","Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y.","Tetrakis(1-methylimidazole-<i>N</i>^3^)zinc(II) Diperchlorate","Acta Crystallographica Section C","1996","52","10","2482","2484","10.1107/S0108270196007706","","","0.71069","MoKα","","0.0587","0.0534","","0.1509","0.1454","","","","1.112","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005556","10.388","0.002","16.781","0.007","11.234","0.002","90","","115.6","0.02","90","","1766.1","0.9","138","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H30 O2 Te6 Ti6 -","- C30 H30 O2 Te6 Ti6 -","- C60 H60 O4 Te12 Ti12 -","2","0.5","SZ1028","Gindelberger, D. E.","[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]","Acta Crystallographica Section C","1996","52","10","2493","2495","10.1107/S0108270196004854","","","0.71073","MoKα","","","0.0318","","","0.0373","","","","","1.543","1.543","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005557","7.1195","0.0006","9.5287","0.0008","12.3059","0.0008","82.08","0.007","75.48","0.006","76.48","0.007","782.98","0.11","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","2","AB1365","Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.","2-Hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1996","52","11","2896","2899","10.1107/S0108270196007664","","","0.71073","MoKα","","","0.0424","","0.1258","0.1258","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005558","39.326","0.005","5.988","0.001","15.109","0.003","90","","92.21","0.01","90","","3555.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 Ni O S -","- C22 H16 N2 Ni O S -","- C176 H128 N16 Ni8 O8 S8 -","8","1","AB1375","Elerman, Y.; Svoboda, I.","[<i>N</i>-(2-Mercaptophenyl)-2-hydroxynaphthaldiminato](pyridine)nickel(II)","Acta Crystallographica Section C","1996","52","11","2705","2707","10.1107/S0108270196008281","","","0.71069","MoKα","","0.043","0.026","","0.07","0.064","","","","1.029","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005559","13.907","0.001","14.476","0.001","17.174","0.001","80.993","0.005","87.729","0.004","74.382","0.005","3288.7","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 S8 -","- C74 H72 S8 -","- C148 H144 S16 -","2","1","AB1379","Downing, G. A.; MacNicol, D. D.; Mallinson, P. R.; Milligan, P. K.","Octakis(3,5-dimethylphenylthio)naphthalene","Acta Crystallographica Section C","1996","52","11","2887","2889","10.1107/S0108270196007299","","","0.71069","MoKα","","","0.042","","","0.063","","","","","0.67","0.67","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005560","8.304","0.003","11.163","0.005","11.802","0.006","102.08","0.03","98.93","0.03","109.48","0.02","978","0.8","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","3-(di-isopropylamino)prop-2-enal","","- C9 H17 N O -","- C9 H15.588 N O -","- C36 H62.352 N4 O4 -","4","2","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0897","0.0638","","0.1844","0.1598","","","","0.984","1.021","1.021","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005561","8.3438","0.0008","14.8912","0.0015","15.5405","0.0013","90","","90","","90","","1930.9","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","1","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0584","0.0345","","0.1229","0.0773","","","","1.034","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005562","12.274","0.001","8.086","0.001","19.097","0.002","90","","108.24","0.01","90","","1800.1","0.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","AB1385","Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N.","Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1996","52","11","2890","2891","10.1107/S0108270196008189","","","0.71073","MoKα","","","0.0425","","","0.0433","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005563","12.175","0.002","3.845","0.002","22.715","0.001","90","","92.37","0.04","90","","1062.4","0.6","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 Cu2 N2 O4 -","- C22 H20 Cl2 Cu2 N2 O4 -","- C44 H40 Cl4 Cu4 N4 O8 -","2","0.5","AB1386","Tahir, M. N.; Ülkü, D.; Atakol, O.; Akay, A.","Bis[4-(5-chloro-2-hydroxyphenylimino-<i>N</i>,<i>O</i>:<i>O</i>)-2-penten-2-olato(2‒)-<i>O</i>]dicopper(II)","Acta Crystallographica Section C","1996","52","11","2676","2678","10.1107/S0108270196008529","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005564","8.021","0.002","16.864","0.003","8.311","0.002","90","","90","","90","","1124.2","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-((μ~2~-succinato)(diethylenetriamine)copper(II))","","- C8 H17 Cu N3 O4 -","- C8 H17 Cu N3 O4 -","- C32 H68 Cu4 N12 O16 -","4","0.5","AB1387","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","<i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","1996","52","11","2689","2691","10.1107/S0108270196008505","","","0.71069","MoKα","","0.0414","0.0279","","0.089","0.0685","","","","1.163","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005565","26.542","0.004","10.089","0.001","20.922","0.003","90","","133.07","0.02","90","","4092.8","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-(2-Nitrophenyl)-3,3',6,6'-tetramethylhexahydroacridin-1,8-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","AB1390","Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W.","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","11","2811","2814","10.1107/S0108270196008530","","","0.71069","MoKα","","0.1022","0.0625","","0.2188","0.1722","","","","0.996","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005566","11.568","0.002","13.156","0.003","15.387","0.005","78.54","0.03","80.39","0.02","81.39","0.02","2246.3","1","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","3-Chloro-3,3-bis(triphenylphosphine)-1,2-dicarba-3-rhoda-closo-dodecaborane 1.1(dichloromethane) solvate","","- C39.1 H43.2 B9 Cl3.2 P2 Rh -","- C38 H41 B9 Cl P2 Rh -","- C76 H82 B18 Cl2 P4 Rh2 -","2","1","AB1408","Ferguson, G.; McEneaney, P. A.; Spalding, T. R.","3-Chloro-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane‒ Dichloromethane (1/1.1)","Acta Crystallographica Section C","1996","52","11","2710","2713","10.1107/S010827019600950X","","","0.7107","MolybdenumKα","","0.1458","0.061","","0.1364","0.1219","","","","0.852","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005567","6.222","0.002","9.778","0.002","5.966","0.002","102.83","0.02","108.44","0.02","96.57","0.02","328.97","0.18","291","","291","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","1","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","0","0.039","","","0.046","","","","","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005568","8.807","0.003","11.447","0.003","10.644","0.003","90","","98.54","0.03","90","","1061.2","0.6","291","","291","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 F6 -","- C10 H14 F6 -","- C20 H28 F12 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005569","6.808","0.001","10.747","0.002","7.929","0.001","90","","102.4","0.01","90","","566.6","0.15","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 F8 -","- C10 H12 F8 -","- C20 H24 F16 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.008","1.008","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005570","21.803","0.002","12.319","0.002","7.898","0.002","90","0.02","92.11","0.02","90","0.02","2119.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","praseodymium(III)tris(2,6-difluorobenzoate)monohydrate","catena-poly[aquapraseodymium(III)-μ2$-2,6-difluorobenzoato-O,O'- μ2$-2,6-difluorobenzoato-Prκ2$O,O',Pr'κO-μ2$-2,6-difluoro benzoato-PrκO,O',Pr''kappaO]","","- C21 H11 F6 O7 Pr -","- C21 H11 F6 O7 Pr -","- C84 H44 F24 O28 Pr4 -","4","1","BK1180","Karipides, A. G.; Jai-nhuknan, J.; Cantrell, J. S.","Aquatris(2,6-difluorobenzoato)praseodymium(III)","Acta Crystallographica Section C","1996","52","11","2740","2742","10.1107/S0108270196008852","","","0.71069","MoKα","","0.0391","0.0316","","0.0834","0.0757","","","","1.148","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005571","9.962","0.002","11.4","0.003","11.897","0.002","83.93","0.02","87.19","0.02","86.95","0.02","1340.3","0.5","294","","294","","","","","","","","","4","P -1","-P 1","2","","Tris(2-(2-methoxyethoxy)phenyl)phosphine oxide monohydrate","","- C27 H35 O8 P -","- C29 H40 O9 P -","- C58 H80 O18 P2 -","2","1","BK1225","Livant, P. D.; Mao, J.; Webb, T. R.","Tris[2-(2-methoxyethoxy)phenyl]phosphine Oxide Monohydrate","Acta Crystallographica Section C","1996","52","11","2924","2927","10.1107/S0108270196008906","","","0.71073","MoKα","","0.06","0.0516","","0.0881","0.0843","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005572","7.755","0.006","15.352","0.004","13.508","0.009","90","","95.73","0.06","90","","1600.2","1.7","211","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1:1) p-nitroaniline/3,5-dinitromethyl salicylate co-crystal","","- C14 H12 N4 O9 -","- C14 H12 N4 O9 -","- C56 H48 N16 O36 -","4","1","BK1232","Huang, K.-S.; Britton, D.; Etter, M. C.","<i>p</i>-Nitroaniline‒3,5-Dinitromethyl Salicylate (1:1) Co-Crystal","Acta Crystallographica Section C","1996","52","11","2868","2871","10.1107/S0108270196008864","","","0.71073","MoKα","","","0.051","","","0.067","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005573","19.05","0.002","8.9927","0.0008","10.418","0.002","90","","101.05","0.01","90","","1751.6","0.4","295","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Triphenylphosphinecarbomethoxymethylene","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C84 H76 O8 P4 -","4","1","BK1237","Boyle, P. D.","Methyl Triphenylphosphoranylideneacetate: a Redetermination","Acta Crystallographica Section C","1996","52","11","2859","2861","10.1107/S0108270196007561","","","0.71069","MolybdenumKα","","0.042","0.042","","0.051","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005574","9.634","0.003","6.5478","0.0008","8.474","0.001","90","","98.86","0.02","90","","528.17","0.19","190","","190","","","","","","","","","3","P 1 2/m 1","-P 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","1","BK1244","Pinkerton, A. A.; le Drian, C.; Vogel, P.","Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K","Acta Crystallographica Section C","1996","52","11","2927","2929","10.1107/S010827019600889X","","","0.7093","MoKα","","0.035","0.032","","","0.051","","","","","2.81","2.81","","","","","has coordinates","198533","2020-10-21","18:00:00",""
"2005575","10.513","0.003","11.182","0.002","11.206","0.002","90","","97.18","0.02","90","","1307","0.5","294.2","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 S2 -","- C12 H18 N2 S2 -","- C48 H72 N8 S8 -","4","1","BK1249","Fleming, F. F.; Hussain, Z.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","(8<i>R</i>,8a<i>S</i>)-Indolizidine-1-spiro-2'-(1',3'-dithiane)-8-carbonitrile","Acta Crystallographica Section C","1996","52","11","2849","2851","10.1107/S0108270196007548","","","0.7107","MoKα","","","0.06","","","0.076","","","","","1.92","1.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005576","5.58","0.001","4.916","0.001","30.174","0.002","90","","91.74","0.02","90","","827.3","0.2","153","","153","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-naphthoic acid","naphthalene-2-carboxylic acid","","- C11 H8 O2 -","- C11 H9 O2 -","- C44 H36 O8 -","4","1","BK1253","Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E.","2-Naphthoic Acid at 153K","Acta Crystallographica Section C","1996","52","11","2862","2864","10.1107/S0108270196008876","","","0.71073","MoKα","","","0.039","","","0.047","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005577","10.066","0.0007","13.753","0.0014","14.729","0.002","66.52","0.02","80.5","0.012","75.87","0.014","1808.4","0.4","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","Chloro-(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","","- C37.45 H46.9 Cl3.9 Ga N4 -","- C37.449 H44 Cl3.898 Ga N4 -","- C74.898 H88 Cl7.796 Ga2 N8 -","2","1","BK1254","Brancato-Buentello, K. E.; Coutsolelos, A. G.; Scheidt, W. R.","Chloro(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","Acta Crystallographica Section C","1996","52","11","2707","2710","10.1107/S0108270196008116","","","0.71073","MoKα","","0.1384","0.0767","","0.1884","0.1501","","","","1.025","1.047","1.047","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2005578","8.615","0.001","9.954","0.001","29.684","0.002","90","","90","","90","","2545.5","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C120 H80 N16 O24 -","8","1","BK1280","Powell, D. R.; Hanson, P. E.; Gellman, S. H.","(<i>Z</i>)-2-(Benzoyl-<i>aci</i>-nitro)-2-phenylacetonitrile","Acta Crystallographica Section C","1996","52","11","2945","2946","10.1107/S0108270196010827","","","1.54178","CuKα","","0.0398","0.037","","0.104","0.102","","","","1.095","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005579","14.5086","0.0015","34.527","0.003","3.891","0.0008","90","","91.61","0.01","90","","1948.4","0.5","294","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H15 N5 O4.5 S -","- C19.5 H13 N5 O4.43 S -","- C78 H52 N20 O17.72 S4 -","4","1","BM0002","Zhu, Y.; Liu, B.; Guo, Q.-X.; Liu, Y.-C.","(2,4-Dinitrophenyl)(10-methyl-3-phenothiazinyl)diazene Hemimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2789","2791","10.1107/S0108270196007597","","","1.54184","CuKα","","","0.075","","","0.075","","","","","1.528","1.528","","","","","has coordinates","191871","2020-10-21","18:00:00",""
"2005580","9.733","0.001","10.601","0.006","13.835","0.004","93.56","0.02","94.94","0.02","94.31","0.03","1414.8","0.9","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 N4 P Pd S2 -","- C29 H23 N4 P Pd S2 -","- C58 H46 N8 P2 Pd2 S4 -","2","1","BM1065","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.","(Dimercaptomethylenepropanedinitrilato-<i>S</i>,<i>S</i>')(pyridine)(triphenylphosphine)palladium(II)‒Acetonitrile (1/1)","Acta Crystallographica Section C","1996","52","11","2724","2726","10.1107/S0108270196004040","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005581","4.81","0.003","11.175","0.005","10.887","0.005","90","","102.41","0.04","90","","571.5","0.5","300","1","300","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ammonium D,L-glycerate","ammonium D,L-glycerate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.1209","0.0418","","0.1127","0.0957","","","","1.048","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005582","4.79","0.002","10.506","0.006","10.851","0.006","90","","103.69","0.05","90","","530.5","0.5","290","1","290","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium D,L-glycerate","potassium D,L-glycerate","","- C3 H5 K O4 -","- C3 H5 K O4 -","- C12 H20 K4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.0337","0.0337","","0.0889","","","","","1.089","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005583","5.099","0.004","11.498","0.009","8.728","0.008","90","","104.44","0.06","90","","495.5","0.7","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lithium D,L-glycerate","lithium D,L-glycerate","","- C3 H5 Li O4 -","- C3 H5 Li O4 -","- C12 H20 Li4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.05","0.0324","","0.0984","0.0907","","","","1.048","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005584","5.974","0.0004","8.2261","0.0007","40.685","0.004","90","","90","","90","","1999.4","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Phenylindazole","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","1","BM1080","Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.","5-Phenylindazole","Acta Crystallographica Section C","1996","52","11","2894","2896","10.1107/S0108270196007068","","","1.5418","CuKα","","0.065","0.038","","0.057","0.044","","","","0.456","0.424","0.424","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005585","5.395","0.003","5.742","0.002","11.428","0.004","82.06","0.03","87.64","0.04","83.32","0.04","348.1","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","sodium hydrogen bis(phosphoenolpyruvate) dihydrate","","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","1","0.5","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.031","0.0265","","0.0765","0.0741","","","","1.095","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005586","11.927","0.007","6.803","0.004","17.215","0.011","90","","101.91","0.05","90","","1366.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","potassium hydrogen bis(phosphoenolpyruvate)","","- C6 H9 K O12 P2 -","- C6 H9 K O12 P2 -","- C24 H36 K4 O48 P8 -","4","1","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.0832","0.0361","","0.1086","0.0954","","","","1.011","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005587","7.134","0.001","12.152","0.002","13.304","0.001","90","","90","","90","","1153.4","0.3","293","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","2","","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","","","","","","","","","","","","","","","","","","","has coordinates","175355","2020-10-21","18:00:00",""
"2005588","7.166","0.002","35.909","0.01","6.982","0.002","90","","109.79","0.03","90","","1690.5","0.9","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Maltol","","","- C6 H6 O3 -","- C6 H6 O3 -","- C72 H72 O36 -","12","3","BM1083","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4<i>H</i>-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","1.54178","CuKα","","0.0581","0.0434","","0.1274","0.1151","","","","1.071","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005589","23.826","0.007","10.098","0.004","9.881","0.004","90","","90","","90","","2377.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.","","- C21 H31 N O8 S -","- C21 H31 N O8 S -","- C84 H124 N4 O32 S4 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.0693","0.0313","","0.0603","0.0497","","","","0.749","0.904","0.904","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005590","17.339","0.004","16.43","0.005","7.222","0.003","90","","90","","90","","2057.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.","","- C19 H28 O8 -","- C19 H28 O8 -","- C76 H112 O32 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.092","0.0284","","0.0508","0.0409","","","","0.638","0.797","0.797","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005591","13.495","0.001","9.666","0.01","19.718","0.001","90","","109.108","0.005","90","","2430","3","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 N O3 Sn -","- C25 H29 N O3 Sn -","- C100 H116 N4 O12 Sn4 -","4","1","BM1087","Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.","An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone","Acta Crystallographica Section C","1996","52","11","2747","2750","10.1107/S0108270196009286","","","0.71073","MoKα","","0.0338","0.0249","","0.0689","0.0586","","","","1.071","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005592","5.428","0.002","9.747","0.003","16.115","0.002","90","","94.336","0.004","90","","850.2","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ag2 N4 O12 -","- C14 H6 Ag2 N4 O12 -","- C28 H12 Ag4 N8 O24 -","2","0.5","BM1093","Ülkü, D.; Tahir, M. N.; Movsumov, E. M.","Poly[bis(3,5-dinitrobenzoato-<i>O</i>^1^:<i>O</i>^2^)disilver(I)-<i>O</i>^2^:<i>Ag</i>;<i>Ag</i>':<i>O</i>^2'^]","Acta Crystallographica Section C","1996","52","11","2678","2680","10.1107/S0108270196009298","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005593","3.7491","0.0003","3.7491","0.0003","10.4122","0.0004","90","","90","","90","","146.351","0.017","292","","292","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C B2 Gd Rh2 -","- C B2 Gd Rh1.868 -","- C2 B4 Gd2 Rh3.736 -","2","0.0625","BR1145","Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T.","A New Quaternary Borocarbide, GdRh~2~B~2~C","Acta Crystallographica Section C","1996","52","11","2652","2655","10.1107/S010827019600724X","","","0.7107","MoKα","","","0.025","","","0.023","","","","","1.45","1.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005594","10.259","0.006","6.94","0.004","12.175","0.007","90","","106.764","0.007","90","","830","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipotassium diberyllium trisilicate","","","- Be2 K2 O9 Si3 -","- Be2 K2 O9 Si3 -","- Be8 K8 O36 Si12 -","4","1","BR1147","Bu, X.; Gier, T. E.; Stucky, G. D.","K~2~Be~2~Si~3~O~9~, a Potassium Beryllium Silicate Framework Built from Edge-Sharing Be‒O Tetrahedra and Three-Ring Silicate Tetrahedra","Acta Crystallographica Section C","1996","52","11","2662","2664","10.1107/S0108270196007378","","","0.7093","MolybdenumKα","","0.0361","0.0329","","0.099","0.0973","","","","1.206","1.239","1.239","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005595","9.2943","0.0011","11.6858","0.001","31.698","0.002","90","","90","","90","","3442.8","0.5","296","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)","","- C18 H22 N2 Ni O2 -","- C18 H22 N2 Ni O2 -","- C144 H176 N16 Ni8 O16 -","8","1","CF1069","Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.","(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2‒)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","1996","52","11","2682","2684","10.1107/S010827019600964X","","","0.71073","MoKα","","","0.065","","","0.085","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005596","15.265","0.003","11.115","0.002","10.178","0.002","90","","109.7","0.01","90","","1625.8","0.5","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pt(2,9-dimethyl-1,10-phenantroline)(CN)~2~(ethylene)","","- C18 H16 N4 Pt -","- C18 H16 N4 Pt -","- C72 H64 N16 Pt4 -","4","0.5","CF1071","Tuzi, A.; Panunzi, B.","Dicyano(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(η^2^-ethene)platinum(II)","Acta Crystallographica Section C","1996","52","11","2745","2747","10.1107/S0108270196009651","","","0.71073","MoKα","","0.026","0.019","","","0.028","","","","","1.093","1.093","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005597","20.977","0.004","8.943","0.002","25.504","0.005","90","","90","","90","","4784.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole","","- C22 H23 Cl N4 O S3 -","- C22 H23 Cl N4 O S3 -","- C176 H184 Cl8 N32 O8 S24 -","8","1","CF1083","Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.","A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties","Acta Crystallographica Section C","1996","52","11","2939","2941","10.1107/S0108270196007135","","","1.54178","CuKα","","0.0978","0.064","","0.209","0.1745","","","","1.043","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005598","4.634","0.001","13.069","0.004","15.832","0.005","90","","90","","90","","958.8","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","1","CF1085","Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.","<i>N</i>'-[Bis(methylthio)methylene]cyanoacetohydrazide","Acta Crystallographica Section C","1996","52","11","2941","2942","10.1107/S0108270196007147","","","1.54184","CuKα","","","0.039","","","0.05","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005599","7.611","0.003","20.972","0.01","10.312","0.004","90","","99.93","","90","","1621.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(p-diethylaminophenyl)-1,3-indandione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","CF1092","Khodorkovsky, V.; Mazor, R. A.; Ellern, A.","2-(<i>p</i>-Diethylaminobenzylidene)-1,3-indandione","Acta Crystallographica Section C","1996","52","11","2878","2880","10.1107/S0108270196007457","","","0.71073","MoKα","","0.1241","0.074","","0.2751","0.1898","","","","1.033","1.103","1.103","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005600","7.032","0.001","10.667","0.002","11.879","0.002","102.4","0.03","102.92","0.03","95.16","0.03","839.3","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-(N-benzoxy)imino-3,3-dihydro-2,2-dimethyl-6-nitro-2H-1-benzopyran","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","CF1093","Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L.","2,2-Dimethyl-6-nitro-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran-4-one <i>O</i>-Benzoyloxime","Acta Crystallographica Section C","1996","52","11","2920","2922","10.1107/S0108270196008475","","","0.71073","MolybdenumKα","","0.1234","0.0486","","","0.0556","","","","","1.6","1.6","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005601","10.362","0.002","14.463","0.002","15.209","0.002","90","","90","","90","","2279.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 Cl2 N2 O8 -","- C18 H34 Cl2 N2 O8 -","- C72 H136 Cl8 N8 O32 -","4","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.1315","0.0653","","0.1837","0.1534","","","","1.069","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005602","8.262","0.002","13.774","0.004","8.915","0.002","90","","92.49","0.02","90","","1013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 Cl N2 O6 -","- C18 H33 Cl N2 O6 -","- C36 H66 Cl2 N4 O12 -","2","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.0871","0.0357","","0.1371","0.0998","","","","1.125","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005603","6.728","0.002","7.94","0.007","25.085","0.009","90","","90","","90","","1340","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[1-[(4,5-dimethyl-2-aminophenyl)imino]ethyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","CF1102","Corden, J. P.; Bishop, P. R.; Errington, W.; Wallbridge, M. G. H.","2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol","Acta Crystallographica Section C","1996","52","11","2777","2779","10.1107/S0108270196007159","","","0.71073","MoKα","","0.051","0.0382","","0.1122","0.0831","","","","1.058","1.127","1.127","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005604","13.63","0.005","10.897","0.004","14.546","0.004","90","","90.08","0.03","90","","2160.5","1.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,3'-methylene[7-acetoxy-4-methyl-2H-1-benzopyran-2-one] [4''-methyl-2''H- 1''-pyran-2''-one(5',6':6'',5'')-2'H-1'-benzopyran-2'-one]","","- C26 H18 O8 -","- C26 H18 O8 -","- C104 H72 O32 -","4","1","CF1115","Jain, S. C.; Talwar, S.; Kumar, R.; Babu, B. R.; Errington, W.","The Acetyl Derivative of a Novel Fries Rearrangement Product","Acta Crystallographica Section C","1996","52","11","2775","2777","10.1107/S0108270196008487","","","0.71073","MoKα","","0.0952","0.0475","","0.1172","0.0954","","","","1.021","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005605","10.432","0.002","15.737","0.003","15.406","0.003","90","","96.57","0.02","90","","2512.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 B9 P S -","- C18 H38 B9 P S -","- C72 H152 B36 P4 S4 -","4","1","CF1127","Rosair, G. M.; Welch, A. J.; Weller, A. S.","9-Dicyclohexylphenylphosphino-<i>arachno</i>-6-thiadecaborane(11)","Acta Crystallographica Section C","1996","52","11","2851","2853","10.1107/S0108270196008244","","","0.71073","MoKα","","0.1839","0.0694","","0.188","0.1316","","","","0.995","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005606","10.933","0.002","6.4597","0.0014","5.6849","0.0009","90","","90","","90","","401.49","0.13","150","0.2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyl-1,3,4-triazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C12 H20 N12 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.0358","0.0352","","0.0904","0.0896","","","","1.124","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005607","5.578","0.002","6.324","0.002","10.799","0.006","90","","90","","90","","380.9","0.3","150","0.2","150","0.2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyltetrazole","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.036","0.0353","","0.0825","0.0817","","","","1.138","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005608","10.752","0.001","8.711","0.002","16.646","0.001","90","","94.4","0.1","90","","1554.5","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","DE1027","Lakshmi, S.; Kumar, S.; Senthilselvan, J.; Subramanian, K.","Dalspinosin","Acta Crystallographica Section C","1996","52","11","2873","2875","10.1107/S0108270196007652","","","0.71073","MoKα","","","0.0399","","","0.0998","","","","","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005609","5.184","0.001","15.569","0.002","10.053","0.0015","90","","93.64","0.02","90","","809.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2,1λ^5^-benzoxarsol-3-one monohydrate","","- C7 H7 As O4 -","- C7 H7 As O4 -","- C28 H28 As4 O16 -","4","1","DE1033","Hundal, M. S.; Hundal, G.; Parmar, S. S.","1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate","Acta Crystallographica Section C","1996","52","11","2726","2728","10.1107/S0108270196007640","","","0.71073","MoKα","","0.0807","0.0442","","0.1037","0.0901","","","","1.001","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005610","9.8597","0.0008","11.522","0.002","9.333","0.001","92.19","0.01","115.18","0.008","75.94","0.01","928.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate","","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","1","0.5","DU1132","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-aminophénylammonium) Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Hexaphosphate Dihydrate","Acta Crystallographica Section C","1996","52","11","2802","2805","10.1107/S0108270196003770","","","0.71069","MoKα","","0.0356","0.0295","","0.0806","0.0771","","","","1.082","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005611","10.8997","0.0007","10.8997","0.0007","42.817","0.004","90","","90","","90","","5086.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Beryllium tetrahydrogenorthoperiodate tetrahydrate","","- Be H16 I2 O16 -","- Be H16 I2 O16 -","- Be16 H256 I32 O256 -","16","0.5","DU1154","Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M.","The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O","Acta Crystallographica Section C","1996","52","11","2660","2662","10.1107/S0108270196006762","","","0.7107","MoKα","","0.0331","0.0286","","0.087","0.0844","","","","1.344","1.379","1.379","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005612","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.28","0.08","294","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 P V2 -","- N2 O8 P2 V3 -","- N4 O16 P4 V6 -","2","0.25","","","(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups","Acta Crystallographica C","1996","52","","2668","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005613","6.328","0.001","13.208","0.002","20.069","0.005","90","","90","","90","","1677.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,4α-dihydroxy-5β-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","FG1119","Ramos Silva, M.; Paixão, J. A.; de Almeida, M.-J. M.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4α-Dihydroxy-5β-androstan-17-one","Acta Crystallographica Section C","1996","52","11","2892","2894","10.1107/S0108270196008839","","","0.71073","MoKα","","0.1287","0.0424","","0.1204","0.0883","","","","1.004","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005614","24.856","0.005","22.041","0.005","7.921","0.003","90","","90","","90","","4340","2","293","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one","","- C29 H22 O3 -","- C29 H22 O3 -","- C232 H176 O24 -","8","1","FG1122","Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.","<i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone","Acta Crystallographica Section C","1996","52","11","2936","2939","10.1107/S0108270196006944","","","0.7093","MoKα","","0.081","0.081","","0.058","0.058","","","","0.99","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005615","13.102","0.002","7.077","0.002","16.233","0.002","90","","109.31","0.02","90","","1420.5","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","FG1146","De Simone, C. A.; Pereira, M. A.; Luu-Duc, C.; Pitta, I. R.; Galdino, S. L.; Menezes, E. H. C.; Zukerman-Schpector, J.","3-Benzyl-5-(2-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1996","52","11","2771","2772","10.1107/S0108270196007317","","","0.71073","MoKα","","0.0845","0.0562","","0.1689","0.1387","","","","1.114","1.11","1.11","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2005616","14.505","0.002","10.792","0.001","18.496","0.002","90","","98.81","0.01","90","","2861.2","0.6","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-tris-{2-[(N,N-dimethylhydrazono)methyl]phenyl)}boroxin","","- C27 H33 B3 N6 O3 -","- C27 H33 B3 N6 O3 -","- C108 H132 B12 N24 O12 -","4","1","FG1192","Robinson, P. D.; Groziak, M. P.; Yi, L.","A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates","Acta Crystallographica Section C","1996","52","11","2826","2830","10.1107/S010827019600697X","","","0.71069","MoKα","","","0.043","","","0.049","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005617","12.303","0.002","18.668","0.004","13.09","0.002","90","","112.81","0.02","90","","2771.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3α-methacryloylamino-7α,12α-dihydroxy-5β-cholanoate","","- C29 H47 N O5 -","- C29 H47 N O5 -","- C116 H188 N4 O20 -","4","2","FG1198","Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X.","Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate","Acta Crystallographica Section C","1996","52","11","2905","2907","10.1107/S0108270196007809","","","1.54056","CopperKα","","0.0471","0.0381","","0.0896","0.0853","","","","0.942","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005618","11.628","0.003","6.804","0.002","20.778","0.005","90","","96.12","0.03","90","","1634.5","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α,α'-Bis(2-selenopyridine)-p-xylene","","- C18 H16 N2 Se2 -","- C18 H16 N2 Se2 -","- C72 H64 N8 Se8 -","4","1","FG1204","Kienitz, C. O.; Thöne, C.; Jones, P. G.","α,α'-Bis(2-pyridylseleno)-<i>p</i>-xylene","Acta Crystallographica Section C","1996","52","11","2847","2849","10.1107/S0108270196007536","","","0.71073","MoKα","","0.0451","0.0313","","0.085","0.0699","","","","1.067","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005619","7.9286","0.0016","9.7444","0.0014","20.756","0.003","90","","93.173","0.014","90","","1601.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-toluenesulfinyl)ferrocene","","- C18 H18 Fe O2 S -","- C18 H18 Fe O2 S -","- C72 H72 Fe4 O8 S4 -","4","1","FG1218","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J.","(S<i>S</i>*,1<i>S</i>*,2<i>R</i>*)-1-(Hydroxymethyl)-2-(<i>p</i>-tolylsulfinyl)ferrocene","Acta Crystallographica Section C","1996","52","11","2757","2760","10.1107/S0108270196010165","","","0.71069","MoKα","","","0.058","","","0.047","","","","","1.19","1.19","","","","","has coordinates","191860","2020-10-21","18:00:00",""
"2005620","16.149","0.008","12.969","0.008","17.075","0.009","90","","110.59","0.04","90","","3348","3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(trans-3-methyloxiran-2-yl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximide","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C128 H136 N8 O32 S16 -","8","2","FG1221","Clegg, W.; Elsegood, M. R. J.; Jackson, R. F. W.; Bailey, P. L.; Briggs, A. D.","A Sulfoximidooxirane","Acta Crystallographica Section C","1996","52","11","2781","2783","10.1107/S0108270196010141","","","0.71073","MoKα","","0.0812","0.0395","","0.1242","0.0967","","","","1.074","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005621","5.9653","0.0007","13.45","0.002","18.63","0.002","90","","90","","90","","1494.7","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-p-toluenesulfonylaziridine-(2S)-carboxylic acid tert-butyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","FG1222","Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A.","A Sulfonyl-Substituted Aziridine","Acta Crystallographica Section C","1996","52","11","2779","2781","10.1107/S0108270196010153","","","0.71073","MoKα","","0.0272","0.026","","0.0685","0.0674","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005622","11.987","0.002","9.7183","0.0015","10.2177","0.0012","90","","119.889","0.009","90","","1032","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-diacetyl-2,2'-biimidazole","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","0.5","HA1165","Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W.","1,1'-Diacetyl-2,2'-biimidazole","Acta Crystallographica Section C","1996","52","11","2882","2883","10.1107/S0108270196008001","","","0.71073","MoKα","","0.0477","0.0388","","0.1062","0.0998","","","","1.058","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005623","4.3326","0.0012","7.966","0.003","26.889","0.017","90","","90","","90","","928","0.7","293","2","293","2","","","","","","","","3","F 2 d d","F -2d 2","43","2-Butyne-1,4-diol","2-Butyne-1,4-diol","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","0.5","HA1166","Steiner, Th.","2-Butyne-1,4-diol","Acta Crystallographica Section C","1996","52","11","2885","2887","10.1107/S0108270196008207","","","1.54176","CuKα","","0.0416","0.0321","","0.1019","0.0879","","","","1.074","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005624","7.795","0.004","15.347","0.002","19.245","0.002","90","","99.53","0.04","90","","2270.5","1.3","298","3","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Cl2 Cu N4 O9 -","- C14 H34 Cl2 Cu N4 O9 -","- C56 H136 Cl8 Cu4 N16 O36 -","4","1","HR1024","Tahirov, T. H.; Lu, T.-H.; Liao, F.-L.; Wang, S.-L.; Chen, B.-H.; Chi, T.-Y.; Chung, C.-S.","Aqua(1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","11","2687","2689","10.1107/S0108270196007925","","","0.71073","MoKα","","","0.04","","","0.062","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005625","12.169","0.002","13.576","0.001","14.919","0.001","90","","90","","90","","2464.7","0.5","298","3","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Co N7 S3 -","- C19 H32 Co N7 S3 -","- C76 H128 Co4 N28 S12 -","4","1","HR1025","Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')di(isothiocyanato-<i>N</i>)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1996","52","11","2684","2687","10.1107/S0108270196008724","","","0.71073","MoKα","","","0.051","","","0.055","","","","","1.52","1.52","","","","","has coordinates,has disorder","200181","2020-10-21","18:00:00",""
"2005626","9.166","0.002","35.341","0.004","10.101","0.003","90","","110.65","0.01","90","","3061.8","1.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 Co N6 -","- C33 H24 Cl3 Co N6 -","- C132 H96 Cl12 Co4 N24 -","4","1","JZ1109","Castro, J. A.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castiñeiras, A.","Tris{2-[(4-chlorophenyl)iminomethyl]pyrrolato-<i>N</i>,<i>N</i>'}cobalt(III)","Acta Crystallographica Section C","1996","52","11","2734","2736","10.1107/S0108270196008785","","","0.71073","MoKα","","","0.052","","","0.059","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005627","9.264","0.005","12.768","0.006","10.177","0.005","90","","94.19","0.02","90","","1200.5","1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Fe O10 P4 -","- C4 Fe O10 P4 -","- C16 Fe4 O40 P16 -","4","1","JZ1123","Jansen, M.; Clade, J.","Tetracarbonyl(tetraphosphorus hexaoxide)iron","Acta Crystallographica Section C","1996","52","11","2650","2652","10.1107/S0108270196004398","","","0.71073","MoKα","","0.0422","0.0377","","0.1046","0.0922","","","","1.068","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005628","12.474","0.002","6.3201","0.0008","12.418","0.003","90","","94.93","0.03","90","","975.4","0.3","193","1","193","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Bis(1,5-cyclooctadiene)di-μ-ethoxo-dirhodium(I)","","- C20 H34 O2 Rh2 -","- C20 H34 O2 Rh2 -","- C40 H68 O4 Rh4 -","2","0.5","JZ1129","Ramm, M.; Selent, D.","Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I)","Acta Crystallographica Section C","1996","52","11","2703","2705","10.1107/S0108270196007998","","","0.71073","MoKα","","0.0357","0.0287","","0.078","0.0752","","","","1.071","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005629","9.558","0.002","10.454","0.002","11.009","0.002","80.29","0.02","87.94","0.02","75.43","0.02","1049.4","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-1,3-butadiene)tricarbonyl-μ-hydrido(μ-η^1:5^-indene-1,1-diyl)- (η^5^indenyl)dimolybdenum","","- C25 H20 Mo2 O3 -","- C25 H20 Mo2 O3 -","- C50 H40 Mo4 O6 -","2","1","JZ1134","Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1996","52","11","2701","2703","10.1107/S0108270196008165","","","0.71069","MoKα","","0.0254","0.0221","","0.0501","0.0495","","","","1.875","1.927","1.927","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005630","13.061","0.001","18.9771","0.0015","9.3473","0.0009","90","","127.004","0.006","90","","1850.2","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Chromium(III)-trimetaphosphate","","- Cr O9 P3 -","- Cr O9 P3 -","- Cr12 O108 P36 -","12","3","JZ1135","Gruss, M.; Glaum, R.","Refinement of the Superstructure of <i>C</i>-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~","Acta Crystallographica Section C","1996","52","11","2647","2650","10.1107/S0108270196007056","","","0.71073","MoKα","","0.0306","0.0208","","0.0602","0.0572","","","","1.093","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005631","9.7355","0.0019","8.8451","0.0018","16.594","0.003","90","","99.91","0.03","90","","1407.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-2,2,4,4- tetramethyl-1,3,diaza-2,4-disilacyclobutane","","- C28 H46 N2 Si2 -","- C28 H46 N2 Si2 -","- C56 H92 N4 Si4 -","2","0.5","JZ1138","Shah, S. A. A.; Roesky, H. W.; Lubini, P.; Schmidt, H.-G.","1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane","Acta Crystallographica Section C","1996","52","11","2810","2811","10.1107/S0108270196006865","","","0.71073","MoKα","","0.0367","0.0329","","0.0897","0.0862","","","","1.037","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005632","6.5712","0.0006","12.9917","0.0006","6.9237","0.0003","90","","102.133","0.006","90","","577.88","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triammonium trimetaphosphimate monohydrate","Triammonium-tri-μ-imido-cyclotriphosphate monohydrate","","- H17 N6 O7 P3 -","- H17 N6 O7 P3 -","- H34 N12 O14 P6 -","2","1","JZ1139","Stock, N.; Schnick, W.","Triammonium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1996","52","11","2645","2647","10.1107/S0108270196006907","","","0.71073","MoKα","","0.0173","0.0167","","0.0447","0.0443","","","","1.129","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005633","9.425","0.001","10.904","0.003","20.034","0.007","90","","90","","90","","2058.9","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia- 4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","JZ1144","Bolte, M.; Strahringer, C.","(1<i>S</i>,5<i>R</i>,6<i>R</i>,8<i>R</i>,10<i>R</i>,12<i>R</i>)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","Acta Crystallographica Section C","1996","52","11","2805","2806","10.1107/S0108270196008840","","","1.5418","CuKα","","0.0312","0.0307","","0.0918","0.0909","","","","0.991","0.99","0.99","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005634","10.79","0.001","10.79","0.001","30.688","0.003","90","0.009","90","0.009","90","0.009","3572.8","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Boc-Phe-Aminomalonaldehyde","6-benzyl-2,2-dimethyl-5,8-diaza-4,7-dioxo-9-formyl-10-hydroxy- 3-oxa-(9,10)-decen","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","KA1191","Sopková, J.; Císarová, I.; Arnold, Z.","Boc‒Phe‒Aminomalonaldehyde","Acta Crystallographica Section C","1996","52","11","2903","2905","10.1107/S0108270196008025","","","0.71073","MoKα","","0.0516","0.0347","","0.0987","0.0851","","","","1.033","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005635","5.8303","0.0007","8.039","0.001","16.026","0.002","84.55","0.01","82.82","0.01","81.91","0.01","735.54","0.16","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O S -","- C16 H17 N O S -","- C32 H34 N2 O2 S2 -","2","1","KA1196","Hartung, J.; Svoboda, I.; Fuess, H.","Balancing Conjugational Stabilization and Torsional Strain. The Solid-State Structure of a 2-Thioalkyl-Substituted Pyridine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","11","2841","2844","10.1107/S0108270196007019","","","0.71069","MoKα","","0.0663","0.0426","","0.1257","0.1125","","","","1.038","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005636","12.801","0.004","18.168","0.004","7.866","0.004","90","","90","","90","","1829.4","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-androsten-17beta-yl acetate-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1942","0.0492","","0.1746","0.114","","","","1.079","1.302","1.302","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005637","10.207","0.005","40.174","0.007","6.074","0.013","90","","90","","90","","2491","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-4-androsten-17beta-yl acetate-3-Obenzyloxime","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1965","0.052","","0.2097","0.1219","","","","1.075","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005638","13.507","0.003","6.117","0.005","15.25","0.003","90","","92.582","0.015","90","","1258.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C56 H74 N2 O6 -","2","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1226","0.0476","","0.1629","0.1157","","","","1.072","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005639","11.077","0.002","9.631","0.002","20.945","0.004","90","","93.53","0.03","90","","2230.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-4(5)-(p-methoxyphenylazo)imidazole","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C88 H96 N32 O8 -","8","2","KA1202","Anulewicz, R.; Maciejewska, D.","4(5)-(<i>p</i>-Methoxyphenylazo)-2-methylimidazole","Acta Crystallographica Section C","1996","52","11","2943","2945","10.1107/S0108270196007007","","","1.54178","CuKα","","0.117","0.0931","","0.269","0.2349","","","","1.023","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005640","14.14","0.005","8.028","0.002","25.133","0.004","90","","90","","90","","2853","1.3","291","","291","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitro-α-methoxy-trans-chalcone","3-(4-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0758","0.0575","","0.176","0.1601","","","","1.063","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005641","8.384","0.001","8.783","0.001","9.492","0.001","95.01","0.01","97.17","0.01","101.5","0.01","675.03","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","3-Nitro-α-methoxy-trans-chalcone","3-(3-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C32 H26 N2 O8 -","2","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0438","0.0429","","0.1132","0.1122","","","","1.129","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005642","4.77","0.001","11.725","0.002","8.9911","0.0008","90","","99.64","0.01","90","","495.76","0.14","296","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H7 F4 N O -","- C10 H7 F4 N O -","- C20 H14 F8 N2 O2 -","2","1","KH1097","Kato, K.; Morikawa, H.; Kimoto, H.; Momota, K.","5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydroquinoline","Acta Crystallographica Section C","1996","52","11","2836","2837","10.1107/S0108270196007676","","","0.71069","MoKα","","","0.037","","","0.036","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005643","10.914","0.002","13.287","0.002","7.317","0.002","93.43","0.02","94.44","0.02","110.89","0.009","984","0.4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl Mn N2 O2 -","- C22 H22 Cl Mn N2 O2 -","- C44 H44 Cl2 Mn2 N4 O4 -","2","1","KH1098","Feng, Y.-L.; Liu, S.-X.","Chloro[<i>N</i>,<i>N</i>'-ethylenebis(3-imino-1-phenyl-1-butanonato-<i>N</i>,<i>O</i>)]manganese(III), [MnCl(C~22~H~22~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2768","2770","10.1107/S0108270196006579","","","0.71069","MoKα","","","0.0446","","","0.0535","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005644","9.846","0.009","38.204","0.009","11.421","0.009","90","","113.18","0.07","90","","3949","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-^t^butyl-1-cyclohexyl-2-diisopropylamino-6-(4-methoxyphenyl)-2-[4-methoxy- 2,3,4-tris(methoxycarbonyl)-5-oxo-2-cyclopentenyliden]-1,2-dihydro-1,3,2- diazaphosphinine.","","- C38 H54 N3 O9 P -","- C38 H54 N3 O9 P -","- C152 H216 N12 O36 P4 -","4","1","KH1100","García-Granda, S.; Santiago-García, R.; Bieger, K.","C~38~H~54~N~3~O~9~P, a New Compound in Diazadihydrophosphinine Chemistry","Acta Crystallographica Section C","1996","52","11","2857","2859","10.1107/S0108270196007755","","","0.71073","MoKα","","0.3048","0.058","","0.2329","0.1269","","","","0.992","1.148","1.148","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005645","8.754","0.002","8.857","0.002","16.748","0.003","90","","92","0.03","90","","1297.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetra-n-butylammonium Chloride-Thiourea (1/2)","","","- C18 H44 Cl N5 S2 -","- C18 H44 Cl N5 S2 -","- C36 H88 Cl2 N10 S4 -","2","1","KH1101","Li, Q.; Mak, T. C. W.","Tetra-<i>n</i>-butylammonium Chloride‒Thiourea (1/2), a Layer-Type Inclusion Compound","Acta Crystallographica Section C","1996","52","11","2830","2832","10.1107/S0108270196008268","","","0.71073","MoKα","","0.0619","0.0501","","0.1476","0.1371","","","","1.061","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005646","7.214","0.001","16.437","0.001","16.18","0.002","90","","97.378","0.005","90","","1902.7","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-methyladeninium trichloro-7-methyladeninezinc(II) hydrate","","- C12 H17 Cl3 N10 O Zn -","- C12 H17 Cl3 N10 O Zn -","- C48 H68 Cl12 N40 O4 Zn4 -","4","1","KH1103","Price, C. L.; Taylor, M. R.","7-Methyl-3-adeninium Trichloro(7-methyladenine-<i>N</i>^9^)zinc(II) Hydrate","Acta Crystallographica Section C","1996","52","11","2736","2738","10.1107/S0108270196009079","","","1.5418","CuKα","","0.035","0.032","","0.07","0.07","","","","2.903","2.959","2.959","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005647","6.8995","0.0004","11.3444","0.0006","11.537","0.001","114.436","0.007","92.049","0.006","104.428","0.005","786.26","0.11","571","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 B10 N O -","- C10 H17 B10 N O -","- C20 H34 B20 N2 O2 -","2","1","KH1105","White, J. M.; Bateman, S. A.; Kelly, D. P.; Martin, R. F.","3-[1,2-Dicarba-<i>closo</i>-dodecacarboranyl(methyleneoxy)]benzonitrile","Acta Crystallographica Section C","1996","52","11","2785","2787","10.1107/S0108270196008062","","","1.5418","CuKα(Nifiltered","","0.0492","0.0446","","0.165","0.1408","","","","0.809","0.816","0.816","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005648","16.434","0.002","6.99","0.003","16.204","0.002","90","","117.83","0.01","90","","1646.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Co3 N4 O24 -","- C22 H40 Co3 N4 O24 -","- C44 H80 Co6 N8 O48 -","2","0.5","KH1107","Chen, X.-M.; Chen, H.-A.; Wu, B.-M.; Mak, T. C. W.","Hexaaquacobalt(II) Bis[(2-Hydroxy-1,3-propanediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)cobalt(III)]","Acta Crystallographica Section C","1996","52","11","2693","2695","10.1107/S0108270196007937","","","0.71073","MoKα","","0.0553","0.0452","","0.1309","0.1225","","","","1.052","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005649","10.113","0.002","16.951","0.003","18.015","0.004","90","","98.49","0.03","90","","3054.4","1.1","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2-Bis(diphenylphosphino)propane](1,3-propanedithiolate)palladium(II), [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","","- C32 H35 N P2 Pd S2 -","- C32 H35 N P2 Pd S2 -","- C128 H140 N4 P8 Pd4 S8 -","4","1","KH1111","Su, W.; Hong, M.; Zhou, Z.; Xue, F.; Liu, H.; Mak, T. C. W.","[1,3-Bis(diphenylphosphino)propane-<i>P</i>,<i>P</i>'](1,3-propanedithiolato-<i>S</i>,<i>S</i>')palladium(II) Acetonitrile Solvate, [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","Acta Crystallographica Section C","1996","52","11","2691","2693","10.1107/S0108270196008670","","","0.71073","MoKα","","","0.035","","","0.048","","","","","1.12","1.12","","","","","has coordinates","198524","2020-10-21","18:00:00",""
"2005650","12.578","0.002","12.848","0.002","11.505","0.002","90","","90","","90","","1859.2","0.5","291","","291","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[N,N'-bis(2-thiobenzenylidene)1,2-dimethyl-4,5-phenylenediaminato]nickel(II)","","- C22 H18 N2 Ni S2 -","- C22 H18 N2 Ni S2 -","- C88 H72 N8 Ni4 S8 -","4","0.5","KH1114","Henderson, R. K.; Bouwman, E.; Reedijk, J.; Powell, A. K.","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-dimethyl-4,5-phenylenediaminato]nickel(II), Ni(tsaldimph)","Acta Crystallographica Section C","1996","52","11","2696","2698","10.1107/S0108270196009778","","","0.71073","MoKα","","0.0584","0.0328","","0.0498","0.0454","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005651","9.944","0.001","13.171","0.001","15.92","0.002","90","","97.48","0.01","90","","2067.3","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 O S Te -","- C21 H18 Cl2 O S Te -","- C84 H72 Cl8 O4 S4 Te4 -","4","1","LI1148","Zukerman-Schpector, J.; Caracelli, I.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","(<i>Z</i>)-1-(Dichloro-<i>p</i>-methoxyphenyltelluro)-1-phenyl-2-thiophenylethene","Acta Crystallographica Section C","1996","52","11","2772","2774","10.1107/S0108270196008256","","","0.71073","MoKα","","0.0414","0.0261","","0.0711","0.061","","","","1.126","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005652","8.962","0.002","8.962","0.002","15.439","0.003","90","","90","","90","","1240","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachloromercurate","","- C16 H40 Cl4 Hg N2 -","- C16 H40 Cl4 Hg N2 -","- C32 H80 Cl8 Hg2 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.7107","MoKα","","0.1181","0.0299","","0.0862","0.0676","","","","0.886","1.033","1.033","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005653","9.034","0.002","9.034","0.002","15.297","0.003","90","","90","","90","","1248.4","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorocadamate","","- C16 H40 Cd Cl4 N2 -","- C16 H40 Cd Cl4 N2 -","- C32 H80 Cd2 Cl8 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.71069","MoKα","","0.118","0.0389","","0.1028","0.0883","","","","0.755","1.034","1.034","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005654","9.0147","0.001","9.0147","0.001","14.964","0.002","90","","90","","90","","1216","0.3","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorozincate","","- C16 H40 Cl4 N2 Zn -","- C16 H42 Cl4 N2 Zn -","- C32 H84 Cl8 N4 Zn2 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","1.5418","CuKα","","0.0688","0.0599","","0.1924","0.1841","","","","1.12","1.195","1.195","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005655","18.308","0.002","7.262","0.001","22.805","0.003","90","","90","","90","","3032","0.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cu N3 O4 -","- C14 H17 Cu N3 O4 -","- C112 H136 Cu8 N24 O32 -","8","1","MU1236","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.","Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1996","52","11","2763","2766","10.1107/S0108270196008578","","","0.71073","MoKα","","","0.0472","","","0.1161","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005656","35.8","0.004","15.564","0.001","11.387","0.001","90","","96.21","0.01","90","","6307.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(quinolin-8-olato)(8-hydroxyquinoline)(triphenylphosphine)silver(I)] hydrogen acetate monohydrate","","- C74 H62 Ag2 N4 O7 P2 -","- C74 H62 Ag2 N4 O7 P2 -","- C296 H248 Ag8 N16 O28 P8 -","4","1","MU1240","Othman, A. H.; Goh, S.-C.; Fun, H.-K.; Sivakumar, K.","Hydrogen Bis[(8-quinolinol-<i>N</i>)(8-quinolinolato-<i>N</i>,<i>O</i>)(triphenylphosphine-<i>P</i>)silver(I)] Acetate Monohydrate","Acta Crystallographica Section C","1996","52","11","2760","2763","10.1107/S010827019600858X","","","0.71073","MoKα","","0.08","0.053","","0.2075","0.1478","","","","1.056","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005657","11.249","0.002","9.995","0.002","9.362","0.002","90","","111.25","0.03","90","","981","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-thioxo-1,3-thiazolidin-3-yl)4,5-dihydro-1,3-thiazole hydrochloride","","- C6 H9 Cl N2 S3 -","- C6 H9 Cl N2 S3 -","- C24 H36 Cl4 N8 S12 -","4","1","MU1250","Raper, E. S.; Kubiak, M.; Głowiak, T.","2-(2-Thioxo-1,3-thiazolidin-3-yl)-4,5-dihydro-1,3-thiazol-1-ium Chloride, C~6~H~9~N~2~S~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","11","2908","2910","10.1107/S0108270196008591","","","0.71069","MoKα","","0.0424","0.0424","","0.1137","0.1137","","","","1.097","1.097","1.097","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005658","11.677","0.002","12.431","0.002","9.443","0.002","108.6","0.03","111.44","0.03","89.96","0.03","1198.7","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","2-(7,9-Diphenylcyclopenta[a]acenaphthylen-6b-yl)-2-phenylethanol","","- C35 H26 O -","- C35 H26 O -","- C70 H52 O2 -","2","1","MU1261","Repo, T.; Klinga, M.; Leskelä, M.; Polamo, M.; Rieger, B.","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)-2-phenylethanol","Acta Crystallographica Section C","1996","52","11","2910","2912","10.1107/S0108270196007895","","","0.71073","MoKα","","0.075","0.0563","","0.1392","0.1279","","","","1.056","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005659","17.784","0.005","18.326","0.004","9.055","0.003","90","","104.74","0.03","90","","2854","1.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-dimethyl-N-(p-tolylthio)-N'-[chloro(methyl)arsino]urea","","- C11 H16 As Cl N2 O S -","- C11 H16 As Cl N2 O S -","- C88 H128 As8 Cl8 N16 O8 S8 -","8","2","MU1265","Jones, P. G.; Fischer, A. K.; Müller, C.; Pinchuk, V. A.; Schmutzler, R.","<i>N</i>-Chloro(methyl)arsino-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>'-(<i>p</i>-tolylthio)urea","Acta Crystallographica Section C","1996","52","11","2750","2752","10.1107/S0108270196008359","","","0.71073","MoKα","","0.0485","0.0344","","0.0802","0.0728","","","","1.046","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005660","32.027","0.007","9.829","0.002","17.42","0.006","90","","96.89","0.03","90","","5444","3","293","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C192 H176 Cl16 Cu8 Mo4 N8 P8 S24 -","4","0.5","MU1271","Wang, Q.; Wu, X.; Huang, Q.; Sheng, T.","Bis(pyridine-2-thione)-2κ<i>S</i>;3κ<i>S</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>-dicoppermolybdenum Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1996","52","11","2738","2740","10.1107/S0108270196008608","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005661","7.9572","0.0007","8.2383","0.0004","8.5846","0.0006","110.416","0.005","92.067","0.006","92.165","0.006","526.3","0.07","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","1","0.5","MU1275","Ülkü, D.; Ercan, F.; Macit, M.; Gülce, A.","Bis[<i>N</i>-(2,6-dimethylphenyl)aminoglyoximato-<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","1996","52","11","2680","2682","10.1107/S0108270196009407","","","0.71073","MoKα","","","0.029","","","0.033","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005662","12.245","0.0012","10.3134","0.0012","18.77","0.003","90","","106.53","0.012","90","","2272.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-{N,N,N',N'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2- ethylenediamine}-bis[aquanitratonickel(II)] dinitrate dimethanol solvate.","","- C32 H60 N14 Ni2 O16 -","- C32 H60 N14 Ni2 O16 -","- C64 H120 N28 Ni4 O32 -","2","0.5","MU1285","Veldman, N.; Spek, A. L.; Tabbì, G.; Driessen, W. L.; Reedijk, J.","A Dinuclear Nickel(II) Compound: μ-{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine}-bis[aqua(nitrato-<i>O</i>,<i>O</i>')nickel(II)] Dinitrate Dimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2698","2701","10.1107/S010827019600981X","","","0.71073","MoKα","","0.0637","0.0637","","0.1647","0.1647","","","","1.096","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005663","11.216","0.001","14.366","0.002","12.837","0.003","90","","92.03","0.01","90","","2067.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Fe2 -","- C26 H28 Fe2 -","- C104 H112 Fe8 -","4","1","NA1233","Alvarez-Larena, A.; Briansó, J. L.; Piniella, J. F.; Farran, J.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Molins, E.; Miravitlles, C.","Triple-Decker [Cp*Fe(C~8~H~6~)Fe(C~8~H~7~)]","Acta Crystallographica Section C","1996","52","11","2754","2757","10.1107/S0108270196008037","","","0.71073","MoKα","","0.0593","0.035","","0.0916","0.0886","","","","0.971","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005664","4.783","0.001","16.982","0.006","16.205","0.006","90","","96.82","0.04","90","","1306.9","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C44 H40 Cl8 N8 O16 -","4","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.1658","0.0549","","0.1432","0.1241","","","","0.835","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005665","7.279","0.001","8.805","0.002","11.753","0.002","73.15","0.01","71.27","0.01","71.09","0.01","660.2","0.2","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","2-(3,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C22 H20 Cl4 N4 O8 -","2","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.098","0.0617","","0.1772","0.1647","","","","0.987","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005666","8.16","0.002","22.289","0.004","9.461","0.002","90","","96.51","0.03","90","","1709.7","0.6","295","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(α-Hydrazonomethyl)-3-benzofuranyl]-p-toluene sulfonamide","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","NA1246","Bachechi, F.; Coiro, V. M.; Delfini, M.","<i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","11","2915","2917","10.1107/S0108270196006968","","","0.71073","MoKα","","","0.0525","","","0.0593","","","","","1.0785","1.0785","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005667","7.7033","0.0002","8.4943","0.0002","15.4169","0.0005","90","","96.201","0.005","90","","1002.89","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(R)-N-[3,4-dihydro-2H-1-benzopyran-2-yl)methyl]- N'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediamine dihydrobromide","","- C17 H28 Br2 N4 O -","- C17 H28 Br2 N4 O -","- C34 H56 Br4 N8 O2 -","2","1","NA1252","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","({-})-(<i>R</i>)-<i>N</i>-[(3,4-Dihydro-2<i>H</i>-1-benzopyran-2-yl)methyl]-<i>N</i>'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediaminium Dibromide","Acta Crystallographica Section C","1996","52","11","2795","2797","10.1107/S010827019600710X","","","1.54184","CuKα","","0.0335","0.0333","","0.0842","0.0842","","","","1.085","1.085","1.085","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005668","10.608","0.007","9.782","0.009","25.999","0.007","90","","90.44","0.04","90","","2698","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 N2 O2 Ti -","- C26 H34 Cl2 N2 O2 Ti -","- C104 H136 Cl8 N8 O8 Ti4 -","4","1","NA1254","Repo, T.; Klinga, M.; Leskelä, M.; Pietikäinen, P.; Brunow, G.","Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV), [TiCl~2~(C~26~H~34~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2742","2745","10.1107/S010827019600933X","","","0.71073","MoKα","","0.2051","0.0957","","0.1591","0.1226","","","","0.978","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005669","10.319","0.002","8.933","0.002","23.976","0.002","90","","94.92","0.02","90","","2202","0.7","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium chloride","","- C23 H24 Cl N3 O S -","- C27 H27 Cl N3 O S2 -","- C108 H108 Cl4 N12 O4 S8 -","4","1","NA1255","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","11","2793","2795","10.1107/S0108270196007962","","","1.54184","CuKα","","0.082","0.0462","","0.1247","0.1236","","","","1.121","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005670","7.935","0.001","25.116","0.003","11.081","0.002","90","0","96.4","0.01","90","0","2194.6","0.6","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Nitro-phenyl)-(1,3,5,8,12-pentaaza-cyclotetradec-3-yl)- -methanone dinitrato copper(II)","","- C16 H26 Cu N8 O9 -","- C16 H26 Cu N8 O9 -","- C64 H104 Cu4 N32 O36 -","4","1","NA1257","Sardone, N.; Licchelli, M.","(4-Nitrophenyl 1,3,5,8,12-pentaazacyclotetradec-3-yl ketone-<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) Dinitrate","Acta Crystallographica Section C","1996","52","11","2713","2716","10.1107/S0108270196009183","","","1.54184","CuKα","","0.054","0.05","","","0.039","","","","","1.744","1.744","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005671","28.01","0.01","28.22","0.02","19.24","0.01","107.04","0.06","93.75","0.06","130.71","0.02","10308","14","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- Al2 Er6 H117 Na8 Nb30 O149.5 -","- Al2 Er6 Na8 Nb30 O149.25 -","- Al4 Er12 Na16 Nb60 O298.5 -","2","1","OA1001","Naruke, H.; Yamase, T.","Na~8~H~18~[{Er~3~O(OH)~3~(H~2~O)~3~}~2~Al~2~-(Nb~6~O~19~)~5~].40.5H~2~O","Acta Crystallographica Section C","1996","52","11","2655","2660","10.1107/S0108270196007366","","","0.7107","MoKα","","","0.076","","","0.098","","","","","3.53","3.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005672","20.19","0.004","5.388","0.002","22.728","0.003","90","","107.502","0.011","90","","2358","1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-octyloxybiphenyl-4'-yl 4-Methoxybenzoate","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","OA1004","Hori, K.; Nishiura, Y.","4-Octyloxybiphenyl-4'-yl 4-Methoxybenzoate","Acta Crystallographica Section C","1996","52","11","2922","2924","10.1107/S0108270196008517","","","1.5418","CuKα","","0.0505","0.0434","","0.1302","0.1259","","","","1.082","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005673","19.368","0.008","24.45","0.01","15.94","0.01","90","","108.72","0.04","90","","7149","6","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H104 O46 -","- C51 H49 O45.32 -","- C204 H196 O181.28 -","4","1","PA1216","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Inclusion of the Main Pheromone Component of <i>Dacus oleae</i>, 1,7-Dioxaspiro[5,5]undecane, in β-Cyclodextrin","Acta Crystallographica Section C","1996","52","11","2932","2936","10.1107/S0108270196005677","","","1.54184","CuKα","","","0.086","","","0.086","","","","","4.04","4.04","","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2005674","10.661","0.002","5.478","0.002","11.383","0.003","90","","104.57","0.02","90","","643.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dinitro-diphenyl-sulfone","","- C12 H8 N2 O6 S -","- C12 H8 N2 O6 S -","- C24 H16 N4 O12 S2 -","2","1","PA1230","Ellena, J.; Punte, G.; Nudelman, N. S.","2,4-Dinitrophenyl Phenyl Sulfone","Acta Crystallographica Section C","1996","52","11","2929","2932","10.1107/S0108270196008736","","","0.71073","MoKα","","0.0449","0.0371","","0.0866","0.0811","","","","1.137","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005675","8.031","0.001","13.161","0.001","14.477","0.001","90","","90","","90","","1530.2","0.2","293","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,6-dibenzoylhydroquinone","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","PA1231","Biradha, K.; Desiraju, G. R.; Carrell, H. L.; Katz, A. K.","2,6-Dibenzoylhydroquinone","Acta Crystallographica Section C","1996","52","11","2839","2841","10.1107/S0108270196007615","","","0.71073","MoKα","","0.0575","0.0526","","0.1441","0.1335","","","","0.711","0.709","0.709","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005676","18.15","0.009","17.99","0.009","17.365","0.006","90","","97.39","0.03","90","","5623","4","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[13,16,19,22,25,28,42,45,48,51,54,57-dodecaoxahexacyclo[28.28.1.1^11,40^.- 0^5,58^.0^7,12^.0^29,34^.0^36,41^]hexaconta-1(58),2,4,7,9,11,29,31,33,36,38,40- dodecaene](diiodo)dicaesium","","- C52 H66 Cs2 I2 N2 O12 -","- C52 H66 Cs2 I2 N2 O12 -","- C208 H264 Cs8 I8 N8 O48 -","4","0.5","PA1233","Thuéry, P.; Nierlich, M.; Lamare, V.; Dozol, J.-F.; Asfari, Z.; Vicens, J.","Caesium Iodide Complex of 1,3-Calix[4]-<i>bis</i>-crown-6","Acta Crystallographica Section C","1996","52","11","2729","2731","10.1107/S0108270196006786","","","0.71073","MoKα","","0.032","0.025","","0.04","0.038","","","","1.791","1.879","1.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005677","7.267","0.002","17.837","0.007","12.975","0.007","90","","98.78","0.03","90","","1662.1","1.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-spirobitricyclo[3.3.1.1^3,7^]decanyl acetate","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","PA1240","Vaissermann, J.; Lomas, J. S.","A Highly Strained Tertiary Acetate: 2,2'-Spirobiadamant-1-yl Acetate","Acta Crystallographica Section C","1996","52","11","2837","2839","10.1107/S0108270196007639","","","0.71076","MoKα","","","0.0422","","","0.0405","","","","","3.55","3.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005678","11.664","0.004","17.476","0.006","12.408","0.004","90","","94.81","0.03","90","","2520.3","1.5","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H26 O4.5 -","- C32.48 H24 O4.48 -","- C129.92 H96 O17.92 -","4","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.1571","0.0435","","0.0816","0.0684","","","","0.777","1.264","1.264","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005679","17.513","0.005","14.897","0.006","19.587","0.008","90","","90","","90","","5110","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H28 O5 -","- C33 H28 O5 -","- C264 H224 O40 -","8","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.0689","0.0389","","0.1041","0.0975","","","","0.97","1.222","1.222","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005680","8.181","0.002","4.696","0.001","8.563","0.002","90","","111.39","0.03","90","","306.31","0.14","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","sulfuric acid","dihydrogen sulfate","","- H2 O4 S -","- H2 O4 S -","- H8 O16 S4 -","4","0.5","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0231","0.0212","","0.0623","0.0576","","","","1.139","1.155","1.155","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005681","7.077","0.001","6.955","0.001","8.15","0.002","90","","106.18","0.03","90","","385.26","0.14","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sulfuric acid monohydrate","oxonium hydrogen sulfate","","- H4 O5 S -","- H4 O5 S -","- H16 O20 S4 -","4","1","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0374","0.0332","","0.1075","0.0858","","","","1.126","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005682","21.141","0.005","9.61","0.003","13.98","0.004","90","","107.33","0.08","90","","2711.3","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-nitrobenzyl) oximinoether] hexahydroazepine 2,3-dione.","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C104 H120 N24 O32 -","8","1","SK1016","Tranqui, D.; Elfrom, H.; Pera, H.; Leclerc, G.","3-(4-Nitrobenzyloximino)hexahydroazepin-2-one","Acta Crystallographica Section C","1996","52","11","2880","2882","10.1107/S0108270196007688","","","1.5418","CuKα","","0.0517","0.0406","","0.1077","0.1008","","","","0.438","0.55","0.55","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005683","13.078","0.01","13.078","0.01","11.871","0.01","90","","90","","90","","2030","3","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(tetraethylammonium,tetramethylammonium)-tetrachlorocuprate","","- C12 H32 Cl4 Cu N2 -","- C12.5 H33 Cl4 Cu N2 -","- C50 H132 Cl16 Cu4 N8 -","4","0.5","SK1018","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~]","Acta Crystallographica Section C","1996","52","11","2674","2676","10.1107/S0108270196009031","","","1.5418","CuKα","","0.0761","0.0702","","0.1763","0.1716","","","","1.097","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005684","7.603","0.001","13.634","0.002","13.405","0.002","90","","90","","90","","1389.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-aconitic acid","1-propene-cis(1,2),3-tricarboxylic acid","","- C6 H6 O6 -","- C6 H6 O6 -","- C48 H48 O48 -","8","1","SK1040","Nagel, N.; Endruschat, U.; Bock, H.","<i>cis</i>-Aconitic Acid at 150K","Acta Crystallographica Section C","1996","52","11","2912","2915","10.1107/S0108270196008220","","","0.71073","MoKα","","0.0505","0.0375","","0.0995","0.0917","","","","1.029","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005685","8.502","0.002","9.653","0.003","11.767","0.002","72.01","","74.57","","72.74","","860.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","acetyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C15 H15 Cl N2 O7 S -","- C15 H15 Cl N2 O7 S -","- C30 H30 Cl2 N4 O14 S2 -","2","1","SX1003","González, O. A.; Mombrú, A. W.; Suescun, L. P.; Mariezcurrena, R. A.; Manta, E.; Prandi, C.","Acetoxymethyl 4-Chloro-<i>N</i>-furfuryl-5-sulfamoylanthranilate, an Absorption Furosemide Prodrug","Acta Crystallographica Section C","1996","52","11","2875","2878","10.1107/S0108270196008360","","","0.71073","MoKα","","0.1086","0.0511","","0.1437","0.1179","","","","0.93","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005686","6.936","0.002","9.747","0.003","12.057","0.001","101.81","0.01","102.65","0.02","112.03","0.01","699.2","0.3","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl Cu N4 O6 -","- C11 H14 Cl Cu N4 O6 -","- C22 H28 Cl2 Cu2 N8 O12 -","2","1","SZ1007","Chen, Z.-N.; Jun, Q.; Tang, W.-X.; Chen, J.; Zheng, P.-J.","A μ-Oxamidato-Bridged Dinuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","11","2752","2754","10.1107/S0108270196005793","","","0.71073","MoKα","","","0.026","","","0.028","","","","","0.66","0.66","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005687","9.078","0.002","14.909","0.003","16.576","0.003","90","","91.73","0.03","90","","2242.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 -","- C31 H19 N O2 -","- C124 H76 N4 O8 -","4","1","SZ1023","Muneer, M.; George, M. V.; Rath, N. P.","The Photoproduct Derived from 9-Cyanodibenzobarrelene","Acta Crystallographica Section C","1996","52","11","2800","2802","10.1107/S0108270196007238","","","1.54178","CuKα","","0.0539","0.0423","","0.1184","0.1098","","","","1.304","1.378","1.378","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005688","9.43","0.001","10.007","0.001","10.023","0.002","90.29","0.01","109.01","0.01","104.1","0.1","863.6","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 S -","- C21 H16 N4 S -","- C42 H32 N8 S2 -","2","1","TA1008","Zhang, Z.-Y.; Zou, N.; Zhu, Y.; Zhao, L.; Li, M.","Studies on Condensed Heterocyclic Compounds. XIII. 6-(4-Methylphenyl)-3-(1-naphthylmethylene)-<i>s</i>-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","1996","52","11","2787","2789","10.1107/S0108270196001746","","","1.5418","CuKα","","","0.069","","","0.072","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005689","12.837","0.003","18.081","0.004","11.747","0.004","96.49","0.02","106.84","0.03","107.77","0.03","2423.7","1.4","298","","298","","","","","","","","","7","P -1","-P 1","2","","Bis[S,S'(-)-trans-3,3'-(1,2-cyclohexandiyldinitrilo)-bis(2-methylpropane-2- thialato)nickel(II)] [(μ-iodocopper(I)-κ^2^S^1^,S^2'^)(μ-iodocopper(I)-κ^2^S^2^,S^1'^)(μ- iodocopper(I)-κ^2^S^2^,S^2'^)].diacetonitrile","","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C64 H124 Cu6 I6 N12 Ni4 S8 -","2","1","TA1057","Fox, S.; Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.","A Mixed-Metal Pentanuclear Complex Containing Linked Ni^II^N~2~S~2~ and Cu^I^I Units","Acta Crystallographica Section C","1996","52","11","2731","2734","10.1107/S0108270196001308","","","0.71073","MoKα","","5.25","0.0388","","","0.047","","","","","1.6","1.6","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005690","14.88","0.005","7.044","0.004","16.836","0.008","90","","110.93","0.05","90","","1648.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-triaquaO,O'chloranilatoiron(III)","","- C6 H16 Cl3 Fe O12 -","- C6 H16 Cl3 Fe O12 -","- C24 H64 Cl12 Fe4 O48 -","4","1","TA1074","Abrahams, B. F.; Hoskins, B. F.; Robson, R.","<i>mer</i>-Triaqua(chloranilato-<i>O</i>,<i>O</i>')chloroiron(III) Pentahydrate","Acta Crystallographica Section C","1996","52","11","2766","2768","10.1107/S010827019600577X","","","0.71069","MoKα","","0.056","0.0345","","0.074","0.0663","","","","1.027","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005691","8.5879","0.0007","17.461","0.0008","7.893","0.001","90","","113.82","0.01","90","","1082.76","0.19","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","1","TA1075","Zhu, Y.; Jia, Z.-J.; Shi, J.-G.; Wang, H.-Q.","A Pyridine-2,6(1<i>H</i>,3<i>H</i>)-dione Alkaloid","Acta Crystallographica Section C","1996","52","11","2791","2793","10.1107/S010827019600131X","","","1.54184","CuKα","","","0.054","","","0.055","","","","","0.801","0.801","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005692","8.856","0.001","24.985","0.002","10.507","0.001","90","","90","","90","","2324.9","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one Methanol Solvate","","- C11 H15 N3 O2 -","- C11 H14 N3 O2 -","- C88 H112 N24 O16 -","8","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.05","","","0.131","","","","","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005693","6.6707","0.0005","7.0151","0.0005","20.722","0.001","90","","98.71","0.01","90","","958.52","0.11","291","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.037","","","0.093","","","","","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005694","13.841","0.002","9.308","0.003","26.308","0.006","90","0.02","90","0.02","90","0.02","3389.3","1.4","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O5 S -","- C16 H22 N2 O5 S -","- C128 H176 N16 O40 S8 -","8","1","TA1098","White, J. M.; Giordano, J.; Green, A. J.","<i>trans</i>-4-<i>tert</i>-Butylcyclohexyl 2,4-Dinitrobenzenesulfenate","Acta Crystallographica Section C","1996","52","11","2783","2785","10.1107/S0108270196008347","","","1.5418","CuKα(Ni-filtered)","","0.0552","0.0384","","0.1001","0.0898","","","","1.028","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005695","6.07","0.002","12.824","0.003","18.457","0.005","90","","93.14","0.03","90","","1434.6","0.7","151","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 2-benzoyloxy-3-oxo-3-phenylpropanoate","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","TA1103","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Methyl 2-Benzoyloxy-3-oxo-3-phenylpropanoate","Acta Crystallographica Section C","1996","52","11","2883","2885","10.1107/S0108270196008323","","","0.71073","MoKα","","0.0574","0.0332","","0.0665","0.0627","","","","0.831","0.993","0.993","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005696","5.197","0.002","16.097","0.002","18.718","0.002","90","","90","","90","","1565.9","0.7","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 N2 O4 S -","- C11 H18 N2 O4 S2 -","- C44 H72 N8 O16 S8 -","4","1","VJ1038","Mitra, S. N.; Govindasamy, L.; Subramanian, E.","<small>L</small>-Leucyl-<small>L</small>-alanine Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1996","52","11","2871","2873","10.1107/S0108270196007743","","","1.54184","CuKα","","","0.075","","","0.083","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005697","12.202","0.001","12.364","0.002","13.29","0.002","79.8","0.01","88.9","0.01","82.6","0.01","1956.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,3-diferrocenyl-2-buten-1-one","","- C48 H45 Fe4 O2.5 -","- C48 H44 Fe4 O2.5 -","- C96 H88 Fe8 O5 -","2","1","AB1313","Erasmus, J. J. C.; Lamprecht, G. J.; Swarts, J. C.; Roodt, A.; Oskarsson, Å.","(<i>E</i>)-1,3-Diferrocenyl-2-buten-1-one‒Water (4/1)","Acta Crystallographica Section C","1996","52","12","3000","3002","10.1107/S0108270196004258","","","0.71073","MoKα","","0.0739","0.0398","","0.1203","0.0951","","","","1.11","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005698","10.075","0.002","10.075","0.002","10.075","0.002","90","","90","","90","","1022.7","0.2","293","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","","- Be3 F12 K2 Mn2 -","- Be3 F12 K2 Mn2 -","- Be12 F48 K8 Mn8 -","4","0.333333","","Guelylah A; Breczewski T; Madariaga G","A New Langbeinite: Dipotassium Dimanganese Tetrafluoroberyllate","Acta Crystallographica C","1996","52","","2951","2954","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2005699","10.421","0.001","10.421","0.001","10.421","0.001","90","","90","","90","","1131.69","0.19","295","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","0.333333","AB1353","Guelylah, A.; Madariaga, G.; Breczewski, T.","Langbeinite-Type Cubic Dithallium Dicadmium Sulfate","Acta Crystallographica Section C","1996","52","12","2954","2956","10.1107/S0108270196008815","","","0.71073","MoKα","","","0.051","","","0.04","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005700","6.245","0.002","20.797","0.002","6.7034","0.0014","90","","105.42","0.02","90","","839.3","0.3","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H26 N2 O9 Pt -","- C12 H26 N2 O9 Pt -","- C24 H52 N4 O18 Pt2 -","2","1","AB1376","Yuge, H.; Miyamoto, T. K.","(<i>trans</i>-1<i>R</i>,2<i>R</i>-Cyclohexanediamine-<i>N</i>,<i>N</i>')(<small>L</small>-ascorbato-<i>C</i>^2^,<i>O</i>^5^)platinum(II)‒Water (1/3)","Acta Crystallographica Section C","1996","52","12","3002","3005","10.1107/S0108270196009493","","","0.71069","MoKα","","0.0327","0.0283","","0.0652","0.0638","","","","1.17","1.188","1.188","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005701","10.029","0.001","11.051","0.001","13.794","0.001","71.81","0.01","73.87","0.01","73.61","0.01","1362.9","0.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl7 N4 O P4 -","- C15 H23 Cl7 N4 O P4 -","- C30 H46 Cl14 N8 O2 P8 -","2","1","AB1378","Hökelek, T.; Kiliç, A.; Begeç, S.; Kiliç, Z.; Yildiz, M.","2-(2,6-Di-<i>tert</i>-butyl-4-methylphenoxy)-2,4,4,6,6,8,8-heptachlorocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1996","52","12","3243","3246","10.1107/S0108270196009420","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005702","6.99","0.003","13.887","0.004","16.389","0.003","90","","92.47","0.04","90","","1589.4","0.9","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N O5 P -","- C15 H20 N O5 P -","- C60 H80 N4 O20 P4 -","4","1","AB1384","Tahir, M. N.; Ülkü, D.; Yilmaz, H.; Nazir, H.","Ethyl {[<i>N</i>-(2-Hydroxyethyl)amino](2-hydroxy-1-naphthyl)methyl}phosphonate","Acta Crystallographica Section C","1996","52","12","3133","3135","10.1107/S0108270196009304","","","0.71073","MoKα","","","0.049","","","0.054","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005703","8.397","0.001","6.083","0.001","9.671","0.001","90","","111.53","0.01","90","","459.52","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Trinitro-1,3,5-benzenetriol","","- C6 H3 N3 O9 -","- C6 H3 N3 O9 -","- C12 H6 N6 O18 -","2","1","AB1389","Wolff, J. J.; Gredel, F.; Irngartinger, H.; Dreier, T.","Trinitrophloroglucinol","Acta Crystallographica Section C","1996","52","12","3225","3227","10.1107/S0108270196009523","","","0.71073","MoKα","","0.048","0.037","","","0.047","","","","","2.3","2.3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005704","14.945","0.003","11.416","0.002","9.674","0.002","90","","105.03","0.03","90","","1594","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 Cl2 N8 O2 -","- C7 H22 Cl2 N8 O2 -","- C28 H88 Cl8 N32 O8 -","4","1","AB1391","Koskinen, J.; Koskinen, M.; Mutikainen, I.; Mannfors, B.; Elo, H.","Ethylmethylglyoxal Bis(amidinohydrazonium) Dichloride‒Water (1/2)","Acta Crystallographica Section C","1996","52","12","3167","3169","10.1107/S0108270196009535","","","0.71073","MoKα","","0.1126","0.0696","","0.2017","0.1666","","","","0.944","1.025","1.025","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005705","10.745","0.001","13.546","0.002","14.3","0.002","90","","90","","90","","2081.4","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[1(1,2,3,3a,6a-η)-1,4-dihydropentalenyl]-μ-[1(1,2,3,3a,6a-η): 2(3a,4,5,6,6a-η)]pentalene-[2(η^5^)-1,2,3,4,5-pentamethylcyclopentadienyl]- cobaltiron","","- C26 H28 Co Fe -","- C26 H28 Co Fe -","- C104 H112 Co4 Fe4 -","4","1","AB1392","Miravitlles, C.; Molins, E.; Maniukiewicz, W.; Mas, M.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Alvarez-Larena, A.; Briansó, J. L.","Triple-Decker Pentalene Complex of Iron and Cobalt","Acta Crystallographica Section C","1996","52","12","3047","3049","10.1107/S0108270196009961","","","0.71069","MoKα","","0.0882","0.0335","","0.0878","0.0644","","","","0.978","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005706","5.268","0.005","9.826","0.007","16.572","0.008","90","","96.48","0.05","90","","852.3","1.1","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-[1,6-Hexanediylbis(oxy)]-bisbenzaldehyde","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","AB1393","Artzner, F.; Albouy, P.-A.; Berruyer, G.; Veber, M.; Mérienne, C.; Robert, F.","4,4'-[1,6-Hexanediylbis(oxy)]bisbenzaldehyde","Acta Crystallographica Section C","1996","52","12","3234","3236","10.1107/S0108270196009973","","","0.71069","MoKα","","","0.032","","","0.03","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005707","36.429","0.003","10.703","0.001","16.53","0.001","90","","90","","90","","6445","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H70 B18 Cl2 P4 Rh2 S2 -","- C53 H68 B18 Cl2 P4 Rh2 S2 -","- C212 H272 B72 Cl8 P16 Rh8 S8 -","4","1","AB1398","Rosair, G. M.; Welch, A. J.; Weller, A. S.","8-[1,2-Bis(diphenylphosphino)ethane]-9,10-μ-hydrido-8-rhoda-7-thia-<i>nido</i>-undecaborane(10)‒Dichloromethane (2/1)","Acta Crystallographica Section C","1996","52","12","3020","3024","10.1107/S0108270196010748","","","0.71073","MoKα","","0.0858","0.0529","","0.1406","0.1051","","","","1.104","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005708","10.572","0.011","11.07","0.01","17.109","0.014","97.05","0.07","101.34","0.09","108.38","0.09","1826","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","Bis(dianilinopyridine)tantalumtrichloride","Trichlorobis[2,6-di(phenylamino)pyridinato-N,N')tantalum(V)","","- C41 H36 Cl3 N6 Ta -","- C41 H36 Cl3 N6 Ta -","- C82 H72 Cl6 N12 Ta2 -","2","1","AB1399","Polamo, M.","Trichlorobis[2,6-di(phenylamino)pyridinato-<i>N</i>,<i>N</i>']tantalum(V) Toluene Solvate (1/1)","Acta Crystallographica Section C","1996","52","12","2977","2980","10.1107/S0108270196011328","","","0.71073","MoKα","","0.0685","0.068","","0.1908","0.1902","","","","1.152","1.162","1.162","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005709","11.505","0.002","11.785","0.002","19.95","0.003","74.93","0.02","78.32","0.02","87.122","0.013","2557.8","0.8","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]-methanol (3/2)","","- C40.66667 H40.66667 Fe O6.66667 -","- C40.6667 H40.6667 Fe O6.66667 -","- C122 H122 Fe3 O20 -","3","1.5","AB1403","Bell, W.; Ferguson, G.; Glidewell, C.","A Paucity of Hydrogen Bonds in Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]‒ Methanol (3/2)","Acta Crystallographica Section C","1996","52","12","3009","3013","10.1107/S010827019601075X","","","0.7107","MolybdenumKα","","0.2113","0.0686","","0.127","0.1035","","","","0.86","1.277","1.277","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005710","9.45","0.002","24.456","0.003","9.484","0.002","90","","103.607","0.013","90","","2130.3","0.7","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H9.722 O3 -","- C104 H77.776 O24 -","8","2","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2265","0.07","","0.2188","0.1809","","","","0.917","1.454","1.454","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005711","5.5808","0.0008","21.128","0.003","8.8006","0.0012","90","","93.192","0.01","90","","1036.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Thiodiphenol","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2068","0.0472","","0.1044","0.0837","","","","0.825","1.197","1.197","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005712","5.6703","0.0005","11.4012","0.0012","11.6108","0.0013","100.619","0.013","92.757","0.007","96.479","0.008","731.22","0.13","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Piperazine‒4,4'-sulfonyldiphenol (1/2)","piperazin-1,4-diium di(4,4'-sulfonyldiphenolate) .","","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","1","0.5","AB1418","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Piperazine‒4,4'-Sulfonyldiphenol (1/2): a Self-Assembled Channel Structure","Acta Crystallographica Section C","1996","52","12","3052","3055","10.1107/S010827019601133X","","","0.7107","MolybdenumKα","","0.0951","0.0531","","0.1416","0.1276","","","","0.981","1.127","1.127","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005713","10.689","0.001","11.577","0.001","12.355","0.001","117.86","0.01","94.35","0.01","100.75","0.01","1304.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-Tetraphenyl-5-(4-pyridyl)bicyclo[2.2.1]hept-2-ene-7-one","","- C36 H27 N O -","- C36 H27 N O -","- C72 H54 N2 O2 -","2","1","BK1217","Wheeler, K. A.; Carrow, C. J.","A Bicyclo[2.2.1]heptenone System","Acta Crystallographica Section C","1996","52","12","3183","3185","10.1107/S0108270196009821","","","0.71073","MoKα","","0.149","0.0589","","0.142","0.109","","","","1.03","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005714","14.438","0.002","14.508","0.005","16.827","0.001","73.89","0.02","68.23","0.01","87.44","0.02","3138.1","1.3","294","","294","","","","","","","","","4","P -1","-P 1","2","","2,4,6-tri-O-benzyl-myo-inositol 1,3,5-tris(dibenzyl-phosphate)","","- C69 H69 O15 P3 -","- C69 H69 O15 P3 -","- C138 H138 O30 P6 -","2","1","BK1235","Graingeot, V.; Brigando, C.; Faure, B.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-Tris(dibenzylphosphate)","Acta Crystallographica Section C","1996","52","12","3229","3232","10.1107/S0108270196010037","","","0.71073","MoKα","","0.055","0.05","","","0.066","","","","","2.18","2.18","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005715","10.02","0.003","15.493","0.004","13.851","0.005","90","","93.81","0.03","90","","2145.5","1.2","293","2","243","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N,N,N',N'-tetramethylethylenediamine)-1,1,3,3-tetrakis(trifluoromethyl) -2-oxo-propanediolato copper(II)","","- C15 H19 Cu F12 N2 O3 -","- C15 H19 Cu F12 N2 O3 -","- C60 H76 Cu4 F48 N8 O12 -","4","1","BK1239","George, C.; Purdy, A. P.","[2,2'-Oxybis(1,1,1,3,3,3-hexafluoro-2-propanolato-<i>O</i>)](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II) Hemibenzene Solvate","Acta Crystallographica Section C","1996","52","12","2987","2989","10.1107/S0108270196010700","","","0.71073","MoKα","","0.104","0.052","","0.125","0.1017","","","","1.03","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005716","18.104","0.003","7.6912","0.0011","17.6","0.003","90","","93.687","0.007","90","","2445.6","0.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Diaqua-bis(2,2'-bipyrimidine-N,N')cobalt(II) Diperchlorate Dihydrate","","- C16 H20 Cl2 Co N8 O12 -","- C16 H20 Cl2 Co N8 O12 -","- C64 H80 Cl8 Co4 N32 O48 -","4","0.5","BK1247","Brunzelle, J.; Fitch, A.; Wang, Y.; Pavkovic, S. F.","<i>cis</i>-Diaquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')cobalt(II) Diperchlorate Dihydrate, [Co(C~8~H~6~N~4~)~2~(H~2~ O)~2~](ClO~4~)~2~.2H~2~O","Acta Crystallographica Section C","1996","52","12","2984","2987","10.1107/S0108270196010426","","","0.7107","MoKα","","0.0392","0.034","","0.102","0.0988","","","","1.06","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005717","5.655","0.001","12.248","0.002","4.736","0.001","99.54","0.01","106.34","0.01","96.27","0.01","306.19","0.1","173","","173","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","1","1","BK1257","Ojala, W. H.; Gleason, W. B.","Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative","Acta Crystallographica Section C","1996","52","12","3188","3190","10.1107/S0108270196009882","","","1.5418","CuKα","","","0.027","","","0.033","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005718","10.4304","0.0003","10.8912","0.0009","15.8159","0.0015","72.231","0.007","72.719","0.011","82.798","0.007","1632.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Fe N5 O3 -","- C36 H44 Fe N5 O3 -","- C72 H88 Fe2 N10 O6 -","2","1","BK1259","Ellison, M. K.; Shang, M.; Kim, J.; Scheidt, W. R.","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","Acta Crystallographica Section C","1996","52","12","3040","3043","10.1107/S0108270196010062","","","0.71073","MoKα","","0.0932","0.06","","0.1548","0.134","","","","1.027","1.071","1.071","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005719","10.058","0.001","4.971","0.002","22.924","0.002","90","","97.897","0.009","90","","1135.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2-naphthylbutyric acid","4-(2-naphthyl)butanoic acid","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BK1262","Dobson, A. J.; Gerkin, R. E.","4-(2-Naphthyl)butanoic Acid","Acta Crystallographica Section C","1996","52","12","3083","3086","10.1107/S0108270196009547","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005720","5.737","0.002","11.622","0.003","20.827","0.005","90","","93.61","0.02","90","","1385.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 B P -","- C12 H26 B P -","- C48 H104 B4 P4 -","4","1","BK1263","Day, M. W.; Mohr, B.; Grubbs, R. H.","(Dicyclohexylphosphino)borane, BH~3~PH(C~6~H~11~)~2~, a Precursor to Water-Soluble Phosphine Ligands","Acta Crystallographica Section C","1996","52","12","3106","3108","10.1107/S0108270196010050","","","0.71073","MoKα","","0.055","0.043","","0.092","0.087","","","","2.29","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005721","11.4","0.002","7.135","0.001","13.113","0.002","90","","114.49","0.01","90","","970.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(oxydiacetato-O,O',O'')strontium(II) Monohydrate","","- C4 H12 O9 Sr -","- C4 H12 O9 Sr -","- C16 H48 O36 Sr4 -","4","1","BK1264","Baggio, R.; Perec, M.; Garland, M. T.","Triaqua(oxydiacetato-<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) Monohydrate","Acta Crystallographica Section C","1996","52","12","2996","2999","10.1107/S0108270196010049","","","0.71073","MoKα","","0.0501","0.034","","0.085","0.0771","","","","1.029","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005722","40.877","0.002","6.96","0.003","7.371","0.002","90","","90","","90","","2097.1","1.1","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","3-phenylsalicylic acid","2-hydroxybiphenyl-3-carboxylic acid","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","BK1266","Dobson, A. J.; Gerkin, R. E.","2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid)","Acta Crystallographica Section C","1996","52","12","3088","3091","10.1107/S0108270196010530","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005723","7.317","0.0001","17.3766","0.0001","19.7908","0.0003","90","","98.025","0.001","90","","2491.65","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(2,6-diacetylpyridinedi(benzoic acid hydrazone)nitratocobalt(II) nitrate","","- C23 H23 Co N7 O9 -","- C23 H23 Co N7 O9 -","- C92 H92 Co4 N28 O36 -","4","1","BK1270","Abboud, K. A.; Palenik, R. C.; Palenik, G. J.","Aqua[2,6-diacetylpyridinedi(benzoic acid hydrazone)]nitratocobalt(II) Nitrate at 173K","Acta Crystallographica Section C","1996","52","12","2994","2996","10.1107/S0108270196011407","","","0.71073","MoKα","","0.0406","0.034","","0.095","0.0879","","","","1.04","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005724","10.659","0.005","15.827","0.006","17.315","0.003","65.22","0.02","81.6","0.02","81.69","0.03","2612.3","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","9,10-bis(1-pyridylmethyl)anthracene dichloride dimethanol water solvate","","- C28 H32 Cl2 N2 O3 -","- C28 H32 Cl2 N2 O3 -","- C112 H128 Cl8 N8 O12 -","4","2","BK1271","Bryan, J. C.; Gakh, A. A.; Sachleben, R. A.","9,10-Bis(1-pyridiniomethyl)anthracene Dichloride‒Methanol‒Water (1/2/1)","Acta Crystallographica Section C","1996","52","12","3091","3093","10.1107/S0108270196011432","","","0.71073","MoKα","","0.075","0.038","","0.118","0.101","","","","1.01","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005725","12.529","0.004","12.529","0.004","12.635","0.008","90","","90","","90","","1983.4","1.5","233","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C19 H14 Cl2 Mn2 O6 -","- C19 H12 Cl2 Mn2 O6 -","- C76 H48 Cl8 Mn8 O24 -","4","0.25","BK1272","Utz, T. L.; Geib, S. J.; Cooper, N. J.","Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i>","Acta Crystallographica Section C","1996","52","12","2992","2994","10.1107/S0108270196010815","","","0.71073","MoKα","","0.0835","0.052","","0.155","0.1253","","","","1.062","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005726","10.413","0.002","15.7825","0.0013","15.503","0.002","90","","99.513","0.007","90","","2512.8","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,10-bis(7-fluoro-2,5-dioxaheptyl)triptycene","","","- C30 H32 F2 O4 -","- C30 H32 F2 O4 -","- C120 H128 F8 O16 -","4","1","BK1273","Gakh, A. A.; Bryan, J. C.; Sachleben, R. A.","9,10-Bis(7-fluoro-2,5-dioxaheptyl)triptycene","Acta Crystallographica Section C","1996","52","12","3093","3095","10.1107/S0108270196010694","","","0.71073","MoKα","","0.035","0.035","","0.095","0.095","","","","1.017","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005727","6.9888","0.001","5.6836","0.0005","16.019","0.002","90","","101.822","0.011","90","","622.8","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-(Di-2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","","- C10 H6 N4 S4 -","- C10 H6 N4 S4 -","- C20 H12 N8 S8 -","2","0.5","BK1274","Barclay, T. M.; Cordes, A. W.; Oakley, R. T.; Preuss, K. E.","3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1996","52","12","3250","3252","10.1107/S0108270196010797","","","0.7107","MolybdenumKα","","0.035","0.035","","0.059","0.059","","","","","1.05","1.05","","","","","has coordinates,has disorder","200183","2020-10-21","18:00:00",""
"2005728","8.7472","0.0007","34.341","0.006","18.952","0.002","90","","97.854","0.007","90","","5639.5","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-bipyridine-1κ^2^N)(2,2':6',2''-terpyridine-1κ^3^N)(pentaammino-2κ^5^N)- (μ-4,4'-bipyridine-N,N')diruthenium Tetrakis(pentafluorophosphate) Acetonitrile Solvate","","- C37 H45 F24 N13 P4 Ru2 -","- C37 H42 F24 N13 P4 Ru2 -","- C148 H168 F96 N52 P16 Ru8 -","4","1","BK1275","Szalda, D. J.; Fagalde, F.; Katz, N. E.","Pentaammine-2κ^5^<i>N</i>-(μ-4,4'-bipyridine-1κ<i>N</i>:2κ<i>N</i>')(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')(2,2':6',2''-terpyridine-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')diruthenium Tetrakis(hexafluorophosphate) Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","12","3013","3016","10.1107/S0108270196011249","","","1.5418","CuKα","","0.1361","0.066","","0.2086","0.177","","","","0.925","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005729","10.6297","0.001","6.2597","0.0004","9.9677","0.0007","90","","93.034","0.007","90","","662.31","0.09","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,1,3,3-tetramethylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","0.5","BM1063","Frampton, C. S.; Parkes, K. E. B.","1,1,3,3-Tetramethylurea","Acta Crystallographica Section C","1996","52","12","3246","3248","10.1107/S0108270196011146","","","1.54178","CuKα","","0.0372","0.0337","","0.1309","0.0994","","","","1.064","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005730","7.974","0.002","21.692","0.004","10.038","0.007","90","","90","","90","","1736.3","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 B2 Cu F8 N4 -","- C12 H16 B2 Cu F8 N4 -","- C48 H64 B8 Cu4 F32 N16 -","4","0.5","BM1074","Narayanan, B.; Bhadbhade, M. M.","Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","12","3049","3051","10.1107/S0108270196007354","","","0.71073","MoKα","","0.0628","0.0346","","0.1014","0.0925","","","","0.991","1.168","1.168","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005731","9.625","0.003","20.989","0.003","17.653","0.002","90","","90","","90","","3566.2","1.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O12 Si2 -","- C32 H46 N2 O12 Si2 -","- C128 H184 N8 O48 Si8 -","4","1","BM1085","Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M.","An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4‒)]diphenyldisilicate","Acta Crystallographica Section C","1996","52","12","3179","3181","10.1107/S0108270196009432","","","0.71073","MoKα","","","0.049","","","0.064","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005732","12.443","0.01","13.286","0.009","13.093","0.008","90","","108.37","0.05","90","","2054","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilopropylidyne)]diphenol","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.073","0.0453","","0.1052","0.0985","","","","0.852","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005733","10.261","0.009","10.786","0.006","12.425","0.005","99.39","0.06","110.22","0.05","99.35","0.05","1237","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilophenylmethylidyne)]diphenol","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.0676","0.0514","","0.1402","0.1259","","","","0.95","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005734","5.806","0.001","7.714","0.002","17.081","0.003","90","","90","","90","","765","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Me-alpha-D lyxopyranoside","Methyl alpha-D lyxopyranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","BM1092","Evdokimov, A. G.; Frolow, F.","Methyl α-<small>D</small>-Lyxopyranoside","Acta Crystallographica Section C","1996","52","12","3218","3219","10.1107/S0108270196009122","","","0.71073","MoKα","","0.0599","0.0577","","0.1502","0.1464","","","","1.073","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005735","9.0659","0.0009","10.0897","0.001","10.4858","0.001","109.35","0.011","108.26","0.011","97.64","0.01","828.86","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","6-ammonio-1H^+^-1,4,8,11-tetraazacyclotridecane-5,7-dione dichloride methanol solvate","","- C10 H25 Cl2 N5 O3 -","- C10 H25 Cl2 N5 O3 -","- C20 H50 Cl4 N10 O6 -","2","1","BM1095","Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M.","6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative","Acta Crystallographica Section C","1996","52","12","3100","3102","10.1107/S0108270196009559","","","0.71073","MoKα","","0.04","0.04","","0.052","0.052","","","","1.753","1.753","1.753","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005736","11.911","0.009","15.794","0.008","7.468","0.014","90","","90","","90","","1405","3","153","","153","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C68 H48 N16 S4 -","4","1","BM1096","Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W.","5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur","Acta Crystallographica Section C","1996","52","12","3163","3165","10.1107/S0108270196010839","","","0.71073","MoKα","","","0.0594","","","0.0632","","","","","1.746","1.746","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005737","7.7176","0.0016","17.328","0.004","7.8162","0.0015","90","","93.62","0.016","90","","1043.2","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-fluoro-11β-hydroxy-21-methoxy-16α-methyl-pregna-1,4-diene-3,20,21-trione","","- C23 H29 F O5 -","- C23 H29 F O5 -","- C46 H58 F2 O10 -","2","1","BM1097","Negriolli, J.; Evain, M.; André, F.","A Corticosteroid Ester","Acta Crystallographica Section C","1996","52","12","3102","3104","10.1107/S0108270196009444","","","0.71073","MoKα","","0.059","0.059","","0.059","0.059","","","","1.421","1.421","1.421","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005738","10.806","0.001","21.947","0.004","9.614","0.004","90","","90","","90","","2280","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S),(E)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","BM1098","Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E.","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1996","52","12","3227","3229","10.1107/S0108270196011158","","","1.5418","CuKα","","0.0406","0.0347","","0.0977","0.0963","","","","1.045","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005739","6.276","0.001","15.232","0.001","16.616","0.002","90","","90","","90","","1588.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-N-formylnornuciferin","4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","BM1101","Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.","(<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>","Acta Crystallographica Section C","1996","52","12","3195","3196","10.1107/S0108270196010360","","","0.71073","MoKα","","0.095","0.041","","0.03","0.028","","","","2.131","2.484","2.484","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005740","12.454","0.007","11.382","0.008","17.841","0.007","90","","90","","90","","2529","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-4-imidazoline-2-thione","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C120 H96 N16 S8 -","8","1","BM1103","Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.","1,3-Diphenyl-4-imidazoline-2-thione","Acta Crystallographica Section C","1996","52","12","3152","3154","10.1107/S0108270196010931","","","0.71073","MoKα","","0.0941","0.0492","","0.1075","0.0971","","","","0.82","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005741","8.518","0.002","16.514","0.003","17.25","0.003","90","","90","","90","","2426.5","0.8","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5R-(2,3,4-Tri-O-acetyl-β-D-xylopyranosyl)-5-(2,3-O-isopropylidene- 1-O-methyl-α-D-lyxo-tetrafuranos-4-yl)-4,5-dihydroisoxazole","","- C22 H31 N O12 -","- C22 H31 N O12 -","- C88 H124 N4 O48 -","4","1","BM1111","Ferguson, W. J.; Parsons, S.; Paton, R. M.","The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside","Acta Crystallographica Section C","1996","52","12","3067","3069","10.1107/S010827019601178X","","","1.54184","CuKα","","0.0827","0.0569","","0.1226","0.1073","","","","1.065","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005742","14.8887","0.001","20.4239","0.0013","7.1847","0.0005","90","","100.743","0.002","90","","2146.5","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 8-chlorobicyclo[7.1.0]deca-1,8-dien-4-yn-2-carboxylate","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C96 H88 Cl8 O16 -","8","2","BM1113","Clegg, W.; Al Dulayymi, A. R.; Baird, M. S.","A Strained Cyclononadienyne","Acta Crystallographica Section C","1996","52","12","3219","3222","10.1107/S0108270196012152","","","0.71073","MoKα","","0.0824","0.0454","","0.1133","0.0999","","","","1.02","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005743","10.076","0.001","10.076","0.001","6.807","0.001","90","","90","","120","","598.4","0.2","296","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","","Chlorapatite: Ca~5~(AsO~4~)~3~Cl","Acta Crystallographica C","1996","52","","2959","2960","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005744","7.004","0.001","5.374","0.0008","8.691","0.001","90","","110.18","0.01","90","","307.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium yttrium diphosphate","","- Na O7 P2 Y -","- Na O7 P2 Y -","- Na2 O14 P4 Y2 -","2","1","BR1148","Hamady, A.; Jouini, T.","NaYP~2~O~7~","Acta Crystallographica Section C","1996","52","12","2949","2951","10.1107/S0108270196009626","","","0.71069","MoKα","","0.0718","0.0425","","0.1023","0.091","","","","1.087","1.159","1.159","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005745","15.555","0.002","7.5692","0.0006","17.362","0.007","90","","90.598","0.014","90","","2044.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubidium Indium Antimonide","Dirubidium phyllo-triantimonododiindate","","- In2 Rb2 Sb3 -","- In2 Rb2 Sb3 -","- In16 Rb16 Sb24 -","8","2","BR1152","Gourdon, O.; Boucher, F.; Gareh, J.; Evain, M.; O'Connor, C.; Jin-Seung, J.","Rubidium Indium Antimonide, Rb~2~In~2~Sb~3~","Acta Crystallographica Section C","1996","52","12","2963","2964","10.1107/S0108270196010104","","","0.56086","AgKα","","0.1039","0.0388","","0.0732","0.0637","","","","0.699","0.874","0.874","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005746","12.632","0.003","13.618","0.002","7.2249","0.0007","90","","90","","90","","1242.8","0.4","292","","292","","","","","","","","","7","P n m a","-P 2ac 2n","62","Gadolinium potassium iron hexacyanide trihydrate","Gadolinium potassium hexacyanoferrate (II) trihydrate","","- C6 H6 Fe Gd K N6 O3 -","- C6 Fe Gd K N6 O3 -","- C24 Fe4 Gd4 K4 N24 O12 -","4","0.5","BR1153","Mullica, D. F.; Ward, J. L.; Sappenfield, E. L.","Gadolinium Potassium Hexacyanoferrate(II) Trihydrate","Acta Crystallographica Section C","1996","52","12","2956","2959","10.1107/S0108270196010840","","","0.71073","MoKα","","0.027","0.023","","0.407","0.043","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005747","13.904","0.002","17.525","0.002","13.406","0.002","90","","95.964","0.006","90","","3248.9","0.8","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide","","- C23 H30 N8 Ni S6 -","- C23 H20 N8 Ni S6 -","- C92 H80 N32 Ni4 S24 -","4","1","CF1075","Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide","Acta Crystallographica Section C","1996","52","12","3030","3033","10.1107/S0108270196009663","","","0.71073","MoKα","","0.0544","0.0443","","0.1063","0.0994","","","","1.083","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005748","25.348","0.003","7.8824","0.0007","11.928","0.001","90","","96.8","0.02","90","","2366.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","C24 H29 O9 Cl","18-chloro,4α-hydroxy derivative of 19-acetylteupolin IV","","- C24 H29 Cl O9 -","- C24 H29 Cl O9 -","- C96 H116 Cl4 O36 -","4","1","CF1084","","An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest","Acta Crystallographica C","1996","52","","3157","3159","10.1107/S0108270196009110","","","1.5418","CuKα","","0.0554","0.0522","","0.1322","0.1288","","","","1.016","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005749","20.074","0.004","14.331","0.003","23.334","0.005","90","","106.77","0.03","90","","6427","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(hexafluoroacetylacetonato)barium^.^(pentaglyme)","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)barium^.^(2,5,8,11,14,17- hexaoxaoctadecane)","","- C22 H28 Ba F12 O10 -","- C22 H28 Ba F12 O10 -","- C176 H224 Ba8 F96 O80 -","8","1","CF1089","Motevalli, M.; O'Brien, P.; Watson, I. M.","Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(2,5,8,11,14,17-hexaoxaoctadecane)barium","Acta Crystallographica Section C","1996","52","12","3028","3030","10.1107/S0108270196011122","","","0.71073","MoKα","","0.0455","0.037","","0.1108","0.106","","","","1.07","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005750","12.334","0.002","11.742","0.003","13.236","0.002","90","","116.9","0.01","90","","1709.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(N'-Benzoylimino)-5H-benzimidazo[2,1-b][1,3,5]benzothiadiazepine","","- C21 H14 N4 O S -","- C21 H14 N4 O S -","- C84 H56 N16 O4 S4 -","4","1","CF1101","Song, C. E.; Jin, B. W.; Jeong, J. H.","12-(<i>N</i>-Benzoylimino)-11,12-dihydrobenzimidazo[2,1-<i>b</i>][1,3,5]benzothiadiazepine","Acta Crystallographica Section C","1996","52","12","3131","3133","10.1107/S0108270196009249","","","0.71073","MoKα","","0.0738","0.0613","","0.1126","0.1068","","","","1.148","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005751","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.6","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica C","1996","52","","2945","2947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005752","9.841","0.001","21.845","0.002","13.015","0.003","90","0.2","94.43","0.05","90","0.3","2789.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl2 N6 O4 -","- C28 H23 Cl2 N6 O4 -","- C112 H92 Cl8 N24 O16 -","4","1","CF1108","Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M.","A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine","Acta Crystallographica Section C","1996","52","12","3213","3215","10.1107/S0108270196009675","","","0.71073","MoKα","","0.144","0.057","","","0.082","","","","","2.885","2.885","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005753","9.414","0.001","10.339","0.002","14.675","0.002","90","","102.1","0.02","90","","1396.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","penicillin V benzhydryl ester sulfoxide","diphenylmethyl 3,3-dimethyl- 7-oxo-6-phenoxyacetamido-4-thia-1-azabicylo[3.2.0] heptane-2-carboxylate-4-oxide monohydrate","","- C29 H30 N2 O7 S -","- C29 H30 N2 O7 S -","- C58 H60 N4 O14 S2 -","2","1","CF1116","Yoon, T.-S.; Shin, W.","Penicillin V Benzhydryl Ester Sulfoxide Monohydrate","Acta Crystallographica Section C","1996","52","12","3142","3144","10.1107/S0108270196009250","","","1.5418","CuKα","","0.0479","0.0341","","0.0905","0.0854","","","","1.069","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005754","23.896","0.002","10.608","0.004","20.173","0.003","90","","114.218","0.006","90","","4663.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 B10 P -","- C20 H25 B10 P -","- C160 H200 B80 P8 -","8","2","CF1123","McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C.","1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","12","3135","3138","10.1107/S0108270196009109","","","0.71073","MoKα","","0.1776","0.0689","","0.181","0.1294","","","","0.988","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005755","9.747","0.002","5.747","0.001","18.971","0.004","90","","91.08","0.03","90","","1062.5","0.4","205","2","205","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C44 H58 N2 O12 -","2","1","CF1124","Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol","Acta Crystallographica Section C","1996","52","12","3197","3198","10.1107/S0108270196009687","","","0.71073","MoKα","","0.0876","0.0732","","0.1824","0.1696","","","","1.038","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005756","7.43","0.001","14.676","0.002","13.406","0.002","90","","91.06","0.01","90","","1461.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis(pyridino)tungsten(0)","","- C14 H10 N2 O4 W -","- C14 H10 N2 O4 W -","- C56 H40 N8 O16 W4 -","4","0.5","CF1125","Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L.","<i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~]","Acta Crystallographica Section C","1996","52","12","3039","3040","10.1107/S0108270196010128","","","0.71073","MoKα","","0.022","0.0185","","0.0456","0.0447","","","","1.009","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005757","11.628","0.002","5.5524","0.0006","23.931","0.003","90","","96.82","0.02","90","","1534.1","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Thiodiphenol-piperazine (1/1)","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C64 H80 N8 O8 S4 -","4","0.5","CF1131","Coupar, P. I.; Ferguson, G.; Glidewell, C.","N—H···pi(arene) Hydrogen Bonding in 4,4'-Thiodiphenol-Piperazine (1/1)","Acta Crystallographica Section C","1996","52","12","3055","3057","10.1107/S010827019601013X","","","0.7107","MolybdenumKα","","0.1329","0.0543","","0.1155","0.0994","","","","0.937","1.179","1.179","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005758","17.494","0.003","9.172","0.002","17.388","0.003","90","","116.7","0.1","90","","2492","2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","β-meso (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazzcyclo- tetradecane) Nickel(II) Diperchlorate Monohydrate","","- C16 H38 Cl2 N4 Ni O9 -","- C16 H38 Cl2 N4 Ni O9 -","- C64 H152 Cl8 N16 Ni4 O36 -","4","1","DE1023","Wang, A.; Lee, T.-J.; Chen, B.-H.; Yuan, Y.-Z.; Chung, C.-S.","β-<i>meso</i>-(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) Diperchlorate Monohydrate","Acta Crystallographica Section C","1996","52","12","3033","3035","10.1107/S0108270196010608","","","0.71069","MoKα","","","0.0596","","","0.0581","","","","","1.81","1.81","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2005759","6.06","0.002","7.185","0.003","16.872","0.006","101.44","0.03","91.93","0.03","86.93","0.04","718.8","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C38 H26 N2 O6 -","2","1","DE1029","Raj, S. S. S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.","1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section C","1996","52","12","3145","3146","10.1107/S0108270196009377","","","1.54184","CuKα","","","0.058","","","0.064","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005760","7.694","0.0001","11.135","0.0001","17.6949","0.0001","90","","101.62","0.01","90","","1484.9","0.06","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","DE1035","Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D.","1-Methyl-2-phenyldecahydroquinolin-4-one Oxime","Acta Crystallographica Section C","1996","52","12","3177","3179","10.1107/S0108270196009456","","","1.54184","CuKα","","","0.05","","","0.067","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005761","4.6512","0.0016","6.3261","0.0024","7.499","0.003","101.375","0.023","105.923","0.017","101.237","0.019","200.63","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Al2 Fe3 Si3 -","- Al2 Fe3 Si3 -","- Al4 Fe6 Si6 -","2","1","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.068","0.056","","0.031","0.031","","","","1.217","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005762","3.6687","0.0015","12.385","0.007","10.147","0.005","90","","90","","90","","461","0.4","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 Fe3 Si4 -","- Al2 Fe3 Si4 -","- Al8 Fe12 Si16 -","4","0.25","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.065","0.061","","0.039","0.039","","","","1.638","1.685","1.685","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005763","8.648","0.002","8.8428","0.0007","12.316","0.002","90","","90.13","0.02","90","","941.8","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- In1.5 Li2 Nb0.5 O12 P3 -","- In1.34 Li2 Nb0.66 O12 P3 -","- In5.36 Li8 Nb2.64 O48 P12 -","4","1","DU1158","Cieren, X.; Jaulmes, S.; Angenault, J.; Couturier, J. C.; Quarton, M.","La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~","Acta Crystallographica Section C","1996","52","12","2967","2969","10.1107/S0108270196008153","","","0.71069","MoKα","","","0.0527","","","0.0525","","","","","25.9","25.9","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005764","24.904","0.005","6.029","0.0012","5.164","0.001","90","","90","","90","","775.4","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2H-1,3-Benzoxazine-2,4(1H)-dione","","- C8 H4 Br N O3 -","- C8 H4 Br N O3 -","- C32 H16 Br4 N4 O12 -","4","1","DU1159","Lubini, P.; Wouters, J.","6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K","Acta Crystallographica Section C","1996","52","12","3108","3110","10.1107/S0108270196008888","","","0.71073","MoKα","","0.0625","0.0559","","0.1424","0.1343","","","","1.026","1.02","1.02","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005765","17.479","0.004","8.929","0.002","11.959","0.003","90","","113.1","0.2","90","","1717","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenyl diarseniate de potassium","","- As4 K2 Mo3 O20 -","- As4 K2 Mo3 O20 -","- As16 K8 Mo12 O80 -","4","0.5","DU1162","Zid, M. F.; Jouini, T.","K~2~MoO~2~(MoO~2~As~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","12","2947","2949","10.1107/S0108270196008700","","","0.71069","MoKα","","0.0436","0.0303","","0.0744","0.067","","","","1.106","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005766","4.8366","0.0007","12.539","0.0009","9.3207","0.0009","90","","93.03","0.01","90","","564.47","0.11","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","sym-Hexahydropyrene","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","FG1217","A. J. Dobson; R. E. Gerkin","<i>sym</i>-Hexahydropyrene","Acta Crystallographica Section C","1996","52","12","3086","3088","10.1107/S0108270196010013","","","0.71073","MoKα","","","0.035","","","0.047","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005767","16.094","0.001","16.094","0.001","6.717","0.001","90","","90","","120","","1506.7","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Chlorotris(m-methoxyphenyl)Tin(IV)","Chlorotris(m-methoxyphenyl)Tin(IV)","","- C21 H21 Cl O3 Sn -","- C21 H21 Cl O3 Sn -","- C63 H63 Cl3 O9 Sn3 -","3","0.333333","FG1223","Wharf, I.; Lebuis, A.-M.","Chlorotris(<i>m</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","12","3025","3027","10.1107/S0108270196012115","","","0.7093","MoKα","","0.0246","0.0244","","0.0522","0.0521","","","","1.049","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005768","8.1693","0.0005","21.7076","0.0012","8.375","0.0008","90","","96.515","0.009","90","","1475.6","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-1,11-dimethyl-3,9-dinitro-5,7-dihydrodibenz[c,e]oxepin","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C64 H56 N8 O20 -","4","1","FG1226","Roszak, A. W.; Williams, V. E.; Lemieux, R. P.","(±)-1,11-Dimethyl-3,9-dinitro-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","1996","52","12","3190","3193","10.1107/S0108270196011900","","","1.54178","CuKα","","0.073","0.0498","","0.1691","0.1419","","","","1.116","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005769","6.4957","0.0006","24.723","0.002","5.1393","0.0004","90","","90","","90","","825.34","0.12","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","FG1227","Davidson, J. S.; Trotter, J.","5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3236","3238","10.1107/S0108270196011912","","","1.5418","CuKα","","0.055","0.031","","0.049","0.041","","","","1.6","1.51","1.51","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005770","11.963","0.001","11.963","0.001","15.282","0.002","90","","90","","90","","2187.1","0.4","296","","296","","","","","","","","","4","I 41 c d","I 4bw -2c","110","γ-aminobutyric acid","4-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","1","FR1001","Dobson, A. J.; Gerkin, R. E.","γ-Aminobutyric Acid: a Novel Tetragonal Phase","Acta Crystallographica Section C","1996","52","12","3075","3078","10.1107/S0108270196010001","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005771","15.962","0.002","5.218","0.002","9.613","0.002","90","","90","","90","","800.7","0.4","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-acetylbenzoic acid, phthalide form","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1004","Dobson, A. J.; Gerkin, R. E.","2-Acetylbenzoic Acid: Phthalide Form","Acta Crystallographica Section C","1996","52","12","3078","3081","10.1107/S0108270196010414","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005772","11.342","0.001","5.517","0.001","13.823","0.001","90","","106.39","0.01","90","","829.81","0.18","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coumarin-3-carboxylic acid","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","FR1005","Dobson, A. J.; Gerkin, R. E.","Coumarin-3-carboxylic Acid","Acta Crystallographica Section C","1996","52","12","3081","3083","10.1107/S0108270196010852","","","0.71073","MoKα","","","0.037","","","0.045","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005773","7.46","0.001","17.118","0.003","20.707","0.003","90","","90","","90","","2644.3","0.7","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pregnenolone-4-allyloxybenzoate","Pregn-5-en-20-one-3-yl_4-allyloxybenzoate","","- C31 H40 O4 -","- C31 H40 O4 -","- C124 H160 O16 -","4","1","HA1161","Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W.","Oxopregnenyl 4-Allyloxybenzoate","Acta Crystallographica Section C","1996","52","12","3181","3183","10.1107/S0108270196005562","","","0.71073","MoKα","","","0.079","","","0.053","","","","","2.473","2.473","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005774","33.01","0.03","7.915","0.004","7.096","0.004","90","","90","","90","","1854","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine (S)-mandelic acid salt","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","HA1167","Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M.","(<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine‒ <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist","Acta Crystallographica Section C","1996","52","12","3147","3150","10.1107/S0108270196009614","","","1.54178","CuKα","","0.072","0.0302","","0.0768","0.0602","","","","1.027","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005775","10.246","0.003","16.104","0.005","10.462","0.005","90","","106.94","0.02","90","","1651.3","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S3 -","- C16 H18 N2 O2 S3 -","- C64 H72 N8 O8 S12 -","4","1","HA1177","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","4,7-Bis(2-thiophenoyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","1996","52","12","3062","3064","10.1107/S0108270196012012","","","0.71073","MoKα","","0.0445","0.0317","","0.0895","0.0746","","","","1.073","1.059","1.059","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005776","7.189","0.001","7.744","0.002","9.331","0.002","90","0.02","110.32","0.04","90","0.03","487.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li Ni1.5 O7 P2 -","- Li Ni1.5 O7 P2 -","- Li4 Ni6 O28 P8 -","4","1","JZ1112","Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.","A Mixed Nickel‒Lithium Pyrophosphate, LiNi~1.5~P~2~O~7~","Acta Crystallographica Section C","1996","52","12","2960","2963","10.1107/S0108270196002739","","","0.71073","MoKα","","0.03","0.028","","","0.04","","","","","1.521","1.521","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005777","13.885","0.001","13.885","0.001","26.207","0.003","90","","90","","90","","5052.5","0.8","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H30 Cd I4 S2 -","- C12 Cd I4 S2 -","- C96 Cd8 I32 S16 -","8","0.5","JZ1124","Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, P. H.","Bis(triethylsulfonium) Tetraiodocadmate(II)","Acta Crystallographica Section C","1996","52","12","3045","3047","10.1107/S0108270196006956","","","0.7107","MoKα","","","0.0486","","","0.0525","","","","","1.702","1.702","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2005778","11.916","0.002","9.2894","0.0013","12.835","0.002","90","","117.607","0.011","90","","1259","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-1,3-dimethyl-5-(3-penten-2-one-4-yl)-aminouracil","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","JZ1155","Jimenez-Pulido, S. B.; Low, J. N.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2-yl)aminouracil","Acta Crystallographica Section C","1996","52","12","3110","3112","10.1107/S0108270196010773","","","0.7107","MolybdenumKα","","0.1272","0.0477","","0.1361","0.1164","","","","0.929","1.216","1.216","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005779","6.284","0.001","23.51","0.001","9.033","0.001","90","","101.7","0.01","90","","1306.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra(2-pyridinium)pyrazine-tetrachloride-dihydrate","","- C24 H24 Cl4 N6 O2 -","- C24 H24 Cl4 N6 O2 -","- C48 H48 Cl8 N12 O4 -","2","0.5","JZ1156","Graf, M.; Stoeckli-Evans, H.","Tetraprotonated Tetra(2-pyridyl)pyrazine: Pyrazine-2,3,5,6-tetra(2-pyridinium) Tetrachloride Dihydrate","Acta Crystallographica Section C","1996","52","12","3073","3075","10.1107/S0108270196010943","","","0.71073","MoKα","","0.0505","0.0323","","0.0955","0.08","","","","1.108","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005780","7.939","0.002","7.713","0.003","25.291","0.006","90","","90","","90","","1548.7","0.8","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","KA1169","Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P.","({-})-Thebaine","Acta Crystallographica Section C","1996","52","12","3193","3195","10.1107/S0108270196005392","","","0.71073","Mo-Kα","","","0.042","","","0.054","","","","","1.874","1.874","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005781","9.4429","0.0006","11.3908","0.0008","21.123","0.002","90","0.007","90","0.008","90","0.005","2272","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","KA1190","Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.","(3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3165","3167","10.1107/S0108270196009754","","","0.71073","MoKα","","0.0709","0.0325","","0.0876","0.0744","","","","1.045","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005782","5.202","0.001","16.329","0.005","9.745","0.007","90","","98.33","0.04","90","","819","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Zearalenone","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","KA1200","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1<i>H</i>-2-benzoxacyclotetradecin-1,7(8<i>H</i>)-dione (Zearalenone)","Acta Crystallographica Section C","1996","52","12","3095","3097","10.1107/S0108270196011055","","","1.54178","CuKα","","0.0653","0.0503","","0.0852","0.08","","","","1.166","1.287","1.287","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005783","11.929","0.003","9.357","0.003","10.434","0.003","90","","113.32","0.02","90","","1069.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis-(4-methoxybenziliden)ethylendiamine:Hydroquinone (1:1)","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","KA1210","Panneerselvam, K.; Soriano-García, M.; Reyes-Arellano, A.; Tamariz-Mascarúa, J.; Mendoza-Sánchez, R. I.","The 1:1 Molecular Complex of <i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)ethylenediamine and Hydroquinone","Acta Crystallographica Section C","1996","52","12","3098","3100","10.1107/S0108270196011067","","","1.54178","CuKα","","0.0393","0.035","","0.0952","0.0904","","","","1.098","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005784","10.739","0.003","15.452","0.005","14.522","0.005","90","","109.59","0.03","90","","2270.3","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-dihydroxy-1-nitro-anthraquinone","4,5-dihydroxy-1-nitro-9,10-anthracenedione","","- C14 H7 N O6 -","- C14 H7 N O6 -","- C112 H56 N8 O48 -","8","2","KA1211","Yatsenko, A. V.; Paseshnichenko, K. A.; Popov, S. I.","4,5-Dihydroxy-1-nitroanthracene-9,10-dione","Acta Crystallographica Section C","1996","52","12","3258","3260","10.1107/S0108270196011754","","","0.71073","MoKα","","0.0839","0.044","","0.1204","0.1065","","","","0.912","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005785","17.5555","0.0011","7.3717","0.0007","26.736","0.002","90","","90","","90","","3460","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-2-acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","KA1212","Li, S.; Lundquist, K.; Stomberg, R.","(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene","Acta Crystallographica Section C","1996","52","12","3118","3121","10.1107/S0108270196011079","","","0.71069","MoKα","","0.1793","0.0474","","0.1629","0.1035","","","","1","1.081","1.081","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005786","10.477","0.002","6.953","0.001","19.865","0.003","90","","99.55","0.02","90","","1427","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","KA1215","Krieger, C.; Neugebauer, F. A.","Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals","Acta Crystallographica Section C","1996","52","12","3124","3126","10.1107/S0108270196011092","","","0.71073","MoKα","","0.041","0.057","","","0.05","","","","","2.187","2.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005787","14.79","0.002","8.562","0.0012","14.38","0.003","90","","98.853","0.0013","90","","1799.3","0.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 2-fluoro-2(p-toluoyl)-3-oxo-3-(p-tolyl)propanoate","","- C20 H19 F O4 -","- C20 H19 F O4 -","- C80 H76 F4 O16 -","4","1","KH1096","Kim, M.-J.; Shin, J.-C.; Lee, J.-H.; Rhie, D.-Y.; Kim, D.-Y.; Suh, I.-H.; Choi, S.-S.; Jensen, W. P.; Lewis, D. E.","Ethyl 2-Fluoro-3-oxo-2-(<i>p</i>-toluoyl)-3-(<i>p</i>-tolyl)propanoate, C~20~H~19~O~4~F","Acta Crystallographica Section C","1996","52","12","3127","3128","10.1107/S0108270196011250","","","0.71069","MoKα","","0.146","0.0675","","0.1321","0.1092","","","","0.984","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005788","10.529","0.002","10.9805","0.0014","18.362","0.004","90","","99.72","0.02","90","","2092.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","KH1109","Lin, K.-J.; Wu, J.-Y.; Chen, C.-T.","<i>meso</i>-(3,5-Di-<i>tert</i>-butylphenyl)-2,2'-dipyrromethane","Acta Crystallographica Section C","1996","52","12","3114","3116","10.1107/S0108270196010542","","","0.71073","MoKα","","0.0713","0.0434","","0.1495","0.1304","","","","0.921","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005789","8.526","0.001","13.857","0.001","18.519","0.001","90","","90","","90","","2187.9","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac. Cyclododeca-2.8-diyne-1.10-diole","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.1054","0.0444","","0.0929","0.0783","","","","0.882","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005790","8.115","0.002","10.4765","0.0011","15.093","0.004","90","","94.59","0.03","90","","1279","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.0567","0.0515","","0.1094","0.1053","","","","1.215","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005791","6.699","0.0015","9.3743","0.0003","12.892","0.004","90","","90","","90","","809.6","0.3","293","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4-dimethylcycohexan-1.3-dione","","- C8 H12 O2 -","- C8 H12.624 O2 -","- C32 H50.496 O8 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.0557","0.0387","","0.0986","0.0873","","","","0.564","0.637","0.637","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005792","5.863","0.01","13.558","0.01","11.225","0.008","90","","97.8","0.1","90","","884","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,5-trimethylcyclohexan-1,3-dione monohydrate","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.085","0.0652","","0.1823","0.1644","","","","1.266","1.392","1.392","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005793","9.448","0.003","9.918","0.003","15.173","0.005","107.85","0.02","93.67","0.02","104.74","0.02","1293.1","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyanamide)tetrakis(4-methylimidazole) nickel(II) complex, C~20~H~24~N~14~Ni~1~","","- C20 H24 N14 Ni -","- C20 H24 N14 Ni -","- C40 H48 N28 Ni2 -","2","1","MU1201","Kožíšek, J.; Paulus, H.; Danková, M.; Hvastijová, M.","<i>trans</i>-Bis(dicyanamido-<i>N</i>)tetrakis(4-methylimidazole-<i>N</i>^1^)nickel(II)","Acta Crystallographica Section C","1996","52","12","3019","3020","10.1107/S0108270196010311","","","0.71069","MoKα","","0.0584","0.037","","0.1118","0.0872","","","","1.113","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005794","15.181","0.002","9.911","0.001","19.114","0.004","90","","93.64","0.01","90","","2870.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1.8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) nickel(II)Bis(maleonitriledithiolate)nickelate(II)","","- C20 H30 N10 Ni2 O2 S4 -","- C20 H30 N10 Ni2 O2 S4 -","- C80 H120 N40 Ni8 O8 S16 -","4","0.5","MU1259","Shan, B.-Z.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","[1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","12","3035","3037","10.1107/S0108270196009389","","","0.71073","MoKα","","0.0395","0.033","","0.0993","0.0932","","","","1.059","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005795","21.86","0.02","12.48","0.02","11.047","0.008","90","","90","","90","","3014","6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole","","- C14 H18 B2 N4 -","- C14 H18 B2 N4 -","- C112 H144 B16 N32 -","8","1","MU1263","Engelhardt, U.; Park, S. S.","An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks","Acta Crystallographica Section C","1996","52","12","3248","3250","10.1107/S0108270196010232","","","0.71069","MoKα","","0.035","0.08","","0.197","0.03","","","","1.38","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005796","9.842","0.004","15.775","0.002","7.382","0.001","100.04","0.01","95.75","0.02","79.02","0.02","1105.2","0.5","293","5","293","3","","","","","","","","5","P -1","-P 1","2","","3,7-bis(dimethylamino)-(N-carboxymethyl)phenothiazine-10-carboxamide","","- C21 H28 N4 O4 S -","- C21 H28 N4 O4 S -","- C42 H56 N8 O8 S2 -","2","1","MU1269","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","10-(<i>N</i>-Carboxymethylcarbamoyl)-3,7-bis(dimethylamino)phenothiazine (CCAP)‒Ethanol (1/1), C~19~H~22~N~4~O~3~S.C~2~H~6~O","Acta Crystallographica Section C","1996","52","12","3140","3142","10.1107/S0108270196010244","","","1.5418","CuKα","","","0.065","","","0.087","","","","","2.76","2.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005797","9.027","0.005","10.945","0.005","10.913","0.005","112.79","0.005","99.24","0.005","109.72","0.005","881.5","0.8","150","0.2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O7 -","- C19 H18 N2 O7 -","- C38 H36 N4 O14 -","2","1","MU1270","Despinoy, X. L. M.; McNab, H.; Parsons, S.","An Unusual 3<i>H</i>-Pyrrole at 150K","Acta Crystallographica Section C","1996","52","12","3064","3067","10.1107/S0108270196010256","","","0.71073","MoKα","","0.1159","0.0698","","0.2021","0.1665","","","","1.024","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005798","6.246","0.003","7.187","0.004","31.334","0.002","90","","90","","90","","1406.6","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","MU1276","Kevran, S.; Elmali, A.; Elerman, Y.","5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol","Acta Crystallographica Section C","1996","52","12","3256","3258","10.1107/S0108270196010268","","","0.71069","MoKα","","0.0418","0.0402","","0.0969","0.0958","","","","1.111","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005799","7.4614","0.0004","16.5571","0.0013","20.6129","0.0014","90","","90","","90","","2546.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-cyanophenol","o-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","MU1277","Beswick, C.; Kubicki, M.; Codding, P. W.","<i>o</i>-Cyanophenol","Acta Crystallographica Section C","1996","52","12","3171","3173","10.1107/S0108270196009419","","","1.54178","CuKα","","0.053","0.0401","","0.1033","0.0965","","","","1.059","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005800","15.789","0.013","8.139","0.01","10.719","0.007","90","","90","","90","","1377","2","193","1","193","1","","","","","","","","6","P n a 21","P 2c -2n","33","2-Anilidopyridinetungstenoxotrichloride","trichloro-2-(phenylamido)pyridineoxotungsten","","- C11 H9 Cl3 N2 O W -","- C11 H9 Cl3 N2 O W -","- C44 H36 Cl12 N8 O4 W4 -","4","1","MU1278","Polamo, M.","<i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI)","Acta Crystallographica Section C","1996","52","12","2980","2982","10.1107/S010827019601027X","","","0.71073","MoKα","","0.0351","0.0295","","0.0753","0.0735","","","","1.04","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005801","22.37","0.003","5.692","0.001","9.39","0.002","90","","90","","90","","1195.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1R,2R)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.0496","0.0424","","0.1156","0.1083","","","","1.036","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005802","5.911","0.001","9.445","0.002","22.051","0.004","90","","90","","90","","1231.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1S,2S)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.104","0.0675","","0.1897","0.1594","","","","1.021","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005803","11.936","0.002","20.053","0.003","12.306","0.003","90","","93.48","0.01","90","","2940","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-thiobenzoato-O,S)bis(triphenylphosphineoxide-O)dimolybdenum(II)","","- C64 H50 Mo2 O6 P2 S4 -","- C64 H50 Mo2 O6 P2 S4 -","- C128 H100 Mo4 O12 P4 S8 -","2","0.5","MU1284","Cindrić, M.; Vrdoljak, V.; Matković-Čalogović, D.; Kamenar, B.","A 1:2 Adduct of Tetrakis(μ-thiobenzoato-<i>O</i>,<i>S</i>)dimolybdenum(II)(<i>Mo{—</i>Mo}) with Triphenylphosphine Oxide, [Mo~2~(C~7~H~5~OS)~4~].2[(C~6~H~5~)~3~OP]","Acta Crystallographica Section C","1996","52","12","3016","3018","10.1107/S0108270196010293","","","0.71073","MoKα","","0.1239","0.0494","","0.1144","0.0933","","","","0.974","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005804","9.821","0.004","11.855","0.005","32.703","0.005","90","","93.97","0.03","90","","3798","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","chloro(η^6^-p-cymene)[1-(dimethylphosphino-κP)-2-(methylthio-κS)ethane]- ruthenium(II) tetraphenylborate hemidichloromethane solvate","","- C39.5 H48 B Cl2 P Ru S -","- C39.5 H48 B Cl2 P Ru S -","- C158 H192 B4 Cl8 P4 Ru4 S4 -","4","1","MU1286","Suzuki, T.; Taguchi, N.; Kashiwabara, K.","Ruthenium(II) Complex Containing a New Hybrid Bidentate Phosphine‒Thioether Ligand: [(<i>p</i>-Cymene)RuCl(Me~2~PCH~2~CH~2~SMe)][BPh~4~].0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","12","2982","2984","10.1107/S010827019601030X","","","0.71073","MoKα","","","0.056","","","0.056","","","","","1.62","1.62","","","","","has coordinates,has disorder","202198","2020-10-21","18:00:00",""
"2005805","9.58","0.015","9.652","0.012","14.625","0.019","94.18","0.13","90.27","0.15","118.44","0.09","1185","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","2-(Phenylamino)pyridinium tetrachloro-2-(phenylamido)pyridinetitanate(IV)","2-(Phenylamino)pyridinium tetrachloro(2-phenylaminopyridinato)titanate(IV)","","- C22 H20 Cl4 N4 Ti -","- C22 H20 Cl4 N4 Ti -","- C44 H40 Cl8 N8 Ti2 -","2","1","MU1287","Polamo, M.; Leskelä, M.","Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion","Acta Crystallographica Section C","1996","52","12","2975","2977","10.1107/S0108270196010347","","","0.71073","MoKα","","0.1002","0.0667","","0.1359","0.1248","","","","1.053","1.177","1.177","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005806","5.113","0.002","8.279","0.002","14.86","0.005","93.01","0.02","96.27","0.03","99.87","0.03","614.4","0.4","292","","292","","","","","","","","","4","P 1","P 1","1","","L-Argininium squarate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","NA1228","Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V.","Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate","Acta Crystallographica Section C","1996","52","12","3252","3256","10.1107/S0108270196010219","","","0.71073","MoKα","","0.055","0.039","","0.052","0.052","","","","1.011","1.026","1.026","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005807","9.42","0.001","20.13","0.003","18.887","0.003","90","","95.1","0.01","90","","3567.3","0.9","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(5'-oxo-3'-phenylpyrazonyl)-3-phenylpyrazol-5-ones","","- C46 H38 N4 O2 -","- C46 H38 N4 O2 -","- C184 H152 N16 O8 -","4","1","NA1248","Bruno, G.; Grassi, G.; Nicoló, F.; Risitano, F.; Scopelliti, R.","4-[5'-Oxo-1',3'-diphenyl-4'-(<i>p</i>-tolylmethyl)]-1,3-diphenyl-4-(<i>p</i>-tolylmethyl)pyrazol-5-one: Product of a Reductive Dimerization Reaction","Acta Crystallographica Section C","1996","52","12","3129","3131","10.1107/S010827019600916X","","","0.71073","MoKα","","","0.0618","","","0.0716","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005808","6.68","0.001","13.996","0.002","10.816","0.001","90","","104.22","0.01","90","","980.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diμ-chloro bis-diethylene triamine dicopper(II) dinitrate","","- C4 H13 Cl Cu N4 O3 -","- C4 H13 Cl Cu N4 O3 -","- C16 H52 Cl4 Cu4 N16 O12 -","4","1","NA1250","Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T.","Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate","Acta Crystallographica Section C","1996","52","12","3007","3009","10.1107/S010827019600978X","","","0.7107","MoKα","","0.0368","0.0222","","0.0737","0.0621","","","","0.651","0.602","0.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005809","3.846","0.001","25.673","0.002","13.992","0.001","90","","96.36","0.01","90","","1373","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","5-methoxy-1,4-benzoquinone-4-oxime","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","2","NA1253","Sardone, N.; Carugo, O.; Charalambous, J.; Raghvani, D. V.","3-Methoxy-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1996","52","12","3202","3204","10.1107/S0108270196009171","","","1.54184","CuKα","","0.05","0.038","","","0.034","","","","","0.627","0.627","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005810","23.953","0.003","22.097","0.003","11.477","0.004","90","","90","","90","","6075","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone","","- C26 H52 O3 Si2 -","- C26 H52 O3 Si2 -","- C208 H416 O24 Si16 -","8","1","NA1256","Kocienski, P. J.; Pelotier, B.; Webster, M.","(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one","Acta Crystallographica Section C","1996","52","12","3150","3152","10.1107/S0108270196009158","","","0.71069","MoKα","","","0.0591","","","0.051","","","","","2.301","2.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005811","9.282","0.004","17.837","0.005","8.488","0.004","90","","90","","90","","1405.3","1","295","","295","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Cadmium dimethyl dithiophosphate","Bis(O,O'-dimethyl dithiophosphato)Cadmium(II)","","- C4 H12 Cd O4 P2 S4 -","- C4 H12 Cd O4 P2 S4 -","- C16 H48 Cd4 O16 P8 S16 -","4","0.5","OA1003","Ito, T.; Otake, M.","Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)","Acta Crystallographica Section C","1996","52","12","3024","3025","10.1107/S0108270196010463","","","0.71069","MoKα","","","0.0365","","","0.0545","","","","","2.375","2.375","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005812","7.755","","7.755","","35.137","0.002","90","","90","","120","","1830.03","0.1","296","","","","","","","","","","","3","P 65","P 65","170","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C72 H120 O24 -","6","1","OA1006","Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.","Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>","Acta Crystallographica Section C","1996","52","12","3216","3217","10.1107/S0108270196010475","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005813","8.542","0.006","13.823","0.008","22.941","0.012","90","","90","","90","","2709","3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α, 4α, 8α, 9α-diépoxy-cis-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","PA1242","Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A.","2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane","Acta Crystallographica Section C","1996","52","12","3240","3243","10.1107/S0108270196008797","","","0.7107","MoKα","","","0.0538","","","0.0757","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005814","21.562","0.003","14.055","0.002","8.072","0.001","90","","90","","90","","2446.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","quitenidinium ethyl ester ethyl sulfate","","","- C23 H32 N2 O8 S -","- C23 H32 N2 O8 S -","- C92 H128 N8 O32 S4 -","4","1","SK1021","Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A.","Quitenidinium Ethyl Ester Ethyl Sulfate","Acta Crystallographica Section C","1996","52","12","3121","3124","10.1107/S0108270196009572","","","1.54178","CuKα","","0.0356","0.0356","","0.0984","0.0984","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005815","5.588","0.001","11.645","0.001","18.561","0.002","90","","97.56","0.01","90","","1197.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","2',3'-dideoxy-3'-nitro-thymidine","","- C10 H13 N3 O6 -","- C10 H13 N3 O6 -","- C40 H52 N12 O24 -","4","2","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0608","0.0551","","0.1722","0.1639","","","","0.894","0.899","0.899","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005816","15.746","0.002","9.373","0.001","11.304","0.002","90","","100.19","0.01","90","","1642","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","none","2'-oxapropyl-3'-nitro-thymidine","","- C13 H19 N3 O7 -","- C13 H19 N3 O7 -","- C52 H76 N12 O28 -","4","1","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0657","0.064","","0.1748","0.1725","","","","1.192","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005817","12.155","0.002","10.867","0.001","6.415","0.001","77.5","0.01","89.76","0.02","76.51","0.02","803.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,2':6',2""-Terpyridinium Trifluoromethanesulfonate","","- C16 H12 F3 N3 O3 S -","- C16 H12 F3 N3 O3 S -","- C32 H24 F6 N6 O6 S2 -","2","1","SK1032","Hergold-Brundic, A.; Popovic, Z.; Matkovic-Calogovic, D.","2,2':6',2''-Terpyridinium Trifluoromethanesulfonate, [terpyH](CF~3~SO~3~)","Acta Crystallographica Section C","1996","52","12","3154","3157","10.1107/S0108270196009584","","","0.71073","MoKα","","","0.0448","","","0.0431","","","","","0.646","0.646","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005818","20.568","0.004","9.057","0.002","7.295","0.002","90","","90","","90","","1358.9","0.5","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Sodium Inosinate(1-) 2.5 Water, Na(inosineH~-1~) . 2.5 H~2~O","","- C10 H16 N4 Na O7.5 -","- C10 H16 N4 Na O7.5 -","- C40 H64 N16 Na4 O30 -","4","1","SK1041","Klüfers, P.; Mayer, P.","The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O","Acta Crystallographica Section C","1996","52","12","2970","2972","10.1107/S0108270196009043","","","0.71069","MoKa","","0.0248","0.0233","","0.0614","0.0605","","","","1.058","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005819","7.732","0.004","8.879","0.006","9.772","0.008","66.92","0.06","85.13","0.06","64.39","0.04","553.6","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Lithium Bis(1,6-anhydro-β-D-glucosidato(2-)-O^2^,O^4^)cuprate(II) Octahydrate","","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","1","1","SK1042","Gack, C.; Klüfers, P.","A Homoleptic Cuprate(II) Complex with Deprotonated 1,6-Anhydro-β-<small>D</small>-glucose (Levoglucosan) Ligands","Acta Crystallographica Section C","1996","52","12","2972","2975","10.1107/S010827019600947X","","","0.71073","MoKα","","0.0362","0.0342","","0.0899","0.0871","","","","1.067","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005820","12.383","0.003","12.383","0.003","7.188","0.002","90","","90","","90","","1102.2","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C48 H40 Cl2 O8 P2 -","2","0.25","SK1044","Vittal, J. J.; Dean, P. A. W.","Tetraphenylphosphonium Perchlorate","Acta Crystallographica Section C","1996","52","12","3185","3188","10.1107/S0108270196010980","","","0.71073","MoKα","","0.1127","0.0491","","0.1236","0.0944","","","","1.046","1.087","1.087","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005821","12.815","0.001","22.5637","0.0008","13.224","0.001","90","","101.306","0.004","90","","3749.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) aquadimethyldioxalatostannate.ethanol","","- C32 H62 N2 O10 Sn -","- C32 H62 N2 O10 Sn -","- C128 H248 N8 O40 Sn4 -","4","1","SK1050","Ng, S. W.","Bis(dicyclohexylammonium) Aquadimethyldi(oxalato-<i>O</i>,<i>O</i>')stannate Ethanol Solvate","Acta Crystallographica Section C","1996","52","12","2990","2992","10.1107/S0108270196011286","","","0.71073","MoKα","","0.0465","0.0345","","0.0883","0.0836","","","","1.027","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005822","16.164","0.008","7.194","0.005","11.923","0.005","90","","90","","90","","1386.5","1.3","293","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[(Trimethylstannyl)cyclopentadienyl]titaniumtrichloride","","- C8 H13 Cl3 Sn Ti -","- C8 H13 Cl3 Sn Ti -","- C32 H52 Cl12 Sn4 Ti4 -","4","1","SK1054","Churakov, A. V.; Kuz'mina, L. G.","Trichloro[η^5^-(trimethylstannyl)cyclopentadienyl]titanium","Acta Crystallographica Section C","1996","52","12","3037","3038","10.1107/S0108270196011365","","","0.71069","MoKα","","0.0666","0.0351","","0.0913","0.0824","","","","1.043","1.168","1.168","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005823","5.1536","0.0002","12.4441","0.0003","41.2592","0.0011","90","","90","","90","","2646.03","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl N3 O5 -","- C28 H30 Cl N3 O5 -","- C112 H120 Cl4 N12 O20 -","4","1","SX1013","Janetka, J. W.; Satyshur, K. A.; Rich, D. H.","A Cyclic Side-Chain-Linked Biphenyl Ether Tripeptide: H~3~N^+^-<i>cyclo</i>-[Phe^(4{-^<i>O</i>)}-Phe-Phe^(3{-^<i>O</i>)}]-OMe.Cl^{-^}","Acta Crystallographica Section C","1996","52","12","3112","3114","10.1107/S0108270196009262","","","0.71073","MoKα","","0.0631","0.0497","","0.1198","0.1033","","","","1.173","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005824","5.188","0.001","38.076","0.007","9.049","0.001","90","","96.32","0.01","90","","1776.7","0.5","293","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.1846","0.0781","","0.2351","0.1656","","","","0.947","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005825","4.828","0.001","34.865","0.006","5.317","0.001","90","","98.93","0.01","90","","884.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(R)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C36 H54 N2 O4 S2 -","2","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.0832","0.0445","","0.1326","0.1083","","","","0.668","0.698","0.698","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005826","32.492","0.008","7.756","0.003","5.817","0.002","90","","90","","90","","1465.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinylphenol","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","1.54178","CuKα","","0.0737","0.0535","","0.1739","0.1623","","","","1.002","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005827","27.031","0.001","13.838","0.001","15.286","0.001","90","","123.27","0.01","90","","4780.6","0.7","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triaquahexakis(μ~2~-acetato)μ~3~-oxocobalt(II)diiron(III) diaquo solvate","","- C12 H28 Co Fe2 O18 -","- C12 Co0.999 Fe2.001 O18 -","- C96 Co7.992 Fe16.008 O144 -","8","1","TA1083","Sato, T.; Ambe, F.","An Oxo-Centered Trinuclear Cobalt(II)–Diiron(III) Acetate–Aqua Complex","Acta Crystallographica Section C","1996","52","12","3005","3007","10.1107/S0108270196008682","","","0.71073","MoKα","","","0.061","","","0.085","","","","","2.2","2.2","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005828","6.853","0.002","17.675","0.002","10.203","0.002","90","","92.37","0.02","90","","1234.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0358","","","0.0386","","","","","2.857","2.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005829","10.027","0.001","11.037","0.002","12.472","0.001","90","","112.015","0.009","90","","1279.6","0.3","296","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0377","","","0.04","","","","","2.876","2.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005830","5.309","0.005","10.548","0.004","12.514","0.004","104.55","0.003","95.6","0.005","103.43","0.005","650.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(tert-Butoxycarbonyl)-2-phenylglycine","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","TA1093","González-Cameno, A. M.; Badía, D.; Domínguez, E.; Arriortua, M. I.; Urtiaga, M. K.; Solans, X.","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-2-phenylglycine","Acta Crystallographica Section C","1996","52","12","3169","3171","10.1107/S0108270196009857","","","0.71069","MoKα","","0.1159","0.0676","","0.3275","0.2115","","","","1.054","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005831","13.793","0.007","8.247","0.004","13.699","0.007","90","","104.52","0.01","90","","1508.5","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","TA1097","Collins, D. J.; Fallon, G. D.; Jacobs, H. A.","Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane","Acta Crystallographica Section C","1996","52","12","3232","3234","10.1107/S0108270196011031","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.72","1.72","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005832","12.603","0.003","9.52","0.001","14.762","0.005","90","0.02","107.81","0.02","90","0.01","1686.3","0.7","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1) trans-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","0.71069","MoKα","","0.0449","0.0379","","0.1064","0.0998","","","","1.041","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005833","6.612","0.002","9.333","0.002","13.819","0.003","90","0.02","96.72","0.03","90","0.02","846.9","0.4","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2) cis-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","1.5418","CuKα(nickelfiltered)","","0.0479","0.0408","","0.1755","0.1175","","","","0.837","0.833","0.833","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005834","13.791","0.002","13.791","0.002","20.313","0.004","90","","90","","90","","3863.4","1.1","294","","294","","","","","","","","","5","I 41/a","I 4bw -1bw","","","","","- C12 H21 Cd N6 O6.5 -","- C12 H20 Cd N6 O6.5 -","- C96 H160 Cd8 N48 O52 -","8","","TA1102","Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.","A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O","Acta Crystallographica Section C","1996","52","12","3043","3045","10.1107/S0108270196009833","","","0.7107","MoKα","","0.0305","0.0305","","0.0302","0.0302","","","","2.798","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005835","7.7523","0.0007","9.3535","0.0007","6.8139","0.0006","95.432","0.008","111.021","0.007","99.112","0.008","449.19","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 3,4-di(ethoxycarbonyl)-(2Z,4Z)-hexa-2,4-diene-1,6-dioate","","- C16 H22 O8 -","- C16 H22 O8 -","- C16 H22 O8 -","1","0.5","TA1105","Tani, K.; Yamagata, T.; Kataoka, Y.","Tetraethyl (1<i>Z</i>,3<i>Z</i>)-Buta-1,3-diene-1,2,3,4-tetracarboxylate","Acta Crystallographica Section C","1996","52","12","3138","3140","10.1107/S0108270196009195","","","1.54178","CuKα","","","0.0668","","","0.0558","","","","","1.99","1.99","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005836","7.97","0.002","14.544","0.003","16.502","0.004","90","","100.58","0.05","90","","1880.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-di(o-methyl-phenyl)-3,3-(oxydiethyl)-guanidine hydrochloride monohydrate","","- C19 H26 Cl N3 O2 -","- C19 H26 Cl N3 O2 -","- C76 H104 Cl4 N12 O8 -","4","1","TA1111","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","3,3-(Oxydiethyl)-1,2-di(<i>o</i>-methylphenyl)guanidinium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","12","3238","3240","10.1107/S0108270196011274","","","1.54176","CuKα","","0.041","0.0389","","0.1118","0.111","","","","1.036","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005837","12.661","0.003","7.216","0.001","14.796","0.002","90","","105.44","0.02","90","","1303","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N O6 -","- C11 H9 Cl2 N O6 -","- C44 H36 Cl8 N4 O24 -","4","1","TA1112","Huang, S. D.; Cox, O.; Cordero, M.; Piñeiro, S.","α,α-Diacetoxy-2,4-dichloro-5-nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","12","3116","3118","10.1107/S010827019601102X","","","0.7107","MoKα","","","0.0571","","","0.0665","","","","","2.63","2.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005838","14.852","0.001","9.91","0.001","13.036","0.002","90","","113.749","0.008","90","","1756.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N4 O2.5 -","- C7 H9 N4 O2.5 -","- C56 H72 N32 O20 -","8","1","AB1405","Gallardo, H.; Begnini, I. M.; Vencato, I.","5-(4-Hydroxyphenyl)tetrazole‒Water (2/3)","Acta Crystallographica Section C","1997","53","1","143","144","10.1107/S0108270196012474","","","0.71073","MoKα","","0.0453","0.0335","","0.1055","0.0916","","","","1.067","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005839","5.644","0.002","13.624","0.002","22.617","0.001","90","","95.31","0.01","90","","1731.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9,4,0]pentadeca-1(11),12,14-triene","","- C18 H21 O P S2 -","- C18 H21 O P S2 -","- C72 H84 O4 P4 S8 -","4","1","AB1413","Kivekäs, R.; Muñoz, J. A.; Escriche, L.; Casabó, J.; Sillanpää, R.","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene","Acta Crystallographica Section C","1997","53","1","126","128","10.1107/S0108270196012140","","","0.71069","MoKα","","0.0992","0.0425","","0.162","0.0872","","","","1.041","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005840","5.223","0.0007","38.371","0.005","9.417","0.001","90","","96.98","0.01","90","","1873.3","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","40<[OS(2,5)1,3,4-thiadiazolo,S]~4~-coronand-16>","10,11,21,22,32,33,43,44-octaaza-5,16,27,38-tetraoxa-2,8,13,19,24,30,35,41,45,46,47,48-dodecathiapentacyclo[40.2.1.1^9,12^.1^20,23^.1^31,34^]octatetracontane","","- C24 H32 N8 O4 S12 -","- C24 H32 N8 O4 S12 -","- C48 H64 N16 O8 S24 -","2","0.5","BK1223","Rugutt, J. K.; Fronczek, F. R.; Watkins, S. F.; Pappalardo, S.","A Tetrameric Macrocycle with 2,5-Dithio-1,3,4-thiadiazole Subunits","Acta Crystallographica Section C","1997","53","1","81","84","10.1107/S010827019601236X","","","1.54184","CuKα","","","0.047","","","0.062","","","","","1.731","1.731","","","","","has coordinates","211401","2020-10-21","18:00:00",""
"2005841","18.8917","0.0008","4.6858","0.0003","12.7916","0.0008","90","","127.95","0.01","90","","892.91","0.15","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Br2 -","- C8 H10 Br2 -","- C32 H40 Br8 -","4","0.5","BK1224","Dávila, A.; McLaughlin, M. L.; Fronczek, F. R.; Watkins, S. F.","1,5-Dibromocycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","1","84","86","10.1107/S0108270196012322","","","0.71073","MoKα","","","0.069","","","0.038","","","","","1.128","1.128","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005842","9.3811","0.0011","13.2775","0.0012","10.487","0.001","90","","98.177","0.009","90","","1293","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl(2-methoxycyclohexadienyl)-iron(II)-tatrafluoroborate","","- C10 H9 B F4 Fe O4 -","- C10 H9 B F4 Fe O4 -","- C40 H36 B4 F16 Fe4 O16 -","4","1","BK1242","DeBord, J. R. D.; George, T. A.; Ross, II, C. R.; Stezowski, J. J.","Tetrafluoroborate Salt of Tricarbonyl(2-methoxy-η^5^-cyclohexadienyl)iron(II)","Acta Crystallographica Section C","1997","53","1","45","47","10.1107/S0108270196011584","","","0.71073","MoKα","","0.1174","0.067","","0.15","0.1174","","","","1.08","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005843","3.897","0.003","9.355","0.002","28.98","0.003","90","","90.79","0.04","90","","1056.4","0.9","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-9-carboxylic acid","anthracene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1282","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","1","71","73","10.1107/S0108270196011213","","","0.71073","MoKα","","","0.044","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005844","7.956","0.002","8.193","0.002","9.313","0.002","89.89","0.01","94.79","0.01","90.95","0.01","604.9","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C28 H26 N6 -","2","1","BM1071","Mefetah, H.; Giorgi, M.; Brouant, P.","2-Anilino-4,6-dimethylpyridine-3-carbonitrile, an Intermediate in the Synthesis of 5-Aminobenzo[<i>b</i>][1,8]naphthyridines","Acta Crystallographica Section C","1997","53","1","101","102","10.1107/S0108270196005276","","","0.71073","MoKα","","0.239","0.047","","","0.054","","","","","1.613","1.613","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005845","21.454","0.004","9.107","0.002","17.364","0.003","90","","93.57","0.03","90","","3386","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetramethylammonium sodium nitroprusside 2.5-hydrate","tetramethylammonium sodium nitrosylpentacyanoferrate (II) 2.5-hydrate","","- C9 H17 Fe N7 Na O3.5 -","- C9 H17 Fe N7 Na O3.5 -","- C72 H136 Fe8 N56 Na8 O28 -","8","1","BM1089","Longridge, J. J.; Rawson, J. M.; Davies, J. E.","A Mixed Cation Ternary Nitroprusside: [(CH~3~)~4~N][Na][Fe(CN)~5~(NO)].2.5H~2~O","Acta Crystallographica Section C","1997","53","1","15","17","10.1107/S0108270196011468","","","0.71073","MoKα","","0.066","0.0477","","0.1259","0.1155","","","","1.086","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005846","16.088","0.002","16.088","0.002","5.197","0.001","90","","90","","120","","1164.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","hexakis[mercaptomethyl]benzene","","- C12 H18 S6 -","- C12 H18 S6 -","- C36 H54 S18 -","3","0.166667","BM1105","Mallinson, P. R.; MacNicol, D. D.; McCormack, K. L.; Yufit, D. S.; Gall, J. H.; Henderson, R. K.","Hexakis(mercaptomethyl)benzene: a Structure Possessing Well Ordered Homodromic [SH···S]~6~ Interactions","Acta Crystallographica Section C","1997","53","1","90","92","10.1107/S0108270196010499","","","0.71073","MoKα","","0.1663","0.0554","","0.123","0.104","","","","0.847","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005847","13.62","0.005","12.088","0.005","4.115","0.002","90","","90","","90","","677.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(2-nitrophenyl)trisulphide","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","0.5","BM1114","Cox, P. J.; Wardell, J. L.","A Polymorph of Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1997","53","1","122","124","10.1107/S0108270196012838","","","0.71069","MoKα","","0.0496","0.0478","","0.1105","0.1098","","","","1.089","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005848","21.393","0.004","11.586","0.002","22.635","0.005","90","","90.09","0.03","90","","5610.3","1.9","150","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H72 Cr2 N4 Na2 O22 -","- C46 H72 Cr2 N4 Na2 O22 -","- C184 H288 Cr8 N16 Na8 O88 -","4","0.5","BR1160","Borrmann, H.; Pirani, A. M.; Schrobilgen, G. J.","[2,2,2-Crypt-Na]~2~[Cr~2~(CO)~10~]: a Chromium(‒1) Carbonyl Structure with a Very Weakly Coordinating Cation","Acta Crystallographica Section C","1997","53","1","19","22","10.1107/S0108270196011390","","","0.71073","MoKα","","0.0486","","","0.0977","0.0879","","","","1.048","1.085","1.085","","","","","has coordinates","198515","2020-10-21","18:00:00",""
"2005849","16.505","0.004","11.657","0.003","21.918","0.006","90","","99.79","0.02","90","","4155.6","1.9","178","2","178","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- pentacarbonyltungsten(0)","","- C15 H18 F4 O5 P2 W -","- C15 H18 F4 O5 P2 W -","- C120 H144 F32 O40 P16 W8 -","8","2","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.056","0.0306","","0.0786","0.0677","","","","0.993","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005850","19.99","0.006","7.096","0.003","8.606","0.003","90","","92.48","0.03","90","","1219.6","0.8","178","2","178","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- bis(chlorogold(I)) bis-dichloromethane solvate","","- C12 H22 Au2 Cl6 F4 P2 -","- C12 H22 Au2 Cl6 F4 P2 -","- C24 H44 Au4 Cl12 F8 P4 -","2","0.25","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.04","0.0268","","0.0618","0.0567","","","","1.045","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005851","11.368","0.002","13.49","0.003","13.573","0.003","61.62","0.03","84.55","0.03","87.83","0.03","1823","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Bis (bistriphenylphosphineimine) hexamolybdate","","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","1","0.5","BS1007","Hoppe, S.; Stark, J. L.; Whitmire, K. H.","Bis[bis(triphenylphosphine)iminium] Hexamolybdate","Acta Crystallographica Section C","1997","53","1","68","70","10.1107/S0108270196011791","","","0.71073","MoKα","","0.0713","0.0471","","0.1228","0.1086","","","","1.046","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005852","9.217","0.003","24.675","0.005","15.698","0.004","90","","102.89","0.02","90","","3480.2","1.6","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thio-bis[chloro(oxo)bis(pyridine)molybdenum](Mo-Mo)","","- C30 H30 Cl2 Mo2 N6 O2 S2 -","- C30 Cl2 Mo2 N6 O2 S2 -","- C120 Cl8 Mo8 N24 O8 S8 -","4","1","CF1119","Mizutani, J.; Imoto, H.; Saito, T.","A Dinuclear Molybdenum Complex: [{MoClO(pyridine)~2~}~2~(μ-S)~2~].2C~5~H~5~N","Acta Crystallographica Section C","1997","53","1","47","50","10.1107/S0108270196010116","","","0.7107","MoKα","","","0.0633","","","0.0384","","","","","2.65","2.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005853","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.2","0.7","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","","NaInAs~2~O~7~","Acta Crystallographica C","1997","53","","05","07","","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005854","8.789","0.004","17.3","0.007","8.595","0.003","90","","90","","90","","1306.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aluminum potassium phospho-arsenate","","- Al2 As1.92 K3 O12 P1.08 -","- Al2 As1.925 K3 O12 P1.075 -","- Al8 As7.7 K12 O48 P4.3 -","4","1","DU1164","Boughzala, H.; Driss, A.; Jouini, T.","K~3~Al~2~As~1,92~P~1,08~O~12~","Acta Crystallographica Section C","1997","53","1","3","5","10.1107/S0108270196009894","","","0.71069","MoKα","","0.0923","0.0493","","0.0609","0.0537","","","","1.318","1.462","1.462","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005855","33.775","0.006","9.5143","0.0011","14.987","0.003","90","","105.433","0.014","90","","4642.4","1.4","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di(hydridotetracarbonylosmium)diphenylgermane","","- C20 H12 Ge O8 Os2 -","- C20 H12 Ge O8 Os2 -","- C160 H96 Ge8 O64 Os16 -","8","1","FG1150","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Bisphenylbis[tetracarbonyl(hydrido)osmio]germane, Ph~2~Ge[Os(CO)~4~H]~2~","Acta Crystallographica Section C","1997","53","1","22","24","10.1107/S0108270196012061","","","0.7093","MoKα","","","0.045","","","0.055","","","","","3","3","","","","","has coordinates","192299","2020-10-21","18:00:00",""
"2005856","9.5247","0.0008","16.7749","0.0018","12.9718","0.0019","90","","97.574","0.009","90","","2054.5","0.4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(mu-chloro)tri(mu-hydrido)dodecacarbonyltetraosmium","","- C12 H3 Cl O12 Os4 -","- C12 H3 Cl O12 Os4 -","- C48 H12 Cl4 O48 Os16 -","4","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.038","0.038","","0.041","0.041","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005857","8.8621","0.0015","9.3825","0.0015","15.9148","0.0023","80.815","0.013","85.332","0.013","62.828","0.013","1162.1","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","(mu-chloro)tri(mu-hydrido)tetradecacarbonylpentaosmium","","- C14 H3 Cl O14 Os5 -","- C14 H3 Cl O14 Os5 -","- C28 H6 Cl2 O28 Os10 -","2","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.054","0.054","","0.063","0.063","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005858","9.493","0.001","11.426","0.001","14.932","0.002","90","","102.77","0.01","90","","1579.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(5-carboethoxy-1,2,3-triazol-1-yl)- α-D-xylofuranose","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","2","FG1203","Horton, D.; Levine, B. R.; Norris, P.; Luck, R. L.; Silverton, J. V.","5-Deoxy-5-<i>C</i>-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-xylofuranose","Acta Crystallographica Section C","1997","53","1","120","122","10.1107/S0108270196012097","","","1.54184","copperKα","","","0.052","","","0.06","","","","","2.19","2.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005859","4.898","0.001","12.925","0.002","13.875","0.001","90","","90","","90","","878.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-glutamic acid","","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C28 H44 N4 O20 -","4","1","FG1211","Dobson, A. J.; Gerkin, R. E.","<i>N</i>-Acetyl-<small>L</small>-glutamic Acid","Acta Crystallographica Section C","1997","53","1","73","76","10.1107/S0108270196011882","","","0.71073","MoKα","","","0.031","","","0.039","","","","","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005860","5.8824","0.0007","12.451","0.002","6.7557","0.0008","90","","110.186","0.006","90","","464.41","0.11","296","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-cis Pinononic acid","(-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","FG1213","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.","({-})-<i>cis</i>-Pinononic Acid: Hydrogen-Bonding Pattern of a δ-Keto Acid","Acta Crystallographica Section C","1997","53","1","102","106","10.1107/S0108270196012103","","","0.71073","MoKα","","0.0766","0.0425","","0.1016","0.0922","","","","0.836","1.033","1.033","","","","","has coordinates,has disorder","200179","2020-10-21","18:00:00",""
"2005861","7.6532","0.0015","7.769","0.002","12.177","0.002","90","","98.228","0.014","90","","716.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,4-trimethyl-1,2,4-triazolidine-3,5-dione","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C20 H36 N12 O8 -","4","1","FG1225","Meyers, C. Y.; Lutfi, H. G.; Hou, Y.; Robinson, P. D.","Racemic 1,2,4-Trimethylurazole","Acta Crystallographica Section C","1997","53","1","98","100","10.1107/S0108270196011894","","","0.71069","MoKα","","","0.059","","","0.041","","","","","3.8","3.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005862","8.48","0.002","7.436","0.002","20.783","0.002","90","","93.5","0.02","90","","1308.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methylperimidinium acetate monohydrate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","FG1235","Patnaik, S.; Vishnumurthy, K.; Sridhar, M.; Chandrasekhar, S.; Usha, K.; Guru Row, T. N.","2-Methylperimidinium Acetate Monohydrate","Acta Crystallographica Section C","1997","53","1","130","132","10.1107/S0108270196012589","","","1.5418","CuK~α~","","0.0753","0.0531","","0.1656","0.1289","","","","1.093","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005863","5.592","0.0001","21.3403","0.0005","9.7192","0.0002","90","","96.197","0.001","90","","1153.06","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O12 -","- C20 H23 N O12 -","- C40 H46 N2 O24 -","2","1","FR1003","Abboud, K. A.; Toporek, S. S.; Horenstein, B. A.","<i>p</i>-Nitrophenyl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","1","118","120","10.1107/S0108270196012784","","","0.71073","MoKα","","0.0383","0.0344","","0.0909","0.0846","","","","1.124","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005864","7.046","0.004","6.287","0.004","24.486","0.005","90","","90.04","0.04","90","","1084.7","1","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Co N2 O12 S2 -","- C14 H28 Co N2 O12 S2 -","- C28 H56 Co2 N4 O24 S4 -","2","0.5","FR1012","Gunderman, B. J.; Dubey, S. N.; Squattrito, P. J.","Hexaaquacobalt(II) Bis(2-aminotoluene-4-sulfonate)","Acta Crystallographica Section C","1997","53","1","17","19","10.1107/S0108270196011419","","","0.7107","MoKα","","0.065","0.032","","0.049","0.03","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005865","11.503","0.002","18.218","0.005","9.305","0.002","90","","110.359","0.005","90","","1828.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C92 H92 N4 O8 -","2","0.5","HA1169","Kubo, K.; Kato, N.; Sakurai, T.","<i>N</i>,<i>N</i>'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","Acta Crystallographica Section C","1997","53","1","132","134","10.1107/S0108270196011808","","","1.54184","CuKα","","0.07","0.0474","","0.1506","0.1325","","","","1.03","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005866","18.0187","0.002","13.546","0.004","18.092","0.003","90","","115.389","0.012","90","","3989.4","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]- carbonohydrazide Dichloride Methanol Solvate","","- C40 H62 Cl2 N6 O2 -","- C40 H62 Cl2 N6 O2 -","- C160 H248 Cl8 N24 O8 -","4","1","HA1170","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]carbonohydrazide Dichloride Methanol Solvate","Acta Crystallographica Section C","1997","53","1","140","143","10.1107/S0108270196012607","","","0.71073","MolybdenumKα","","0.123","0.056","","0.059","0.055","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005867","8.23","0.001","18.205","0.002","16.384","0.002","90","","99","0.01","90","","2424.5","0.5","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-dihydronaphtho[3,4-b]cyclopenteno[1,2-e]-4H-pyran-4-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","2","HA1171","Cao, Z.; Cao, X.; Zhang, D.-C.; Xu, F.; Yu, K.","1,2-Dihydronaphtho[3,4-<i>b</i>]cyclopenteno[1,2-<i>e</i>]-4<i>H</i>-pyran-4-one","Acta Crystallographica Section C","1997","53","1","144","146","10.1107/S010827019601270X","","","0.71073","MoKα","","0.0771","0.0377","","0.1093","0.0818","","","","0.85","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005868","6.3561","0.0014","9.892","0.002","14.937","0.003","90","","95.04","0.02","90","","935.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5S-3-Phenyl-5-(6'R,7R,14'R-1',8',13',16'-tetraoxadispiro[5.0.5.4] hexadecan-14'-yl)-4,5-dihydrooxisoxazole","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C42 H54 N2 O10 -","2","1","HA1176","Blake, A. J.; Gould, R. O.; Paton, R. M.; Todd, C. J.","(5<i>S</i>)-3-Phenyl-5-[(6<i>R</i>,7<i>R</i>,14<i>R</i>)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-yl]-4,5-dihydroisoxazole: the Major Adduct Resulting from Cycloaddition of Benzonitrile Oxide to (6<i>R</i>,7<i>R</i>,14<i>S</i>)-14-Vinyl-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane","Acta Crystallographica Section C","1997","53","1","116","117","10.1107/S0108270196012243","","","0.71073","MoKα","","0.0305","0.0276","","0.0766","0.0714","","","","1.095","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005869","13.366","0.001","7.3869","0.0007","29.892","0.003","90","","90","","90","","2951.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone","","- C14 H10 Br F N4 O4 -","- C14 H10 Br F N4 O4 -","- C112 H80 Br8 F8 N32 O32 -","8","1","HA1178","Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.","1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond","Acta Crystallographica Section C","1997","53","1","124","126","10.1107/S0108270196013133","","","0.71073","MoKα","","0.0496","0.0373","","0.0857","0.0771","","","","1.211","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005870","4.8781","0.001","10.475","0.001","30.2952","0.001","90","","90","","90","","1548","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Pyrazole-κN^2^)[N-salicylidene-κO-(S)-alaninato-κN,κO]copper(II) Dihydrate","","- C13 H17 Cu N3 O5 -","- C13 H17 Cu N3 O5 -","- C52 H68 Cu4 N12 O20 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0436","0.0423","","0.1166","0.1152","","","","1.037","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005871","10.3223","0.0005","8.3892","0.0003","19.9025","0.0009","90","","97.533","0.004","90","","1708.6","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-κN^2^)[N-salicylidene-κO-(R,S)-alaninato-κN,κO]copper(II) Pyrazole Solvate","","- C16 H17 Cu N5 O3 -","- C16 H17 Cu N5 O3 -","- C64 H68 Cu4 N20 O12 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0686","0.0681","","0.1833","0.1826","","","","1.145","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005872","21.374","0.006","13.072","0.008","23.771","0.012","90","","105.11","0.03","90","","6412","5","208","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Di-[bis-(triphenylphosphoranylidene)-ammonium Fluoropentachloroosmate(IV) Hydrate","","- C72 H62 Cl5 F N2 O Os P4 -","- C72 H62 Cl5 F N2 O Os P4 -","- C288 H248 Cl20 F4 N8 O4 Os4 P16 -","4","1","JZ1142","Bruhn, C.; Preetz, W.","Bis[bis(triphenylphosphoranylidene)ammonium] Pentachlorofluoroosmate(IV) Hydrate, [(C~6~H~5~)~3~P= N= P(C~6~H~5~)~3~]~2~[OsFCl~5~].H~2~O","Acta Crystallographica Section C","1997","53","1","63","66","10.1107/S010827019601061X","","","0.71069","MoKα","","0.1222","0.0479","","0.106","0.076","","","","1.162","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005873","9.141","0.002","9.16","0.002","10.736","0.004","90.28","0.02","90.52","0.02","90.11","0.02","898.9","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- K2 Mg O10 P2 W -","- K2 Mg O10 P2 W -","- K8 Mg4 O40 P8 W4 -","4","4","JZ1148","Peuchert, U.; Bohatý, L.; Schreuer, J.","The Triclinic Room-Temperature Modification of K~2~MgWO~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","1","11","14","10.1107/S0108270196011389","","","0.71073","MoKα","","0.0227","0.0213","","0.0514","0.0507","","","","1.067","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005874","5.377","0.001","10.488","0.001","20.32","0.002","77.41","0.01","86.14","0.01","80.28","0.01","1101.8","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 N3 O2 S -","- C12 H7 N3 O2 S -","- C48 H28 N12 O8 S4 -","4","2","KA1205","Özbey, S.; Temel, A.; Özgün, B. H.; Ertan, N.","2-(2-Thiazolylhydrazono)indan-1,3-dione","Acta Crystallographica Section C","1997","53","1","113","116","10.1107/S0108270196011742","","","0.71073","MoKα","","","0.038","","","0.041","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005875","30.136","0.009","6.902","0.002","16.92","0.006","90","","120.23","0.02","90","","3040.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(salicyaldoximato)zinc","","- C14 H14 N2 O5 Zn -","- C14 H14 N2 O5 Zn -","- C112 H112 N16 O40 Zn8 -","8","1","KA1207","Potočňák, I.; Heinemann, F. W.; Rausch, M.; Steinborn, D.","Aquabis(salicylaldoximato)zinc","Acta Crystallographica Section C","1997","53","1","54","56","10.1107/S0108270196011353","","","0.71073","MoKα","","0.072","0.0526","","0.1746","0.1342","","","","1.171","1.204","1.204","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005876","14.978","0.003","16.703","0.003","18.847","0.003","90","","90","","90","","4715.1","1.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,2-bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C200 H280 N24 O8 -","8","","KA1214","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","Acta Crystallographica Section C","1997","53","1","88","90","10.1107/S0108270196011080","","","1.54176","CuKα","","0.0573","0.045","","0.1331","0.1268","","","","1.056","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005877","14.996","0.002","9.8324","0.0012","13.461","0.002","90","","116.609","0.006","90","","1774.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6,8-Trimethylazulene-Picric Acid","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C76 H68 N12 O28 -","4","1","KA1217","Näther, C.; Arad, C.; Bock, H.","The Donor‒Acceptor Complex between 4,6,8-Trimethylazulene and Picric Acid","Acta Crystallographica Section C","1997","53","1","76","79","10.1107/S0108270196011766","","","0.71073","MoKα","","0.0627","0.0459","","0.1334","0.1203","","","","1.025","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005878","5.3243","0.0007","6.9487","0.0011","12.1489","0.0014","83.429","0.011","87.055","0.009","71.914","0.009","424.4","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(4-metylbenzoyl)-p-phenylenediamine","N,N'-bis(4-methylbenzoyl)-1,4-benzenediamine","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","1","0.5","KA1219","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Bis(4-methylbenzoyl)-<i>p</i>-phenylenediamine at 200K","Acta Crystallographica Section C","1997","53","1","79","81","10.1107/S0108270196011778","","","0.71073","MoKα","","0.0511","0.0399","","0.1094","0.1011","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005879","18.07","0.003","21.23","0.004","9.021","0.002","90","","90","","90","","3460.7","1.2","296","1","","","","","","","","","","5","A b a 2","A 2 -2ab","41","","1,2-Bis(diphenylphosphino)ethanebis(toluenethiol)palladium(II), Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~","","- C40 H38 P2 Pd S2 -","- C40 H38 P2 Pd S2 -","- C160 H152 P8 Pd4 S8 -","4","","KH1116","Su, W.; Hong, M.; Cao, R.; Liu, H.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']bis(α-toluenethiolato-<i>S</i>)palladium(II), [Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~]","Acta Crystallographica Section C","1997","53","1","66","67","10.1107/S0108270196012036","","","0.71073","MoKα","","","0.039","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005880","6.09","0.004","7.66","0.004","10.356","0.007","90","","90","","90","","483.1","0.5","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phosphonoacetic acid","","- C2 H5 O5 P -","- C2 H5 O5 P -","- C8 H20 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0318","0.0252","","0.0712","0.068","","","","1.127","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005881","6.99","0.004","6.266","0.003","15.932","0.008","90","","98.41","0.04","90","","690.3","0.6","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0555","0.0353","","0.0995","0.0923","","","","1.075","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005882","7.949","0.004","9.931","0.005","8.407","0.004","90","","99.73","0.04","90","","654.1","0.6","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0822","0.0375","","0.105","0.0934","","","","1.041","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005883","6.812","0.004","10.258","0.004","9.285","0.004","90","","100.84","0.04","90","","637.2","0.5","303","1","303","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium phosphonoacetate","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0665","0.0293","","0.0879","0.0768","","","","1.042","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005884","6.516","0.003","10.596","0.004","7.348","0.003","90","","95.82","0.04","90","","504.7","0.4","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lithium phosphonoacetate","","- C2 H4 Li O5 P -","- C2 H4 Li O5 P -","- C8 H16 Li4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.033","0.024","","0.074","0.0702","","","","1.076","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005885","5.806","0.002","17.43","0.006","14.607","0.005","90","","90","","90","","1478.2","0.9","295","1","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","sodium phosphonoacetate dihydrate","","- C2 H8 Na O7 P -","- C2 H8 Na O7 P -","- C16 H64 Na8 O56 P8 -","8","2","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","1.5418","CuKα","","0.0408","0.0378","","0.1048","0.1026","","","","1.082","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005886","9.26","0.004","10.163","0.004","6.885","0.004","90","","95.95","0.04","90","","644.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dipotassium phosphonoacetate","","- C2 H3 K2 O5 P -","- C2 H3 K2 O5 P -","- C8 H12 K8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0545","0.0272","","0.0806","0.0731","","","","1.013","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005887","9.568","0.007","10.407","0.009","7.087","0.006","90","","93.89","0.07","90","","704.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphonoacetate","","- C2 H11 N2 O5 P -","- C2 H11 N2 O5 P -","- C8 H44 N8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.039","0.0352","","0.0955","0.0928","","","","1.1","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005888","11.76","0.02","6.78","0.004","19.64","0.02","90","","101.42","0.09","90","","1535","3","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","disodium phosphonoacetate dihydrate","","- C2 H7 Na2 O7 P -","- C2 H7 Na2 O7 P -","- C16 H56 Na16 O56 P8 -","8","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0801","0.0513","","0.1532","0.1371","","","","1.034","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005889","6.883","0.006","10.982","0.009","14.148","0.009","90","","90.19","0.06","90","","1069.4","1.4","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triammonium phosphonoacetate dihydrate","","- C2 H18 N3 O7 P -","- C2 H18 N3 O7 P -","- C8 H72 N12 O28 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0592","0.0284","","0.0863","0.0771","","","","1.063","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005890","7.891","0.006","24.846","0.017","8.324","0.006","90","","101.46","0.06","90","","1599","2","297","1","297","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trisodium phosphonoacetate decahydrate","","- C2 H22 Na3 O15 P -","- C2 H22 Na3 O15 P -","- C8 H88 Na12 O60 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0719","0.0372","","0.1027","0.0922","","","","1.019","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005891","12.688","0.002","11.894","0.004","16.876","0.002","90","","101.78","0.01","90","","2493.1","1","295","","298","","","","","","","","","4","P 1 21 1","","","","(+)-1-allyl-N'-(5R,8S)[9,10-didehydro-6-methylergolin-8-yl]-N,N-diethylurea (+)(S)-2-(6-methoxy-2-naphthyl)propionic acid","","- C54 H68 N4 O9 -","- C54 H68 N4 O9 -","- C108 H136 N8 O18 -","2","1","NA1243","Bachechi, F.; Flieger, M.; Sinibaldi, M.","Complex of a Lisuride Derivative and (<i>S</i>)-Naproxen","Acta Crystallographica Section C","1997","53","1","136","140","10.1107/S0108270196009870","","","1.54178","CuKα","","","0.049","","","0.0566","","","","","2.03","2.03","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2005892","12.6","0.003","7.258","0.001","6.162","0.001","90","","114.49","0.03","90","","512.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Diguanidinium hexafluorate silicate","","","- C2 H12 F6 N6 Si -","- C2 H12 F6 N6 Si -","- C4 H24 F12 N12 Si2 -","2","0.25","NA1247","Waskowska, A.","Diguanidinium Hexafluorosilicate","Acta Crystallographica Section C","1997","53","1","128","130","10.1107/S0108270196011717","","","0.71073","MoKα","","0.0389","0.0304","","0.062","0.059","","","","1.04","1.052","1.052","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005893","13.6293","0.0006","10.364","0.001","33.859","0.002","90","","100.236","0.003","90","","4706.6","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,8-Dimethyl-5-(4-fluorophenyl)-2-(p-toluolylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepine Monohydrate.","","- C26 H28 F N3 O2 -","- C26 H28 F N3 O2 -","- C208 H224 F8 N24 O16 -","8","2","NA1261","Peeters, O. M.; Blaton, N. M.; de Ranter, C. J.","5-(4-Fluorophenyl)-1,8-dimethyl-2-(<i>p</i>-toluoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepine Monohydrate","Acta Crystallographica Section C","1997","53","1","95","97","10.1107/S0108270196011729","","","1.54184","CuKα","","0.1319","0.0532","","0.1799","0.1418","","","","0.853","1.255","1.255","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005894","8.813","0.001","9.597","0.001","12.805","0.002","70.12","0.01","84.45","0.01","67.87","0.01","942.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate monohydrate","","- C15 H15 N3 O10 -","- C15 H21 N3 O13 -","- C30 H42 N6 O26 -","2","1","PA1241","Rowan, K. R.; Holt, E. M.","3,5-Dicarboxy-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate Monohydrate","Acta Crystallographica Section C","1997","53","1","106","108","10.1107/S0108270196011821","","","0.71073","MoKα","","","0.046","","","0.0561","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005895","12.399","0.001","7.09","0.001","12.939","0.002","90","","108.49","0.01","90","","1078.7","0.2","293","2","293","2","","","","","","","","3","C 1 m 1","C -2y","8","","Osmiumstannat","","- O14 Os3 Sn15 -","- O14 Os3 Sn15 -","- O28 Os6 Sn30 -","2","0.5","SK1025","Söhnel, T.; Reichelt, W.","Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern","Acta Crystallographica Section C","1997","53","1","9","11","10.1107/S0108270196009560","","","0.71073","MoKα","","0.041","0.0344","","0.0893","0.0871","","","","1.049","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005896","14.6057","0.0002","9.237","0.0001","18.6333","0.0003","90","","91.79","0.001","90","","2512.64","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O11 -","- C25 H28 O11 -","- C100 H112 O44 -","4","1","SK1033","Boehlow, T. R.; Rath, N. P.; Spilling, C. D.","Methyl 4-Hydroxy-3-[4-methoxy-2-(methoxymethyleneoxy)phenyl]-2-{[4-methoxy-2-(methoxymethyleneoxy)phenyl]methyl}-5-oxo-2,5-dihydrofuran-2-carboxylate","Acta Crystallographica Section C","1997","53","1","92","95","10.1107/S0108270196011602","","","0.71073","MoKα","","0.0913","0.0753","","0.25","0.2142","","","","1.095","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005897","16.942","0.001","16.942","0.001","5.9187","0.0004","90","","90","","120","","1471.25","0.16","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","tribenzyltin chloride","chlorotris(phenylmethyl)stannane","","- C21 H21 Cl Sn -","- C21 H21 Cl Sn -","- C63 H63 Cl3 Sn3 -","3","0.333333","SK1046","Ng, S. W.","Tribenzyltin Chloride","Acta Crystallographica Section C","1997","53","1","56","58","10.1107/S0108270196011614","","","0.71073","MoKα","","0.0229","0.0229","","0.0563","0.0563","","","","1.065","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005898","9.4512","0.0007","9.8717","0.0006","21.145","0.002","90","","90.693","0.009","90","","1972.7","0.3","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C80 H56 F24 O16 -","8","2","SX1008","Swenson, D. C.; Lu, H.; Burton, D. J.","(<i>Z</i>)-3-Phenyl-2-(trifluoromethyl)prop-2-enoic Acid: a Hydrogen-Bonded Dimer","Acta Crystallographica Section C","1997","53","1","111","113","10.1107/S0108270196010803","","","1.54184","CuKα","","0","0.056","","","0.082","","","","","1.175","1.175","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005899","17.133","0.003","13.714","0.001","10.776","0.001","90","","98.6","0.01","90","","2503.5","0.5","292.7","","292.7","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C100 H88 Cl4 Cu4 N4 O4 P4 S8 -","2","0.5","TA1094","Shibahara, T.; Kobayashi, S.; Long, D.; Xin, X.","Bis{μ-chloro-[2(3<i>H</i>)-benzothiazolethione](triphenylphosphine)copper(I)} Dihydrate","Acta Crystallographica Section C","1997","53","1","58","60","10.1107/S0108270196011961","","","1.5418","CuKα","","","0.065","","","0.0859","","","","","1.658","1.658","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005900","14.453","0.002","10.149","0.003","17.136","0.001","90","","91.315","0.007","90","","2512.9","0.8","213","1","213","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N O8 -","- C22 H23 Cl3 N O8 -","- C88 H92 Cl12 N4 O32 -","4","1","TA1095","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A Possible Synthetic Precursor to the Tropoloisoquinoline Alkaloid Pareirubrine A","Acta Crystallographica Section C","1997","53","1","109","111","10.1107/S0108270196009092","","","1.5418","CuKα","","","0.0615","","","0.0641","","","","","2.175","2.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005902","9.405","0.001","7.669","0.002","9.436","0.001","90","","104.177","0.009","90","","659.9","0.2","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","TA1109","Suga, T.; Okabe, N.","<small>L</small>-Histidinol Phosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","1","134","136","10.1107/S0108270196012516","","","0.71069","MoKα","","","0.036","","","0.049","","","","","1.87","1.87","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005903","15.804","0.002","15.112","0.002","12.684","0.002","90","","104.89","0.01","90","","2927.6","0.7","296","","23","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H28 Cl3 N6 O4 Sm -","- C26 Cl3 N6 O4 Sm -","- C104 Cl12 N24 O16 Sm4 -","4","1","TA1110","Jin, H.-Y.; Akiba, M.; Umakoshi, K.; Sasaki, Y.; Kabuto, K.","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III) Perchlorate","Acta Crystallographica Section C","1997","53","1","60","63","10.1107/S0108270196009924","","","0.71069","MoKα","","","0.049","","","0.043","","","","","2.248","2.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005904","7.9656","0.0011","9.7996","0.001","12.036","0.002","86.45","0.02","80.28","0.02","77.45","0.02","903.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-diphenyl-3-benzyl-guanidine hydrochloride","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C40 H40 Cl2 N6 -","2","1","TA1114","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Diphenyl-3-benzylguanidine Hydrochloride","Acta Crystallographica Section C","1997","53","1","86","88","10.1107/S010827019601195X","","","1.54176","CuKα","","0.0366","0.0353","","0.0929","0.0922","","","","1.078","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005905","16.331","0.006","29.61","0.01","10.854","0.005","90","","90","","90","","5249","4","296","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H48 Cl4 N2 O7 P2 Re2 -","- C50 H44 Cl4 N2 O7 P2 Re2 -","- C200 H176 Cl16 N8 O28 P8 Re8 -","4","1","AB1373","Gerber, T. I. A.; Perils, J.; Du Preez, J. G. H.; Bandoli, G.","Chelation of 2,6-Bis(hydroxymethyl)pyridine in <i>cis</i>-Dichloro(triphenylphosphine-<i>P</i>)[2-(oxymethylene-<i>O</i>)-6-(hydroxymethyl)pyridine-<i>N</i>]oxorhenium(V)‒Water (2/1)","Acta Crystallographica Section C","1997","53","2","217","219","10.1107/S0108270196013030","","","0.71073","MoKα","","","0.0443","","","0.0597","","","","","0.85","0.85","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005906","12.356","0.0011","13.624","0.0012","14.705","0.0015","90","","90","","90","","2475.4","0.4","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Mo O4 -","- C12 H14 Mo O4 -","- C96 H112 Mo8 O32 -","8","1","AB1394","Ülkü, D.; Tahir, M. N.; Özkar, S.","Tetracarbonyl(η^2:2^-1,5-cyclooctadiene)molybdenum(0)","Acta Crystallographica Section C","1997","53","2","185","187","10.1107/S0108270196012723","","","0.71073","MoKα","","","0.029","","","0.034","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005907","7.627","0.001","9.054","0.001","14.6","0.001","78.64","0.01","84.91","0.01","63.67","0.01","885.9","0.18","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","1","0.5","AB1409","Hökelek, T.; Necefouglu, H.","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(2-hydroxybenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","2","187","189","10.1107/S0108270196013170","","","0.71073","MoKα","","","0.05","","","0.056","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005908","11.582","0.002","9.407","0.002","18.429","0.004","90","","108.14","0.02","90","","1908.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","wwanthra","9,10-bis[2-ethynyl(4-N,N-diphenylamino)phenyl]anthracene","","- C54 H36 N2 -","- C54 H36 N2 -","- C108 H72 N4 -","2","0.5","BK1186","Venkataraman, D.; Wang, P.-W.; Moore, J. S.","9,10-Bis{2-[4-(<i>N</i>,<i>N</i>-diphenylamino)phenyl]ethynyl}anthracene","Acta Crystallographica Section C","1997","53","2","241","243","10.1107/S0108270196012620","","","0.71073","MoKα","","0.0747","0.0438","","0.1228","0.1057","","","","1.04","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005909","3.9237","0.0001","11.9223","0.0002","17.7519","0.0003","90","","97.034","0.002","90","","824.18","0.03","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-2,6-dichlorobenzonitrile","","- C7 H2 Br Cl2 N -","- C7 H2 Br Cl2 N -","- C28 H8 Br4 Cl8 N4 -","4","1","BK1210","Britton, D.","4-Bromo-2,6-dichlorobenzonitrile","Acta Crystallographica Section C","1997","53","2","225","227","10.1107/S0108270196012656","","","0.71069","MoKα","","","0.046","","","0.056","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005910","8.76","0.009","7.869","0.005","14.04","0.01","90","","93.12","0.07","90","","966.4","1.4","153","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-Dinitrocinnamic acid","E-3-(2,4-Dinitrophenyl)-2-propenoic acid","","- C9 H6 N2 O6 -","- C9 H6 N2 O6 -","- C36 H24 N8 O24 -","4","1","BK1250","Thalladi, V. R.; Sharma, C. V. K.; Desiraju, G. R.","2,4-Dinitro-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1997","53","2","227","229","10.1107/S0108270196012310","","","0.71069","MoKα","","0.06","0.04","","0.091","0.084","","","","1.024","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005911","13.098","0.003","13.211","0.003","12.578","0.003","90","","90","","90","","2176.5","0.9","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,2-bis(dimethylamino)ethane]tetrachlorothorium(IV)","","- C12 H32 Cl4 N4 Th -","- C12 H32 Cl4 N4 Th -","- C48 H128 Cl16 N16 Th4 -","4","1","BK1289","Rabinovich, D.; Schimek, G. L.; Pennington, W. T.; Nielsen, J. B.; Abney, K. D.","Tetrachlorobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')thorium(IV)","Acta Crystallographica Section C","1997","53","2","191","193","10.1107/S0108270196012796","","","0.71073","MoKα","","0.036","0.0313","","0.036","0.0356","","","","","1.65","1.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005912","8.4511","0.0013","9.8471","0.0016","12.2407","0.0018","111.352","0.012","91.97","0.014","108.781","0.011","884.8","0.3","295","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C40 H48 N8 -","2","1","BM1050","Ülkü, D.; Tahir, M. N.; Çetinkaya, B.; Özdemir, I.","<i>cis</i>-1,1'-Dimethyl-3,3'-diphenyl-2,2'-biimidazolidinylidene","Acta Crystallographica Section C","1997","53","2","240","241","10.1107/S0108270196013121","","","0.71073","MoKα","","","0.046","","","0.057","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005913","21.174","0.004","21.174","0.004","15.119","0.002","90","","90","","90","","6778","2","293","2","293","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(tetraethylammonium) bis(μ-sulfido)-bis[(1,2,3,4-tetrathiabutan-1,4-diyl-S,S)thiotungstate(V)]","","- C16 H40 N2 S12 W2 -","- C16 H30 N2 S12 W2 -","- C128 H240 N16 S96 W16 -","8","0.5","BM1055","Mukherjee, A. K.; Das, P. K.; Mukherjee, M.; Chakraborty, P. K.; Bhattacharya, R.","Disorder in Bis(tetraethylammonium) Bis(μ-sulfido)bis[(1,2,3,4-tetrathiabutane-1,4-diyl-<i>S</i>,<i>S</i>)thiotungstate(V)]","Acta Crystallographica Section C","1997","53","2","209","212","10.1107/S0108270196011699","","","0.71073","MoKα","","0.0676","0.0484","","0.1244","0.1139","","","","1.044","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005914","11.932","0.002","10.032","0.008","15.309","0.003","90","","109.73","0.01","90","","1724.9","1.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trimethyl[9-(dimethylaminomethyl)carbazole]gallium","","- C18 H25 Ga N2 -","- C18 H25 In N2 -","- C72 H100 In4 N8 -","4","1","BM1084","Gu, W.; Pan, Y.; Shen, Y.; Huang, X.; Sun, H.; Sun, X.","[(Carbazolylmethyl)dimethylamine-<i>N</i>]trimethylgallium","Acta Crystallographica Section C","1997","53","2","190","191","10.1107/S0108270196011705","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.4","1.4","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005915","9.144","0.001","11.087","0.002","13.241","0.001","91.64","0.02","102.62","0.01","112.09","0.02","1204.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N8 Ni O10 -","- C20 H22 N8 Ni O10 -","- C40 H44 N16 Ni2 O20 -","2","1","BM1107","Tahir, M. N.; Ülkü, D.; Nazir, H.; Atakol, O.","Bis{2-[(3-aminopropyl)iminomethyl]-4,6-dinitrophenolato-<i>O</i>,<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section C","1997","53","2","181","183","10.1107/S0108270196012966","","","0.71073","MoKα","","","0.031","","","0.038","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005916","10.73","0.001","27.197","0.004","10.127","0.002","90","","99.44","0.01","90","","2915.3","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.7 H36.3 B Cu F4 N4.7 O2.3 -","- C27.7 H35.1 B Cu F4 N4.7 O2.3 -","- C110.8 H140.4 B4 Cu4 F16 N18.8 O9.2 -","4","1","BM1108","Fenton, D. E.; He, Q.-Y.; McKee, V.","[6-(2-Pyridylmethyl)-2,6,10-triazaundecane-1,11-diylbis(2-phenolato)(1 ‒)]copper(II) Tetrafluoroborate Methanol Acetonitrile Solvate (1/1/0.3/0.7)","Acta Crystallographica Section C","1997","53","2","207","209","10.1107/S0108270196012978","","","0.71073","MoKα","","0.0855","0.0524","","0.1273","0.1024","","","","1.179","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005917","6.284","0.003","14.415","0.007","25.633","0.013","90","","96.42","0.03","90","","2307","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.0679","0.0416","","0.123","0.1151","","","","1.007","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005918","10.2274","0.0006","10.6632","0.0009","22.7258","0.0013","90","","102.799","0.01","90","","2416.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C128 H104 O8 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.078","0.0523","","0.1637","0.1539","","","","1.101","1.268","1.268","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005919","23.2581","0.0013","13.8504","0.0006","7.5293","0.0005","90","","90","","90","","2425.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba~6~V~4~O~5~S~11~","","- Ba6 O5 S11 V4 -","- Ba6 O5 S11 V4 -","- Ba24 O20 S44 V16 -","4","0.5","BR1155","Litteer, J. B.; Fettinger, J. C.; Eichhorn, B. W.","Ba~6~V~4~O~5~S~11~","Acta Crystallographica Section C","1997","53","2","163","165","10.1107/S0108270196011687","","","0.71073","MoKα","","0.0464","0.0394","","0.1023","0.0979","","","","1.061","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005920","8.5613","0.0004","7.11","0.0003","5.1851","0.0001","111.441","0.002","89.986","0.003","103.065","0.004","284.99","0.02","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Tetralithium diphosphate","","","- Li4 O7 P2 -","- Li4 O7 P2 -","- Li8 O14 P4 -","2","1","BR1158","Daidouh, A.; Veiga, M. L.; Pico, C.; Martinez-Ripoll, M.","A New Polymorph of Li~4~P~2~O~7~","Acta Crystallographica Section C","1997","53","2","167","169","10.1107/S0108270196011869","","","0.7107","MoKα","","0.0309","0.0291","","0.0945","0.0934","","","","1.34","1.365","1.365","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005921","9.7337","0.0008","7.2012","0.0006","12.5976","0.0012","90","","90","","90","","883.02","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Potassium Tungsten Selenide","","","- K2 Se4 W -","- K2 Se4 W -","- K8 Se16 W4 -","4","0.5","BR1161","Röhnert, D.; Näther, C.; Bensch, W.","K~2~WSe~4~","Acta Crystallographica Section C","1997","53","2","165","167","10.1107/S0108270196013765","","","0.71073","MoKα","","0.0605","0.0321","","0.086","0.0788","","","","1.026","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005922","13.641","0.003","7.034","0.001","12.403","0.002","90","","94.66","0.03","90","","1186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","η^5^-Cyclopentadienyl Phenylimido Vanadium Dichloride","","- C11 H10 Cl2 N V -","- C11 H10 Cl2 N V -","- C44 H40 Cl8 N4 V4 -","4","1","CF1112","Chan, M. C. W.; Cole, J. M.; Gibson, V. C.; Howard, J. A. K.","Dichloro(η^5^-cyclopentadienyl)(phenylimido)vanadium(V)","Acta Crystallographica Section C","1997","53","2","202","204","10.1107/S0108270196012875","","","0.71073","MoKα","","0.1245","0.0545","","0.0905","0.0795","","","","0.994","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005923","8.83","0.002","9.363","0.002","10.134","0.002","90","","90","","90","","837.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-Me-α-D-mannopyranoside","3-deoxy Methyl-α-D-arabino hexopyranoside","","- C7 H14 O5 -","- C7 H14 O5 -","- C28 H56 O20 -","4","1","CF1140","Evdokimov, A. G.; Frolow, F.","Methyl 3-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranoside","Acta Crystallographica Section C","1997","53","2","264","266","10.1107/S0108270196012863","","","0.71073","MoKα","","0.0788","0.0593","","0.1197","0.1072","","","","1.078","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005924","29.3869","0.0014","12.1954","0.0008","13.57","0.0009","90","","103.845","0.005","90","","4722","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H5 F3 Fe4 O11 -","- C20 H5 F3 Fe4 O11 -","- C160 H40 F24 Fe32 O88 -","8","1","CF1141","Muir, K. W.; Manojlovic-Muir, L.; Morrice, F.; Guennou, K.; Pétillon, F.; Rumin, R.","A Tetranuclear Iron Cluster Complex: [{Fe(CO)~3~}~3~{μ~3~-CC[Fe(CO)~2~(η^5^-C~5~H~5~)]C(CF~3~)}]","Acta Crystallographica Section C","1997","53","2","219","222","10.1107/S0108270196012632","","","0.71073","MoKα","","0.1078","0.0406","","0.0941","0.0741","","","","1.023","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005925","6.776","0.001","17.928","0.001","21.642","0.001","90","","90","","90","","2629.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18β-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0495","0.0404","","0.1224","0.117","","","","1.061","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005926","10.303","0.001","6.864","0.001","18.844","0.001","90","","90.88","0.01","90","","1332.5","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C58 H84 O12 -","2","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0513","0.0466","","0.1398","0.1356","","","","1.051","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005927","10.701","0.001","12.771","0.002","18.751","0.002","90","","90","","90","","2562.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0536","0.0411","","0.1222","0.117","","","","1.086","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005928","14.438","0.005","8.697","0.005","11.964","0.007","90","","98.44","0.04","90","","1486","1.3","296","2","23","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)Methyl (1α,1aα,3aα,6aα,6bα)-1a-ethenyl-octahydro- 6a-methoxy-2,2- dimethyl-3,6-dioxacyclobut[cd]indene-1-carboxylate","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","CR1168","Britten, J. F.; Kassam, K.; Warkentin, J.","A Novel Tricyclic Cyclobutanone Ketal","Acta Crystallographica Section C","1997","53","2","243","245","10.1107/S0108270196013224","","","1.5418","CuKα","","0.1895","0.0456","","0.1644","0.1077","","","","1.01","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005929","7.138","0.003","10.148","0.004","10.686","0.002","105.81","0.03","104.54","0.02","105.3","0.03","673.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cu N2 O6 -","- C13 H14 Cu N2 O6 -","- C26 H28 Cu2 N4 O12 -","2","1","DE1039","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. I. Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Monohydrate","Acta Crystallographica Section C","1997","53","2","193","195","10.1107/S0108270196012395","","","0.7107","MoKα","","0.0411","0.0382","","0.1066","0.1034","","","","1.046","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005930","21.421","0.002","21.421","0.002","15.063","0.002","90","","90","","120","","5985.8","1.1","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","Tris(1-ethyl-3,5-diaza-1-azonia-7-phosphatricyclodecane iodide)gold(I) Iodide Trihydrate","","- C24 H53 Au I4 N9 O3 P3 -","- C24 H57 Au I4 N9 O3 P3 -","- C144 H342 Au6 I24 N54 O18 P18 -","6","0.333333","FG1092","Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P.","Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-<i>P</i>)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O","Acta Crystallographica Section C","1997","53","2","195","197","10.1107/S0108270196012486","","","0.71073","MoKα","","0.0348","0.0245","","0.0601","0.0565","","","","1.075","1.086","1.086","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2005931","8.7563","0.0001","9.0187","0.0002","16.9354","0.0004","90","","90","","90","","1337.4","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-3-acetamido-5-O-acetyl-D-ribofuranose","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","FG1209","Abboud, K. A.; Parr, I. B.; Horenstein, B. A.","3-Acetamido-5-<i>O</i>-acetyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1997","53","2","245","247","10.1107/S0108270196012498","","","0.71073","MoKα","","0.0354","0.0305","","0.0932","0.0729","","","","1.092","1.084","1.084","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005932","16.903","0.002","12.158","0.002","12.342","0.002","90","","114.96","0.03","90","","2299.5","0.8","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu2 N2 O4 -","- C28 H22 Cu2 N2 O4 -","- C112 H88 Cu8 N8 O16 -","4","0.5","FR1008","Ülkü, D.; Ercan, F.; Atakol, O.; Ercan, I.; Gencer, A.","Bis{2-[(2-hydroxybenzyl)iminomethyl]phenolato(2 ‒)-<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>'}dicopper(II)","Acta Crystallographica Section C","1997","53","2","179","181","10.1107/S0108270196012590","","","0.71073","MoKα","","","0.068","","","0.082","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005933","21.334","0.006","6.985","0.002","17.1","0.006","90","","123.45","0.02","90","","2126.1","1.2","295.2","","295.2","","","","","","","","","6","P 1 2/m 1","-P 2y","12","","","","- C17 H19 Co N6 O2 S2 -","- C10.5 H15 Co0.5 N3 O1.5 S -","- C42 H60 Co2 N12 O6 S4 -","4","1","HA1172","Beddoes, R. L.; Dinsmore, A.; Helliwell, M.; Garner, C. D.; Joule, J. A.","A Pteridin-6-yl Alkene-1,2-dithiolate Complex of Cobalt","Acta Crystallographica Section C","1997","53","2","213","215","10.1107/S0108270196013571","","","0.7107","MoKα","","0.1202","0.0657","","0.0826","0.0787","","","","2.702","3.332","3.332","","","","","has coordinates","198535","2020-10-21","18:00:00",""
"2005934","10.3144","0.0012","10.3144","0.0012","13.177","0.002","90","","90","","120","","1214","0.3","296","2","296","2","","","","","","","","4","P 31","P 31","144","","Bis[(S)-(-)-α-Methylbenzyl]thiourea","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","HA1175","Bailey, P. J.; Grant, K. J.; Parsons, S.","Bis[(<i>S</i>)-({-})-α-methylbenzyl]thiourea","Acta Crystallographica Section C","1997","53","2","247","248","10.1107/S010827019601298X","","","0.71073","MoKα","","0.0901","0.0456","","0.0788","0.0667","","","","1.018","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005935","8.781","0.001","15.021","0.002","13.452","0.003","90","","102.18","0.02","90","","1734.4","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O12 -","- C36 H96 Cl8 Cu4 N16 O48 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005936","8.732","0.001","14.8","0.002","13.655","0.003","90","","100.14","0.02","90","","1737.1","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 N4 Ni O8 -","- C9 H24 Cl2 N4 Ni O8 -","- C36 H96 Cl8 N16 Ni4 O32 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.078","","","0.087","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005937","7.047","0.001","23.973","0.005","12.28","0.002","90","","101","0.03","90","","2036.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Cl3 N5 Pt -","- C15 H28 Cl3 N5 Pt -","- C60 H112 Cl12 N20 Pt4 -","4","1","JZ1120","Karentzopoulos, S.; Engelking, H.; Bremer, B.; Paschke, N.; Krebs, B.","The First Example of a <i>cis</i>-Platinum Analogue with Two Directly Bridged Imidazoles: [Pt(mimim)Cl~2~].Et~4~NCl","Acta Crystallographica Section C","1997","53","2","172","174","10.1107/S0108270196011948","","","0.71073","MoKα","","0.0964","0.0489","","0.105","0.0893","","","","1.018","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005938","8.4083","0.0007","9.404","0.0013","15.9899","0.0013","90","","90","","90","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","His-Gly dihydrochloride","L-Histidyl-glycine dihydrochloride","","- C8 H14 Cl2 N4 O3 -","- C8 H14 Cl2 N4 O3 -","- C32 H56 Cl8 N16 O12 -","4","1","JZ1143","Steiner, Th.","<small>L</small>-Histidylglycinium Dichloride","Acta Crystallographica Section C","1997","53","2","255","257","10.1107/S0108270196010682","","","1.54176","CuKα","","0.0333","0.0324","","0.0916","0.091","","","","1.094","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005939","9.77","0.001","16.018","0.004","7.575","0.002","90","","90","","90","","1185.5","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9,10-dihydro-9-oxo-10-acridineacetic acid","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","JZ1150","Dobrzynska, D.; Turowska-Tyrk, I.","9,10-Dihydro-9-oxo-10-acridineacetic Acid","Acta Crystallographica Section C","1997","53","2","238","239","10.1107/S0108270196012802","","","0.71073","MoKα","","0.055","0.039","","0.115","0.103","","","","1.03","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005940","13.8538","0.0011","12.0498","0.0008","19.08","0.0012","90","","91.068","0.007","90","","3184.6","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 N4 -","- C37 H43 N4 -","- C148 H172 N16 -","4","1","KA1216","Näther, C.; Bock, H.","Tetrakis(<i>p</i>-dimethylaminophenyl)ethylene Hemibenzene Solvate","Acta Crystallographica Section C","1997","53","2","231","234","10.1107/S0108270196012504","","","0.71073","MoKα","","0.0642","0.0427","","0.12","0.1098","","","","1.044","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005941","9.77","0.003","8.575","0.005","10.096","0.002","90","","111.68","0.02","90","","786","0.6","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","α,β-trehalose monohydrate","","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","KH1115","Taga, T.; Miwa, Y.; Min, Z.","α,β-Trehalose Monohydrate","Acta Crystallographica Section C","1997","53","2","234","236","10.1107/S0108270196012693","","","0.7107","MoKα","","","0.041","","","0.049","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005942","8.641","0.003","13.064","0.002","10.945","0.003","90","","106.861","0.002","90","","1182.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Triphenylphosphonium tetradecahydro-nido-undecaborate(-1)","","- C18 H30 B11 P -","- C18 H30 B11 P -","- C36 H60 B22 P2 -","2","0.5","MU1262","McGrath, T. D.; McGrathand, A. J.","[Ph~3~PH][<i>nido</i>-B~11~H~14~]","Acta Crystallographica Section C","1997","53","2","229","231","10.1107/S0108270196013303","","","0.71073","MoKα","","0.123","0.0594","","0.1653","0.1497","","","","1.028","1.255","1.255","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005943","8.648","0.003","14.383","0.006","15.173","0.006","90","","99.77","0.05","90","","1859.9","1.3","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fac-tris(6-methyl-2-mercaptopyridinate)cobalt(III)","","- C18 H18 Co N3 S3 -","- C18 H18 Co N3 S3 -","- C72 H72 Co4 N12 S12 -","4","1","MU1291","Fielding, C.; Parsons, S.; Winpenny, R. E. P.","<i>fac</i>-Tris(6-methyl-2-mercaptopyridinato)cobalt(III) at 150K","Acta Crystallographica Section C","1997","53","2","174","176","10.1107/S0108270196013200","","","0.71073","MoKα","","0.0374","0.0288","","0.0729","0.0678","","","","1.055","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005944","7.72","0.001","9.764","0.001","10.643","0.002","90","","106.79","0.01","90","","768","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S)-8-C-Chloro-6,7,8-trideoxy-1,1:3,4-di-O-isopropylidene-α-D-galacto- oct-6,7-dienopyranose","","- C14 H19 Cl O5 -","- C14 H19 Cl O5 -","- C28 H38 Cl2 O10 -","2","1","NA1258","Horton, D.; Liu, Q.; Luck, R. L.; Silverton, J. V.","(6<i>S</i>)-8-<i>C</i>-Chloro-6,7,8-trideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-octa-6,7-dienopyranose","Acta Crystallographica Section C","1997","53","2","236","238","10.1107/S0108270196012851","","","1.54184","copperKα","","","0.045","","","0.053","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005945","9.736","0.003","11.021","0.004","11.147","0.006","88.07","0.04","65.79","0.03","66.1","0.04","984.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl syn-(Z)-2-(4-methylphenyl- methylene)-3-(1,5,5-trimethyl-1,3,4,5- tetrahydro-2H-pyrrolidene)-butanedioate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","NA1259","Zellmer, D.; Niewa, R.; Preut, H.; Kreher, R. P.","A Functionalized Dimethyl 1,3-Butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1997","53","2","251","253","10.1107/S0108270196011420","","","0.71073","MoKα","","0.0735","0.0446","","0.1355","0.1125","","","","1.051","1.146","1.146","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005946","12.506","0.002","9.778","0.002","14.995","0.003","90","","95.43","0.05","90","","1825.4","0.6","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 N O2 Sn -","- C18 H23 N O2 Sn -","- C72 H92 N4 O8 Sn4 -","4","1","NA1265","Tahir, M. N.; Ülkü, D.; Danish, M.; Ali, S.; Badshah, A.; Mazhar, M.","{2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)","Acta Crystallographica Section C","1997","53","2","183","185","10.1107/S0108270196013157","","","0.71073","MoKα","","","0.021","","","0.029","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005947","9.034","0.001","10.228","0.001","12.392","0.002","78.71","0.01","71.05","0.01","69.4","0.01","1009.4","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate","","- C18 H19 N3 O9 -","- C20 H25 N3 O12 -","- C40 H50 N6 O24 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0579","","","0.1494","","","","","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005948","17.736","0.003","6.139","0.001","24.756","0.004","90","","108.46","0.01","90","","2556.8","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dineopentyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C25 H32 N2 O6 -","- C25 H38 N2 O6 -","- C100 H152 N8 O24 -","4","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0578","","","0.0654","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005949","8.089","0.002","11.495","0.002","15.707","0.005","69.29","0.02","88.12","0.02","87.03","0.02","1364.1","0.6","298","","298","","","","","","","","","4","P -1","-P 1","2","","dihexyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C27 H36 N2 O6 -","- C27 H35 N3 O8 -","- C54 H70 N6 O16 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0583","","","0.1267","","","","","0.853","0.853","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005950","5.14","0.002","14.784","0.003","11.941","0.002","90","","97.54","0.05","90","","899.5","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Co N2 O14 -","- C14 H16 Co N2 O14 -","- C28 H32 Co2 N4 O28 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005951","5.145","0.003","14.772","0.002","11.936","0.002","90","","97.56","0.04","90","","899.3","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O14 Zn -","- C14 H16 N2 O14 Zn -","- C28 H32 N4 O28 Zn2 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.026","","","0.033","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005952","16.7","0.001","17.781","0.001","19.708","0.001","90","","90","","90","","5852.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetramethylammonium bis(trifluoroacetato)triphenylstannate","","- C26 H27 F6 N O4 Sn -","- C26 H27 F6 N O4 Sn -","- C208 H216 F48 N8 O32 Sn8 -","8","1","SK1049","Ng, S. W.; Kumar Das, V. G.","The First Example of a Discrete Di(carboxylato)triorganostannate: Tetramethylammonium Triphenylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1997","53","2","212","213","10.1107/S0108270196012292","","","0.71073","MoKα","","0.0853","0.0509","","0.131","0.1168","","","","0.99","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005953","8.35","0.002","12.57","0.002","12.945","0.001","90","","92.21","0.01","90","","1357.7","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","ent-13-acetoxy-2β,3α-dihydroxy-1α-carboxy-10α-phenyl-20-norgibberell-16- ene-7,19-dioic acid 19,2-lactone 1',3-lactone 7-(methyl ester) acetonitrile solvate","","- C31 H33 N O8 -","- C31 H33 N O8 -","- C62 H66 N2 O16 -","2","1","TA1104","Mander, L. N.; Sherburn, M. S.; Willis, A. C.","The Unusual Structure of a C-Arylated Gibberellin Bis-γ-lactone Formed from a Free Radical-Initiated Cyclization","Acta Crystallographica Section C","1997","53","2","223","225","10.1107/S010827019601147X","","","1.5418","CopperKα","","0.053","0.053","","0.073","0.073","","","","2.017","2.017","2.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005954","7.163","0.002","37.56","0.01","5.113","0.003","90","","90","","90","","1375.6","1","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,13-tridecanediol","","","- C13 H28 O2 -","- C13 H28 O2 -","- C52 H112 O8 -","4","1","TA1115","Nakamura, N.; Tanihara, Y.; Takayama, T.","1,13-Tridecanediol","Acta Crystallographica Section C","1997","53","2","253","255","10.1107/S010827019601390X","","","1.5418","CuKα","","0.0755","0.0474","","0.1079","0.0758","","","","1.397","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005955","9.828","0.001","19.741","0.002","10.259","0.001","90","","112.573","0.002","90","","1837.9","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,4-dimethyl-5,8-diazadeca-4-ene-2,10-diamine)copper(II) tetrachlorozincate(II)","","- C10 H24 Cl4 Cu N4 Zn -","- C10 H24 Cl4 Cu N4 Zn -","- C40 H96 Cl16 Cu4 N16 Zn4 -","4","1","TA1120","Gladkikh, O. P.; Curtis, N. F.; Heath, S. L.","μ-Chloro-1:2κ^2^<i>Cl</i>-trichloro-2κ^3^<i>Cl</i>-(2,4-dimethyl-5,8-diazadec-4-ene-2,10-diamine-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II)zinc(II)","Acta Crystallographica Section C","1997","53","2","197","200","10.1107/S0108270196013108","","","0.71073","MoKα","","0.0347","0.0283","","0.065","0.0597","","","","1.129","1.142","1.142","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005956","14.935","0.004","12.158","0.006","17.499","0.009","90","","96.3","0.03","90","","3158","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H38 Mo5 N4 O23 P2 -","- C12 H38 Mo5 N4 O23 P2 -","- C48 H152 Mo20 N16 O92 P8 -","4","1","TA1123","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(ethylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","2","200","202","10.1107/S0108270196012024","","","0.71073","MoKα","","","0.024","","","0.022","","","","","2.9","2.9","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005957","9.339","0.002","18.136","0.003","7.615","0.002","90","","90","","90","","1289.8","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)~589~-Λ-amminebromobis(ethylenediamine-N.N')cobalt(III) dibromide","","- C4 H19 Br3 Co N5 -","- C4 H19 Br3 Co N5 -","- C16 H76 Br12 Co4 N20 -","4","1","TA1130","Nakagawa, H.; Ohba, S.; Asakura, K.; Miura, T.; Tanaka, A.; Osanai, S.","(+)~589~-Λ-Amminebromobis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) Dibromide","Acta Crystallographica Section C","1997","53","2","216","217","10.1107/S0108270196013479","","","0.71073","MoKα","","","0.0448","","","0.0324","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005958","11.187","0.001","11.284","0.001","11.5771","0.0008","103.991","0.007","99.233","0.009","106.523","0.008","1317.6","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","bis(lithium) tetris(tetramethylammonium) decavandadate dodecahydrate","","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","1","0.5","TA1131","Zavalij, P. Y.; Chirayil, T.; Whittingham, M. S.; Pecharsky, V. K.; Jacobson, R. A.","A New Decavanadate with Mixed Cations, [Li(H~2~O)~4~]~2~[N(CH~3~)~4~]~4~[V~10~O~28~].4H~2~O","Acta Crystallographica Section C","1997","53","2","170","171","10.1107/S0108270196013480","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005959","7.57","0.003","13.67","0.006","11.56","0.005","90","","102.9","0.04","90","","1166.1","0.9","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl6 N2 O6 Pt -","- C12 H32 Cl6 N2 O6 Pt -","- C24 H64 Cl12 N4 O12 Pt2 -","2","0.5","AB1374","Yilmaz, V. T.; İçbudak, H.; Howie, R. A.","Bis[tris(2-hydroxyethyl)ammonium] Hexachloroplatinate(IV)","Acta Crystallographica Section C","1997","53","3","294","296","10.1107/S0108270196011341","","","0.71073","MoKα","","","0.029","","","0.024","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005960","17.75","0.008","18.382","0.01","20.129","0.01","90","","109.31","","90","","6198","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexacopper(II) bis(hexaphenylsiloxanolate) dimethylformamide solvate","bis(hexa-μ-oxo-cis-2,4,6,8,10,12-hexaphenylsiloxan-2,4,6,8,10,12-olato)- hexa(dimethylformamido-O)hexacopper(II) dimethylformamide solvate,","","- C102 H130 Cu6 N10 O34 Si12 -","- C102 H130 Cu6 N10 O34 Si12 -","- C204 H260 Cu12 N20 O68 Si24 -","2","0.5","AB1396","Lindeman, S. V.; Shchegolikhina, O. I.; Molodtsova, Y. A.; Zhdanov, A. A.","Hexakis(dimethylformamide)bis(hexaphenylcyclohexasiloxanehexaolato)hexacopper(II) Dimethylformamide Solvate","Acta Crystallographica Section C","1997","53","3","305","309","10.1107/S0108270196010761","","","0.71073","MoKα","","0.1454","0.0545","","0.1195","0.0963","","","","1.042","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005961","11.7998","0.0012","10.1564","0.0011","19.5352","0.0018","90","","93.41","0.009","90","","2337","0.4","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 N2 S2 -","- C26 H18 Cl2 N2 S2 -","- C104 H72 Cl8 N8 S8 -","4","1","AB1401","İde, S.; Öztaş, G.; Ancin, N.; Tüzün, M.","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-2,2'-diaminodiphenyl disulfide","Acta Crystallographica Section C","1997","53","3","376","378","10.1107/S0108270196013832","","","0.71073","MoKα","","","0.046","","","0.045","","","","","0.71","0.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005962","8.181","0.003","21.02","0.004","17.402","0.001","90","","90","","90","","2992.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(1R*,3R*,4S*)-4-Tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1- methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","AB1410","Pizarro, J. L.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>R</i>*,4<i>S</i>*)-4-(<i>tert</i>-Butyldiphenylsilyloxy)-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1997","53","3","355","358","10.1107/S0108270196013376","","","0.71069","MoKα","","0.036","0.0305","","0.0925","0.0829","","","","1.121","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005963","10.433","0.004","12.538","0.005","13.27","0.005","84.71","0.03","77.78","0.03","78.42","0.03","1659.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trans-Diiodobis(triphenylarsine)platinum(II): Correlation of structural cis effect","","- C36 H30 As2 I2 Pt -","- C36 H30 As2 I2 Pt -","- C72 H60 As4 I4 Pt2 -","2","1","AB1414","Otto, S.; Roodt, A.","<i>trans</i>-Diiodobis(triphenylarsine-<i>As</i>)platinum(II)","Acta Crystallographica Section C","1997","53","3","280","282","10.1107/S0108270196013844","","","0.71073","MoKα","","0.0397","0.0397","","0.1143","0.1143","","","","1.085","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005964","8.6903","0.0012","10.3999","0.0014","11.9025","0.0013","68.481","0.001","71.813","0.001","64.844","0.001","890.1","0.2","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","AB1416","Özbey, S.; Tunouǧlu, N.","Diethyl 3-(1-Morpholinyl)-2,8-cyclooctadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1997","53","3","380","381","10.1107/S0108270196013091","","","0.71073","MoKα","","","0.0401","","","0.0419","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005965","7.767","0.001","7.882","0.001","17.431","0.003","90","","100.93","0.02","90","","1047.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-acetylpyridine thiosemicarbazone hydrochloride","","- C8 H11 Cl N4 S -","- C8 H11 Cl N4 S -","- C32 H44 Cl4 N16 S4 -","4","1","AB1422","Abram, S.; Abram, U.","2-[1-(Thiosemicarbazono)ethyl]pyridinium Chloride","Acta Crystallographica Section C","1997","53","3","360","362","10.1107/S0108270196014114","","","0.71073","MoKα","","0.0714","0.0381","","0.1032","0.0892","","","","1.121","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005966","14.861","0.003","3.98","0.005","11.926","0.002","90","","93.21","0.02","90","","704.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-6-fluorobenzothiazole","2-Amino-6-fluorobenzothiazole","","- C7 H5 F N2 S -","- C7 H5 F N2 S -","- C28 H20 F4 N8 S4 -","4","1","BK1164","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","2-Amino-6-fluorobenzothiazole","Acta Crystallographica Section C","1997","53","3","381","383","10.1107/S0108270196014369","","","0.71069","MoKα","","0.0414","0.035","","0.111","0.1053","","","","0.93","0.948","0.948","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005967","7.721","0.004","8.695","0.002","11.347","0.009","83.09","0.04","79.79","0.06","81.38","0.02","737.8","0.7","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","BK1261","Kumaradhas, P.; Nirmala, K. A.","(±)-<i>trans</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1997","53","3","315","318","10.1107/S0108270196011845","","","1.5418","CuKα","","","0.058","","","0.14","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005968","12.05","0.006","5.612","0.002","23.795","0.004","90","","102.46","0.02","90","","1571.2","1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","BK1267","Kumaradhas, P.; Nirmala, K. A.","(±)-2-[Hydroxy(4-methoxyphenyl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one Hydrate","Acta Crystallographica Section C","1997","53","3","313","315","10.1107/S0108270196011857","","","0.7093","MoKα","","","0.05","","","0.094","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005969","10.788","0.002","13.754","0.004","19.164","0.005","79.13","0.02","81.39","0.02","69.45","0.02","2604","1.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I O4 Os2 P3 -","- C66 H40 I O4 Os2 P3 -","- C132 H80 I2 O8 Os4 P6 -","2","1","BK1268","Herlinger, A. W.; Rheingold, A. L.","Tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-μ-diphenylphosphido-<i>P</i>:<i>P</i>-μ-iodo-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-diosmium(<i>Os</i>—<i>Os</i>) Benzene Solvate","Acta Crystallographica Section C","1997","53","3","285","287","10.1107/S0108270196013911","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005970","14.0117","0.0011","8.0111","0.0005","21.6959","0.0011","90","","99.123","0.005","90","","2404.5","0.3","296","","296","","","","","","","","","4","P 1 2 1","P 2y","3","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Quarterhydrate","","- C25 H43.5 N O4.25 -","- C25 H43.5 N O4.25 -","- C100 H174 N4 O17 -","4","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.07","0.044","","0.135","0.11","","","","1.075","1.011","1.011","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005971","16.8089","0.0009","38.7649","0.001","7.887","0.005","90","","90","","90","","5139","3","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Sesquihydrate","","- C25 H46 N O5.5 -","- C25 H46 N O5.5 -","- C200 H368 N8 O44 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.165","0.065","","0.237","0.165","","","","1.2","1.224","1.224","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005972","16.565","0.003","39.504","0.004","7.824","0.008","90","","90","","90","","5120","5","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N-dimethyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Hemihydrate","","- C26 H49 N O5.5 -","- C26 H46 N O4.5 -","- C208 H368 N8 O36 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.233","0.07","","0.256","0.163","","","","1.057","1.236","1.236","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005973","7.371","0.0007","11.1271","0.0016","19.191","0.0016","90","","99.725","0.008","90","","1551.4","0.3","287","","287","","","","","","","","","3","P 1 21 1","P 2yb","4","","succinyl oleanolic acid","","- C34 H52 O6 -","- C34 H52 O6 -","- C68 H104 O12 -","2","1","BK1288","Yang, J.; Quail, J. W.; Jia, Z.","Succinyl Oleanolic Acid","Acta Crystallographica Section C","1997","53","3","349","351","10.1107/S0108270196013923","","","0.7093","MolybdenumKα","","0.06","0.047","","0.053","0.05","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005974","7.908","0.001","7.908","0.001","15.15","0.002","90","","90","","90","","947.4","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","(-)-anti-Isoketopinic acid","(-)-2-oxo-1,7-dimethylbicyclo[2.2.1]heptane-7-anti-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","BK1292","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid","Acta Crystallographica Section C","1997","53","3","370","372","10.1107/S0108270196013959","","","0.71073","MoKα","","0.0718","0.051","","0.122","0.1137","","","","0.94","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005975","7.737","0.001","12.249","0.001","12.247","0.001","90","","94.17","0.01","90","","1157.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BM1068","Elerman, Y.; Kabak, M.","2-(3-Methoxy-2-hydroxyphenyl)benzimidazole","Acta Crystallographica Section C","1997","53","3","372","374","10.1107/S0108270196013972","","","0.71073","MoKα","","0.079","0.058","","0.152","0.145","","","","1.099","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005976","12.151","0.001","9.846","0.001","10.642","0.001","90","","107.14","0.04","90","","1216.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O10 -","- C23 H29 N O10 -","- C46 H58 N2 O20 -","2","1","BM1091","Jesús Diánez, M.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","<i>N</i>-Acetyl-2,3,4,6-tetra-<i>O</i>-acetyl-<i>N</i>-benzyl-β-<small>D</small>-glucopyranosylamine","Acta Crystallographica Section C","1997","53","3","378","379","10.1107/S0108270196014230","","","0.7107","MoKα","","0.0646","0.0485","","0.1568","0.1275","","","","1.094","1.035","1.035","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2005977","8.145","0.004","16.375","0.005","17.274","0.004","90","","92.26","0.03","90","","2302.1","1.4","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C88 H88 N8 O24 S8 -","8","2","BM1104","Barkley, J. V.; Cristiano, M. L. S.; Johnstone, R. A. W.; Loureiro, R. M. S.","3-(<i>E</i>)-But-2-enoxy-1,2-benzisothiazole 1,1-Dioxide: Unusual C—O—C Ether Bond Lengths and Reactivity","Acta Crystallographica Section C","1997","53","3","383","386","10.1107/S0108270196014151","","","0.71073","MoKα","","","0.0569","","","0.0623","","","","","1.81","1.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005978","6.8753","0.001","6.8753","0.001","9.419","0.002","90","","90","","90","","445.23","0.13","293","2","293","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","Caesium-gadolinium-tetratelluride","","","- Cs Gd Te4 -","- Cs Gd Te4 -","- Cs2 Gd2 Te8 -","2","0.125","BR1154","Bensch, W.; Dürichen, P.","Caesium Gadolinium Tetratelluride","Acta Crystallographica Section C","1997","53","3","267","269","10.1107/S0108270196012309","","","0.71073","MoKα","","0.0372","0.0209","","0.0415","0.038","","","","1.007","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005979","11.715","0.004","5.8","0.002","24.694","0.009","90","","102.1","0.03","90","","1640.6","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Lead - dodecabismuth - pentamolybdenum - oxide","","- Bi12 Mo5 O34 Pb -","- Bi12 Mo5 O34 Pb -","- Bi24 Mo10 O68 Pb2 -","2","0.5","BR1164","Enjalbert, R.; Hasselmann, G.; Galy, J.","A New Mixed Oxide with (Bi~12~O~14~)~<i>n~</i> Columns: PbBi~12~Mo~5~O~34~","Acta Crystallographica Section C","1997","53","3","269","272","10.1107/S0108270196013698","","","0.71069","MoKα","","0.0673","0.0643","","0.1675","0.164","","","","0.904","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005980","8.084","0.004","8.389","0.003","10.216","0.003","96.04","0.03","92.73","0.03","115.9","0.04","616.4","0.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C22 H24 N8 O6 S2 -","2","1","CF1099","Zhang, Q.; Li, S.; Wang, L.; Liu, J.; Huang, X.","2-Amino-5-methyl-10b<i>H</i>-1,3,4-thiadiazolo[3,2-<i>c</i>]quinazolin-6-ium-10b-carboxylate Hydrate","Acta Crystallographica Section C","1997","53","3","325","327","10.1107/S0108270196013935","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005981","13.991","0.001","5.748","0.001","21.569","0.002","90","","90.619","0.008","90","","1734.5","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 S -","- C21 H17 N3 S -","- C84 H68 N12 S4 -","4","1","CF1106","Jing, L.; He-Liang, F.; Jie, S.; Wei-Xing, C.","3-Anilino-<i>N</i>-phenyl-1<i>H</i>-indole-2-carbothioamide","Acta Crystallographica Section C","1997","53","3","320","322","10.1107/S0108270196012668","","","0.71069","MoKα","","","0.034","","","0.04","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005982","19.186","0.0006","6.4523","0.0004","20.9867","0.0006","90","0.2","118.69","0.02","90","0.2","2279.1","0.5","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","CF1111","Chatel, F.; Boyer, G.; Galy, J. P.","5-(<i>p</i>-Tolylamino)benzo-1,3-dioxole","Acta Crystallographica Section C","1997","53","3","391","393","10.1107/S010827019601267X","","","0.71073","MoKα","","0.079","0.038","","","0.048","","","","","1.725","1.725","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005983","9.095","0.003","9.16","0.003","8.189","0.002","101.9","0.02","101.54","0.02","59.34","0.02","570.6","0.3","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","CF1120","Kakehi, A.; Kitajima, K.; Ito, S.; Matsubara, K.","A 2<i>H</i>-Pyrano[3,2-<i>a</i>]indolizine Derivative","Acta Crystallographica Section C","1997","53","3","353","355","10.1107/S0108270196012644","","","0.71069","MoKα","","","0.039","","","0.048","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005984","4.683","0.001","10.482","0.002","22.529","0.005","90","","90","","90","","1105.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-bis(p-fluorophenyl)-triazene","","- C12 H9 F2 N3 -","- C12 H9 F2 N3 -","- C48 H36 F8 N12 -","4","1","CF1138","Anulewicz, R.","1,3-Bis(<i>p</i>-fluorophenyl)triazene","Acta Crystallographica Section C","1997","53","3","345","346","10.1107/S0108270196013881","","","1.54178","CuKα","","0.0667","0.0466","","0.1376","0.1207","","","","1.013","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005985","13.735","0.003","16.082","0.006","14.255","0.004","90","","90","","90","","3148.7","1.6","296","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C8 H17 Cl Cu N6 O4 S -","- C7 H17 Cl Cu N7 O8 S -","- C56 H136 Cl8 Cu8 N56 O64 S8 -","8","1","CF1139","Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.","(Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate","Acta Crystallographica Section C","1997","53","3","276","278","10.1107/S0108270196013893","","","0.71073","MoKα","","","0.041","","","0.056","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005986","8.995","0.006","9.748","0.007","14.655","0.011","97.39","0.05","99.85","0.05","113.16","0.03","1136.5","1.5","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","4,4'-Dimethylbipyridine-bis(6-chloro-2-pyridonato)zinc hydrate","","- C22 H20 Cl2 N4 O3 Zn -","- C22 H20 Cl2 N4 O3 Zn -","- C44 H40 Cl4 N8 O6 Zn2 -","2","1","CF1147","Mowat, C. G.; Parsons, S.; Solan, G. A.; Winpenny, R. E. P.","Bis(6-chloro-2-pyridonato-<i>N</i>,<i>O</i>)(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')zinc(II) Hydrate at 150 K","Acta Crystallographica Section C","1997","53","3","282","283","10.1107/S0108270196013868","","","0.71073","MoKα","","0.0691","0.0443","","0.1086","0.0962","","","","1.031","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005987","8.557","0.004","9.064","0.002","10.961","0.003","66.83","0.01","75.36","0.03","62.05","0.02","688","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetrametylethylendiammonium Cyclotetraphosphate Tetrahydrate","","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","1","0.5","DU1166","Thabet, H.; Jouini, A.; El Hassane, S.","Bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium) Cyclotetraphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","3","318","320","10.1107/S0108270196012139","","","0.71069","MoKα","","0.0502","0.0413","","0.1165","0.1048","","","","1.189","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005988","12.092","0.004","20.54","0.002","7.772","0.002","90","","90","","90","","1930.3","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(exo-mercapto)-2'-thioxo-(1R, 1R')-3-(exo),3'-(exo)-bibornanyl","","- C20 H32 S2 -","- C20 H32 S2 -","- C80 H128 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0359","0.0314","","0.084","0.0816","","","","1.026","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005989","11.353","0.004","22.289","0.002","7.468","0.001","90","","90","","90","","1889.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-dehydro-2,2'-(exo)-epidithio-3,3'-bibornane","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0323","0.0297","","0.0787","0.0773","","","","1.055","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005990","12.335","0.001","21.044","0.002","7.293","0.002","90","","90","","90","","1893.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(endo),2'-(exo)-epidithio-3,3'-bibornanylidene","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.1127","0.0536","","0.1494","0.1254","","","","1","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005991","10.476","0.001","19.543","0.003","20.69","0.003","74.32","0.07","89.44","0.07","81.22","0.06","4028.3","1.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","Chlorobis(dimethylphenylphosphine){bis(thiodiphenylphosphino)amido-S,S'}- nitridorhenium(V)","","- C40 H42 Cl N2 P4 Re S2 -","- C40 H42 Cl N2 P4 Re S2 -","- C160 H168 Cl4 N8 P16 Re4 S8 -","4","2","FR1002","Abram, U.; Schulz Lang, E.; Dilworth, J. R.","[Bis(thiodiphenylphosphino-<i>S</i>)amido]chlorobis(dimethylphenylphosphine-<i>P</i>)nitridorhenium(V)","Acta Crystallographica Section C","1997","53","3","289","292","10.1107/S0108270196013790","","","0.71073","MoKα","","0.0812","0.044","","0.1045","0.0846","","","","1.122","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005992","10.32","0.004","17.062","0.008","21.803","0.001","90","","90.28","0.02","90","","3839","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","acetonitrile(η^5^-cyclopentadienyl)bis(triphenylphosphine) ruthenium(II) tetrafluoroborate","","- C43 H38 B F4 N P2 Ru -","- C43 H38 B F4 N P2 Ru -","- C172 H152 B4 F16 N4 P8 Ru4 -","4","1","FR1009","Carreón, O. Y.; Leyva, M. A.; Fernández-G., J. M.; Pénicaud, A.","(Acetonitrile-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","3","301","302","10.1107/S0108270196013674","","","0.71069","MoKα","","","0.0399","","","0.0489","","","","","1.065","1.065","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2005993","15.096","0.003","15.381","0.003","13.373","0.003","90","","116.431","0.015","90","","2780.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","imidazole-4-acetic acid picric acid","","- C11 H9 N5 O9 -","- C11 H9 N5 O9 -","- C88 H72 N40 O72 -","8","1","FR1010","In, Y.; Nagata, H.; Doi, M.; Ishida, T.; Wakahara, A.","Imidazole-4-acetic Acid‒Picric Acid (1/1) Complex","Acta Crystallographica Section C","1997","53","3","367","369","10.1107/S0108270196012899","","","1.5418","CuKα","","0.0634","0.0447","","0.1761","0.1375","","","","0.986","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005994","8.472","0.002","7.107","0.002","6.533","0.002","90","","99.84","0.02","90","","387.57","0.19","299","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 N O S -","- C3 H8.5 N0.5 O0.5 S0.5 -","- C6 H17 N O S -","2","0.5","FR1014","Honda, K.; Tsuchiya, T.","3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-butenethioamide","Acta Crystallographica Section C","1997","53","3","374","376","10.1107/S0108270196013686","","","0.7107","MoKα","","0","0.053","","0","0.058","","","","0","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005995","10.154","0.001","10.923","0.001","16.698","0.002","90","","90","","90","","1852","0.3","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","HA1168","Rodríguez, A. D.; González, E.; Huang, S. D.","Euniciniatin","Acta Crystallographica Section C","1997","53","3","311","313","10.1107/S010827019601308X","","","0.7107","MoKα","","","0.0585","","","0.0672","","","","","1.584","1.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005996","10.952","0.001","19.853","0.002","10.496","0.001","90","","111.45","0.01","90","","2124.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-(2-(4-hydroxy-3-methoxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate","","- C22 H25 N O6 S -","- C22 H25 N O6 S -","- C88 H100 N4 O24 S4 -","4","1","HA1173","Zhang, D.-C.; Zhang, T.-Z.; Zhang, Y.-Q.; Fei, Z.-H.; Yu, K.-B.","4'-Hydroxy-3'-methoxy-<i>N</i>-methyl-4-stilbazolium Tosylate Hydrate, C~15~H~16~NO~2~^+^.C~7~H~7~O~3~S^{-^}.H~2~O","Acta Crystallographica Section C","1997","53","3","364","365","10.1107/S010827019601414X","","","0.71073","MoKα","","0.0673","0.0399","","0.1048","0.0975","","","","0.902","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005997","23.024","0.003","13.343","0.003","23.035","0.003","90","","107","0.03","90","","6767","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O6 Sr -","- C10 H6 O6 Sr -","- C240 H144 O144 Sr24 -","24","6","JZ1136","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Hetero-Ring Oxygen Coordination to Strontium in Strontium Bis(2-furancarboxylate)","Acta Crystallographica Section C","1997","53","3","287","289","10.1107/S0108270196011018","","","0.71073","MoKα","","0.1599","0.0457","","0.1408","0.1162","","","","0.885","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005998","6.2976","0.0007","10.0596","0.0014","12.8122","0.0011","90","","93.316","0.008","90","","810.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dichloride","","- C12 H16 Cl2 Cu N4 O4 -","- C12 H16 Cl2 Cu N4 O4 -","- C24 H32 Cl4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0255","0.0234","","0.0666","0.0655","","","","1.102","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005999","6.3722","0.0006","10.2962","0.0008","13.1279","0.0014","90","","94.4","0.008","90","","858.78","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dibromide","","- C12 H16 Br2 Cu N4 O4 -","- C12 H16 Br2 Cu N4 O4 -","- C24 H32 Br4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0334","0.0286","","0.0767","0.0746","","","","1.097","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006000","9.543","0.004","10.176","0.002","11.34","0.003","84.56","0.02","113.62","0.03","114.04","0.02","918.4","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","1,4-bis(trimethylindium)-1,4-dibenzylpiperazine","","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","1","0.5","KH1102","Ma, X.; Pan, Y.; Wu, L.; Huang, X.; Sun, H.; Zhu, C.","[μ-(1,4-Dibenzylpiperazine)-<i>N</i>:<i>N</i>']bis(trimethylindium) Dibenzene Solvate","Acta Crystallographica Section C","1997","53","3","278","279","10.1107/S0108270196013169","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.94","1.94","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2006001","10.471","0.003","14.347","0.002","13.29","0.003","90","","111.65","0.02","90","","1855.7","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cu N3 O5 -","- C20 H17 Cu N3 O5 -","- C80 H68 Cu4 N12 O20 -","4","1","KH1108","Zhang, L.; Xu, D.; Xu, Y.; Gu, J.","(Benzoylacetonato-<i>O</i>,<i>O</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","3","299","301","10.1107/S0108270196012358","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006002","7.921","0.013","11.786","0.026","14.714","0.01","90","","90","","90","","1374","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,4 butane diammonium malonate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","0.5","KH1123","Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N.","Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid","Acta Crystallographica Section C","1997","53","3","365","367","10.1107/S010827019601342X","","","0.71073","MoKα","","0.0453","0.0445","","0.1199","0.1185","","","","0.556","0.561","0.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006003","10.9126","0.0005","11.5192","0.0006","14.182","0.001","94.715","0.005","97.083","0.005","96.918","0.004","1747.71","0.18","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-dimethyldithiocarbamyl)acetato(quinolinolato)triphenyltin","","- C35 H35 N3 O3 S4 Sn -","- C35 H35 N3 O3 S4 Sn -","- C70 H70 N6 O6 S8 Sn2 -","2","1","KH1133","Ng, S. W.","[Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetato-<i>O</i>]triphenyl(quinoline <i>N</i>-oxide-<i>O</i>)tin","Acta Crystallographica Section C","1997","53","3","274","276","10.1107/S0108270196013704","","","0.71073","MoKα","","0.06","0.053","","0.154","0.1467","","","","1.031","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006004","10.035","0.004","11.09","0.008","12.325","0.004","65.28","0.09","70.5","0.03","70.37","0.05","1143.2","1.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","Tetra-p-chlorophenyltin","","- C24 H16 Cl4 Sn -","- C24 H16 Cl4 Sn -","- C48 H32 Cl8 Sn2 -","2","1","KH1137","Ng, S. W.","Tetra(<i>p</i>-chlorophenyl)tin","Acta Crystallographica Section C","1997","53","3","273","274","10.1107/S0108270196013716","","","0.71073","MoKα","","0.0361","0.0288","","0.0787","0.0708","","","","1.068","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006005","10.005","0.003","17.535","0.003","16.509","0.002","90","","90","","90","","2896.3","1.1","293","","293","","","","","","","","","3","P b c a","","","","2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene","","- C18 H18 Si -","- C18 H18 Si -","- C144 H144 Si8 -","8","1","MU1274","Wagner, T.; Marx, H.-W.; Moss, S.","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-2-silacyclopenta[<i>l</i>]phenanthrene","Acta Crystallographica Section C","1997","53","3","344","345","10.1107/S0108270196013315","","","1.54184","CuKα","","","0.04","","","0.059","","","","","2.203","2.203","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006006","6.283","0.001","26.437","0.002","8.1851","0.0009","90","","96.54","0.01","90","","1350.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(p-methoxyphenyl)telluride","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","MU1290","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Capparelli, M. V.; Torres-Castellanos, L.","Bis(<i>p</i>-methoxyphenyl) Telluride","Acta Crystallographica Section C","1997","53","3","342","343","10.1107/S0108270196013194","","","0.71069","MoKα","","0.0359","0.025","","0.0688","0.0659","","","","1.084","1.158","1.158","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006007","9.573","0.004","20.857","0.006","20.467","0.007","90","","95.86","0.03","90","","4065","2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 N2 Ni O8 P2 -","- C36 H66 N2 Ni O8 P2 -","- C144 H264 N8 Ni4 O32 P8 -","4","1","MU1297","Kennedy, A. R.; Sloss, S. W.; Spicer, M. D.","<i>cis</i>-Di(nitrato-<i>O</i>,<i>O</i>')bis(tricyclohexylphosphine oxide-<i>O</i>)nickel(II)","Acta Crystallographica Section C","1997","53","3","292","293","10.1107/S0108270196014229","","","0.71069","MoKα","","0.1309","0.0416","","0.0567","0.0463","","","","","1.452","1.452","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006008","17.812","0.002","8.2826","0.0011","19.064","0.004","90","","99.878","0.014","90","","2770.8","0.8","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.1315","0.0739","","0.1908","0.1482","","","","1.109","1.182","1.182","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006009","17.779","0.002","8.238","0.001","18.881","0.003","90","","99.92","0.01","90","","2724","0.6","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.127","0.0723","","0.1997","0.1467","","","","1.159","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006010","8.1524","0.0008","9.3328","0.0004","11.4597","0.0006","66.924","0.004","78.185","0.006","83.396","0.005","784.56","0.1","293","","","","","","","","","","","5","P -1","-P 1","2","","N-bezenesulfonyl-3-methylbenz[f]indole","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","NA1271","Yokum, T. S.; Fronczek, F. R.","<i>N</i>-Phenylsulfonyl-3-methylbenz[<i>f</i>]indole","Acta Crystallographica Section C","1997","53","3","362","363","10.1107/S0108270196014187","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.572","1.572","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006011","9.269","0.002","6.459","0.002","13.989","0.002","90","","106.43","0.02","90","","803.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,4α-epoxy-5α-androstan-17-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","NA1273","Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4α-Epoxy-5α-androstan-17-one","Acta Crystallographica Section C","1997","53","3","347","349","10.1107/S0108270196014394","","","0.7093","MoKα","","0.0576","0.0348","","0.1036","0.0891","","","","1.004","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006012","13.636","0.002","12.597","0.002","13.794","0.001","90","","97.875","0.009","90","","2347.1","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","fluorescein sodium","sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate","","- C20 H26 Na2 O13 -","- C20 H26 Na2 O13 -","- C80 H104 Na8 O52 -","4","1","OA1007","Yamaguchi, K.; Tamura, Z.; Maeda, M.","Disodium Fluorescein Octahydrate","Acta Crystallographica Section C","1997","53","3","284","285","10.1107/S0108270196010487","","","1.5418","CuKα","","","0.0637","","","0.0777","","","","","2.114","2.114","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006013","8.137","0.002","12.363","0.002","10.537","0.002","90","0.02","98.77","0.02","90","0.02","1047.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O6 Si -","- C20 H23 Cl O6 Si -","- C40 H46 Cl2 O12 Si2 -","2","1","OA1012","White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G.","(1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione","Acta Crystallographica Section C","1997","53","3","386","387","10.1107/S0108270196013595","","","1.5418","CuKα(Nifiltered)","","0.0438","0.0397","","0.1046","0.0977","","","","1.235","1.196","1.196","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006014","11.813","0.002","6.41","0.002","30.552","0.004","90","","91.58","0.01","90","","2312.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Substituted βeta\-lactam","N-(1'-thiophenyl)benzyl-3-phenyl-4-phenoxy-azetidine-2-one","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","PA1239","Srirajan, V.; Bhawal, B. M.; Puranik, V. G.","Novel Protective Group in β-Lactam Chemistry: 3-Phenoxy-4-phenyl-<i>N</i>-[α-(phenylthio)benzyl]azetidin-2-one","Acta Crystallographica Section C","1997","53","3","358","360","10.1107/S0108270196011973","","","0.7093","MoKα","","0.0971","0.0677","","0.2597","0.1983","","","","1.127","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006015","11.049","0.006","17.638","0.003","15.894","0.002","90","","91.12","0.02","90","","3096.9","1.8","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H15 O10 Os3 P -","- C29 H15 O10 Os3 P -","- C116 H60 O40 Os12 P4 -","4","1","SK1030","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Spodine, E.","Nonacarbonyl[μ~3~-(1,2-diphenylethyl)phenylphosphinito]triosmium(2 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1997","53","3","302","305","10.1107/S0108270196008219","","","0.71069","MoKα","","","0.0454","","","0.0552","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006016","20.7727","0.0002","20.7727","0.0002","36.6751","0.0001","90","","90","","90","","15825.5","0.2","150","","150","","","","","","","","","3","I 41/a :2","-I 4ad","88","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-phenyl-methane","","- C23 H28 O4 -","- C23 H28 O4 -","- C736 H896 O128 -","32","2","SK1062","Bolte, M.; Degen, A.; Rühl, S.","Twinned Crystal Structure of Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane at 150K","Acta Crystallographica Section C","1997","53","3","340","342","10.1107/S0108270196013078","","","0.71073","MoKα","","0.0441","0.0392","","0.0855","0.0825","","","","1.18","1.178","1.178","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006017","15.279","0.004","9.812","0.003","18.178","0.004","90","","111.96","0.02","90","","2527.5","1.2","297","","24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 O5 S -","- C24 H34 N4 O5 S -","- C96 H136 N16 O20 S4 -","4","1","TA1073","Iwata, M.; Nagase, H.; Endo, T.; Ueda, H.","Glimepiride","Acta Crystallographica Section C","1997","53","3","329","331","10.1107/S0108270196002363","","","1.5418","CuKα","","","0.046","","","0.077","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006018","5.352","0.002","15.186","0.002","12.013","0.001","90","","95.87","0.02","90","","971.2","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-pyridinium perchlorate","","- C7 H9 Cl N2 O5 -","- C7 H9 Cl N2 O5 -","- C28 H36 Cl4 N8 O20 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0559","","","0.0766","","","","","2.9","2.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006019","11.528","0.003","8.643","0.003","19.141","0.002","90","","106.56","0.01","90","","1828","0.8","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-N'-methyl-4,4'-bipyridinium bis(perchlorate) hydrate","","- C13 H17 Cl2 N3 O10 -","- C13 H17 Cl2 N3 O10 -","- C52 H68 Cl8 N12 O40 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0569","","","0.0624","","","","","2.89","2.89","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006020","9.447","0.001","10.037","0.002","17.04","0.002","90","","100.21","0.01","90","","1590.1","0.4","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H42 O6 -","- C37 H42 O6 -","- C74 H84 O12 -","2","1","TA1108","Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F.","Inclusion Complex of (<i>S</i>)-1,3-Butanediol with (<i>S</i>,<i>S</i>)-(+)-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane","Acta Crystallographica Section C","1997","53","3","351","353","10.1107/S0108270196014175","","","1.5418","CuKα","","","0.0432","","","0.0553","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006021","13.081","0.002","13.473","0.002","17.148","0.003","90","","93.73","0.01","90","","3015.8","0.8","295.2","","295.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cl4 N4 O5 S2 -","- C30 H18 Cl4 N4 O5 S2 -","- C120 H72 Cl16 N16 O20 S8 -","4","1","TA1116","Cox, O.; Cordero, M.; Piñeiro, S.; Huang, S. D.","Bis[(<i>E</i>)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] Hydrate","Acta Crystallographica Section C","1997","53","3","310","311","10.1107/S0108270196013352","","","0.7107","MoKα","","","0.0706","","","0.0936","","","","","2.161","2.161","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006022","9.977","0.004","5.757","0.004","16.047","0.003","90","","96.26","0.02","90","","916.2","0.8","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O5 -","- C17 H26 N2 O5 -","- C34 H52 N4 O10 -","2","1","TA1117","Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.","1-Acetyl-4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-3-menthyloxycarbonyl]piperazine-2,5-dione","Acta Crystallographica Section C","1997","53","3","327","329","10.1107/S0108270196013753","","","1.5418","CuKα","","0.0983","0.0983","","0.0448","0.0448","","","","1.989","1.989","1.989","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006023","13.683","0.003","5.317","0.001","13.717","0.003","90","","119.67","0.03","90","","867.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium manganese fluoride phosphate","","- F Mn Na2 O4 P -","- F Mn Na2 O4 P -","- F8 Mn8 Na16 O32 P8 -","8","2","AB1400","Yakubovich, O. V.; Karimova, O. V.; Mel'nikov, O. K.","The Mixed Anionic Framework in the Structure of Na~2~{MnF[PO~4~]}","Acta Crystallographica Section C","1997","53","4","395","397","10.1107/S0108270196014102","","","0.71069","MoKα","","0.037","0.0367","","0.0974","0.0972","","","","1.292","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006024","23.986","0.003","14.076","0.002","10.493","0.002","90","","90","","90","","3542.7","1","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","AB1419","Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.","13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione","Acta Crystallographica Section C","1997","53","4","496","498","10.1107/S0108270196015284","","","0.71069","MoKα","","","0.052","","","0.056","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006025","7.435","0.002","18.709","0.003","7.5618","0.0013","90","","113.078","0.014","90","","967.7","0.4","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(3-methyladenine)dichlorodimethyltin(IV)","","- C14 H20 Cl2 N10 Sn -","- C14 H20 Cl2 N10 Sn -","- C28 H40 Cl4 N20 Sn2 -","2","0.5","AB1424","Hazell, A.; Ouyang, J.; Khoo, L. E.","Dichlorodimethylbis(3-methyladenine-<i>N</i>^7^)tin(IV)","Acta Crystallographica Section C","1997","53","4","406","408","10.1107/S0108270196015132","","","0.71073","MoKα","","","0.043","","","0.054","","","","","1.81","1.81","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006026","10.3121","0.0012","13.9765","0.0012","14.973","0.002","101.622","0.008","104.206","0.01","99.248","0.008","1998.3","0.4","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","11,17-Di-tert-butyl-25,26,27,28-tetrahydroxy-2,5,23-trimethyl-14-(4-nitro- phenyl)calix[4]arene Hemichloroform Solvate","","- C45.5 H49.5 Cl1.5 N O6 -","- C45.5 H49.5 Cl1.5 N O6 -","- C91 H99 Cl3 N2 O12 -","2","1","AB1430","Böhmer, V.; Ferguson, G.; Grüttner, C.; Vogt, W.","Intra- and Intermolecular Hydrogen Bonding in a Tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1997","53","4","469","472","10.1107/S0108270196015508","","","0.7107","MolybdenumKα","","0.2328","0.0536","","0.1803","0.1323","","","","0.847","1.256","1.256","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006027","6.641","0.001","10.005","0.002","10.114","0.003","84.42","0.02","73.52","0.01","78.45","0.01","630.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl3 Mn N2 O -","- C10 H10 Cl3 Mn N2 O -","- C20 H20 Cl6 Mn2 N4 O2 -","2","1","AV1000","Tesouro, A.; Corbella, M.; Stoeckli-Evans, H.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')trichloromanganese(III)","Acta Crystallographica Section C","1997","53","4","430","432","10.1107/S0108270196014333","","","0.71073","MoKα","","0.1022","0.0691","","0.2508","0.192","","","","1.027","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006028","11.799","0.002","25.195","0.004","9.009","0.002","90","0.01","90","0.02","90","0.01","2678.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bispentafluorophenylurea","N,N'-bispentafluorophenylurea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C104 H16 F80 N16 O8 -","8","1","BK1165","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","<i>N</i>,<i>N</i>'-Bis(pentafluorophenyl)urea","Acta Crystallographica Section C","1997","53","4","455","457","10.1107/S010827019601428X","","","0.71069","MoKα","","0.087","0.049","","0.107","0.0951","","","","1.021","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006029","7.279","0.001","8.455","0.002","11.408","0.002","67.73","0.01","85.15","0.01","84.51","0.02","645.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","adeninium-2-fluorobenzoatemonohydrate","2-aminopurinium-2-fluorobenzoatemonohydrate","","- C12 H12 F N5 O3 -","- C12 H12 F N5 O3 -","- C24 H24 F2 N10 O6 -","2","1","BK1179","Jai-nhuknan, J.; Karipides, A. G.; Cantrell, J. S.","1-Adeninium 2-Fluorobenzoate Monohydrate","Acta Crystallographica Section C","1997","53","4","454","455","10.1107/S0108270196014825","","","0.71069","MoKα","","0.0554","0.045","","0.124","0.1161","","","","1.05","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006030","9.639","0.002","16.346","0.002","24.1086","0.0014","90","","90.563","0.009","90","","3798.3","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B8 Cl Ir P2 -","- C8 H18 B8 Cl Ir P2 -","- C64 H144 B64 Cl8 Ir8 P16 -","8","2","BK1240","Bould, J.; Rath, N. P.; Barton, L.","The <i>isonido</i>-Metalladicarbaborane [1,1,1-H{P(CH~3~)~3~}~2~-6-Cl-1,2,4-IrC~2~B~8~H~9~]","Acta Crystallographica Section C","1997","53","4","416","419","10.1107/S0108270196014199","","","0.71073","MoKα","","0.1329","0.062","","0.137","0.1102","","","","1.024","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006031","9.3531","0.0001","11.264","0.0002","14.1166","0.0002","96.705","0.001","93.814","0.001","111.296","0.001","1366.63","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 Cl N3 Si2 W -","- C23 H38 Cl N3 Si2 W -","- C46 H76 Cl2 N6 Si4 W2 -","2","1","BK1269","Wang, S.-Y. S.; Boncella, J. M.; Abboud, K. A.","A Chelate-Stabilized Tungsten‒Imido‒Monoalkyl Complex, [WCl(PhN)(CH~2~CMe~3~){<i>o</i>-C~6~H~4~(NSiMe~3~)~2~}]","Acta Crystallographica Section C","1997","53","4","436","438","10.1107/S0108270196014370","","","0.71073","MoKα","","0.0376","0.034","","0.091","0.085","","","","1.08","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006032","12.0128","0.001","12.0128","0.001","35.16","0.003","90","","90","","120","","4394.1","0.6","163","2","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","EthanaminiumN,N,N-triethyl Bromide","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","BK1293","Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.","Low-Temperature Phase of Tetraethylammonium Bromide","Acta Crystallographica Section C","1997","53","4","488","490","10.1107/S0108270196015399","","","0.71073","MoKα","","0.054","0.026","","0.071","0.061","","","","1.06","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006033","12.995","0.001","12.995","","7.143","0.001","90","","90","","90","","1206.24","0.19","170","","170","","","","","","","","","5","I -4","I -4","82","","","","- C24 H21 P S4 W -","- C24 H24 P S4 W -","- C48 H48 P2 S8 W2 -","2","0.25","BK1296","Parvez, M.; Boorman, P. M.; Wang, M.","Tetraphenylphosphonium (Hydrogensulfido-<i>S</i>)trisulfidotungstate(VI)","Acta Crystallographica Section C","1997","53","4","413","414","10.1107/S0108270196015405","","","0.71069","MoKα","","","0.024","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006034","14.0082","0.0008","10.803","0.001","14.581","0.001","90","","116.625","0.008","90","","1972.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1-methyl-3-(2-propenyl)-2(3H)-imidazolethione]dichlorozinc(II)","","- C14 H20 Cl2 N4 S2 Zn -","- C14 H20 Cl2 N4 S2 Zn -","- C56 H80 Cl8 N16 S8 Zn4 -","4","1","BK1301","Williams, D. J.; Ly, T. A.; Mudge, J. W.; Pennington, W. T.; Schimek, G. L.","Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3<i>H</i>)-thione-<i>S</i>]zinc(II)","Acta Crystallographica Section C","1997","53","4","415","416","10.1107/S0108270196013984","","","0.71073","MoKα","","0.0626","0.043","","0.0431","0.044","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006035","10.3344","0.0007","10.8162","0.0007","11.362","0.0007","90","","108.73","0.006","90","","1202.77","0.14","296","","296","","","","","","","","","4","P 1 21 1","","","","3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate","","- C24 H45 N O6 -","- C24 H45 N O6 -","- C48 H90 N2 O12 -","2","1","BK1304","Wahle, M. C.; Fanwick, P. E.; Byrn, S. R.","Cholamide Dihydrate","Acta Crystallographica Section C","1997","53","4","480","482","10.1107/S0108270196014382","","","1.54184","CuKα","","0.054","0.042","","0.13","0.114","","","","1.062","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006036","20.52","0.004","10.835","0.002","12.333","0.002","90","","123.73","0.03","90","","2280.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis(4-methylpiperidine)(4-methylpyridine)nickel(II)","","- C18 H33 Cl2 N3 Ni -","- C18 H33 Cl2 N3 Ni -","- C72 H132 Cl8 N12 Ni4 -","4","0.5","BM1072","Koman, M.; Jóna, E.; Kopál, I.","Structural Investigation of Ni^II^ Complexes. XI. Dichlorobis(4-methylpiperidine-<i>N</i>)(4-methylpyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1997","53","4","443","445","10.1107/S010827019601284X","","","0.71073","MoKα","","0.0389","0.0373","","0.1022","0.0916","","","","1.106","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006037","8.814","0.006","9.992","0.009","19.774","0.018","90","","91.6","0.07","90","","1741","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0635","0.0489","","0.0711","0.0653","","","","1.09","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006038","14.119","0.005","11.617","0.004","41.81","0.03","90","","90","","90","","6858","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C288 H224 Cl64 -","16","2","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0849","0.0464","","0.0421","0.0361","","","","1.06","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006039","8.432","0.002","9.586","0.002","11.187","0.002","87.19","0.02","85.51","0.02","78.87","0.02","884","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Meso-1,1'-diphenyl-2,2,2',2'-tetrabromobicyclopropyl","","- C18 H14 Br4 -","- C18 H14 Br4 -","- C36 H28 Br8 -","2","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0581","0.0421","","0.0645","0.0547","","","","0.92","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006040","7.4918","0.0007","11.3118","0.0013","24.245","0.003","90","","90","","90","","2054.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,6R,7R,7aR)-Menthyl 1,6,7,7a-tetrahydro-3,3-dimethyl-1-oxo-3a,6- epoxyisobenzofuran-7-carboxylate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0504","0.0367","","0.0875","0.0821","","","","1.016","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006041","7.73","0.001","9.4267","0.001","9.9854","0.001","79.235","0.008","88.902","0.01","75.125","0.009","690.54","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(3S,3aS,6R,7R,7aR)-Menthyl-1,6,7,7a-tetrahydro-3-(1,1-dimethylethyl)-1-oxo- 3H-3a,6-epoxyisobenzofuran-7-carboxylate","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0478","0.0402","","0.1175","0.113","","","","1.055","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006042","12.928","0.005","5.546","0.005","16.445","0.005","90","","92.392","0.005","90","","1178.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Methylamino-5-chlorobenzophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BM1125","Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.","2-Methylamino-5-chlorobenzophenone","Acta Crystallographica Section C","1997","53","4","476","477","10.1107/S0108270196014928","","","0.71069","MoKα","","0.0569","0.033","","0.0708","0.064","","","","0.736","0.881","0.881","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006043","12.533","0.003","7.262","0.001","11.259","0.003","90","","111.3","0.02","90","","954.7","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge12 O36 Sr12 -","12","1.5","BR1159","Nishi, F.","Strontium Metagermanate, SrGeO~3~","Acta Crystallographica Section C","1997","53","4","399","401","10.1107/S0108270196013960","","","0.71073","MoKα","","","0.048","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006044","7.238","0.001","22.149","0.003","11.244","0.001","90","","90","","90","","1802.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-bisaquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)manganese(II) monohydrate","","- C10 H8 F12 Mn O7 -","- C10 H8 F12 Mn O7 -","- C40 H32 F48 Mn4 O28 -","4","0.5","BS1010","Dickman, M. H.","<i>trans</i>-Diaquabis(hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')manganese(II) Monohydrate","Acta Crystallographica Section C","1997","53","4","402","404","10.1107/S010827019601459X","","","0.71073","MoKα","","0.0707","0.0455","","0.1165","0.104","","","","1.075","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006045","12.815","0.009","14.798","0.012","15.584","0.014","82.648","0.01","77.869","0.01","67.661","0.01","2669","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25,27-bis((diethylthiocarbamoyl)- methoxy)-26,28-dihydroxycalix[4]arene","","- C56 H78 N2 O4 S2 -","- C56 H76 N2 O4 S2 -","- C112 H152 N4 O8 S4 -","2","1","CF1144","Drew, M. G. B.; Beer, P. D.; Ogden, M. I.","A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions","Acta Crystallographica Section C","1997","53","4","472","474","10.1107/S0108270196015521","","","0.71073","MoKα","","0.1193","0.0831","","0.2928","0.244","","","","0.615","0.602","0.602","","","","","has coordinates,has disorder","201201","2020-10-21","18:00:00",""
"2006046","10.613","0.002","15.402","0.003","12.928","0.004","90","","93.35","0.03","90","","2109.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 O8 -","- C18 H26 Cu N4 O8 -","- C72 H104 Cu4 N16 O32 -","4","0.5","DE1043","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. II. <i>catena</i>-Poly[bis(imidazole-<i>N</i>^3^)copper(II)-di-μ-adipato(1 ‒)-<i>O</i>^1^:<i>O</i>^6^;<i>O</i>^6^:<i>O</i>^1^]","Acta Crystallographica Section C","1997","53","4","422","425","10.1107/S0108270196014138","","","0.7107","MoKα","","0.0354","0.0291","","0.0768","0.0747","","","","1.081","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006047","13.613","0.001","21.448","0.003","9.1157","0.0008","90","","103.561","0.007","90","","2587.3","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,4-(3H,10H)-dioxo-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinolin-3-yl]- benzoic acid","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C116 H108 N12 O20 -","4","1","DE1045","Kawai, Y.; Kunitomo, J.; Ohno, A.","A Novel Function of an Atropisomeric Flavin Model as a Host Compound","Acta Crystallographica Section C","1997","53","4","513","515","10.1107/S0108270197000255","","","1.5418","CuKα","","0.0516","0.0414","","0.0817","0.0682","","","","1.389","1.786","1.786","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006048","10.825","0.003","10.825","0.003","10.184","0.006","90","","90","","90","","1193.4","0.8","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Cerium Sodium Diarsenate","","- As4 Ce Na4 O14 -","- As4 Ce Na4 O14 -","- As16 Ce4 Na16 O56 -","4","0.25","DU1161","Belam, W.; Boughzala, H.; Jouini, T.","Na~4~Ce(As~2~O~7~)~2~","Acta Crystallographica Section C","1997","53","4","397","399","10.1107/S0108270196007226","","","0.71069","MoKα","","0.0398","0.0262","","0.0579","0.0548","","","","1.277","1.362","1.362","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006049","8.61","0.003","16.01","0.005","12.878","0.003","90","","104.45","0.01","90","","1719","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(propan-1,3-diammonium) diphosphate tetrahydrate","","- C6 H32 N4 O11 P2 -","- C6 H32 N4 O11 P2 -","- C24 H128 N16 O44 P8 -","4","0.5","DU1165","Charfi, M.; Jouini, A.","Bis(propane-1,3-diammonium) Diphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","4","463","465","10.1107/S0108270196012127","","","1.5418","CuKα","","0.0424","0.0424","","0.1113","0.1113","","","","1.189","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006050","8.058","0.001","14.546","0.003","12.247","0.002","90","","95.57","0.01","90","","1428.7","0.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(3-(η^5^-cyclopentadienylamido)propionic acid)(tricarbonyl)rhenium","","- C12 H10 N O6 Re -","- C12 H10 N O6 Re -","- C48 H40 N4 O24 Re4 -","4","1","DU1167","Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G.","Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium","Acta Crystallographica Section C","1997","53","4","447","449","10.1107/S0108270196014643","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006051","10.154","0.002","8.968","0.002","6.749","0.002","90","","104","0.2","90","","596.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pGlu-Pro-NH~2~","(author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide","","- C10 H17 N3 O4 -","- C10 H17 N3 O4 -","- C20 H34 N6 O8 -","2","1","DU1169","Wouters, J.; Norberg, B.; Evrard, G.","The Dipeptide pGlu‒Pro-NH~2~","Acta Crystallographica Section C","1997","53","4","477","480","10.1107/S0108270196014655","","","1.54178","CuKα","","0.0266","0.0256","","0.0764","0.0749","","","","1.084","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006052","13.576","0.004","17.947","0.003","12.262","0.003","105.11","0.02","114.19","0.02","83.55","0.02","2631","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[(μ-Acetato)(μ-oxo)(bis(tris-(2-pyridylmethyl)amine)diiron(III)](triflate) dihydrate","","- C41 H43 F9 Fe2 N8 O14 S3 -","- C40 H39 F6 Fe2 N8 O9 S2 -","- C80 H78 F12 Fe4 N16 O18 S4 -","2","1","FG1185","Norman, R. E.; Peterson, N. L.; Chang, S.-C.","μ-Acetato-<i>O</i>:<i>O</i>'-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']iron(III)} Tris(trifluoromethanesulfonate) Dihydrate","Acta Crystallographica Section C","1997","53","4","452","453","10.1107/S0108270196015016","","","0.71069","MoKα","","0.1098","0.0545","","0.1653","0.1445","","","","1.048","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006053","8.814","0.002","9.742","0.002","16.516","0.003","90","","99.65","0.03","90","","1398.1","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate","","- C24 H20 B2 Cu F8 N12 -","- C24 H20 B2 Cu F8 N12 -","- C48 H40 B4 Cu2 F16 N24 -","2","0.5","FG1212","Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-<i>N</i>^1^,<i>N</i>']copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","4","434","436","10.1107/S0108270196015028","","","0.71073","MoKα","","0.0895","0.0578","","0.169","0.1467","","","","1.043","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006054","9.988","0.002","15.154","0.005","23.193","0.007","90","","90.31","0.02","90","","3510.4","1.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mer,trans-(acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","(OC-6-13)-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","","- C38 H33 Cl3 N P2 Re -","- C38 H33 Cl3 N P2 Re -","- C152 H132 Cl12 N4 P8 Re4 -","4","1","FG1219","Davis, M.; Bélanger-Gariépy, F.; Zargarian, D.; Beauchamp, A. L.","Reinvestigation of <i>mer</i>,<i>trans</i>-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","Acta Crystallographica Section C","1997","53","4","428","430","10.1107/S0108270196014680","","","1.5418","CuKα","","0.0588","0.0367","","0.0839","0.0791","","","","0.865","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006055","11.48","0.002","15.846","0.003","15.14","0.003","90","","91.5","0.03","90","","2753.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Me~4~N)[Hg(SCOPh)~3~]","Tetramethylammonium Tris(thiobenzoato)mercury(II)","","- C25 H27 Hg N O3 S3 -","- C25 H27 Hg N O3 S3 -","- C100 H108 Hg4 N4 O12 S12 -","4","1","FG1233","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)mercury(II)","Acta Crystallographica Section C","1997","53","4","409","410","10.1107/S0108270196014692","","","0.71073","MoKα","","0.0922","0.0485","","0.1222","0.1037","","","","1.037","1.124","1.124","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006056","10.4082","0.0017","19.453","0.004","7.3882","0.0019","90","","90","","90","","1495.9","0.5","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SR,1R,2S)-1-(t-Butylsulfinyl)-2-(hydroxymethyl)ferrocene","","- C15 H20 Fe O2 S -","- C15 H20 Fe O2 S -","- C60 H80 Fe4 O8 S4 -","4","1","FG1237","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y.","(S<i>R</i>,1<i>R</i>,2<i>S</i>)-1-(<i>tert</i>-Butylsulfinyl)2-(hydroxymethyl)ferrocene","Acta Crystallographica Section C","1997","53","4","445","447","10.1107/S0108270196014916","","","0.71069","MoKα","","","0.039","","","0.036","","","","","1.17","1.17","","","","","has coordinates","191858","2020-10-21","18:00:00",""
"2006057","6.906","0.004","12.009","0.007","14.643","0.008","90","","95.88","0.04","90","","1208","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-phenylenebis(diphenylphosphine oxide)","","- C30 H24 O2 P2 -","- C30 H24 O2 P2 -","- C60 H48 O4 P4 -","2","0.5","FG1247","Alexander, N. C.; Robinson, B. H.; Simpson, J.","1,4-Phenylenebis(diphenylphosphine oxide)","Acta Crystallographica Section C","1997","53","4","465","467","10.1107/S0108270196014709","","","0.71073","MoKα","","0.0947","0.0516","","0.0451","0.0405","","","","","1.3996","1.3996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006058","9.324","0.003","17.688","0.004","17.81","0.006","90","","95.77","0.03","90","","2922.4","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)]","","- C60 H34 Co6 O16 P2 -","- C60 H34 Co6 O16 P2 -","- C120 H68 Co12 O32 P4 -","2","0.5","FG1249","Alexander, N. C.; Robinson, B. H.; Simpson, J.","μ-1,4-Bis(diphenylphosphino)phenylene-<i>P</i>:<i>P</i>'-bis[μ~3~-benzylidyne-octacarbonyl-<i>triangulo</i>-tricobalt(3 <i>Co</i>—<i>Co</i>)]","Acta Crystallographica Section C","1997","53","4","425","428","10.1107/S010827019601503X","","","0.71073","MoKα","","","0.0487","","","0.0434","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006059","10.1662","0.0016","12.404","0.003","9.0923","0.0014","100.677","0.015","102.334","0.012","111.728","0.014","995.4","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-4-(9'-fluorenoxy)-1(2H)-phthalazinone","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C54 H36 N4 O4 -","2","1","FG1251","Bausch, M. J.; Robinson, P. D.; Gong, Y.","4-(9-Fluorenoxy)-2-phenylphthalazin-1(2<i>H</i>)-one","Acta Crystallographica Section C","1997","53","4","517","519","10.1107/S0108270196015156","","","0.71069","MoKα","","0.0898","0.035","","0.1097","0.0863","","","","1.022","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006060","19.67","0.006","15.904","0.003","9.485","0.006","90","","90","","90","","2967","2","295","1","295","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","1","FG1252","Parvez, M.","Antazoline","Acta Crystallographica Section C","1997","53","4","506","508","10.1107/S0108270196015934","","","0.71069","MoKα","","0.198","0.0493","","0.2972","0.1289","","","","1.012","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006061","7.3045","0.0002","9.8633","0.0003","10.7436","0.0004","90","","98.608","0.001","90","","765.32","0.04","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitroacetophenone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1182","Bolte, M.; Scholtyssik, M.","<i>meta</i>-Nitroacetophenone at 173K","Acta Crystallographica Section C","1997","53","4","474","476","10.1107/S0108270196015545","","","0.71073","MoKα","","0.0406","0.0354","","0.1027","0.0998","","","","1.044","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006062","13.853","0.001","10.988","0.002","16.678","0.002","90","","98.703","0.007","90","","2509.4","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{S-(1-lithio-2,2-diphenylethenyl)-N-methyl-S-phenylsulfoximine- tetrahydrofuran} tetrahydrofuran solvate","","- C54 H60 Li2 N2 O5 S2 -","- C54 H60 Li2 N2 O5 S2 -","- C108 H120 Li4 N4 O10 S4 -","2","0.5","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0623","","","0.0702","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006063","6.0861","0.0004","11.9803","0.0007","12.4121","0.0007","97.17","0.004","90.662","0.005","99.241","0.005","885.82","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","2,2-Diphenylethenyl-N-methyl-S-phenylsulfoximine","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0394","","","0.0473","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006064","17.582","0.012","9.451","0.008","24.558","0.017","90","","98.88","0.08","90","","4032","5","150","0.2","150","0.2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 F12 N4 Ni P2 S2 -","- C8 H24 F12 N4 Ni P2 S2 -","- C64 H192 F96 N32 Ni8 P16 S16 -","8","1","JZ1164","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","4","411","413","10.1107/S0108270196013297","","","0.71073","MoKα","","0.0907","0.0647","","0.302","0.2062","","","","1.044","0.856","0.856","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006065","9.0191","0.0009","10.715","0.002","15.374","0.002","90","","94.382","0.01","90","","1481.4","0.4","293","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Diphenylphosphinoyl-1,3-dioxane ?","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","1","KA1181","Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P.","2-(Diphenylphosphinoyl)-1,3-dioxane","Acta Crystallographica Section C","1997","53","4","467","469","10.1107/S0108270196005604","","","1.54178","CuKα","","0.0859","0.0564","","0.156","0.1362","","","","1.067","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006066","9.363","0.001","9.363","0.001","11.015","0.002","90","","90","","120","","836.3","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide.","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C27 H39 N9 O9 -","3","1","KA1194","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.","Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate","Acta Crystallographica Section C","1997","53","4","490","491","10.1107/S0108270196013583","","","0.71073","MoKα","","","0.036","","","0.046","","","","","1.734","1.734","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006067","8.192","0.003","19.278","0.005","16.952","0.002","90","","100.2","0.2","90","","2635","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F3 N3 O3 -","- C12 H12 F3 N3 O3 -","- C96 H96 F24 N24 O24 -","8","2","KA1209","Yanes, C.; Torres, M.; López-Rodríguez, M.; Núñez, P.; Brito, I.","<i>N</i>-(5-Nitro-2-pyrrolidinylphenyl)trifluoroacetamide","Acta Crystallographica Section C","1997","53","4","492","493","10.1107/S0108270196014679","","","1.54055","CuKα","","","0.0446","","","0.137","","","","","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006068","11.72","0.01","9.57","0.01","10.69","0.01","100.42","0.1","110.81","0.1","103.55","0.1","1043","2","288","","288","","","","","","","","","6","P -1","-P 1","2","","(2,2'-bipyridyl)-sesqui(trifluoroacetato-mercury(II))","","- C16 H8 F9 Hg1.5 N2 O6 -","- C16 H8 F9 Hg1.5 N2 O6 -","- C32 H16 F18 Hg3 N4 O12 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.046","","","0.05","","","","","2.375","2.375","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006069","12.78","0.01","16.06","0.02","10.58","0.01","86.46","0.09","90.18","0.09","80.29","0.08","2136","4","288","","288","","","","","","","","","6","P -1","-P 1","2","","tris(2,2'-bipyridyl)-bis(trifluoroacetato_mercury(II))","","- C38 H24 F12 Hg2 N6 O8 -","- C38 H24 F12 Hg2 N6 O8 -","- C76 H48 F24 Hg4 N12 O16 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.049","","","0.053","","","","","2.227","2.227","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006070","16.54","0.02","11.06","0.01","7.59","0.01","98.6","1","87.7","0.9","67.2","0.7","1258","9","288","","288","","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)","","- C24 H16 F6 Hg N4 O4 -","- C24 H16 F6 Hg N4 O4 -","- C48 H32 F12 Hg2 N8 O8 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.052","","","0.057","","","","","2.267","2.267","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006071","16.848","0.002","6.261","0.001","17.034","0.001","90","","132.49","0.03","90","","1325","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium trans-Bis(methyliminodiacetato)chromate(III)","","- C10 H14 Cr N2 Na O8 -","- C10 H14 Cr N2 Na O8 -","- C40 H56 Cr4 N8 Na4 O32 -","4","0.5","MU1280","Suh, J.-S.; Park, S.-J.; Lee, K.-W.; Suh, I.-H.; Lee, J.-H.; Song, J.-H.; Oh, M.-R.","Sodium <i>trans</i>-Bis(methyliminodiacetato-<i>O</i>,<i>N</i>,<i>O</i>)chromate(III), Na[Cr(C~5~H~7~NO~4~)~2~]","Acta Crystallographica Section C","1997","53","4","432","434","10.1107/S0108270196013327","","","0.71069","MoKα","","0.0318","0.0284","","0.0797","0.0741","","","","0.168","0.166","0.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006072","10.268","0.001","13.845","0.002","11.742","0.002","90","","101.73","0.01","90","","1634.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","toluenesulfonamide 2(-)-limonene","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","NA1220","","(±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide","Acta Crystallographica C","1997","53","","519","521","10.1107/S0108270196013777","","","1.54178","CuKα","","0.055","0.0484","","0.1401","0.133","","","","1.059","1.076","1.076","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006073","9.484","0.005","10.949","0.007","35.744","0.02","90","0","93.87","0.04","90","0","3703","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 As Cl3 N3 O6 S Tc -","- C34 H31 As Cl9 N3 O6 S Tc -","- C136 H124 As4 Cl36 N12 O24 S4 Tc4 -","4","1","NA1260","Blaton, N. M.; Bormans, G.; Peeters, O. M.; Verbruggen, A.","Epimer B of Tetraphenylarsonium (Mercaptoacetylalanylglycylglycinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>)oxotechnetate(V) (^99^Tc) Chloroform Solvate","Acta Crystallographica Section C","1997","53","4","449","451","10.1107/S0108270196014874","","","0.71073","MoKα","","0.1437","0.0489","","0.1935","0.1317","","","","1.006","1.053","1.053","","","","","has coordinates","211412","2020-10-21","18:00:00",""
"2006074","10.152","0.003","9.407","0.003","19.448","0.008","90","","90.12","0.03","90","","1857.3","1.1","293","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxymethyl)methylammonium (2,6-dichlorophenyl)amino-phenylacetate (HTRIS.D)","","- C18 H22 Cl2 N2 O5 -","- C18 H22 Cl2 N2 O5 -","- C72 H88 Cl8 N8 O20 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.1153","0.0403","","0.0866","0.067","","","","0.996","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006075","8.8435","0.001","8.7911","0.001","7.7906","0.001","90","","90","","90","","605.67","0.12","293","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","TRIS","Tris(2-hydroxymethyl)aminomethane","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C16 H44 N4 O12 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.0352","0.032","","0.0883","0.0837","","","","1.042","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006076","7.17","0.001","30.766","0.001","16.91","0.001","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","isotretinoin","13-cis-retinoic acid","","- C20 H28 O2 -","- C20 H27.8 O2 -","- C160 H222.4 O16 -","8","","NA1267","Malpezzi, L.; Fuganti, C.; Grasselli, P.","Disorder in 13-<i>cis</i>-Retinoic Acid","Acta Crystallographica Section C","1997","53","4","508","511","10.1107/S0108270196014588","","","1.54178","CuKα","","0.0555","0.0449","","0.133","0.1216","","","","1.043","1.072","1.072","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006077","8.766","0.002","10.759","0.002","13.158","0.002","105.084","0.011","104.568","0.012","97.278","0.01","1134.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-aza-tricyclo-[5.2.1.0^2,6^]dec-8- en-4-yl-butyracid","","- C20 H17 Cl6 N O4 -","- C20 H17 Cl6 N O4 -","- C40 H34 Cl12 N2 O8 -","2","1","NA1268","Bartkowska, B.; Bohnen, F. M.; Krüger, C.; Maier, W. F.","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)butyric Acid Toluene Solvate","Acta Crystallographica Section C","1997","53","4","521","522","10.1107/S0108270196015569","","","0.71069","MoKα","","0.0359","0.0337","","0.1104","0.109","","","","1.134","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006078","3.9851","0.0005","16.547","0.003","11.841","0.002","90","","93.2","0.01","90","","779.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dibromo-5-hydroxybenzaldehyde","","- C7 H4 Br2 O2 -","- C7 H4 Br2 O2 -","- C28 H16 Br8 O8 -","4","1","NA1276","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d Rocha Gonsalves, A. M.; Pereira, M. M.; Serra, A. C.","2,4-Dibromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","1997","53","4","494","496","10.1107/S0108270196015296","","","0.71073","MoKα","","0.1112","0.0279","","0.0681","0.0507","","","","1.013","1.018","1.018","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006079","12.268","0.002","7.52","0.002","12.338","0.002","90","","91.86","0.01","90","","1137.6","0.4","295","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Br2 N -","- C10 H11 Br2 N -","- C40 H44 Br8 N4 -","4","1","OA1016","Banwell, M. G.; Hockless, D. C. R.; Wu, A. W.","(<i>E</i>)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile","Acta Crystallographica Section C","1997","53","4","504","506","10.1107/S0108270196014886","","","1.5418","CuKα","","0.1363","0.0774","","0.0605","0.0563","","","","1.743","2.107","2.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006080","11.232","0.004","9.175","0.003","10.444","0.004","90","0","107.09","0.03","90","0","1028.8","0.7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","0.5","OH1103","Kanno, H.; Iijima, K.","4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide","Acta Crystallographica Section C","1997","53","4","498","499","10.1107/S010827019601548X","","","0.71073","MoKα","","","0.0572","","","0.0585","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006081","8.468","0.002","9.778","0.003","15.193","0.001","90","","90","","90","","1258","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-hydroxy-2-méthylpyrrolidin-2-yl] phosphonate de diéthyle","","- C9 H20 N O4 P -","- C9 H20 N O4 P -","- C36 H80 N4 O16 P4 -","4","1","PA1234","Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P.","(<i>N</i>-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle","Acta Crystallographica Section C","1997","53","4","461","463","10.1107/S0108270196014448","","","0.71069","MoKα","","0.033","0.033","","0.032","0.032","","","","0.21","0.21","0.21","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006082","6.6446","0.0005","9.4721","0.0008","35.046","0.002","90","","90","","90","","2205.7","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)","","- C18 H32 O7 S Si -","- C18 H32 O7 S Si -","- C72 H128 O28 S4 Si4 -","4","1","PA1244","Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.","Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar","Acta Crystallographica Section C","1997","53","4","511","513","10.1107/S010827019601445X","","","1.54184","CuKα","","0.068","0.059","","0.048","0.041","","","","3.432","3.101","3.101","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006083","32.156","0.013","7.114","0.002","12.118","0.006","90","","101.47","0.06","90","","2717","2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","(3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C112 H132 N4 O28 -","4","1","PA1245","Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.","(3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone","Acta Crystallographica Section C","1997","53","4","457","459","10.1107/S0108270196014461","","","1.5418","CuKα","","","0.054","","","0.072","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006084","7.473","0.002","13.971","0.006","21.769","0.011","90","","90","","90","","2272.8","1.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","méthyl (2R,5S)-1-N-benzyl-5-méthoxycarbonylprolyl-(2S)-phénylalaninate","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","PA1246","Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P.","Méthyl <i>N</i>-[(2<i>R</i>,5<i>S</i>)-1-<i>N</i>-Benzyl-5-méthoxycarbonylprolyl]-(<i>S</i>)-phénylalaninate","Acta Crystallographica Section C","1997","53","4","459","461","10.1107/S0108270196014606","","","1.5418","CuKα","","","0.075","","","0.107","","","","","1.09","1.09","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006085","5.131","0.005","13.261","0.008","12.718","0.005","90","","94.95","0.08","90","","862.1","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.0952","0.0423","","0.0927","0.0809","","","","0.723","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006086","18.53","0.008","13.443","0.01","17.737","0.008","90","","90","","90","","4418","4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C224 H192 N16 O16 -","8","2","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.1121","0.0394","","0.0854","0.0674","","","","0.546","0.796","0.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006087","17.491","0.004","14.236","0.003","18.656","0.004","90","","100.24","0.02","90","","4571.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)","","- C42 H69 O6 P3 Re2 -","- C42 H69 O6 P3 Re2 -","- C168 H276 O24 P12 Re8 -","4","0.5","SK1060","Flörke, U.; Haupt, H.-J.","μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]","Acta Crystallographica Section C","1997","53","4","404","406","10.1107/S0108270196014291","","","0.71073","MoKα","","0.0784","0.0424","","0.0635","0.0575","","","","0.944","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006088","19.818","0.004","6.676","0.002","20.035","0.004","90","","109.044","0.011","90","","2505.7","1","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2'-Dimethylaminoethyl)-2-hydroxy-5-nitrobenzylamine","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","1","AB1425","Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee","2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate","Acta Crystallographica Section C","1997","53","5","640","641","10.1107/S0108270196015491","","","0.71073","MoKα","","","0.065","","","0.069","","","","","1.28","1.28","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006089","10.4657","0.0006","10.8221","0.0005","11.416","0.0005","76.542","0.004","65.033","0.004","73.103","0.004","1112.49","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","Bis(2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioate)bis(pyridine)dirhodium(II)","","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","1","0.5","AB1452","Gallagher, John F.; Ferguson, George; McAlees, Alan J.","Bis(μ-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-<i>O</i>^1^,<i>O</i>^11^:<i>O</i>^1'^,<i>O</i>^11'^)bis(pyridine-<i>N</i>)dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section C","1997","53","5","576","579","10.1107/S010827019700142X","","","0.7107","MolybdenumKα","","0.027","0.0195","","0.0462","0.0447","","","","1.028","1.07","1.07","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006090","11.2525","0.0011","7.095","0.0012","18.612","0.002","90","","90","","90","","1485.9","0.3","294","1","294","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-Diazabicyclo[2.2.2]octane‒1,3,5-benzenetricarboxylic acid (1/1). .","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","0.5","AB1456","Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J.","Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid","Acta Crystallographica Section C","1997","53","5","628","631","10.1107/S0108270197001200","","","0.7107","MolybdenumKα","","0.0912","0.0489","","0.1531","0.1407","","","","1.06","1.288","1.288","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006091","10.358","0.002","13.627","0.003","13.872","0.003","90.16","0.01","98.47","0.01","103.23","0.01","1883.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Sodium (μ-hydroxo)-bis(1,10-phenanthroline-N,N')- bis(thiosulfate-S)-di-Zinc(II), 4.35 hydrate, 0.85 methanol solvate","","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C57.7 H74.2 N8 Na2 O24.4 S8 Zn4 -","2","1","BK1290","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate","Acta Crystallographica Section C","1997","53","5","551","554","10.1107/S0108270196015375","","","0.71073","MoKα","","0.064","0.039","","0.112","0.095","","","","0.96","0.975","0.975","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006092","21.329","0.005","9.268","0.005","8.262","0.005","90","0.005","106.16","0.005","90","0.005","1568.7","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1S,2R,3S,4R)-3-Benzamido-3-methoxycarbonylbicyclo[2.2.1]heptane-2- carboxylic acid.","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","BM1118","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II","Acta Crystallographica Section C","1997","53","5","626","628","10.1107/S0108270196015727","","","0.71073","MoKα","","0.0862","0.0688","","0.2488","0.1894","","","","1.117","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006093","9.8797","0.0007","12.2119","0.0008","7.6464","0.0006","90","","104.394","0.006","90","","893.58","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Trisodium trimetaphosphimate monohydrate","Trisodium-tri-μ-imido-cyclotriphosphate monohydrate","","- H5 N3 Na3 O7 P3 -","- H5 N3 Na3 O7 P3 -","- H20 N12 Na12 O28 P12 -","4","1","BM1119","Stock, Norbert; Schnick, Wolfgang","Trisodium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1997","53","5","532","534","10.1107/S010827019601520X","","","0.71073","MoKα","","0.0435","0.0311","","0.0663","0.0619","","","","1.031","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006094","12.761","0.002","12.1276","0.0013","7.9969","0.0009","90","","102.907","0.01","90","","1206.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-9-(Carboxymethyl)-2,6-diazidopurine methyl ester","","- C8 H6 N10 O2 -","- C8 H6 N10 O2 -","- C32 H24 N40 O8 -","4","1","BM1122","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diazido-9-(carboxymethyl)purine Methyl Ester","Acta Crystallographica Section C","1997","53","5","608","610","10.1107/S0108270196015764","","","1.54178","CuKα","","0.0916","0.0629","","0.1961","0.1646","","","","1.036","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006095","20.86","0.004","9.09","0.002","17.202","0.003","90","","92.23","0.03","90","","3259.3","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(1,1-bis(dimethylphosphonate)-1-hydroxyethane) praseodymium trinitrate","Bis(1,1-bis(dimethylphosphonato)-1-hydroxyethane) praseodymium (III) nitrate","","- C12 H32 N3 O23 P4 Pr -","- C12 H32 N2.5 O22.5 P4 Pr0.5 -","- C48 H128 N10 O90 P16 Pr2 -","4","0.5","BM1127","Lees, Anthony M. J.; Platt, Andrew W. G.; Kresinski, Roman A.","Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-<i>O</i>)]tris(nitrato-<i>O</i>,<i>O</i>')praseodymium","Acta Crystallographica Section C","1997","53","5","581","583","10.1107/S0108270197000437","","","0.71069","MoKα","","0.0359","0.0348","","0.0881","0.0868","","","","0.825","0.836","0.836","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006096","7.761","0.001","11.513","0.003","5.5234","0.0009","90","","90","","90","","493.53","0.16","293","","","","","","","","","","","3","C m m a","-C 2a 2","67","","","","- Ba F6 Tb -","- Ba F6 Tb -","- Ba4 F24 Tb4 -","4","0.25","BR1157","Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel","β-BaTbF~6~","Acta Crystallographica Section C","1997","53","5","530","532","10.1107/S0108270196014527","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.615","1.615","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006097","13.843","0.002","10.683","0.002","8.155","0.002","90","","99.13","0.02","90","","1190.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[N-(4-bromophenyl)salicylaldimine]copper(II)","","- C26 H18 Br2 Cu N2 O2 -","- C26 H18 Br2 Cu N2 O2 -","- C52 H36 Br4 Cu2 N4 O4 -","2","0.5","CF1096","Elerman, Yalçin; Geselle, Marcus","Bis[<i>N</i>-(4-bromophenyl)salicylaldimine]copper(II)","Acta Crystallographica Section C","1997","53","5","549","551","10.1107/S010827019601387X","","","0.71073","MoKα","","","0.0434","","","0.1208","","","","","1.117","1.117","","","","","has coordinates,has Fobs","191978","2020-10-21","18:00:00",""
"2006098","14.224","0.002","8.882","0.002","22.885","0.005","90","","101.47","0.01","90","","2833.5","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O12 Pb -","- C26 H28 N2 O12 Pb -","- C104 H112 N8 O48 Pb4 -","4","1","CF1121","Lin, Ching-Shan; Liu, Lilian Kao; Ueng, Chuen-Her","(Benzyl <i>sym</i>-dibenzo-16-crown-5 ether)lead(II) Dinitrate","Acta Crystallographica Section C","1997","53","5","574","576","10.1107/S0108270196015739","","","0.7107","MoKα","","","0.035","","","0.026","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006099","3.725","0.001","4.773","0.001","4.936","0.001","107.03","0.02","107.23","0.02","101.57","0.02","76.08","0.04","293","","293","","","","","","","","","3","P 1","P 1","1","tetrazole","α-1H-1,2,3,4-tetrazole","","- C H2 N4 -","- C H2 N4 -","- C H2 N4 -","1","1","CF1151","Goddard, Richard; Heinemann, Oliver; Krüger, Carl","α-1<i>H</i>-1,2,3,4-Tetrazole","Acta Crystallographica Section C","1997","53","5","590","592","10.1107/S0108270197000772","","","0.71069","MoKα","","0.0436","0.042","","0.101","0.099","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006100","18.52","0.002","5.7602","0.0007","16.788","0.002","90","","114.78","0.02","90","","1626","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-propionamido-β-alaninatocopper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","0.5","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0542","0.0339","","0.1054","0.0882","","","","0.756","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006101","18.357","0.003","5.7887","0.0004","17.728","0.003","90","","119.52","0.02","90","","1639.3","0.5","300","2","300","2","","","","","","","","5","C 1 2 1","C 2y","5","","bis(N-propionamido-α-alaninato)copper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0395","0.0338","","0.0776","0.073","","","","1.113","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006102","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1006","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","","539","543","","","","","","","","0.0292","","","0.0516","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006103","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.7","0.2","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","","","","","0.0478","","","0.1148","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006104","12.03","0.001","19.854","0.002","17.091","0.002","90","","97.21","0.01","90","","4049.8","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","chloro(tri-n-butylphosphine)cobaloxime","trans-chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)","","- C40 H49 Cl Co N4 O4 P -","- C40 H22 Cl Co N4 O4 P -","- C160 H88 Cl4 Co4 N16 O16 P4 -","4","1","FG1214","Barton, Richard J.; Major, Quinn; Mihichuk, Lynn M.; Robertson, Beverly E.; Seip, Candace","<i>trans</i>-Chlorobis(diphenylglyoximato)(tri-<i>n</i>-butylphosphine)cobalt(III)","Acta Crystallographica Section C","1997","53","5","568","570","10.1107/S010827019601565X","","","0.713543","MoKα","","0.101","0.085","","0.044","0.043","","","","1.322","1.352","1.352","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2006105","11.115","0.002","15.077","0.003","17.182","0.003","65.191","0.012","87.299","0.01","79.709","0.012","2570.3","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","meso-dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","2","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.1511","0.0531","","0.1106","0.0876","","","","0.788","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006106","13.941","0.002","17.694","0.002","10.4379","0.0014","90","","93.089","0.01","90","","2571","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","chiral dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","1","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.078","0.0457","","0.1144","0.1034","","","","0.92","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006107","11.872","0.002","8.477","0.002","34.557","0.005","90","","93.36","0.006","90","","3471.8","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au B9 Cl5 P2 -","- C27 H31 Au B9 Cl5 P2 -","- C108 H124 Au4 B36 Cl20 P8 -","4","1","FG1231","Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio","<i>cis</i>-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-<i>P</i>,<i>P</i>']dichlorogold(III) Chloroform Solvate","Acta Crystallographica Section C","1997","53","5","570","572","10.1107/S0108270197002059","","","0.71073","MoKα","","0.0834","0.0412","","0.07","0.0624","","","","0.82","0.942","0.942","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006108","9.142","0.004","9.687","0.004","10.449","0.005","113.07","0.03","94.14","0.03","115.15","0.03","738.3","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","trans-3,5-Dioxo-3,5-diphenyl-4-oxa-1,3,5-thia-diphosphorinane","","- C14 H14 O3 P2 S -","- C14 H14 O3 P2 S -","- C28 H28 O6 P4 S2 -","2","1","FG1232","Jones, Peter G.; Weinkauf, Andreas","<i>trans</i>-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione","Acta Crystallographica Section C","1997","53","5","615","616","10.1107/S0108270197000073","","","0.71073","MoKα","","0.0339","0.0301","","0.0811","0.0776","","","","1.038","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006109","6.78","0.001","10.229","0.003","15.991","0.002","90","","98.83","0.02","90","","1095.9","0.4","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(+/-)-4,5-Dihydro-1-oxo-2a(3H)-acenaphthylenecarboxylic acid","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","FG1238","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Catemeric Hydrogen Bonding in a γ-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2<i>H</i>)-oxoacenaphthylene-2a-carboxylic Acid","Acta Crystallographica Section C","1997","53","5","599","601","10.1107/S0108270196015144","","","0.71073","MoKα","","0.1109","0.0565","","0.1481","0.1209","","","","1.037","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006110","14.4649","0.0009","18.015","0.002","8.0881","0.0008","90","","90","","90","","2107.6","0.3","20","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1aS]-6-amino-8{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-phenylthiomethylazirino[2',3':3,4]- pyrrolo[1,2-a]indole-4,7-dione","","- C21 H22 N4 O5 S -","- C21 H22 N4 O5 S -","- C84 H88 N16 O20 S4 -","4","1","FR1007","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","5","610","612","10.1107/S0108270196015612","","","1.5418","CuKα","","","0.052","","","0.08","","","","","2.38","2.38","","","","","has coordinates,has disorder","194531","2020-10-21","18:00:00",""
"2006111","14.637","0.003","16.46","0.002","6.629","0.002","90","","90","","90","","1597.1","0.6","296","","296","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C56 H72 N8 O24 S8 -","8","1","","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","","610","612","","","","","","","","0.058","","","0.038","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006112","15.908","0.002","7.337","0.005","16.798","0.002","90","","117.145","0.006","90","","1744.7","1.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-aminotoluene-3-sulfonic acid hemihydrate","","- C7 H10 N O3.5 S -","- C7 H10 N O3.5 S -","- C56 H80 N8 O28 S8 -","8","2","FR1011","Leonard, Melvin A.; Squattrito, Philip J.","Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid","Acta Crystallographica Section C","1997","53","5","648","651","10.1107/S0108270196015600","","","0.7107","MoKα","","","0.087","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006113","10.246","0.002","5.524","0.002","19.973","0.001","90","","90.463","0.009","90","","1130.4","0.5","173","2","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0369","","","0.0464","","","","","2.165","2.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006114","9.432","0.001","5.472","0.002","14.9983","0.0009","90","","101.657","0.007","90","","758.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0359","","","0.0362","","","","","2.602","2.602","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006115","9.823","0.002","19.6","0.002","11.384","0.002","90","","93.26","0.02","90","","2188.2","0.6","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trifluoromethyl(cobalt) tricarbonyl triphenylphosphine","","- C22 H15 Co F3 O3 P -","- C22 H15 Co F3 O3 P -","- C88 H60 Co4 F12 O12 P4 -","4","1","FR1018","Mullica, Donald F.; Sappenfield, Eric L.; Gipson, Stephen L.; Wilkinson, Chad C.","Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt","Acta Crystallographica Section C","1997","53","5","572","574","10.1107/S0108270196015910","","","0.71073","MoKα","","0.098","0.051","","0.729","0.065","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006116","7.602","0.001","8.662","0.001","7.505","0.001","94.64","0.01","96.48","0.01","67.2","0.01","452.3","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.04","","","0.055","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006117","7.378","0.001","7.306","0.001","16.833","0.001","90","","95.544","0.007","90","","903.12","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006118","10.839","0.002","13.519","0.003","18.939","0.004","90","","90","","90","","2775.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Styrylsilatrane","E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C14 H19 N O3 Si -","- C14 H19 N O3 Si -","- C112 H152 N8 O24 Si8 -","8","1","FR1023","Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.","1-Styrylsilatrane","Acta Crystallographica Section C","1997","53","5","637","639","10.1107/S0108270197000310","","","0.56086","AgKα","","0.2333","0.0554","","0.1305","0.0879","","","","0.761","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006119","12.148","0.002","20.749","0.003","13.026","0.002","90","","113.68","0.01","90","","3006.9","0.8","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-nitrilotriacet-N-amide : lead (II) nitrate","","- C18 H36 N10 O12 Pb -","- C18 H36 N10 O12 Pb -","- C72 H144 N40 O48 Pb4 -","4","1","FR1025","Skrzypczak-Jankun, Ewa","2:1 Complex of <i>N</i>,<i>N</i>',<i>N</i>''-Trimethylnitrilotriacetamide and Pb(NO~3~)~2~","Acta Crystallographica Section C","1997","53","5","579","581","10.1107/S0108270197000693","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.114","1.114","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006120","16.353","0.009","30.264","0.009","8.461","0.008","90","","90","","90","","4187","5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide","","- C29 H21 Br -","- C29 H21 Br -","- C232 H168 Br8 -","8","1","HA1185","Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide","Acta Crystallographica Section C","1997","53","5","644","646","10.1107/S0108270197000632","","","0.71073","MoKα","","0.129","0.0712","","0.2757","0.1871","","","","1.119","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006121","14.133","0.002","8.642","0.002","8.7698","0.0011","90","","93.89","0.03","90","","1068.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(Dimethylamino)-8-methyl-2-quinolone","5-(Dimethylamino)-8-methyl-2-quinolone","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","JZ1147","Sudha, L.; Subramanian, K.; Steiner, Thomas; Koellner, Gertraud; Ramakrishnan, V. T. R.; Sriraghavan, K.","5-Dimethylamino-8-methyl-2-quinolone","Acta Crystallographica Section C","1997","53","5","606","607","10.1107/S0108270196010621","","","1.54176","CuKα","","0.0572","0.0446","","0.127","0.1222","","","","1.095","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006122","9.556","0.003","18.257","0.003","18.629","0.003","90","","90","","90","","3250.1","1.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","3-Acetamido-4-N-cyclooctylaminonitrobenzene","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C128 H184 N24 O24 -","8","2","KA1198","González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.","3-Acetamido-4-(cyclooctylamino)nitrobenzene","Acta Crystallographica Section C","1997","53","5","651","654","10.1107/S0108270196007202","","","0.71069","MoKα","","0.1577","0.0639","","0.2117","0.157","","","","1.034","1.157","1.157","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006123","9.32","0.002","9.9726","0.0014","17.203","0.004","90","","104.831","0.015","90","","1545.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-thienylpyridin)platin(II)","","- C18 H12 N2 Pt S2 -","- C18 H12 N2 Pt S2 -","- C72 H48 N8 Pt4 S8 -","4","1","KA1218","Breu, Josef; Range, Klaus-Jürgen; von Zelewsky, Alex; Yersin, Hartmut","Arene‒Arene Stacking in <i>cis</i>-Bis[2-(2-thienyl-<i>C</i>^3^)pyridine-<i>N</i>]platinum(II)","Acta Crystallographica Section C","1997","53","5","562","565","10.1107/S0108270196015053","","","0.71069","MoKα","","0.0298","0.0265","","0.0728","0.0714","","","","1.072","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006124","9.276","0.006","9.879","0.006","22.499","0.013","92.54","0.04","95.08","0.04","102.67","0.04","1999","2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","Bis[2-(triphenylsilyl)phenyl] Disulphide","","- C48 H38 S2 Si2 -","- C48 H38 S2 Si2 -","- C96 H76 S4 Si4 -","2","1","KA1224","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Bis[2-(triphenylsilyl)phenyl] Disulfide","Acta Crystallographica Section C","1997","53","5","654","655","10.1107/S0108270197001662","","","0.71073","MoKα","","0.0677","0.0375","","0.1172","0.1018","","","","1.01","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006125","11.198","0.002","8.836","0.006","25.795","0.007","90","","98.34","0.02","90","","2525.3","1.9","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl2 N4 O9 -","- C16 H40 Cl2 N4 O9 -","- C64 H160 Cl8 N16 O36 -","4","1","KH1117","Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate","Acta Crystallographica Section C","1997","53","5","588","590","10.1107/S0108270196014667","","","0.71073","MoKα","","","0.061","","","0.07","","","","","1.76","1.76","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006126","11.792","0.001","15.799","0.001","20.925","0.002","105.31","0.01","96.27","0.001","106.17","0.01","3540.3","0.6","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H82 N4 Na2 O20 S4 -","- C65 H82 N4 Na2 O20 S4 -","- C130 H164 N8 Na4 O40 S8 -","2","1","KH1122","Long, De-Liang; Jin, Qun-Hua; Xin, Xin-Quan; Yu, Kai-bei","Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[<i>b</i>]cyclopentadecene-<i>O</i>^1^,<i>O</i>^4^,<i>O</i>^7^,<i>O</i>^10^,<i>O</i>^13^)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 ‒) (2/1)","Acta Crystallographica Section C","1997","53","5","554","556","10.1107/S010827019601517X","","","0.71073","MoKα","","0.0914","0.0521","","0.1494","0.1368","","","","0.954","1.193","1.193","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006127","10.085","0.002","19.66","0.002","13.096","0.002","90","","96.683","0.008","90","","2578.9","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(p-chlorophenyl)diphenyl-N-phthaloylglycinatotin","","- C28 H22 Cl N O5 Sn -","- C28 H22.01 Cl1.01 N O5 Sn -","- C112 H88.04 Cl4.04 N4 O20 Sn4 -","4","1","KH1124","Lo, Kong Mun; Ng, Seik Weng; Kumar Das, V. G.","Aqua(<i>p</i>-chlorophenyl)diphenyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","545","546","10.1107/S0108270196014837","","","0.71073","MoKα","","0.0501","0.0342","","0.0878","0.083","","","","1.031","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006128","11.003","0.001","13.3701","0.0009","18.408","0.002","90","","96.734","0.005","90","","2689.3","0.4","298","2","2980","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricyclohexyl-N-phthaloylglycinatotin","","- C28 H39 N O4 Sn -","- C28 H39 N O4 Sn -","- C112 H156 N4 O16 Sn4 -","4","1","KH1125","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","546","548","10.1107/S0108270196014849","","","0.71073","MoKα","","0.0706","0.0446","","0.0942","0.0862","","","","0.98","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006129","9.3375","0.0008","10.0667","0.0009","17.456","0.002","79.866","0.009","81.874","0.009","62.776","0.007","1432.8","0.3","300","","300","","","","","","","","","6","P -1","-P 1","2","","Tricyclohexyltin N,N-diethyldithiocarbamoylacetate","","- C25 H45 N O2 S2 Sn -","- C25 H45 N O2 S2 Sn -","- C50 H90 N2 O4 S4 Sn2 -","2","1","KH1130","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato-<i>O</i>]tin(IV)","Acta Crystallographica Section C","1997","53","5","548","549","10.1107/S010827019601493X","","","0.71073","MoKα","","0.0444","0.0375","","0.1115","0.1058","","","","1.166","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006130","10.5774","0.0004","7.0688","0.0003","25.62","0.001","90","","90","","90","","1915.6","0.13","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Sulfobenzoic acid hydrate","Hydronium hydrogen 2-sulfobenzoate","","- C7 H8 O6 S -","- C7 H8 O6 S -","- C56 H64 O48 S8 -","8","1","KH1131","Ng, Seik Weng","Hydronium 2-Carboxybenzenesulfonate","Acta Crystallographica Section C","1997","53","5","633","634","10.1107/S0108270196015326","","","0.71073","MoKα","","0.0488","0.0393","","0.1121","0.1057","","","","1.032","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006131","5.795","0.004","9.059","0.004","16.081","0.007","84.24","0.04","84.2","0.04","77.85","0.05","818.3","0.8","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 O2 S4 Sb -","- C12 H15 O2 S4 Sb -","- C24 H30 O4 S8 Sb2 -","2","1","MU1305","Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.","Bis(ethylxanthato)phenylantimony(III)","Acta Crystallographica Section C","1997","53","5","583","585","10.1107/S0108270197000620","","","0.71073","MoKα","","0.0225","0.019","","0.0417","0.0392","","","","1.144","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006132","8.7641","0.0004","26.785","0.002","12.5316","0.0007","90","","104.412","0.004","90","","2849.2","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate","","- C27 H35 Cl F N3 O10 -","- C27 H35 Cl F N3 O10 -","- C108 H140 Cl4 F4 N12 O40 -","4","2","NA1275","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","Absolute Configuration of the Double Salt of <i>cis</i>-4-Amino-5-chloro-<i>N</i>-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)","Acta Crystallographica Section C","1997","53","5","597","599","10.1107/S0108270196015181","","","1.54184","CuKα","","0.0511","0.0415","","0.1092","0.1092","","","","1.032","1.032","1.032","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006133","9.405","0.002","10.195","0.003","20.783","0.006","89.05","0.02","78.86","0.02","79.87","0.02","1924.4","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl3 Cu2 N8 O12 -","- C33 H25 Cl3 Cu2 N8 O12 -","- C66 H50 Cl6 Cu4 N16 O24 -","2","1","NA1277","Bulach, Véronique; Duval, Hugues; Fischer, Jean; Weiss, Raymond","μ-Cyano-bis(2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')dicopper(II) Perchlorate Acetonitrile, [Cu~2~(CN)(C~15~H~11~N~3~)~2~](ClO~4~)~3~.CH~3~CN","Acta Crystallographica Section C","1997","53","5","543","545","10.1107/S0108270196015570","","","0.71073","MoKα","","0.143","0.049","","0.116","0.07","","","","2.29","1.361","1.361","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006134","10.267","0.001","8.505","0.001","14.996","0.001","90","","96.85","0.01","90","","1300.1","0.2","298","","299","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-acetonylbicyclo[6.3.0]undecane-2,6-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0605","","","0.0529","","","","","1.16","1.16","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2006135","9.966","0.002","10.794","0.002","8.171","0.002","98.03","0.02","111.46","0.02","106.98","0.02","751.8","0.3","297","","299","","","","","","","","","3","P -1","-P 1","2","","7-acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0537","","","0.047","","","","","1","1","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006136","8.115","0.002","17.959","0.002","9.034","0.002","90","","94.71","0.02","90","","1312.1","0.5","298","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,13-dihydroxy-13-methyltetracyclo[9.3.0.0^2,6^]tetradec-2-ene-4,9-dione","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0564","","","0.0538","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006137","8.689","0.002","13.862","0.002","5.96","0.001","94.12","0.01","100.47","0.01","107.7","0.01","666.3","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0439","","","0.0406","","","","","0.969","0.969","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006138","6.159","0.002","8.332","0.003","23.306","0.002","90","","90.93","0.02","90","","1195.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-o-stilbenecarboxylic acid","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0468","","","0.0422","","","","","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006139","7.138","0.002","12.036","0.002","14.874","0.002","90","","91.74","0.02","90","","1277.3","0.5","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methyl-(E)-o-stilbenecarboxylic acid","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0456","","","0.051","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006140","12.977","0.005","8.023","0.004","25.171","0.003","90","","103.56","0.02","90","","2547.6","1.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C120 H88 Cl8 O16 -","8","2","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0505","","","0.0452","","","","","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006141","11.361","0.002","5.066","0.003","22.71","0.002","90","","98.45","0.01","90","","1292.9","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0699","","","0.0531","","","","","1.25","1.25","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006142","11.28","0.002","5.273","0.002","22.462","0.002","90","","103","0.01","90","","1301.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methoxy-(E)-o-stilbenecarboxylic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0512","","","0.0463","","","","","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006143","6.0178","0.0006","28.449","0.003","8.0272","0.0009","90","","90","","90","","1374.3","0.3","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Phenyldibenzophosphole","","- C18 H13 P -","- C18 H13 P -","- C72 H52 P4 -","4","1","QA0001","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","5-Phenyldibenzophosphole, Polymorph 2","Acta Crystallographica Section C","1997","53","5","IUC9700001","","10.1107/S0108270197099526","","","0.7107","MolybdenumKα","","0.0909","0.0495","","0.1473","","0.1297","","","0.971","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006144","6.1276","0.0007","12.1791","0.0012","8.9973","0.0012","90","","105.07","0.01","90","","648.36","0.13","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium Hexaaquanickel(II)/Hexaaquairon(II)(0.93/0.07) Sulfate","","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.14 H24 K4 Ni1.86 O28 S4 -","2","0.5","QA0002","Ferguson, George; Spalding, Trevor R.; Herlihy, Emmet A.","Dipotassium Hexaaquairon(II) Bis(sulfate)‒Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93)","Acta Crystallographica Section C","1997","53","5","IUC9700002","","10.1107/S010827019709954X","","","0.7107","MolybdenumKα","","0.022","0.0204","","0.0572","","0.0567","","","1.176","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006145","8.54","0.0011","5.2249","0.0014","10.2686","0.0008","90","","97.191","0.008","90","","454.59","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","QB0001","Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y.","First Example of a Crystalline Urazole Nucleoside with an <small>L</small>-Configured Sugar. (1<i>S</i>,2<i>S</i>)-Urazole α-<small>L</small>-Pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1997","53","5","IUC9700003","","10.1107/S0108270197099514","","","0.71069","MoKα","","0.0526","0.0341","","0.1019","","0.0914","","","1.042","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006146","8.804","0.002","14.208","0.001","13.931","0.001","90","","103.57","0.01","90","","1693.9","0.4","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-[H-imidazolyl-1-oxy 3-oxide)dichlorocopper(II) Bis(methylene chloride) Solvate","","- C26 H36 Cl6 Cu N6 O4 -","- C26 H36 Cl6 Cu N6 O4 -","- C52 H72 Cl12 Cu2 N12 O8 -","2","0.5","QB0002","Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari","Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","5","IUC9700004","","10.1107/S0108270197099538","","","0.71073","MoKα","","","0.0417","","","0.0374","","","","","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006147","8.94","0.003","14.259","0.004","25.929","0.007","90","","90","","90","","3305.3","1.7","158","2","158","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.","","- C11 H29 Cl N4 O5 -","- C11 H29 Cl N4 O5 -","- C88 H232 Cl8 N32 O40 -","8","1","SK1026","Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.","A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate","Acta Crystallographica Section C","1997","53","5","586","587","10.1107/S0108270196015193","","","0.71073","MoKα","","0.0777","0.0468","","0.1115","0.1039","","","","0.878","1.067","1.067","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006148","13.798","0.005","20.533","0.009","13.85","0.006","90","","104.5","0.03","90","","3799","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphospine)1,1,2,3,3-pentacyanpropenide copper(I)","","- C88 H60 Cu2 N10 P4 -","- C88 H60 Cu2 N10 P4 -","- C176 H120 Cu4 N20 P8 -","2","0.5","SK1037","Dvorský, Andrej; Kožíšek, Jozef; Jäger, Lothar; Tretner, Carola","Bis[(1,1,2,3,3-pentacyanopropenido-<i>N</i>^1^:<i>N</i>^2^)bis(triphenylphosphine-<i>P</i>)copper(I)]","Acta Crystallographica Section C","1997","53","5","556","559","10.1107/S0108270196015211","","","0.71073","MoKα","","0.1307","0.0436","","0.1034","0.0815","","","","0.907","1.074","1.074","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006149","6.811","0.002","11.079","0.002","14.907","0.002","91.82","0.03","96.53","0.03","105.41","0.03","1075.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C46 H44 N4 O8 S2 -","2","1","SK1039","Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet","5-Allyl-3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)azobenzene","Acta Crystallographica Section C","1997","53","5","593","594","10.1107/S0108270196011596","","","0.71069","MoKα","","0.0534","0.044","","0.1234","0.117","","","","1.063","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006150","7.812","0.001","12","0.001","17.161","0.001","78.92","0.02","84.32","0.02","72.23","0.02","1502","0.3","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","1:1:1 methanol . [2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide]","","- C27 H36 N8 O6 S -","- C27 H36 N8 O6 S -","- C54 H72 N16 O12 S2 -","2","1","SK1047","Bettinetti, Giampiero; Sardone, Nicola","Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine","Acta Crystallographica Section C","1997","53","5","594","597","10.1107/S0108270196014783","","","1.54184","CuKα","","0.044","0.042","","","0.041","","","","","0.632","0.632","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006151","15.543","0.002","14.025","0.001","14.676","0.005","90","","112.42","0.02","90","","2957.4","1.2","292","","292","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hexakis(Thiourea)cadmium perrhenate monohydrate","","- C6 H26 Cd N12 O9 Re2 S6 -","- C6 H26 Cd N12 O9 Re2 S6 -","- C24 H104 Cd4 N48 O36 Re8 S24 -","4","0.5","SK1053","Rosica Petrova; Olyana Angelova; Josef Macíček","Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate","Acta Crystallographica Section C","1997","53","5","565","568","10.1107/S0108270196015107","","","0.71073","MoKα","","0.068","0.032","","0.035","0.035","","","","1.264","1.286","1.286","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006152","10.338","0.002","8.687","0.002","10.756","0.002","90","","95.05","0.01","90","","962.2","0.3","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0208","0.0175","","0.0479","0.0464","","","","0.984","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006153","10.215","0.003","8.697","0.004","10.748","0.003","90","","95.41","0.02","90","","950.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0174","0.0152","","0.0379","0.0372","","","","1.106","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006154","10.68","0.003","8.838","0.004","10.99","0.003","90","","94.7","0.02","90","","1033.9","0.6","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0395","0.0214","","0.0522","0.049","","","","1.036","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006155","10.575","0.002","8.815","0.005","10.97","0.002","90","","94.97","0.02","90","","1018.8","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0294","0.0188","","0.0485","0.0465","","","","1.1","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006156","12.736","0.005","12.911","0.002","9.805","0.002","102.62","0.01","100.02","0.02","71.58","0.02","1483.1","0.7","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu F6 N4 O8 S2 -","- C23 H28 Cu F6 N4 O8 S2 -","- C46 H56 Cu2 F12 N8 O16 S4 -","2","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.137","0.05","","","0.05","","","","","1.319","1.319","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006157","18.168","0.002","7.867","0.002","21.908","0.003","90","","125.58","0.04","90","","2546.7","1.5","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cu F6 N4 O2 P -","- C23 H27 Cu F6 N4 O2 P -","- C92 H108 Cu4 F24 N16 O8 P4 -","4","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.081","0.075","","","0.098","","","","","3.208","3.208","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006158","14.814","0.003","9.623","0.002","7.309","0.002","90","","90","","90","","1041.9","0.4","290","","290","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0407","0.024","","0.0674","0.0623","","","","0.993","1.051","1.051","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006159","14.726","0.005","9.646","0.007","7.219","0.003","90","","90","","90","","1025.4","0.9","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0374","0.0233","","0.0619","0.057","","","","1.042","1.089","1.089","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006160","9.7232","0.0011","9.2506","0.0013","10.6178","0.0013","90","","90","","90","","955","0.2","130","1","130","1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-butylthiophen-3-carboxamide","","- C9 H13 N O S -","- C9 H13 N O S -","- C36 H52 N4 O4 S4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0363","0.036","","0.1045","0.1042","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006161","8.4701","0.0009","21.624","0.002","9.34","0.0009","90","","114.497","0.008","90","","1556.7","0.3","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-benzylseleno-N-butylthiophen-3-carboxamide","","- C16 H19 N O S Se -","- C16 H19 N O S Se -","- C64 H76 N4 O4 S4 Se4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0303","0.0293","","0.0777","0.0771","","","","1.169","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006162","8.467","0.002","11.154","0.002","9.654","0.002","90","","92.24","0.02","90","","911","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","1α,5α-Dihydroxymanoyl oxide","","- C20 H34 O3 -","- C20 H34 O3 -","- C40 H68 O6 -","2","1","SX1001","Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.","1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from <i>Satureja gilliesii</i>","Acta Crystallographica Section C","1997","53","5","624","626","10.1107/S0108270197000048","","","0.71073","MoKα","","0.0487","0.038","","0.0441","0.0423","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006163","10.356","0.002","15.35","0.003","13.394","0.003","90","","96.38","0.04","90","","2116","0.8","293","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N5 O11 -","- C20 H17 N5 O11 -","- C80 H68 N20 O44 -","4","1","TA1106","In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio","Anthranilic Acid‒Picric Acid (2/1) Complex","Acta Crystallographica Section C","1997","53","5","646","648","10.1107/S0108270196011262","","","1.5418","CuKα","","","0.059","","","0.067","","","","","1.7187","1.7187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006164","7.405","0.002","18.481","0.002","8.1246","0.0009","90","","111.14","0.01","90","","1037","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(n-butyl)-3,4-dibromomaleimide","","- C8 H9 Br2 N O2 -","- C8 H9 Br2 N O2 -","- C32 H36 Br8 N4 O8 -","4","1","TA1129","Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng","<i>N</i>-(<i>n</i>-Butyl)-3,4-dibromomaleimide","Acta Crystallographica Section C","1997","53","5","631","633","10.1107/S0108270197000024","","","0.71073","MoKα","","0.0713","0.0456","","0.1095","0.0983","","","","1.092","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006165","11.857","0.006","3.66","0.002","10.909","0.006","90","","100.43","0.04","90","","465.6","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- Li2 O13 V6 -","- Li2 O13 V6 -","- Li4 O26 V12 -","2","0.25","TA1132","Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.","Electrochemically Lithiated Vanadium Oxide, Li~2~V~6~O~13~","Acta Crystallographica Section C","1997","53","5","528","530","10.1107/S0108270196015235","","","0.7107","MolybdenumKα","","0.04","0.04","","0.055","0.055","","","","2.69","2.69","2.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006166","12.333","0.002","7.146","0.001","10.885","0.001","90","","111.57","0.01","90","","892.1","0.2","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O3 Si Sr -","- O3 Si Sr -","- O36 Si12 Sr12 -","12","1.5","TA1133","Nishi, Fumito","Strontium Metasilicate, SrSiO~3~","Acta Crystallographica Section C","1997","53","5","534","536","10.1107/S0108270196015338","","","0.71073","MoKα","","","0.056","","","0.067","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006167","9.844","0.007","3.901","0.003","17.245","0.015","90","","93.17","0.06","90","","661.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","MTNPH","5-methylthiophenecarboxaldehyde-4-nitrophenylhydrazone monohydrate","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C24 H26 N6 O6 S2 -","2","1","AB1423","Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter","5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone‒Water (1/1)","Acta Crystallographica Section C","1997","53","6","757","759","10.1107/S0108270197002552","","","0.71073","MoKα","","0.0943","0.0385","","0.0815","0.0748","","","","0.674","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006168","12.231","0.002","13.643","0.003","7.733","0.003","90","","90","","90","","1290.4","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","AB1426","Kennedy, Alan R.; Khalaf, Abedawn I.","<i>N</i>,<i>N</i>-Diacetyl-2,5-dimethyl-6-nitroaniline","Acta Crystallographica Section C","1997","53","6","744","746","10.1107/S0108270197002564","","","0.71069","MoKα","","0.1372","0.0682","","0.0537","0.0456","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006169","7.473","0.0011","8.286","0.0011","17.527","0.002","90","","90","","90","","1085.3","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine, 4-oxide","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","AB1427","Gallagher, John F.; Ferguson, George; Brouwer, Walter G.","3-(Benzo[<i>b</i>]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide","Acta Crystallographica Section C","1997","53","6","823","825","10.1107/S0108270196014539","","","0.7107","MolybdenumKα","","0.0307","0.0257","","0.0732","0.0714","","","","1.06","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006170","11.065","0.001","5.614","0.002","24.225","0.002","90","","90.728","0.006","90","","1504.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)aniline","","- C17 H16 Cl N3 -","- C17 H16 Cl N3 -","- C68 H64 Cl4 N12 -","4","1","AB1428","Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare","The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","1997","53","6","761","762","10.1107/S0108270197000784","","","1.54178","CuKα","","","0.0441","","0.1531","0.1531","","","","0.657","0.657","0.657","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006171","8.111","0.002","6.146","0.001","10.242","0.001","90","","103.19","0.01","90","","497.1","0.16","293","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meso-3,3'-bi(1,2,4-trithiacyclohex-5-enyl)","","","- C6 H6 S6 -","- C6 H6 S6 -","- C12 H12 S12 -","2","0.5","AB1429","Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa","<i>meso</i>-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl)","Acta Crystallographica Section C","1997","53","6","748","749","10.1107/S0108270197002230","","","0.7107","MoKα","","","0.0286","","","0.0345","","","","","3.901","3.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006172","6.1863","0.0002","12.5481","0.0004","19.8831","0.0006","90","","90","","90","","1543.45","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-alanine tetrahydrate","","- C9 H26 N2 O7 -","- C9 H26 N2 O7 -","- C36 H104 N8 O28 -","4","1","AB1443","Görbitz, Carl Henrik","Cyclic Water Pentamers in <small>L</small>-Leucyl-<small>L</small>-alanine Tetrahydrate","Acta Crystallographica Section C","1997","53","6","736","739","10.1107/S0108270196015946","","","0.71073","MoKα","","0.0455","0.038","","0.0905","0.0857","","","","1.142","1.137","1.137","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006173","11.959","0.003","14.696","0.004","20.203","0.004","90","","91.54","0.02","90","","3549.4","1.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{7,8-μ-thiobenzate}-{7,11-μ-thiobenzate}-10-(triphenylphosphine)- nido-7-nickelaundecaborane","","- C32 H33 B10 Ni O2 P S2 -","- C32 H33 B10 Ni O2 P S2 -","- C128 H132 B40 Ni4 O8 P4 S8 -","4","1","AB1444","Dou, Jian-Min; Hu, Chun-Hua; Yao, Hai-Jun; Li, Wen; Jin, Ruo-Shui; Zheng, Pei-Ju","A Cycloboronated Nickelaundecaborane: [(PhCOS)~2~NiB~10~H~8~(PPh~3~)]","Acta Crystallographica Section C","1997","53","6","693","695","10.1107/S0108270197002242","","","0.71073","MoKα","","0.0639","0.0321","","0.106","0.0857","","","","1.065","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006174","11.043","0.005","15.524","0.003","23.016","0.003","90","0.02","91.28","0.02","90","0.03","3945","2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,7-μ-thiobenzoate}-{3,7-μ-thiobenzoate}-7-(triphenyl-phosphine)-nido- 7-nickelaundecaborane","","- C36 H42 B10 Ni O2 P S2 -","- C35 H35 B10 Ni O2 P S2 -","- C140 H140 B40 Ni4 O8 P4 S8 -","4","1","AB1447","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng","<i>ortho</i>-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~","Acta Crystallographica Section C","1997","53","6","695","697","10.1107/S0108270197002254","","","0.71073","MoKα","","0.074","0.0428","","0.1578","0.1253","","","","0.986","0.936","0.936","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006175","9.054","0.005","11.467","0.004","8.512","0.003","110.66","0.03","109.01","0.04","76.51","0.04","774.8","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C34 H32 N8 S2 -","2","1","AB1449","Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol","9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K","Acta Crystallographica Section C","1997","53","6","732","734","10.1107/S010827019700108X","","","0.71069","MoKα","","0.0923","0.0524","","0.0556","0.0526","","","","","2.145","2.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006176","16.178","0.002","16.178","0.002","12.462","0.003","90","","90","","90","","3261.7","1","160","2","160","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","benzyltrimethylammonium tetramethoxyborate","","- C14 H28 B N O4 -","- C14 H28 B N O4 -","- C112 H224 B8 N8 O32 -","8","1","AB1461","Clegg, William; Errington, R. John; Carmalt, Claire J.","Benzyltrimethylammonium Tetramethoxoborate","Acta Crystallographica Section C","1997","53","6","751","753","10.1107/S0108270197003508","","","0.71073","MoKα","","0.0898","0.0496","","0.1423","0.1125","","","","1.033","1.009","1.009","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006177","10.969","0.002","20.492","0.004","11.637","0.002","90","","99.13","0.01","90","","2582.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(1,10-phenanthroline-N1,N10)cobalt(II) Acetonitrile sesquisolvate","","- C27 H20.5 Cl2 Co N5.5 -","- C27 H16 Cl2 Co N5.5 -","- C108 H64 Cl8 Co4 N22 -","4","1","AB1462","Alan Hazell; John McGinley; Christine J. McKenzie","Dichlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)‒Acetonitrile (1/1.5)","Acta Crystallographica Section C","1997","53","6","723","725","10.1107/S0108270197004150","","","0.71073","MoKα","","","0.045","","","0.056","","","","","1.176","1.176","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006178","13.811","0.002","14.0419","0.0015","22.409","0.003","90","","97.391","0.011","90","","4309.7","1","294","1","294","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","9,12-dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda- closo-dodecaborane‒dichloromethane(1/1)","","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C156 H168 B36 Br8 Cl8 P8 Rh4 -","4","1","AB1472","McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George","9,12-Dibromo-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-hydrido-3-rhoda-<i>closo</i>-dodecaborane‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","6","685","687","10.1107/S0108270197003715","","","0.7107","MolybdenumKα","","0.1302","0.0656","","0.1346","","0.1152","","","0.919","","","1.099","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006179","11.437","0.002","7.579","0.001","17.335","0.002","90","","95.09","0.03","90","","1496.7","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl4 N2 O -","- C14 H8 Cl4 N2 O -","- C56 H32 Cl16 N8 O4 -","4","1","AB1474","Clegg, William; Elsegood, Mark R. J.; Jackson, Richard F. W.; Fraser, Joanne L.; Emsden, Lee J.","<i>N</i>-(2,3,5,6-Tetrachloropyrid-4-yl)cinnamide","Acta Crystallographica Section C","1997","53","6","797","799","10.1107/S0108270197004162","","","0.71073","MoKα","","0.057","0.0464","","0.1267","0.1177","","","","1.061","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006180","32.403","0.006","7.668","0.002","14.127","0.003","90","","109.2","0.03","90","","3314.8","1.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Methylbenzothiazole-2(3H)-selone","","- C8 H7 N S Se -","- C8 H7 N S Se -","- C128 H112 N16 S16 Se16 -","16","2","AV1002","Husebye, Steinar; Lindeman, Sergey V.; Rudd, Martin D.","<i>N</i>-Methylbenzothiazole-2(3<i>H</i>)-selone, C~8~H~7~NSSe","Acta Crystallographica Section C","1997","53","6","809","811","10.1107/S0108270197000309","","","0.71069","MoKα","","0.0895","0.0529","","0.1648","0.1244","","","","1.091","1.085","1.085","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006181","25.372","0.001","25.372","0.001","12.726","0.002","90","","90","","90","","8192.2","1.4","183","2","183","2","","","","","","","","7","P 43","P 4cw","78","","","","- C40 H32 F12 N7 O0.5 P2 Ru -","- C40 H32 F12 N7 O0.5 P2 Ru -","- C320 H256 F96 N56 O4 P16 Ru8 -","8","2","BK1256","Maloney, David J.; MacDonnell, Frederick M.","Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)","Acta Crystallographica Section C","1997","53","6","705","707","10.1107/S0108270197001091","","","0.71073","MoKα","","0.01","0.063","","0.16","0.139","","","","1.04","1.07","1.07","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006182","24.612","0.002","3.8302","0.0004","8.501","0.0005","90","","90","","90","","801.38","0.12","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BK1284","Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A.","Methylxanthines. I. Anhydrous Theophylline","Acta Crystallographica Section C","1997","53","6","777","779","10.1107/S0108270197001960","","","0.71073","MolybdenumKα","","0.053","0.053","","0.056","0.056","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006183","10.199","0.002","6.543","0.001","18.145","0.003","90","","104.77","0.01","90","","1170.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O3 S2 -","- C10 H8 Cd N2 O3 S2 -","- C40 H32 Cd4 N8 O12 S8 -","4","1","BK1303","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(μ-thiosulfato)cadmium(II)","Acta Crystallographica Section C","1997","53","6","727","729","10.1107/S0108270197001972","","","0.71073","MoKα","","0.0286","0.022","","0.0534","0.0506","","","","1.067","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006184","11.049","0.001","4.7982","0.0009","22.682","0.001","90","","90.108","0.006","90","","1202.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-bis(hydroxymethyl)anthracene","1,8-bis(hydroxymethyl)anthracene","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","BK1309","Aumiller, Wade D.; Gerkin, Roger E.","1,8-Bis(hydroxymethyl)anthracene","Acta Crystallographica Section C","1997","53","6","769","771","10.1107/S0108270197001108","","","0.71073","MoKα","","","0.06","","","0.06","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006185","7.4948","0.0003","11.5989","0.0006","27.147","0.003","90","","90","","90","","2359.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione.H~2O. picrate complex","","- C20 H24 N6 O12 -","- C20 H24 N6 O12 -","- C80 H96 N24 O48 -","4","1","BM1115","Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin","10<i>H</i>^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)","Acta Crystallographica Section C","1997","53","6","799","801","10.1107/S0108270196015041","","","1.5418","CuKα","","0.045","0.0399","","0.1071","0.0997","","","","1.089","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006186","9.854","0.004","6.352","0.004","19.372","0.006","90","","90.52","0.03","90","","1212.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylhexamethylenetetramine fluoride tetrahydrate","","- C7 H23 F N4 O4 -","- C7 H23 F N4 O4 -","- C28 H92 F4 N16 O16 -","4","1","BM1129","Nightingale, David J.; Cronin, Leroy; Clark, James H.","Methylhexamethylenetetramine Fluoride Tetrahydrate, MeHMTAF.4H~2~O","Acta Crystallographica Section C","1997","53","6","789","791","10.1107/S0108270197000541","","","0.71069","MoKα","","0.2852","0.0828","","0.2541","0.1769","","","","0.993","1.301","1.301","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2006187","8.648","0.004","11.561","0.008","8.189","0.004","90","","114.43","0.04","90","","745.4","0.8","220","0.2","220","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","BM1136","Clelland, Iain C.; McNab, Hamish; Parsons, Simon","α-Formylphenylacetonitrile in the Solid State at 220K","Acta Crystallographica Section C","1997","53","6","807","809","10.1107/S0108270197002382","","","1.54178","CuKα","","0.0454","0.0359","","0.0976","0.0922","","","","1.045","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006188","6.107","0.001","17.653","0.004","14.448","0.003","90","","94.8","0.03","90","","1552.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Chloro-penta(ammine)]cobalt(III) [(hydroxy)(nitroso)tetra(nitro)]ruthenoate","","- Cl Co H16 N10 O10 Ru -","- Cl Co H16 N10 O10 Ru -","- Cl4 Co4 H64 N40 O40 Ru4 -","4","1","BR1156","Belsky, Vitaly K.; Kokunova, Vera N.","Pentaamminechlorocobalt(III) Hydroxotetranitronitrosylruthenate(III)","Acta Crystallographica Section C","1997","53","6","659","661","10.1107/S0108270196014631","","","0.71069","MoKα","","0.0198","0.0198","","0.0557","0.0557","","","","1.088","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006189","9.091","0.001","5.231","0.001","5.57","0.001","90","","90.94","0.01","90","","264.85","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Magnesium hydrogen selenite","Magnesium bis[hydrogentrioxoselenate(IV)]","","- H2 Mg O6 Se2 -","- H2 Mg O6 Se2 -","- H4 Mg2 O12 Se4 -","2","0.5","BR1165","Boldt, Kai; Engelen, Bernward; Unterderweide, Klaus","A New Acid Selenite: Mg(HSeO~3~)~2~","Acta Crystallographica Section C","1997","53","6","666","668","10.1107/S0108270197000462","","","0.71069","MoKα","","0.0366","0.0235","","0.056","0.0547","","","","1.184","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006190","6.0341","0.0004","6.0341","0.0004","7.7888","0.0006","90","","90","","90","","283.59","0.03","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","1.36","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006191","6.1756","0.0005","6.1756","0.0005","7.9006","0.0006","90","","90","","90","","301.31","0.04","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cu O4 Rh2 -","- Cu O4 Rh2 -","- Cu4 O16 Rh8 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","2.12","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006192","19.903","0.006","13.757","0.005","10.966","0.004","90","","90.39","0.02","90","","3002.5","1.8","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","Asperchrome A","","","- C41 H92 Fe N9 O30 -","- C41 H92 Fe N9 O30 -","- C82 H184 Fe2 N18 O60 -","2","1","BS1004","Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick","6-<small>L</small>-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus <i>Aspergillus ochraceous</i>","Acta Crystallographica Section C","1997","53","6","716","718","10.1107/S0108270196015909","","","0.71073","MoKα","","0.0783","0.0648","","0.183","0.1628","","","","1.061","1.079","1.079","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2006193","19.244","0.003","8.882","0.001","9.736","0.002","90","","103.99","0.01","90","","1614.8","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ferrocenylbenzonitrile","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0527","0.0367","","0.1068","0.0919","","","","1.063","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006194","12.328","0.003","19.923","0.005","7.71","0.002","90","","96.63","0.02","90","","1881","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferrocenylphenanthrenecarbonitrile","","","- C26 H19 Fe N -","- C26 H19 Fe N -","- C104 H76 Fe4 N4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0992","0.0501","","0.1294","0.1007","","","","1.027","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006195","7.39","0.001","12.49","0.002","19.223","0.003","90","","91.75","0.01","90","","1773.5","0.5","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","BS1017","Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon","4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}","Acta Crystallographica Section C","1997","53","6","746","748","10.1107/S0108270197001418","","","0.71069","MoKα","","0.1305","0.0605","","0.0617","0.0539","","","","","1.517","1.517","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006196","11.364","0.003","11.372","0.003","11.668","0.004","76.13","0.02","89.66","0.03","65.21","0.02","1321.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dichloro-tetrabiphenylcarboxylate-dirhenium","Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate","","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","1","0.5","BS1024","Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong","Tetrakis(μ-2-biphenylcarboxylato-<i>O</i>:<i>O</i>')bis[chlororhenium(III)] Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","6","714","716","10.1107/S0108270197001480","","","1.54184","CuKα","","0.0338","0.0314","","0.0842","0.0826","","","","1.079","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006198","16.179","0.002","10.992","0.002","16.695","0.002","90","","106.42","0.01","90","","2847.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,6,10,12-tetraphenyl-1,3-dithia-7,9-dioxacyclododecane","","- C32 H32 O2 S2 -","- C32 H32 O2 S2 -","- C128 H128 O8 S8 -","4","1","CF1105","Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio","4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane","Acta Crystallographica Section C","1997","53","6","816","818","10.1107/S0108270197000759","","","0.71069","MoKα","","0.1996","0.0457","","0.1828","0.1363","","","","0.684","0.807","0.807","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006199","8.002","0.005","12.286","0.002","17.38","0.004","90","","91.1","0.02","90","","1708.4","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-oxo-2-phenoxy-1,3,8,10-tetraaza-2λ^5^- phosphatricyclo[8.4.0.0^3,8^]tetradecane-2-sulfide","","- C15 H21 N4 O2 P S -","- C15 H21 N4 O2 P S -","- C60 H84 N16 O8 P4 S4 -","4","1","CF1146","Engelhardt, Udo; Rosefid, Mehdi","A Tricyclic Phosphorus(V)‒Hydrazine System with Twist Conformation of the Central Heterocycle","Acta Crystallographica Section C","1997","53","6","773","775","10.1107/S0108270196014898","","","0.71069","MoKα","","0.067","0.048","","0.03","0.029","","","","2.48","2.8","2.8","","","","","has coordinates","190439","2020-10-21","18:00:00",""
"2006200","11.344","0.001","7.437","0.001","15.542","0.002","90","","108.39","0.01","90","","1244.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0414","0.0288","","0.075","0.0721","","","","0.933","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006201","11.249","0.001","7.421","0.001","15.867","0.002","90","","107.56","0.01","90","","1262.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0455","0.0347","","0.1011","0.0977","","","","1.049","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006202","9.193","0.0004","9.9973","0.0009","11.1516","0.0008","90","","90","","90","","1024.89","0.13","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo8 O14 Sm -","- Mo8 O14 Sm -","- Mo32 O56 Sm4 -","4","","DU1168","Tortelier, J.; Gougeon, P.","SmMo~8~O~14~","Acta Crystallographica Section C","1997","53","6","668","671","10.1107/S0108270196015533","","","0.71073","MoKα","","0.0232","0.0202","","0.046","0.0453","","","","1.285","1.299","1.299","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006203","12.5928","0.0007","10.6943","0.001","16.0674","0.0005","90","","93.168","0.003","90","","2160.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5,7-dichlorokynurenic acid hydrate","4-oxo-1,4-dihydro-5,7-dichloroquinoline-2-carboxylic acid hydrate","","- C10 H7 Cl2 N O4 -","- C10 H7 Cl2 N O4 -","- C80 H56 Cl16 N8 O32 -","8","1","FG1216","Kubicki, Maciej; Bassyouni, Hanan A.R.; Codding, Penelope W.","5,7-Dichlorokynurenic Acid Hydrate, an Antagonist for the Glycine Binding Site on the NMDA Receptor","Acta Crystallographica Section C","1997","53","6","739","742","10.1107/S010827019700005X","","","1.54178","CuKα","","0.0483","0.0406","","0.14","0.1123","","","","1.229","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006204","14.814","0.003","12.372","0.002","14.306","0.002","90","","91.08","0.01","90","","2621.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate","","- C22 H28 Cl2 N4 O8 Pd -","- C22 H28 Cl2 N4 O8 Pd -","- C88 H112 Cl8 N16 O32 Pd4 -","4","0.5","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.0429","0.0364","","0.1206","0.1144","","","","1.054","1.098","1.098","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006205","9.233","0.002","12.271","0.003","12.627","0.003","90","","95.58","0.03","90","","1423.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(2,2'-dipyridylmethanediol-N,N')gold(III) Chloride","","- C11 H10 Au Cl3 N2 O2 -","- C11 H10 Au Cl3 N2 O2 -","- C44 H40 Au4 Cl12 N8 O8 -","4","1","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.046","0.0365","","0.0938","0.0898","","","","1.008","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006206","11.4438","0.0012","9.5077","0.001","21.497","0.003","90","","98.245","0.01","90","","2314.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","7,8-Bis(2-pyridiniumthio)-7,8-dicarba-nido-undecaborate trifluoromethanesulfonate","","- C13 H20 B9 F3 N2 O3 S3 -","- C13 H20 B9 F3 N2 O3 S3 -","- C52 H80 B36 F12 N8 O12 S12 -","4","1","FG1234","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","7,8-Bis(pyridinium-2-ylthio)-7,8-dicarba-<i>nido</i>-undecaborate Trifluoromethanesulfonate","Acta Crystallographica Section C","1997","53","6","767","768","10.1107/S0108270197002497","","","0.71073","MoKα","","0.0664","0.0349","","0.0807","0.0737","","","","0.872","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006207","10.646","0.003","11.286","0.003","14.205","0.004","78.2","0.02","80.64","0.02","71.77","0.02","1577.9","0.8","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","2,13-dithia[3]orthocyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","2","FG1236","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]orthocyclo[3](2,3)naphthalenophane","Acta Crystallographica Section C","1997","53","6","786","787","10.1107/S0108270197000061","","","0.71073","MoKα","","0.0594","0.0397","","0.1072","0.0916","","","","1.053","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006208","7.7374","0.0013","8.5142","0.0014","9.0238","0.0009","65.777","0.012","69.777","0.011","83.54","0.013","508.41","0.14","288","1","288","1","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CopperKα","","0.0395","0.0387","","0.1037","0.1029","","","","1.045","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006209","7.6925","0.0014","8.471","0.002","8.9387","0.0008","65.93","0.015","69.87","0.012","83.86","0.02","498.96","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CuKα","","0.0306","0.03","","0.0817","0.0811","","","","1.079","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006210","11.0105","0.0011","8.6361","0.0011","21.645","0.002","90","","90.105","0.008","90","","2058.2","0.4","288","1","288","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.1197","0.0523","","0.1665","0.1362","","","","0.999","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006211","10.975","0.002","8.69","0.002","21.144","0.004","90","","90.607","0.014","90","","2016.4","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.0837","0.045","","0.1482","0.1172","","","","1.06","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006212","7.0923","0.0002","23.1347","0.0005","15.1181","0.0003","90","","94.297","0.001","90","","2473.58","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H50 N2 O20 -","- C51 H50 N2 O20 -","- C102 H100 N4 O40 -","2","1","FG1246","Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.","2,3-Di-<i>O</i>-benzoyl-1-<i>O</i>-<i>p</i>-nitrophenyl-6-<i>O</i>-pivaloyl-4-<i>O</i>-(3',4',6'-tri-<i>O</i>-acetyl-2'-deoxy-2'-<i>N</i>-phthalimido-β-<small>D</small>-1'-glucopyranosyl)-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","6","742","744","10.1107/S0108270197000097","","","0.71073","MoKα","","0.0602","0.045","","0.1201","0.1028","","","","1.044","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006213","9.595","0.005","14.008","0.004","9.413","0.005","93.53","0.03","117.14","0.04","85.03","0.03","1121.3","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cl5 Cu N3 -","- C19 H22 Cl5 Cu N3 -","- C38 H44 Cl10 Cu2 N6 -","2","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.0834","0.0572","","0.0942","0.0747","","","","1.89","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006214","7.04","0.001","23.282","0.003","13.73","0.001","90","","91.11","0.01","90","","2250","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl5 Co N3 -","- C19 H22 Cl5 Co N3 -","- C76 H88 Cl20 Co4 N12 -","4","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.1134","0.0566","","0.1568","0.0809","","","","2.31","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006215","9.17","0.003","15.54","0.007","9.339","0.002","90","","99.14","0.02","90","","1313.9","0.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 S2 Zn -","- C8 H18 Cl2 S2 Zn -","- C32 H72 Cl8 S8 Zn4 -","4","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","","0.027","","","0.022","","","","","1.403","1.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006216","12.325","0.002","13.196","0.002","8.535","0.001","107.69","0.01","92.31","0.01","98.63","0.01","1302.1","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl2 S2 Zn -","- C8 H16 Cl2 S2 Zn -","- C32 H64 Cl8 S8 Zn4 -","4","2","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.082","0.029","","0.214","0.06","","","","0.999","0.998","0.998","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006217","7.513","0.006","12.044","0.007","7.47","0.004","95.15","0.02","93.67","0.03","103.66","0.04","651.6","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl2 S2 Zn -","- C9 H14 Cl2 S2 Zn -","- C18 H28 Cl4 S4 Zn2 -","2","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.079","0.038","","0.109","0.09","","","","1.047","1.085","1.085","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006218","14.355","0.002","7.836","0.002","20.353","0.002","90","","106.74","0.01","90","","2192.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Cl5 Cu N3 -","- C16 H22 Cl5 Cu N3 -","- C64 H88 Cl20 Cu4 N12 -","4","1","FG1261","Parvez, Masood; Sabir, Aaliya P.","Chloropyramine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","678","679","10.1107/S0108270197002060","","","0.71069","MoKα","","0.255","0.041","","0.212","0.099","","","","0.933","0.907","0.907","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006219","10.106","0.004","11.8","0.005","18.301","0.004","90","","94.42","0.02","90","","2175.9","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl4 Cu N2 -","- C19 H24 Cl4 Cu N2 -","- C76 H96 Cl16 Cu4 N8 -","4","1","FG1262","Parvez, Masood; Sabir, Aaliya P.","Triprolidine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","679","681","10.1107/S0108270197002072","","","0.71069","MoKα","","0.185","0.041","","0.193","0.092","","","","1.015","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006220","5.7618","0.0006","14.4939","0.0018","14.5031","0.0018","90","","90","","90","","1211.2","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thieno[2,3-c]pyridine","","- C7 H5 N S -","- C7 H5 N S -","- C56 H40 N8 S8 -","8","1","FG1264","Nerenz, Heiko; Grahn, Walter; Jones, Peter G.","Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine","Acta Crystallographica Section C","1997","53","6","787","789","10.1107/S0108270197002084","","","0.71073","MoKα","","0.0329","0.0263","","0.0776","0.0756","","","","1.06","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006221","8.939","0.002","9.36","0.002","11.438","0.002","90","","90","","90","","957","0.3","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxalyl chloride dimesylamide","","- C4 H6 Cl N O6 S2 -","- C4 H6 Cl N O6 S2 -","- C16 H24 Cl4 N4 O24 S8 -","4","1","FG1267","Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide","Acta Crystallographica Section C","1997","53","6","781","783","10.1107/S0108270197002096","","","0.71073","MoKα","","0.0208","0.0201","","0.0575","0.0526","","","","1.073","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006222","9.1599","0.0013","9.1599","0.0013","5.445","0.003","90","","90","","120","","395.6","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","2,4,6-Tris(diazo)-cyclohexane-1,3,5-trione","","- C6 N6 O3 -","- C6 N6 O3 -","- C12 N12 O6 -","2","0.166667","FG1274","Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning","2,4,6-Tris(diazo)cyclohexane-1,3,5-trione","Acta Crystallographica Section C","1997","53","6","783","786","10.1107/S0108270197002114","","","0.71073","MoKα","","0.0306","0.0291","","0.0933","0.0885","","","","1.184","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006223","5.0997","0.0009","9.174","0.001","28.375","0.005","90","","90","","90","","1327.5","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-diaziridinyl-3-phenylquinone","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HA1183","Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T.","2,5-Diaziridinyl-3-phenyl-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1997","53","6","749","751","10.1107/S0108270197001224","","","1.54178","CuKα","","0.0759","0.0451","","0.1226","0.1094","","","","0.861","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006224","6.212","0.001","10.162","0.005","27.589","0.006","90","","90","","90","","1741.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0422","0.0366","","0.1156","0.0996","","","","1.047","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006225","6.257","0.001","15.137","0.003","9.819","0.002","90","","96.56","0.02","90","","923.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 Cl O4 -","- C19 H31 Cl O4 -","- C38 H62 Cl2 O8 -","2","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0336","0.0316","","0.0801","0.0775","","","","1.057","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006226","8.96","0.004","20.536","0.011","8.146","0.004","90","","102.97","0.04","90","","1460.6","1.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium hydrogen squarate","","","- C5 H7 N3 O4 -","- C5 H7 N3 O4 -","- C40 H56 N24 O32 -","8","2","JZ1154","Tsonko Kolev; Hans Preut; Paul Bleckmann; Valentina Radomirska","Guanidinium Hydrogen Squarate","Acta Crystallographica Section C","1997","53","6","805","807","10.1107/S0108270197001182","","","0.71073","MoKα","","0.0848","0.0562","","0.1983","0.1528","","","","0.988","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006227","8.9054","0.0013","8.9054","0.0013","37.978","0.008","90","","90","","90","","3011.9","0.9","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H50 Cl2 Pd2 -","- C30 H50 Cl2 Pd2 -","- C120 H200 Cl8 Pd8 -","4","0.5","","Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux","Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1997","53","","710","712","","","","","","","","0.0738","","","0.153","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006228","5.6211","0.0009","7.356","0.001","18.144","0.003","98.956","0.009","97.03","0.01","99.326","0.009","722.9","0.2","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br N2 O3 S -","- C15 H9 Br N2 O3 S -","- C30 H18 Br2 N4 O6 S2 -","2","1","JZ1178","Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D.","1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone","Acta Crystallographica Section C","1997","53","6","801","803","10.1107/S0108270197000656","","","0.7107","MoKα","","","0.0317","","","0.0375","","","","","1.766","1.766","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006229","28.663","0.0007","28.663","0.0007","7.25719","0.0001","90","","90","","90","","5962.3","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer","","- C64 H64 Cu4 N8 O12 -","- C64 H64 Cu4 N8 O12 -","- C256 H256 Cu16 N32 O48 -","4","0.25","JZ1191","Warda, Salam A.","A (4-Ethylpyridine)(<i>N</i>-salicylideneglycinato)copper(II) Tetramer","Acta Crystallographica Section C","1997","53","6","697","699","10.1107/S0108270197002692","","","1.54178","CuKα","","0.0475","0.0435","","0.1254","0.1225","","","","1.124","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006230","13.8156","0.0012","6.947","0.002","12.4225","0.0014","90","","111.66","0.01","90","","1108.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 3-Dithiocarboxy-3-Aza-5-Amino Pentanoate Dihydrate","","- C5 H13 K N2 O4 S2 -","- C5 H12 K N2 O4 S2 -","- C20 H48 K4 N8 O16 S8 -","4","1","KA1221","Bogdan Prelesnik; Katarina Andjelković; Zorica Marković; Tibor Sabo; Srećko Trifunović","Potassium 3-Dithiocarboxy-3-aza-5-aminopentanoate Dihydrate","Acta Crystallographica Section C","1997","53","6","719","720","10.1107/S0108270197001650","","","0.71073","MoKα","","","0.039","","","0.041","","","","","0.957","0.957","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006231","9.2523","0.0007","30.116","0.001","10.2195","0.0007","90","","95.203","0.003","90","","2835.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate","","- C27 H48 N2 O2 S2 -","- C27 H48 N2 O2 S2 -","- C108 H192 N8 O8 S8 -","4","1","KH1126","Ng, Seik Weng","Dicyclohexylammonium (<i>N</i>,<i>N</i>-Dicyclohexylthiocarbamoylthio)acetate","Acta Crystallographica Section C","1997","53","6","779","781","10.1107/S0108270197000644","","","0.71073","MoKα","","0.0646","0.0453","","0.1249","0.115","","","","1.04","1.135","1.135","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006232","6.797","0.002","13.558","0.006","7.217","0.002","90","","96.58","0.03","90","","660.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyanamidonitrate)bis(imidazole) copper(II) complex, C~8~H~8~N~10~O~4~Cu~1~","","- C8 H8 Cu N10 O4 -","- C8 H8 Cu N10 O4 -","- C16 H16 Cu2 N20 O8 -","2","0.5","MU1302","Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger","<i>trans</i>-Bis(cyanamidonitrato-<i>N</i>:<i>O</i>)bis(imidazole-<i>N</i>^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~]","Acta Crystallographica Section C","1997","53","6","703","705","10.1107/S010827019700111X","","","0.71073","MoKα","","0.0706","0.0359","","0.102","0.0963","","","","0.975","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006233","7.4538","0.0006","12.563","0.002","12.983","0.001","90","","90","","90","","1215.8","0.2","297","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","MU1303","Elmali, Ayhan; Elerman, Yalc̨in","2-[(2-Iodophenyl)iminomethyl]phenol","Acta Crystallographica Section C","1997","53","6","791","793","10.1107/S0108270197000619","","","0.71069","MoKα","","0.0235","0.0217","","0.0589","0.0577","","","","1.093","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006234","9.722","0.003","7.475","0.002","20.255","0.005","90","","99.75","0.01","90","","1450.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","onysilin","2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","MU1306","Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy","2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one (Onysilin)","Acta Crystallographica Section C","1997","53","6","734","736","10.1107/S0108270197001121","","","0.71073","MoKα","","0.0698","0.0517","","0.1655","0.1516","","","","1.086","1.202","1.202","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006235","10.75","0.002","26.735","0.006","10.533","0.001","90","","90","","90","","3027.2","0.9","293","","20","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O11 -","- C31 H50 O11 -","- C124 H200 O44 -","4","1","NA1249","Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie","A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i>","Acta Crystallographica Section C","1997","53","6","814","816","10.1107/S0108270196013637","","","0.7107","MoKα","","0.0679","0.0465","","0.137","0.0614","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006236","10.838","0.001","9.347","0.001","13.456","0.001","90","","92.3","0.01","90","","1362","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-5,6-diacetoxy-4-(t-butyldiphenylsilyloxy)-3-hydroxy -4-methylhex-1-en","","- C27 H36 O6 Si -","- C27 H36 O6 Si -","- C54 H72 O12 Si2 -","2","1","NA1274","Lewinski, Krzysztof","(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-(<i>tert</i>-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate","Acta Crystallographica Section C","1997","53","6","753","755","10.1107/S0108270197000498","","","0.71069","MoKα","","0.0345","0.0317","","0.0869","0.0856","","","","1.021","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006237","11.3664","0.0002","8.8648","0.0002","5.72","0.0001","90","","90","","90","","576.352","0.019","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","catena-Cyclopentadienylcesium","","","- C5 H5 Cs -","- C5 H5 Cs -","- C20 H20 Cs4 -","4","0.5","NA1280","Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele","Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","6","699","701","10.1107/S0108270197001984","","","0.69006","Synchrotron","","0.0545","0.0545","","","0.0746","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006238","25.31","0.01","9.242","0.002","23.006","0.002","90","0.01","117.58","0.02","90","0.02","4770","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(propionato)[tetra(p-chlorophenyl)porphryinatotin(IV) Dichloromethane solvate","","- C51 H36 Cl6 N4 O4 Sn -","- C51 H34 Cl6 N4 O4 Sn -","- C204 H136 Cl24 N16 O16 Sn4 -","4","0.5","NA1286","Belcher, Warwick J.; Brothers, Penelope J.; Rickard, Clifton E. F.","Bis(propionato-<i>O</i>)[5,10,15,20-tetra(<i>p</i>-chlorophenyl)porphyrinato-κ^4^<i>N</i>]tin(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1997","53","6","725","726","10.1107/S0108270197002333","","","0.71069","MoKα","","0.1011","0.0482","","0.1375","0.1127","","","","1.063","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006239","8.284","0.001","8.284","0.001","12.092","0.002","90","","90","","90","","829.8","0.2","297","","297","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au2 Cs2 I6 -","- Au2 Cs2 I6 -","- Au4 Cs4 I12 -","2","0.0625","OA1010","Matsushita, Nobuyuki; Kitagawa, Hiroshi; Kojima, Norimichi","A Three-Dimensional Iodo-Bridged Mixed-Valence Gold(I, III) Compound, Cs~2~Au^I^Au^III^I~6~","Acta Crystallographica Section C","1997","53","6","663","666","10.1107/S0108270197000279","","","0.71069","MoKα","","","0.0698","","","0.0851","","","","","2.66","2.66","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2006240","15.866","0.002","17.32","0.002","10.3158","0.0009","90","","90","","90","","2834.8","0.5","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O7 -","- C31 H46 O7 -","- C124 H184 O28 -","4","1","OA1013","Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji","A 1:1 Deoxycholic Acid‒Salicylic Acid Complex","Acta Crystallographica Section C","1997","53","6","803","805","10.1107/S0108270197000899","","","1.5418","CuKα","","","0.0413","","","0.0444","","","","","1.867","1.867","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006241","8.307","0.002","6.7435","0.0009","10.102","0.002","90","","118.576","0.006","90","","496.96","0.17","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H12 N2 O6 V -","- C6 H10 N2 O6 V -","- C12 H20 N4 O12 V2 -","2","1","OA1014","Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto","Aqua(ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-<i>O</i>,<i>O</i>')oxovanadium(IV)","Acta Crystallographica Section C","1997","53","6","672","673","10.1107/S0108270197000231","","","0.7107","MoKα","","","0.0309","","","0.045","","","","","1.417","1.417","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006242","17.329","0.005","13.631","0.003","6.943","0.002","90","","101.4","0.01","90","","1607.7","0.7","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N2 Na O10 V -","- C10 H21 N2 Na O10 V -","- C40 H84 N8 Na4 O40 V4 -","4","1","OA1015","Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto","Sodium (<i>N</i>-Ethylethylenediamine-<i>N</i>,<i>N</i>',<i>N</i>'-triacetato)oxovanadium(IV) Trihydrate","Acta Crystallographica Section C","1997","53","6","673","675","10.1107/S0108270197000243","","","0.7107","MoKα","","","0.0381","","","0.0617","","","","","1.398","1.398","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006243","13.476","0.002","14.04","0.001","10.3145","0.0009","103.953","0.008","105.2","0.008","67.291","0.008","1715.7","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","2,2-diphenyl-1,3,6,9-tetraoxacycloundecane","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","OA1021","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane","Acta Crystallographica Section C","1997","53","6","759","761","10.1107/S0108270197000905","","","1.5418","CuKα","","","0.046","","","0.049","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006244","6.286","0.003","12.033","0.005","24.523","0.014","90","","95.31","0.04","90","","1846.9","1.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methylbenzothiazolinospiro-2,3'-(2-methyl-[3H]phenanthr[9,10-b][1,4]oxazine)","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0545","","","0.057","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006245","10.237","0.003","13.364","0.007","12.296","0.007","90","","102.16","0.03","90","","1644.4","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylbenzothiazolinospiro-2,3'-(2'-methyl-[3H]naphth[2,1-b][1,4]oxazine)","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0462","","","0.0541","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006246","19.133","0.002","10.2247","0.001","20.0835","0.0014","90","","107.55","0.02","90","","3746","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,5,6,7,8,9-Hexamethoxy-indeno[1,2,3-ij]isoquinoline","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C168 H168 N8 O48 -","8","1","QA0003","Scherowsky, Günter; Frackowiak, Esther; Adam, David","4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-<i>ij</i>]isoquinoline","Acta Crystallographica Section C","1997","53","6","IUC9700005","","10.1107/S0108270197007695","","","0.71073","MoKα","","0.1498","0.0691","","0.2177","0.1663","","","","1.191","1.319","1.319","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006247","9.356","0.002","9.609","0.002","20.529","0.004","92.16","0.03","92.81","0.03","98.73","0.03","1820.1","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","bis(triphenylphosphine)palladium bromide","trans-dibromobis(triphenylphosphine)palladium(II)","","- C40 H38 Br2 O P2 Pd -","- C40 H38 Br2 O P2 Pd -","- C80 H76 Br4 O2 P4 Pd2 -","2","1","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0592","0.047","","0.1418","0.1316","","","","1.051","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006248","7.88","0.002","11.201","0.002","12.043","0.002","89.19","0.03","76.76","0.03","74.65","0.03","996.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","Bis(triphenylphosphine)palladium chloride","trans-dichlorobis-(triphenylphosphine)palladium(II)","","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","1","0.5","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0579","0.0525","","0.1399","0.1353","","","","1.032","1.047","1.047","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006249","13.602","0.004","14.924","0.005","22.77","0.006","90","","105.76","0.02","90","","4448","2","299","2","299","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-dimethyl-1-tert-butyl-2,2,2-triphenyldisilane","","- C24 H30 Si2 -","- C24 H30 Si2 -","- C192 H240 Si16 -","8","1","QB0006","Stark, Joseph L.; Whitmire, Kenton H.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","0.71073","MoKα","","0.0946","0.0614","","0.2228","0.1781","","","","0.821","0.806","0.806","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006250","25.977","0.003","25.978","0.007","9.437","0.004","90","","90","","90","","6368","3","293","","293","2","","","","","","","","4","I -4","I -4","82","","[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yl- oxy)silane","","- C33 H48 O Si2 -","- C33 H48 O Si2 -","- C264 H384 O8 Si16 -","8","1","QB0006","Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","1.54178","CopperKα","","0.1514","0.0797","","0.2631","0.19","","","","1.009","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006251","7.29","0.003","7.926","0.003","14.654","0.004","90","","92.94","0.07","90","","845.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","α-PNM","4'-nitrophenyl-α-D-mannopyranoside","","- C14 H21 N O9 -","- C14.02 H15 N O9.01 -","- C28.04 H30 N2 O18.02 -","2","1","SK1000","Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Ethanol Solvate","Acta Crystallographica Section C","1997","53","6","811","814","10.1107/S0108270196015776","","","1.5418","CuKα","","0.0682","0.0647","","0.1767","0.1702","","","","1.084","1.087","1.087","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006252","8.384","0.002","10.898","0.002","14.822","0.005","90","","92.76","0.02","90","","1352.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.1569","0.0397","","0.1206","0.0859","","","","1.005","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006253","20.226","0.004","6.971","0.003","20.061","0.004","90","","109.64","0.02","90","","2664","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.0711","0.0374","","0.1126","0.0992","","","","1.057","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006254","16.698","0.002","7.0361","0.0005","9.7093","0.0013","90","","108.754","0.011","90","","1080.2","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","His-Gly hydrochloride","L-Histidyl-glycinium Chloride","","- C8 H13 Cl N4 O3 -","- C8 H13 Cl N4 O3 -","- C32 H52 Cl4 N16 O12 -","4","1","SX1019","Steiner, Thomas","<small>L</small>-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","6","730","732","10.1107/S0108270197000590","","","1.54176","CuKα","","0.0333","0.0318","","0.0864","0.0854","","","","1.072","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006255","7.313","0.003","7.122","0.002","7.0719","0.0015","90","","94","0.03","90","","367.4","0.2","158","2","158","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-Methylmorpholinium chloride","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C10 H24 Cl2 N2 O2 -","2","0.5","TA1080","Turnbull, Mark M.","<i>N</i>-Methylmorpholinium Chloride","Acta Crystallographica Section C","1997","53","6","818","820","10.1107/S0108270197002710","","","0.71073","MoKα","","0.0329","0.0293","","0.0823","0.0812","","","","1.059","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006256","11.81","0.001","13.8044","0.0007","8.925","0.001","90","","101.32","0.008","90","","1426.7","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxybenzylideneisonicotinoylhydrazone","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","TA1119","Chen, Wei; Zhang, X.; Shan, B.; You, X.","3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","6","775","777","10.1107/S0108270197000516","","","0.71073","MoKα","","0.0955","0.0595","","0.1405","0.1265","","","","0.973","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006257","13.731","0.001","10.294","0.001","17.23","0.001","90","","103.06","0.01","90","","2372.4","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N3 S6 V -","- C15 H30 N3 S6 V -","- C60 H120 N12 S24 V4 -","4","1","TA1121","Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III)","Acta Crystallographica Section C","1997","53","6","692","693","10.1107/S0108270196015065","","","0.71073","MoKα","","","0.0393","","","0.0456","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006258","8.9289","0.0006","8.9289","0.0006","11.3327","0.0007","90","","90","","120","","782.46","0.09","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Tris(ethylenediamine)zinc(II) Nitrate","","- C6 H24 N8 O6 Zn -","- C6 H24 N8 O6 Zn -","- C12 H48 N16 O12 Zn2 -","2","0.166667","TA1128","Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L.","Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate","Acta Crystallographica Section C","1997","53","6","701","703","10.1107/S0108270197001996","","","0.71069","MoKα","","0.0253","0.0246","","0.059","0.0584","","","","1.209","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006259","7.094","0.001","13.77","0.003","12.648","0.002","90","","90.57","0.02","90","","1235.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hexaamminecobalt(III) thiosulfate monohydrate","hexaamminecobalt(III) thiosulfate chloride monohydrate","","- Cl Co H20 N6 O4 S2 -","- Cl Co H20 N6 O4 S2 -","- Cl4 Co4 H80 N24 O16 S8 -","4","1","TA1152","Sobolev, Alexander N.; Figgis, Brian N.","Hexaamminecobalt(III) Thiosulfate Chloride Monohydrate","Acta Crystallographica Section C","1997","53","6","661","663","10.1107/S0108270197002722","","","0.71069","MoKα","","0.046","0.0322","","0.0816","0.0736","","","","1.078","1.102","1.102","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006260","12.868","0.001","14.951","0.001","20.436","0.001","90","","105.58","0.01","90","","3787.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 S -","- C21 H17 N O5 S -","- C168 H136 N8 O40 S8 -","8","2","VJ1042","Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","4-Hydroxy-6-methoxy-9-phenylsulfonylcarbazol-3-yl Methyl Ketone","Acta Crystallographica Section C","1997","53","6","771","773","10.1107/S0108270196015624","","","0.71073","MoKα","","0.0746","0.0457","","0.1332","0.1149","","","","1.071","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006261","8.4247","0.0007","9.482","0.001","10.634","0.001","93.565","0.01","104.462","0.009","101.452","0.008","800.57","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim nitrate","[2,4,-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] nitrate.","","- C14 H19 N5 O6 -","- C14 H19 N5 O6 -","- C28 H38 N10 O12 -","2","1","VJ1045","Murugesan, S.; Thomas Muthiah, P.","Hydrogen-Bonding Patterns in Trimethoprim Nitrate, an Antifolate Drug","Acta Crystallographica Section C","1997","53","6","763","764","10.1107/S0108270196015636","","","0.7093","MoKα","","0.0671","0.0503","","0.1297","0.1219","","","","1.134","1.217","1.217","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006262","9.89","0.003","14.122","0.003","11.856","0.003","90","","98.04","0.02","90","","1639.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-phenylsulfonyl-3(2-propenyl)chroman-4-one","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","VJ1050","Sriram, D.; Srinivasan, S.; Santhosh, K.C.","3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one","Acta Crystallographica Section C","1997","53","6","793","794","10.1107/S0108270197001261","","","0.71073","MoKα","","0.0591","0.0502","","0.1337","0.1274","","","","1.088","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006263","8.3549","0.0011","9.1092","0.0014","10.29","0.002","64.196","0.016","77.525","0.014","82.951","0.011","688","0.2","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","1","0.5","AB1440","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane","Acta Crystallographica Section C","1997","53","7","886","888","10.1107/S010827019700067X","","","0.71073","MoKα","","0.0396","0.0312","","0.0689","0.0631","","","","1.156","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006264","8.754","0.002","15.055","0.003","26.742","0.005","90","","90","","90","","3524.4","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid","","- C17 H14 B Cl F N O7 -","- C17 H14 B Cl F N O7 -","- C136 H112 B8 Cl8 F8 N8 O56 -","8","1","AB1445","Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin","Boron Complex of a Member of the Quinolone Family","Acta Crystallographica Section C","1997","53","7","942","943","10.1107/S0108270197003491","","","0.71073","MoKα","","0.1014","0.0534","","0.1395","0.1128","","","","1.076","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006265","40.266","0.014","7.044","0.0013","7.1203","0.0013","90","","90","","90","","2019.6","0.9","294","1","294","1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","0.5","AB1460","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand","Acta Crystallographica Section C","1997","53","7","888","890","10.1107/S0108270197002035","","","0.7107","MoKα","","0.0973","0.052","","0.1436","0.127","","","","0.94","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006266","9.2739","0.0013","16.682","0.002","14.69","0.002","90","","90","","90","","2272.6","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate","","- C7 H13 N5 O6 -","- C7 H13 N5 O6 -","- C56 H104 N40 O48 -","8","1","AB1473","Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine‒Water (1/2)","Acta Crystallographica Section C","1997","53","7","890","892","10.1107/S0108270197003934","","","0.7107","MolybdenumKα","","0.121","0.0482","","0.1205","0.1043","","","","0.889","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006267","10.6524","0.0012","10.6524","0.0012","25.548","0.004","90","","90","","90","","2899","0.6","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","0.5","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","0.7093","MolybdenumKα","","0.047","0.047","","0.027","0.027","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006268","13.453","0.003","10.1847","0.0016","10.2639","0.0018","90","","101.012","0.017","90","","1380.4","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","1","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","1.54056","CopperKα","","0.08","0.08","","0.067","0.067","","","","","7.32","7.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006269","9.51","0.002","13.75","0.003","13.41","0.002","90","","107.58","0.01","90","","1671.6","0.6","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-dimethyl-2(3H)-imidazoleselone]dichlorocobalt(II)","","- C10 H16 Cl2 Co N4 Se2 -","- C10 H16 Cl2 Co N4 Se2 -","- C40 H64 Cl8 Co4 N16 Se8 -","4","1","BK1302","Williams, Daniel J.; Jones, Timothy A.; Rice, Edward D.; Davis, Kerri J.; Ritchie, John A.; Pennington, William T.; Schimek, George L.","Dichlorobis[1,3-dimethylimidazole-2(3<i>H</i>)selone-<i>Se</i>]cobalt(II)","Acta Crystallographica Section C","1997","53","7","837","838","10.1107/S0108270196013947","","","0.71073","MoKα","","0.0626","0.0333","","0.0431","0.0398","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006270","17.762","0.002","6.7914","0.0008","8.5267","0.0011","90","","90","","90","","1028.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","0.5","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.0855","0.0551","","0.1581","0.1395","","","","1.04","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006271","6.675","0.006","20.767","0.019","7.109","0.007","90","","106.08","0.06","90","","946.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.1438","0.065","","0.1473","0.1138","","","","1.051","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006272","11.188","0.001","4.746","0.001","23.012","0.002","90","0.01","92.05","0.01","90","0.01","1221.1","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","2-(2-thienylmethylidenehydrazino)quinoline","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.084","0.039","","","0.048","","","","","1.45","1.45","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006273","9.8543","0.0007","9.854","0.002","28.457","0.004","90","0.01","90","0.009","90","0.009","2763.3","0.7","293","","293","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","2-(methyl(2-thienyl)methylidenehydrazino)quinoline","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.119","0.037","","","0.043","","","","","1.242","1.242","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006274","9.585","0.0007","9.585","0.001","29.939","0.004","90","0.01","90","0.008","90","0.008","2750.6","0.5","293","","293","","","","","","","","","5","P 41 21 2","P 43n 2nw","","","2-(5-bromothien-2-ylmethylidenehydrazono)quinoline","","- C14 H10 Br N3 S -","- C14 H10 Br N3 S -","- C112 H80 Br8 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.065","0.026","","","0.033","","","","","1.06","1.06","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006275","4.6689","0.0008","11.603","0.001","23.744","0.002","90","0.008","90","0.01","90","0.01","1286.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C56 H40 Cl4 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.041","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006276","6.904","0.003","8.431","0.003","9.555","0.006","111.21","0.04","92.02","0.04","107.74","0.04","487.2","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C18 H20 N8 O2 -","2","1","BM1034","Cunningham, Ian D.; Wan, Nan Chi; Povey, David C.; Smith, Gallienus W.; Cox, Brian G.","<i>N</i>-Cyano-<i>N</i>'-(4-methoxyphenyl)guanidine","Acta Crystallographica Section C","1997","53","7","984","985","10.1107/S0108270197003065","","","0.71073","MoKα","","","0.058","","","0.076","","","","","1.026","1.026","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006277","8.5261","0.0007","10.012","0.0007","10.2216","0.0014","90","","90","","90","","872.55","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-Boc-amino)acetonitrile","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","BM1121","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","(<i>tert</i>-Butoxycarbonylamino)acetonitrile","Acta Crystallographica Section C","1997","53","7","959","961","10.1107/S0108270197002795","","","1.54178","CuKα","","0.0295","0.0286","","0.0843","0.0831","","","","1.084","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006278","14.397","0.008","7.818","0.004","10.506","0.006","90","","99.7","0.03","90","","1165.6","1.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ibuprofen","2-(4-Isobutylphenyl)propanoic acid","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","BM1126","Shankland, Norman; Wilson, Chick C.; Florence, Alastair J.; Cox, Philip J.","Refinement of Ibuprofen at 100 K by Single-Crystal Pulsed Neutron Diffraction","Acta Crystallographica Section C","1997","53","","951","954","10.1107/S0108270197003193","","","","","","","0.077","","","0.053","","","","","","","","","","","has coordinates","202021","2020-10-21","18:00:00",""
"2006279","9.186","0.002","22.603","0.006","13.685","0.003","90","","101.6","0.01","90","","2783.4","1.1","143","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(η^6^‒toluene)thallium(I)7,8,9,10,11,12-hexabromo-closo-1-carbaun- decaborate","","- C15 H22 B11 Br6 Tl -","- C15 H22 B11 Br6 Tl -","- C60 H88 B44 Br24 Tl4 -","4","1","BM1128","Mathur, Rajeev S.; Drovetskaya, Tatiana; Reed, Christopher A.","Bis(η^6^-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-<i>closo</i>-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal‒Arene Interactions","Acta Crystallographica Section C","1997","53","7","881","883","10.1107/S010827019700320X","","","0.71073","MoKα","","0.0741","0.0439","","0.0923","0.082","","","","0.843","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006280","15.24","0.002","17.22","0.002","7.8492","0.0008","90.236","0.01","104.33","0.01","79.41","0.01","1960","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","2","BM1130","Helliwell, Madeleine; Zhao, Yuekun; Joule, John A.","An Atypical Conformation of a Toluenesulfonamide","Acta Crystallographica Section C","1997","53","7","884","886","10.1107/S0108270197001492","","","0.7107","MoKα","","0.1037","0.0477","","0.0386","0.0343","","","","1.731","2.024","2.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006281","9.616","0.002","10.672","0.002","12.344","0.003","112.87","0.002","100.174","0.003","90.257","0.002","1145.1","0.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","1","0.5","BM1135","Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan; Nazir, Hasan","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}cadmium(II)","Acta Crystallographica Section C","1997","53","7","872","874","10.1107/S0108270197002047","","","0.71073","MoKα","","","0.022","","","0.031","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006282","8.97","0.02","18.89","0.03","8.355","0.008","90","","90","","90","","1416","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetraethyleneneglycol succinate","","- C12 H20 O7 -","- C12 H20 O7 -","- C48 H80 O28 -","4","1","BM1137","Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.","A Cyclic Monomer of Tetraethyleneglycol Succinate","Acta Crystallographica Section C","1997","53","7","940","942","10.1107/S0108270197002928","","","0.71069","MoKα","","0.1552","0.0527","","0.3111","0.1395","","","","1.053","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006283","10.838","0.002","18.347","0.004","8.948","0.001","90","","103.34","0.01","90","","1731.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O2 -","- C19 H21 N2 Ni O2 -","- C76 H84 N8 Ni4 O8 -","4","1","BM1142","Kabak, Mehmet; Elmali, Ayhan; Elerman, Yalçın","[<i>N</i>-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II)","Acta Crystallographica Section C","1997","53","7","868","870","10.1107/S0108270197004174","","","0.71073","MoKα","","0.0497","0.0433","","0.1289","0.1233","","","","0.736","0.759","0.759","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006284","7.389","0.001","16.073","0.003","12.161","0.002","90","","106.1","0.03","90","","1387.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S)-6β-methoxy-20-(p-toluenesulfonoxymethyl)-3α,5- cyclo-5α-pregnane","","- C30 H44 O4 S -","- C30 H44 O4 S -","- C60 H88 O8 S2 -","2","1","BM1146","Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A.","(20<i>S</i>)-6β-Methoxy-20-(<i>p</i>-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane","Acta Crystallographica Section C","1997","53","7","981","982","10.1107/S0108270197003570","","","0.71069","MoKα","","0.0942","0.0395","","0.119","0.0948","","","","1.025","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006285","5.335","0.003","7.144","0.004","12.438","0.004","90","","90","","90","","474.1","0.4","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2 F Na O4 Si -","- Ca1.92 F Na1.08 O4 Si -","- Ca7.68 F4 Na4.32 O16 Si4 -","4","0.5","BR1103","Andaχ c, Ö.; Glasser, F. P.; Howie, R. A.","Dicalcium Sodium Fluoride Silicate","Acta Crystallographica Section C","1997","53","7","831","833","10.1107/S0108270197000449","","","0.71073","MoKα","","","0.047","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006286","18.4783","0.0005","6.5523","0.0002","8.4268","0.0003","90","","91.132","0.002","90","","1020.08","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetramethylammonium trivanadius heptaoxide","","- C4 H12 N O7 V3 -","- C4 N O7 V3 -","- C16 N4 O28 V12 -","4","1","BR1166","Zavalij, Peter Y.; Chirayil, Thomas; Whittingham, M. Stanley","Layered Tetramethylammonium Vanadium Oxide [N(CH~3~)~4~]V~3~O~7~ by X-ray Rietveld Refinement","Acta Crystallographica Section C","1997","53","7","879","881","10.1107/S0108270197000474","","","1.54178","CuKα","","","0.078","","0.094","0.094","","","","","","","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006287","6.661","0.001","13.652","0.002","15.613","0.002","90","","94.281","0.002","90","","1415.8","0.3","15","","15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 D8 S8 -","- C10 D8 S8 -","- C40 D32 S32 -","4","1","BR1170","Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams","Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1997","53","7","961","963","10.1107/S0108270197003077","","neutron","","Pulsedneutron","","","0.062","","","0.058","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006288","7.0565","0.0007","7.0565","0.0007","25.371","0.004","90","","90","","90","","1263.3","0.3","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba3 S7 Zr2 -","- Ba3 S7 Zr2 -","- Ba12 S28 Zr8 -","4","0.25","BR1173","Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn","Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph","Acta Crystallographica Section C","1997","53","7","827","829","10.1107/S0108270197003089","","","0.71073","MoKα","","0.0591","0.0366","","0.0937","0.0846","","","","1.027","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006289","16.1059","0.0004","11.5721","0.0002","17.6135","0.0003","90","","90","","90","","3282.79","0.11","296","","","","","","","","","","","5","P b c a","","","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","CF1145","Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)","Acta Crystallographica Section C","1997","53","7","848","850","10.1107/S010827019700262X","","","0.71073","MoKα","","","0.0343","","","0.0408","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006290","18.848","0.004","14.692","0.003","7.333","0.002","90","","92.58","0.03","90","","2028.6","0.8","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F12 N4 P2 Pt -","- C12 H16 F12 N4 P2 Pt0.5 -","- C48 H64 F48 N16 P8 Pt2 -","4","0.5","CF1148","Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru","π-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]^2+^ as its Hexafluorophosphate Salt","Acta Crystallographica Section C","1997","53","7","838","840","10.1107/S0108270197002618","","","0.71073","MoKα","","","0.0406","","","0.0511","","","","","1.044","1.044","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006291","10.732","0.002","8.945","0.001","10.145","0.001","90","","115.81","0.01","90","","876.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","","- C4 H4 Cl4 O3 -","- C4 H4 Cl4 O3 -","- C16 H16 Cl16 O12 -","4","1","CF1150","Griesbaum, Karl; McCullough, Kevin J.; Perner, Iris; Quinkert, Ralf-Olaf; Rosair, Georgina M.","(<i>E</i>)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","Acta Crystallographica Section C","1997","53","7","911","913","10.1107/S0108270197003661","","","0.71073","MoKα","","0.0487","0.0362","","0.095","0.0873","","","","1.061","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006292","13.301","0.002","32.674","0.006","20.381","0.005","90","","91.29","0.02","90","","8855","3","210","0.2","210","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[N-(2,6-Diisopropylphenyl)imido-N] bis[N-(2,6-Diisopropylphenyl)amido-N] bis(pyridine-N) zirconium","","- C46 H63 N5 Zr -","- C46 H63 N5 Zr -","- C368 H504 N40 Zr8 -","8","2","CF1159","Blake, Alexander J.; Nikonov, Georgii I.; Mountford, Philip","Bis[<i>N</i>-(2,6-diisopropylphenyl)amido][<i>N</i>-(2,6-diisopropylphenyl)imido]bis(pyridine-<i>N</i>)zirconium","Acta Crystallographica Section C","1997","53","7","874","876","10.1107/S0108270197002606","","","0.71073","MoKα","","0.1324","0.0987","","0.1126","0.0981","","","","","1.14","1.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006293","10.161","0.002","15.585","0.003","12.519","0.003","90","","103.95","0.02","90","","1924","0.7","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine","","- C25 H26 N2 -","- C25 H26 N2 -","- C100 H104 N8 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.069","0.047","","0.042","0.041","","","","","4.03","4.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006294","10.196","0.001","15.478","0.001","12.664","0.003","90","","106.36","0.01","90","","1917.6","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1-imino-3-one","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.08","0.043","","0.034","0.033","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006295","15.46","0.007","10.128","0.002","12.68","0.003","90","","101.67","0.02","90","","1944.4","1.1","298","","298","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","0.5","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.068","0.048","","0.042","0.042","","","","","4.7","4.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006296","8.293","0.001","9.589","0.002","22.698","0.004","90","","90","","90","","1805","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-oic acid","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","FG1165","Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo","6α,7β-Dihydroxyvouacapan-17β-oic Acid","Acta Crystallographica Section C","1997","53","7","982","984","10.1107/S0108270196014904","","","0.71073","MoKα","","0.075","0.0492","","0.1581","0.1357","","","","1.216","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006297","19.239","0.003","10.5","0.002","15.696","0.002","90","","90","","90","","3170.7","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)]","","- C24 H28 I4 O4 Ti4 -","- C24 H28 I4 O4 Ti4 -","- C96 H112 I16 O16 Ti16 -","4","1","FG1201","Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.","<i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]","Acta Crystallographica Section C","1997","53","7","843","845","10.1107/S0108270196007524","","","0.71073","MoKα","","0.1167","0.0766","","0.186","0.1578","","","","1.018","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006298","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis(phenyl)-1-carbamoylguanidinium phenylcarbamidonitrilate","","- C22 H21 N7 O2 -","- C22 H21 N7 O2 -","- C44 H42 N14 O4 -","2","1","FG1255","Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang","Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal","Acta Crystallographica Section C","1997","53","7","922","925","10.1107/S0108270197003259","","","0.71073","MoKα","","0.0519","0.0389","","0.1007","0.092","","","","1.062","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006299","17.489","0.01","5.415","0.004","21.805","0.012","90","","95.08","0.02","90","","2057","2","178","2","178","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan- 4-methyl 3'5'-Dintrobenzoate","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","FG1257","Lautens, Mark; Lough, Alan J.; Ren, Yi","(<i>cis</i>-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4-yl)methyl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1997","53","7","936","938","10.1107/S0108270197000917","","","0.71073","MoKα","","0.216","0.076","","0.1038","0.0832","","","","1.141","1.65","1.65","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006300","6.988","0.001","11.254","0.001","11.48","0.002","90","","102.06","0.01","90","","882.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-4-Androsten-3-one-17β-carboxylic Acid","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","FG1258","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid","Acta Crystallographica Section C","1997","53","7","903","906","10.1107/S0108270197002515","","","0.71073","MoKα","","0.088","0.053","","0.13","0.113","","","","1.02","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006301","9.994","0.002","4.798","0.002","24.16","0.003","90","","92.94","0.02","90","","1157","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","benzene-1,3,5-triacetic acid","","","- C12 H12 O6 -","- C12 H12 O6 -","- C48 H48 O24 -","4","1","FG1266","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid","Acta Crystallographica Section C","1997","53","7","967","969","10.1107/S0108270197002886","","","0.71073","MoKα","","","0.057","","","0.093","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006302","7.52","0.003","12.03","0.003","13.789","0.005","73.25","0.03","89.47","0.02","89.82","0.02","1194.5","0.7","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","Heptaaquacalcium 1,2-Benzenedisulfonimide","","- C12 H22 Ca N2 O15 S4 -","- C12 H22 Ca N2 O15 S4 -","- C24 H44 Ca2 N4 O30 S8 -","2","1","FG1272","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide","Acta Crystallographica Section C","1997","53","7","845","848","10.1107/S0108270197002102","","","0.71073","MoKα","","0.0612","0.0424","","0.1068","0.0928","","","","1.045","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006303","19.515","0.003","5.8352","0.0009","22.854","0.003","90","","90.669","0.009","90","","2602.3","0.7","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Spiro[3-carboxy-1',3'-dihydro-2-methyl-6-oxo-2-cyclohexene-1,2'-[2H]indene]","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","FG1273","Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L.","Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid","Acta Crystallographica Section C","1997","53","7","901","903","10.1107/S0108270197003260","","","0.71073","MoKα","","0.092","0.0555","","0.148","0.1328","","","","0.904","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006304","13.943","0.002","8.0371","0.0007","14.374","0.001","90","","108.03","0.01","90","","1531.7","0.3","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","FG1275","Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A.","Intermediates in the Synthesis of Forskolin. I","Acta Crystallographica Section C","1997","53","7","969","971","10.1107/S0108270197002965","","","0.71073","MoKα","","0.0797","0.046","","0.14","0.1113","","","","1.083","1.065","1.065","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2006305","19.578","0.005","14.508","0.003","7.979","0.002","90","","106.21","0.02","90","","2176.2","0.9","178","2","178","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6-hexakispropylidene-cyclohexane","","- C24 H36 -","- C24 H36 -","- C96 H144 -","4","0.5","FG1289","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene","Acta Crystallographica Section C","1997","53","7","920","921","10.1107/S0108270197003582","","","0.71073","MoKα","","0.1408","0.0635","","0.2205","0.1576","","","","1.008","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006306","12.614","0.004","6.607","0.002","12.921","0.004","90","","94.59","0.03","90","","1073.4","0.6","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4-Diido-2,5-dimethylhexa-2,4-diene","","- C8 H12 I2 -","- C8 H12 I2 -","- C32 H48 I8 -","4","0.5","FG1291","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","3,4-Diiodo-2,5-dimethylhexa-2,4-diene","Acta Crystallographica Section C","1997","53","7","918","920","10.1107/S0108270197003594","","","0.71073","MoKα","","0.0228","0.0215","","0.0552","0.054","","","","1.109","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006307","27.001","0.002","27.001","0.002","21.525","0.004","90","","90","","120","","13590","3","173","","173","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H36 I N2 Nd Si2 -","- C26 H36 I N2 Nd Si2 -","- C468 H648 I18 N36 Nd18 Si36 -","18","0.5","FR1006","Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G.","Iodobis(pyridine-<i>N</i>)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium","Acta Crystallographica Section C","1997","53","7","850","852","10.1107/S0108270196014552","","","0.71073","MoKα","","0.0254","0.0197","","0.043","0.0413","","","","1.058","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006308","8.101","0.002","10.321","0.002","11.145","0.002","65.96","0.03","72.4","0.03","65.93","0.03","766.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C34 H30 Cl2 O6 -","2","1","FR1013","Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan","1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene","Acta Crystallographica Section C","1997","53","7","897","899","10.1107/S0108270197000553","","","0.7107","MoKα","","0.0736","0.0658","","0.1883","0.1785","","","","1.084","1.13","1.13","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006309","10.033","0.009","20.54","0.018","15.464","0.017","90","","94.14","0.07","90","","3178","5","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis(tributylphosphine-1κP)-tetra(benzyl-1κC)-octa- μ3-chloro-octahedro-hexamolybdenum(12 Mo-Mo)","","- C52 H82 Cl8 Mo6 P2 -","- C52 H82 Cl8 Mo6 P2 -","- C104 H164 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.062","","","0.0452","","","","","1.111","1.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006310","25.241","0.006","10.962","0.001","15.18","0.002","90","","98.78","0.02","90","","4151","1.2","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H102 Cl8 Mo6 P2 -","- C76 H102 Cl8 Mo6 P2 -","- C152 H204 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.057","","","0.0451","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006311","8.567","0.002","12.189","0.002","12.557","0.003","90","","98.05","0.03","90","","1298.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trans,cis,cis,cis-[5,5,5,5]fenestrane","rel-(4S,6R,9S,11S)-1-hydroxy-16-methyl-14-oxapentacyclo- [7.4.3.0^4,15^.0^11,15^.0^6,16^]hexadeca-7-ene","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","FR1026","Wender, Paul A.; deLong, Mitch A.; Wireko, Fred C.","Novel Oxidative Rearrangement Product of the First <i>trans</i>,<i>cis</i>,<i>cis</i>,<i>cis</i>-[5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1997","53","7","954","956","10.1107/S0108270197002278","","","1.54059","CopperKα","","0.0504","0.0469","","0.1257","0.1226","","","","1.08","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006312","10.028","0.006","13.118","0.007","7.321","0.005","90","","107.33","0.04","90","","919.3","1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Mn N2 O6 -","- C20 H16 Mn N2 O6 -","- C40 H32 Mn2 N4 O12 -","2","0.5","FR1028","Okabe, Nobuo; Koizumi, Makiko","Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)","Acta Crystallographica Section C","1997","53","7","852","854","10.1107/S0108270197002801","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006313","21.574","0.001","4.5576","0.0009","17.039","0.002","90","","104.238","0.005","90","","1623.9","0.4","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose.","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA1186","Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.","Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose","Acta Crystallographica Section C","1997","53","7","950","951","10.1107/S0108270197002345","","","1.5418","CuKα","","0.12","0.076","","0.083","0.074","","","","2.172","2.342","2.342","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006314","7.956","0.001","8.456","0.003","24.587","0.004","90","","96.15","0.02","90","","1644.6","0.7","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N3 O2 -","- C18 H14 Cl N3 O2 -","- C72 H56 Cl4 N12 O8 -","4","1","HA1188","Daniel E. Bacelo; Osvaldo Cox; Luis A. Rivera; Marisol Cordero; Songping D. Huang","(<i>E</i>,<i>Z</i>)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole","Acta Crystallographica Section C","1997","53","7","907","909","10.1107/S0108270197004071","","","0.7107","MoKα","","","0.0538","","","0.0731","","","","","1.626","1.626","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006315","14.025","0.002","14.025","0.002","14.025","0.002","90","","90","","90","","2758.7","0.7","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Be4 N6 O19 -","- Be4 N6 O19 -","- Be32 N48 O152 -","8","0.333333","JZ1166","Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford","Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium","Acta Crystallographica Section C","1997","53","7","829","830","10.1107/S010827019700303X","","","1.54184","CuKα","","","0.047","","","0.025","","","","","1.076","1.076","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2006316","7.254","0.004","11.914","0.002","14.953","0.002","90","","100.34","0.03","90","","1271.3","0.8","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl N3 O3 -","- C11 H14 Cl N3 O3 -","- C44 H56 Cl4 N12 O12 -","4","1","JZ1177","Chunqiu P. Lai; Liu Bo; Songping D. Huang","4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate","Acta Crystallographica Section C","1997","53","7","906","907","10.1107/S0108270197001236","","","0.7107","MoKα","","","0.0416","","","0.0546","","","","","1.484","1.484","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006317","9.933","0.002","17.111","0.003","12.076","0.002","90","","108.21","0.02","90","","1949.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese)","","- C14 H12 Br Mn2 O8 P -","- C14 H12 Br Mn2 O8 P -","- C56 H48 Br4 Mn8 O32 P4 -","4","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.1277","0.0448","","0.0994","0.0723","","","","1.032","1.069","1.069","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006318","8.735","0.002","8.953","0.001","13.837","0.004","81.57","0.02","84.59","0.02","74.68","0.02","1030.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","","- C13 H Br Mn3 O13 P -","- C13 H Br Mn3 O13 P -","- C26 H2 Br2 Mn6 O26 P2 -","2","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.0616","0.0398","","0.0951","0.0861","","","","1.018","1.067","1.067","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006319","10.579","0.001","18.1356","0.0009","17.507","0.002","90","","106.044","0.006","90","","3228","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) 2,6-pyridinedicarboxylate dihydrate","","- C31 H55 N3 O6 -","- C31 H55 N3 O6 -","- C124 H220 N12 O24 -","4","1","KH1129","Ng, Seik Weng","Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate","Acta Crystallographica Section C","1997","53","7","986","987","10.1107/S010827019700293X","","","0.71073","MoKα","","0.1082","0.0672","","0.1953","0.1748","","","","1.107","1.317","1.317","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006320","7.929","0.001","11.001","0.002","12.436","0.002","75.54","0.01","83.54","0.01","89.78","0.01","1043.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O6 S -","- C23 H21 N O6 S -","- C46 H42 N2 O12 S2 -","2","1","KH1141","Lakshmanan Govindasamy; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate","Acta Crystallographica Section C","1997","53","7","929","931","10.1107/S010827019700351X","","","0.71073","MoKα","","0.046","0.0383","","0.128","0.111","","","","0.626","0.598","0.598","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006321","26.162","0.007","26.162","0.007","13.633","0.005","90","","90","","120","","8081","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),","","- C30 H28 Cu2 N4 O10 -","- C30 H28 Cu2 N4 O10 -","- C270 H252 Cu18 N36 O90 -","9","0.5","MU1294","Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)","Acta Crystallographica Section C","1997","53","7","854","856","10.1107/S0108270197003387","","","0.71073","MoKα","","0.1588","0.0621","","0.2588","0.1985","","","","0.99","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006322","9.673","0.008","11.935","0.009","11.478","0.008","90","","105.22","","90","","1278.6","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl3 Mo N2 O4 -","- C23 H28 Cl3 Mo N2 O4 -","- C46 H56 Cl6 Mo2 N4 O8 -","2","1","MU1300","Elias, Horst; Stock, Frank; Röhr, Caroline","A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand","Acta Crystallographica Section C","1997","53","7","862","864","10.1107/S0108270197003375","","","0.7107","MoKα","","0.0391","0.0389","","0.1014","0.101","","","","1.066","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006323","15.0089","0.0014","16.952","0.002","22.124","0.002","90","","96.172","0.006","90","","5596.4","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline","","- C22 H23.26 N3 O1.13 -","- C22 H23.2867 N3 O1.14333 -","- C264 H279.44 N36 O13.72 -","12","3","NA1266","Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio","Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate","Acta Crystallographica Section C","1997","53","7","987","990","10.1107/S0108270196014564","","","0.71073","MoKα","","0.1875","0.0694","","0.1628","0.1143","","","","0.934","1.212","1.212","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006324","11.52","0.001","4.7","0.001","12.04","0.001","90","","95.44","0.01","90","","648.96","0.16","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H24 N2 O -","- C13 H24 N2 O -","- C26 H48 N4 O2 -","2","0.5","NA1270","Govindasamy, L.; Subramanian, E.","<i>N</i>,<i>N</i>'-Dicyclohexylurea","Acta Crystallographica Section C","1997","53","7","927","928","10.1107/S0108270197003399","","","1.5418","CuKα","","0.123","0.0646","","0.1807","0.161","","","","0.93","1.127","1.127","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006325","10.956","0.001","14.626","0.001","7.606","0.001","93.66","0.01","92.06","0.01","92.59","0.01","1214.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O6 S2 -","- C26 H22 N2 O6 S2 -","- C52 H44 N4 O12 S4 -","2","1","NA1278","Subramanian, E.; Govindasamy, L.; Ravichandran, K.","<i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate","Acta Crystallographica Section C","1997","53","7","925","927","10.1107/S010827019700228X","","","0.71069","MoKα","","0.0798","0.0435","","0.1657","0.1037","","","","1.074","0.833","0.833","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006326","9.826","0.002","17.899","0.004","10.307","0.002","90","","115.56","0.03","90","","1635.3","0.7","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Bis[4'-chlorophenyl]-3,8-dihydro-1,2,5,6-dithiadiazocine","","- C16 H12 Cl2 N2 S2 -","- C16 H12 Cl2 N2 S2 -","- C64 H48 Cl8 N8 S8 -","4","1","NA1282","Beate M. Rymarczyk; Hans Preut; Richard P. Kreher","An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine","Acta Crystallographica Section C","1997","53","7","931","933","10.1107/S0108270197002588","","","0.71069","MoKα","","0.0908","0.0629","","0.177","0.1637","","","","0.988","1.166","1.166","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006327","8.8496","0.0013","14.8198","0.0019","8.3661","0.0014","90","","92.221","0.005","90","","1096.4","0.3","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl6 O2 -","- C18 H22 Cl6 O2 -","- C36 H44 Cl12 O4 -","2","1","NA1283","Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir","Configuration of the Diels‒Alder Adduct of Hexachlorocyclopentadiene with <small>L</small>-Menthyl Acrylate","Acta Crystallographica Section C","1997","53","7","899","901","10.1107/S0108270197003533","","","0.71069","MoKα","","","0.049","","","0.056","","","","","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006328","9.672","0.003","9.672","0.003","9.834","0.003","90","","90","","120","","796.7","0.4","298","","298","","","","","","","","","5","P -3","-P 3","147","manganese fluorosilicate hexahydrate","manganese hexafluorosilicate-water (1/6)","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F18 H36 Mn3 O18 Si3 -","3","0.5","OH1098","Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji","Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning","Acta Crystallographica Section C","1997","53","7","833","836","10.1107/S0108270196015454","","","1.5418","CuKα","","","0.04","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006329","5.7009","0.0008","10.509","0.002","9.42","0.002","123.78","0.01","102.66","0.01","94.08","0.01","444.53","0.16","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C18 F16 -","- C18 F16 -","- C18 F16 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.053","","","0.061","","","","","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006330","5.899","0.0007","9.509","0.001","9.304","0.001","102.75","0.01","94.62","0.01","115.92","0.01","448.4","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 F10 -","- C20 H10 F10 -","- C20 H10 F10 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","1.54184","CuKα","","0","0.042","","","0.067","","","","","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006331","10.2071","","17.6882","","5.9376","","90","","97.52","","90","","1062.79","","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F14 -","- C22 H10 F14 -","- C44 H20 F28 -","2","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.052","","","0.065","","","","","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006332","14.156","0.001","19.536","0.003","9.2244","0.0004","90","","105.01","0.003","90","","2464","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl)- dipalladium","","- C50 H68 Br2 P2 Pd2 -","- C50 H68 Br2 P2 Pd2 -","- C100 H136 Br4 P4 Pd4 -","2","0.5","PA1251","Chentit, Mostafa; Geoffroy, Michel; Bernardinelli, Gérald","Di-μ-bromo-bis{[(2,4,6-tris-<i>tert</i>-butylphenyl)phosphanediylmethyl-<i>P</i>]phenyl-<i>C</i>^2^}dipalladium","Acta Crystallographica Section C","1997","53","7","866","868","10.1107/S0108270197003235","","","1.54183","CuKα","","0.055","0.043","","0.035","0.034","","","","2.228","2.399","2.399","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006333","11.379","0.002","21.004","0.004","15.488","0.003","90","","94.26","0.03","90","","3691.5","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis bistriphenylphosphineimine dodecasulfurdiirion","","- C72 H60 Fe2 N2 P4 S12 -","- C72 H60 Fe2 N2 P4 S12 -","- C144 H120 Fe4 N4 P8 S24 -","2","0.5","QB0004","van Hal, Jaap W.; Whitmire, Kenton H.","Bis[bis(triphenylphosphine)iminium] Di-μ-thio-bis[(pentasulfido)ferrate(III)]","Acta Crystallographica Section C","1997","53","7","IUC9700008","","10.1107/S0108270197099484","","","0.71073","MoKα","","0.0701","0.0398","","0.1176","0.0946","","","","1.037","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006334","7.318","0.0015","5.673","0.0011","9.989","0.002","90","","110.79","0.03","90","","387.69","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxazolidinone","2-oxazolidinone","","- C3 H5 N O2 -","- C3 H5 N O2 -","- C12 H20 N4 O8 -","4","1","SK1055","Wouters, Johan; Ooms, Frederic; Durant, Francois","2-Oxazolidinone","Acta Crystallographica Section C","1997","53","7","895","897","10.1107/S0108270197003752","","","1.54178","CuKα","","0.0395","0.039","","0.1","0.0995","","","","1.12","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006335","11.735","0.001","9.683","0.001","11.985","0.001","90","","118.87","0.01","90","","1192.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2S-hydroxyphenylethyl)-proline tert-butyl ester","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0354","0.0299","","0.0827","0.0802","","","","1.018","1.067","1.067","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006336","11.456","0.001","9.708","0.001","12.024","0.001","90","","116.79","0.01","90","","1193.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2R-hydroxyphenylethyl)-proline tert-butyl ester.","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0487","0.031","","0.0676","0.0633","","","","0.891","0.992","0.992","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006337","5.946","0.002","16.441","0.004","9.582","0.002","90","","100.14","0.02","90","","922.1","0.4","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-pyridinium)urea perchlorate","","- C6 H8 Cl N3 O5 -","- C6 H8 Cl N3 O5 -","- C24 H32 Cl4 N12 O20 -","4","1","SK1081","Velichka Velikova; Olyana Angelova; Rosica Petrova; Krasimir Kossev","<i>N</i>-(2-Pyridinium)urea Perchlorate","Acta Crystallographica Section C","1997","53","7","971","973","10.1107/S0108270197003156","","","0.71073","MoKα","","0.0638","0.0363","","0.0824","0.0737","","","","0.948","1.042","1.042","","","","","has coordinates","190725","2020-10-21","18:00:00",""
"2006338","12.041","0.002","10.731","0.002","13.011","0.002","90","","106.49","0.02","90","","1612","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-Epoxy-5β-androstan-17-one'","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","2","SK1084","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4β-Epoxy-5β-androstan-17-one","Acta Crystallographica Section C","1997","53","7","938","940","10.1107/S0108270197002138","","","0.71073","MoKα","","0.0708","0.0383","","0.0958","0.0872","","","","1.027","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006339","4.7378","0.0003","7.5284","0.0006","13.1036","0.0011","87.836","0.007","86.108","0.006","77.183","0.006","454.56","0.06","130","2","130","2","","","","","","","","4","P 1","P 1","1","lactosylurea","4-O-beta-D-galactopyranosyl-D-glucopyranosyl urea","","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","1","1","SX1015","Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh","Lactosylurea Dihydrate","Acta Crystallographica Section C","1997","53","7","915","916","10.1107/S0108270197002849","","","1.54178","CuKα","","0.0275","0.0271","","0.0694","0.0689","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006340","14.58","0.002","18.5345","0.001","6.4477","0.0001","90","","90","","90","","1742.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5,2'-dithien-2-yl)-2'-deoxyuridine","","- C17 H16 N2 O5 S2 -","- C17 H16 N2 O5 S2 -","- C68 H64 N8 O20 S8 -","4","1","SX1017","Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.","<i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine","Acta Crystallographica Section C","1997","53","7","892","895","10.1107/S0108270197002813","","","1.5418","CuKα","","0.048","0.0461","","0.116","0.1135","","","","1.065","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006341","8.698","0.003","5.819","0.003","10.032","0.003","90","","107.48","0.03","90","","484.3","0.3","150","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-α-methyl-4-carboxyphenylglycine","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","SX1018","Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C.","Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist","Acta Crystallographica Section C","1997","53","7","909","911","10.1107/S0108270197003223","","","1.54178","CuKα","","0.0502","0.0346","","0.1397","0.0881","","","","1.065","1.001","1.001","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006342","8.9803","0.0008","16.3083","0.001","9.2752","0.0007","90","","93.541","0.007","90","","1355.79","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6Z,8Z)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SX1020","Prakash, Gautam; Fettinger, James C.; Falvey, Daniel E.","(6<i>Z</i>,8<i>Z</i>)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","Acta Crystallographica Section C","1997","53","7","979","981","10.1107/S0108270197002850","","","0.71073","MoKα","","0.0597","0.0422","","0.1083","0.0967","","","","1.038","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006343","13.133","0.004","18.932","0.006","14.646","0.009","90","","95.7","0.03","90","","3623","3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H38 Mo5 N4 O23 P2 -","- C20 H34 Mo5 N4 O23 P2 -","- C80 H136 Mo20 N16 O92 P8 -","4","1","TA1124","Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","7","856","859","10.1107/S0108270197002989","","","0.71073","MoKα","","0.022","0.022","","0.035","0.035","","","","","1.84","1.84","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006344","13.214","0.003","16.145","0.002","44.872","0.002","90","","91.039","0.009","90","","9571","3","213","1","213","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Co2 N4 O9 -","- C92 H162 Co2 N4 O9 -","- C368 H648 Co8 N16 O36 -","4","0.5","TA1127","Robert W. Corkery; David C.R. Hockless","A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid","Acta Crystallographica Section C","1997","53","7","840","843","10.1107/S010827019700259X","","","1.5418","CuKα","","","0.051","","","0.0607","","","","","2.306","2.306","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2006345","7.5893","0.0004","7.9361","0.0005","12.793","0.0007","104.427","0.004","95.662","0.004","90.264","0.004","742.24","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Strontiumnitratoacetate-Hemitrihydrate","","","- C2 H6 N O6.5 Sr -","- C2 H6 N O6.5 Sr -","- C8 H24 N4 O26 Sr4 -","4","2","TA1134","Lengauer, Christian L.; Giester, Gerald","Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~]","Acta Crystallographica Section C","1997","53","7","870","872","10.1107/S0108270197002990","","","0.71073","MoKα","","0.0484","0.0274","","0.061","0.0563","","","","1.043","1.113","1.113","","","","","has coordinates","223448","2020-10-21","18:00:00",""
"2006346","14.674","0.006","16.365","0.008","15.233","0.006","90","","111.39","0.03","90","","3406","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 N Ru -","- C17 H23 Cl2 N Ru -","- C136 H184 Cl16 N8 Ru8 -","8","2","TA1142","Andrew J. Steedman; Anthony K. Burrell","Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium","Acta Crystallographica Section C","1997","53","7","864","866","10.1107/S0108270197003004","","","0.71073","MoKα","","0.0631","0.0327","","0.0949","0.0832","","","","1.049","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006347","14.074","0.002","15.738","0.002","13.588","0.002","96.82","0.01","100.61","0.01","74.63","0.01","2844.7","0.7","294","","294","","","","","","","","","5","P -1","-P 1","2","","(4RS,1'RS)-methyl 1-phenyl-2-piperidinoethyl 1,4-dihydro-2,6-dimethyl-4-(2- thienyl)pyridine-3,5-dicarboxylate methanol solvate","","- C28.5 H38 N2 O5.5 S -","- C27.5 H27 Hc9 Hn N2 O5.5 S2 -","- C110 H108 Hc36 Hn4 N8 O22 S8 -","4","2","VJ1043","Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki","(4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O","Acta Crystallographica Section C","1997","53","7","913","915","10.1107/S0108270197000528","","","1.54184","Cu-Kα","","0.056","0.049","","","0.07","","","","","1.884","1.884","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006348","5.911","0.004","7.474","0.003","16.366","0.003","100.55","0.03","91.9","0.03","91.62","0.04","710","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(napthylenyl)]-3-(4-chlorophenyl)-2-propen-1-one","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C38 H26 Cl2 O2 -","2","1","VJ1049","S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan","3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone","Acta Crystallographica Section C","1997","53","7","917","918","10.1107/S0108270197000668","","","1.5418","CuKα","","0.0619","0.0563","","0.173","0.1652","","","","1.066","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006349","10.055","0.003","22.575","0.004","18.227","0.005","90","","99.359","0.012","90","","4082.3","1.8","291","1","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Triphenylsilyl(thiophenyl-2)triphenylphosphonium perrhenate dichloromethane solvate","","- C43 H36 Cl2 O4 P Re S Si -","- C43 H36 Cl2 O4 P Re S Si -","- C172 H144 Cl8 O16 P4 Re4 S4 Si4 -","4","1","AB1433","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1‒)‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","8","1039","1041","10.1107/S0108270197003922","","","0.71073","MoKα","","0.0702","0.0308","","0.0892","0.076","","","","1.03","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006350","8.025","0.001","19.844","0.003","8.37","0.001","90","","97.44","0.01","90","","1321.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(N,N-dimethylamino)acetonitrile","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C48 H60 Br4 N8 O8 -","4","1","AB1437","SanMartín, Raúl; Olivera, Roberto; Domínguez, Esther; Pizarro, José Luis; Arriortua, María Isabel","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile","Acta Crystallographica Section C","1997","53","8","1141","1143","10.1107/S0108270197004605","","","0.7107","MoKα","","0.2572","0.029","","0.1162","0.0414","","","","0.852","0.622","0.622","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006351","9.5433","0.0005","11.0572","0.0007","13.0444","0.0005","78.84","0.004","89.737","0.004","89.7","0.004","1350.42","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-BENZYL-5-ETHYLTHIO-3H-1,2-DITHIOLE-3-THIONE","","- C12 H12 S4 -","- C12 H12 S4 -","- C48 H48 S16 -","4","2","AB1441","Baggio, Ricardo; Vega, Daniel; Mario L. Aimar; Rita H. de Rossi; Javier Ellena","4-Benzyl-5-ethylthio-3<i>H</i>-1,2-dithiole-3-thione","Acta Crystallographica Section C","1997","53","8","1125","1127","10.1107/S0108270197003697","","","1.54184","CuKα","","0.056","0.049","","0.137","0.132","","","","1.12","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006352","7.4083","0.0001","8.5172","0.0001","14.9425","0.0001","87.42","0.01","78.71","0.01","77.57","0.01","902.92","0.05","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","1","0.5","AB1457","Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","8","1049","1051","10.1107/S0108270197004915","","","0.71073","MoKα","","","0.056","","","0.0479","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006353","11.1118","0.0013","10.3425","0.0011","6.219","0.002","90","","103.75","0.02","90","","694.2","0.3","143","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diallysulfide","di-2-propenylsulfide","","- C6 H10 S -","- C6 H10 S -","- C24 H40 S4 -","4","0.5","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0409","0.0395","","0.1002","0.0998","","","","1.221","1.248","1.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006354","5.3456","0.0012","13.94","0.003","10.8447","0.001","90","","96.152","0.013","90","","803.5","0.3","168","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diallyldisulfide","di-2-propenyldisulfide","","- C6 H10 S2 -","- C6 H10 S2 -","- C24 H40 S8 -","4","1","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0537","0.0498","","0.1376","0.1355","","","","1.059","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006355","8.9952","0.0013","20.46","0.002","9.864","0.002","90","","90","","90","","1815.4","0.5","98","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetravinylsilane","Tetraethenylsilane","","- C8 H12 Si -","- C8 H12 Si -","- C64 H96 Si8 -","8","1","AV1004","Bartkowska, Beata; Krüger, Carl","Tetravinylsilane","Acta Crystallographica Section C","1997","53","8","1066","1068","10.1107/S010827019700437X","","","0.71069","MoKα","","0.0463","0.0399","","0.1268","0.1222","","","","1.027","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006356","28.818","0.007","21.357","0.002","13.668","0.006","90","","116.29","0.03","90","","7542","4","153","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 Cl N3 O17 Re -","- C35 H33 Cl N3 O17 Re -","- C280 H264 Cl8 N24 O136 Re8 -","8","1","BK1234","Absi, Michelle; Stern, Charlotte L.; Yoon, Dong I.; Hupp, Joseph T.","A Crown-Linked Donor‒Acceptor Assembly Containing Re^I^(diimine)(CO)~3~Cl and Nitrobenzene Components","Acta Crystallographica Section C","1997","53","8","1054","1055","10.1107/S010827019700036X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006357","20.527","0.002","6.144","0.002","8.604","0.002","90","","90.08","0.02","90","","1085.1","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-1-carboxylic acid","anthracene-1-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1321","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Anthracene-1-carboxylic Acid","Acta Crystallographica Section C","1997","53","8","1080","1082","10.1107/S0108270197004927","","","0.71073","MoKα","","","0.054","","","0.053","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006358","7.356","0.001","8.986","0.002","9.544","0.002","74.37","0.03","89.69","0.03","89.34","0.03","607.5","0.2","294","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H16 Cl Co N4 O7 -","- C5 H16 Cl Co N4 O7 -","- C10 H32 Cl2 Co2 N8 O14 -","2","1","BM1124","Huai-Ming Hu; Hong-Sui Sun; Chun-Ying Duan; Qun Zhao; Xiao-Zeng You","(Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) Perchlorate","Acta Crystallographica Section C","1997","53","8","1014","1015","10.1107/S0108270197004083","","","0.71073","MoKα","","0.0859","0.0672","","0.1937","0.1752","","","","1.091","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006359","8.034","0.006","9.039","0.007","11.493","0.009","106.15","0.06","92.75","0.06","106.74","0.06","760.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","BM1147","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","8","1161","1162","10.1107/S0108270197004253","","","0.71073","MoKα","","0.0637","0.0429","","0.1236","0.109","","","","1.043","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006360","10.598","0.002","24.577","0.003","11.378","0.004","90","","104.24","0.02","90","","2872.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(Tetra(thf))lithium(I) Tetrachloro di(μ-chloro) bis(thf)dibismuthate(III)","","- C20 H40 Bi Cl4 Li O5 -","- C20 H40 Bi Cl4 Li O5 -","- C80 H160 Bi4 Cl16 Li4 O20 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.1236","0.0498","","0.0863","0.0716","","","","0.854","0.994","0.994","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006361","7.92871","0.00011","12.663","0.002","11.447","0.003","90","","94.116","0.003","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Antimony(III)iodide tetrahydrofuran","","- C4 H8 I3 O Sb -","- C4 H8 I3 O Sb -","- C16 H32 I12 O4 Sb4 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.0303","0.0247","","0.0565","0.055","","","","0.818","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006362","6.7504","0.0005","6.7504","","8.265","0.001","90","","90","","90","","376.62","0.05","295","","295","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ag2 As K S4 -","- Ag2 As K S4 -","- Ag4 As2 K2 S8 -","2","0.125","BR1149","Schimek, George L.; Kolis, Joseph W.","KAg~2~AsS~4~","Acta Crystallographica Section C","1997","53","8","991","992","10.1107/S0108270197000450","","","0.71073","MoKα","","","0.0241","","","0.0217","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006363","15.634","0.002","8.479","0.001","23.404","0.003","90","","108.6","0.01","90","","2940.4","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","dipotassium(+) bis[1,4,7,10,13,16-hexaoxacyclooctadecane- potassium(+)] hexaselenodistannate (4-) tetraethylenediamine","","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C64 H160 K8 N16 O24 Se12 Sn4 -","2","0.5","BR1163","Borrmann, Horst; Pirani, Ayaaz M.; Schrobilgen, Gary J.","(K^+^)~2~(18-crown-6-K^+^)~2~[Sn~2~Se~6~]^4{-^}.4en: an [Sn~2~Se~6~]^4{-^} Anion with a Short Sn","Acta Crystallographica Section C","1997","53","8","1004","1006","10.1107/S0108270197004939","","","0.71073","MoKα","","0.0365","0.0298","","0.08","0.0753","","","","1.033","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006364","6.6934","0.0004","9.1833","0.0005","10.1469","0.0006","69.479","0.001","77.218","0.001","75.761","0.001","559.88","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","hydrated zinc arsenate","tris(zinc arsenate) tetrahydrate","","- As6 H8 O28 Zn9 -","- As6 O28 Zn9 -","- As6 O28 Zn9 -","1","0.5","BR1175","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn~3~(AsO~4~)~2~]~3~.4H~2~O","Acta Crystallographica Section C","1997","53","8","997","1000","10.1107/S0108270197004095","","","0.71073","MoKα","","0.051","0.0458","","0.1065","0.1051","","","","0.982","1.075","1.075","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006365","11.14","0.002","12.358","0.002","20.727","0.004","87.34","0.03","85.66","0.03","88.21","0.03","2841.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] eclipsed-decacarbonyldichromate(2-).","","- C46 H72 Cr2 K2 N4 O22 -","- C46 H72 Cr2 K2 N4 O22 -","- C92 H144 Cr4 K4 N8 O44 -","2","1","BR1178","Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen","[2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry","Acta Crystallographica Section C","1997","53","8","1007","1010","10.1107/S0108270197004320","","","0.71073","MoKα","","0.039","0.0295","","0.0833","0.0767","","","","0.989","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006366","21.4587","0.0001","14.9163","0.0003","17.851","0.0003","90","","95.118","0.001","90","","5691.05","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28.5 I N4.5 O3 Sn -","- C28 H28.5 I N4.5 O3 Sn -","- C224 H228 I8 N36 O24 Sn8 -","8","2","BS1015","Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H.","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate","Acta Crystallographica Section C","1997","53","8","1031","1034","10.1107/S0108270197003855","","","0.71073","MoKα","","0.0536","0.0369","","0.0975","0.0788","","","","1.14","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006367","14.33","0.001","16.39","0.003","8.484","0.001","90","","97.4","0.01","90","","1976","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","N-(5-Dicyanomethylenecyclohepta-1,3,6- trienyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","BS1019","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","Acta Crystallographica Section C","1997","53","8","1136","1137","10.1107/S010827019700512X","","","1.54184","CuKα","","0.0651","0.0504","","0.1491","0.1354","","","","1.051","1.08","1.08","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006368","17.229","0.003","10.817","0.005","14.851","0.006","90","","110.78","0.03","90","","2587.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3-methyl-2,4-pentanedionato)(N,N-bis(2-chloroethyl)1,2-ethane diamine)cobalt(III) perchlorate","","- C18 H32 Cl3 Co N2 O8 -","- C18 H32 Cl3 Co N2 O8 -","- C72 H128 Cl12 Co4 N8 O32 -","4","1","BS1025","Ware, David C.; Denny, William A.; Clark, George R.","[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)-1,2-ethanediamine-<i>N</i>,<i>N</i>']bis(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent","Acta Crystallographica Section C","1997","53","8","1058","1059","10.1107/S0108270197004186","","","0.71069","MoKα","","0.0927","0.0504","","0.1597","0.1178","","","","1.142","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006369","7.227","0.001","34.729","0.002","9.221","0.002","90","","90","","90","","2314.3","0.6","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","5,8-dimethoxy-1-naphthoic acid","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.049","","","0.036","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006370","7.707","0.002","8.72","0.001","18.619","0.002","90","","100.97","0.01","90","","1228.4","0.4","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","methyl 5,8-dimethoxy-1-naphthoate","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.052","","","0.034","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006371","18.781","0.005","5.292","0.001","24.948","0.007","90","","90.47","0.02","90","","2479.5","1.1","295","","295","","","","","","","","","5","I 1 2/a 1","","","","2,2'-diaminodiphenyl disulfide hemihydrate","","- C12 H13 N2 O0.5 S2 -","- C12 H13.5 N2 O S2 -","- C96 H108 N16 O8 S16 -","8","1","CF1091","Kaitner, Branko; Pavlović, Gordana","2,2'-Diaminodiphenyl Disulfide Hemihydrate","Acta Crystallographica Section C","1997","53","8","1103","1105","10.1107/S0108270197004435","","","0.71069","MoKα","","0.031","0.031","","0.051","0.051","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006372","13.339","0.003","10.605","0.003","13.052","0.005","90","","108.78","0.02","90","","1748","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2S,3R,4R) and (2R,3S,4S)-dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ia))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.0977","0.0556","","0.1898","0.1402","","","","0.996","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006373","5.385","0.002","19.521","0.007","16.7","0.008","90","","96.57","0.04","90","","1744","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2S,3R,4S) and (2R,3S,4S) -dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ib))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.1369","0.0488","","0.2023","0.1221","","","","0.96","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006374","9.582","0.001","10.495","0.002","13.498","0.003","90","0.2","90","0.3","90","0.3","1357.4","0.4","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","1","CF1161","Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel","(1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene","Acta Crystallographica Section C","1997","53","8","1139","1141","10.1107/S010827019700365X","","","0.71073","MoKα","","0.056","0.048","","","0.068","","","","","1.829","1.829","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006375","15.117","0.001","14.4592","0.0006","15.8539","0.0009","90","","90","","90","","3465.3","0.3","297","","","","","","","","","","","4","P b c a","","","","1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one","","- C19 H12 I2 O2 -","- C19 H12 I2 O2 -","- C152 H96 I16 O16 -","8","1","CF1169","Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","A Diiodo-Substituted 9-Anthracenone","Acta Crystallographica Section C","1997","53","8","1138","1139","10.1107/S0108270197004460","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.88","1.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006376","9.606","0.002","6.378","0.002","30.077","0.005","90","","90","","90","","1842.7","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-Carboxy-dl-Phenylalanine Anhydride","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","DE1051","Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi","<i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride","Acta Crystallographica Section C","1997","53","8","1154","1156","10.1107/S0108270197004010","","","1.54184","CuKα","","0.0453","0.0338","","0.0901","0.0838","","","","1.089","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006377","6.706","0.001","6.806","0.001","6.997","0.001","100.73","0.02","113.33","0.02","80.53","0.02","286.65","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","mercury(II)-pyrophosphate","di-mercury(II)-diphosphate","","- Hg2 O7 P2 -","- Hg2 O7 P2 -","- Hg4 O14 P4 -","2","1","DU1174","Weil, Matthias; Glaum, Robert","Mercury(II) Diphosphate, Hg~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","8","1000","1003","10.1107/S0108270197003879","","","0.71073","MoKα","","0.0374","0.0266","","0.0662","0.0602","","","","1.091","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006378","7.122","0.002","18.113","0.004","10.389","0.004","90","","90","","90","","1340.2","0.7","293","","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","FG1253","Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.","3,4-Etheno-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1997","53","8","1099","1101","10.1107/S0108270197003880","","","0.71069","MolybdenumKα","","0.095","0.094","","0.076","0.076","","","","","1.43","1.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006379","14.997","0.006","12.898","0.009","14.743","0.014","90","","90","","90","","2852","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(1,8-naphthalenedicarboximido)benzonitrile, or N-(3-benzonitrile)-1,8-naphthalimide or strict IUPAC name 3-(1,3-dioxo-2,3-dihydro-1H-naphtho-[1,8-cd]- azin-2yl)benzonitrile","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C152 H80 N16 O16 -","8","1","FG1259","Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim","3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~","Acta Crystallographica Section C","1997","53","8","1117","1119","10.1107/S0108270197003727","","","0.71073","MoKα","","0.1431","0.0682","","0.1626","0.1373","","","","0.926","1.208","1.208","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006380","12.023","0.002","9.446","0.002","15.205","0.002","90","","90.243","0.014","90","","1726.8","0.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C80 H64 O16 S4 -","4","1","FG1284","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate","Acta Crystallographica Section C","1997","53","8","1162","1164","10.1107/S0108270197003892","","","0.7107","MoKα","","0.092","0.0393","","0.0549","0.0496","","","","1.55","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006381","12.8075","0.0018","12.8075","0.0018","16.419","0.003","90","","90","","90","","2693.2","0.7","143","2","143","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","1,8-Bis(dimethylphosphino)naphthalene","","- C14 H18 P2 -","- C14 H18 P2 -","- C112 H144 P16 -","8","1","FG1288","Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard","1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry","Acta Crystallographica Section C","1997","53","8","1119","1122","10.1107/S010827019700468X","","","0.71073","MoKα","","0.0524","0.041","","0.101","0.0913","","","","1.064","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006382","11.7734","0.0017","15.773","0.002","8.796","0.0016","90","","95.182","0.014","90","","1626.8","0.4","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-isopropylphenyl)fluorene","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","FG1290","Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D.","Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution","Acta Crystallographica Section C","1997","53","8","1149","1151","10.1107/S0108270197003739","","","0.71069","MoKα","","0.183","0.0459","","0.1619","0.109","","","","1.016","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006383","10.307","0.005","16.161","0.01","22.496","0.01","91.57","0.04","89.81","0.04","101.1","0.04","3676","3","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","Bis(triphenylphosphonine)iminium Trichloro(cyclopentadienyl)chromide(III)","","- C41 H35 Cl3 Cr N P2 -","- C41 H35 Cl3 Cr N P2 -","- C164 H140 Cl12 Cr4 N4 P8 -","4","2","FG1314","Scheer, Manfred; Jones, Peter G.","Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III)","Acta Crystallographica Section C","1997","53","8","1038","1039","10.1107/S0108270197005234","","","0.71073","MoKα","","0.0918","0.0498","","0.1642","0.1304","","","","0.95","0.968","0.968","","","","","has coordinates","192288","2020-10-21","18:00:00",""
"2006384","8.362","0.002","16.727","0.002","11.554","0.002","90","","95.561","0.002","90","","1608.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","FR1015","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia","4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile","Acta Crystallographica Section C","1997","53","8","1158","1160","10.1107/S0108270196014515","","","0.71069","MoKα","","0.067","0.046","","0.118","0.111","","","","1.122","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006385","24.967","0.003","6.075","0.002","13.232","0.002","90","","113.134","0.011","90","","1845.6","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-labda-8(17),13E-dien-15-oic","","- C20 H32 O2 -","- C20 H31.5 O2 -","- C80 H126 O8 -","4","1","FR1024","Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina","(13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid","Acta Crystallographica Section C","1997","53","8","1068","1070","10.1107/S0108270197003016","","","0.71069","MoKα","","0.0742","0.044","","0.163","0.1194","","","","1.108","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006386","10.429","0.002","10.699","0.003","11.743","0.003","114.41","0.02","107.43","0.03","96.33","0.04","1096.3","0.6","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","1","0.5","FR1035","Ülkü, Dinçer; Ercan, Filiz; Atakol, Orhan; Dinçer, F. Nazlι","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II)","Acta Crystallographica Section C","1997","53","8","1056","1057","10.1107/S0108270197004733","","","0.71073","MoKα","","","0.048","","","0.049","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006387","16.54","0.001","15.605","0.002","10.445","0.001","90","","104.9","0.01","90","","2605.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrachlorotetrakis(tetrahydrofuran)di-μ-thioxodiniobium(IV)","","- C16 H32 Cl4 Nb2 O4 S2 -","- C16 H32 Cl4 Nb2 O4 S2 -","- C64 H128 Cl16 Nb8 O16 S8 -","4","1","FR1039","Myungok Yoon; Victor Young Jr; Gordon J. Miller; .","A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~]","Acta Crystallographica Section C","1997","53","8","1041","1043","10.1107/S0108270197004277","","","0.71073","MoKα","","0.0779","0.0416","","0.1112","0.0972","","","","1.034","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006388","7.567","0.0014","8.7781","0.0007","10.2806","0.0016","108.941","0.01","94.805","0.014","98.788","0.011","631.79","0.17","293","","293","","","","","","","","","7","P -1","-P 1","2","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","1","0.5","FR1040","Weathers, Norman R.; Sadoski, Robert C.; Durham, Bill; Cordes, A. Wallace","<i>trans</i>-Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","8","1047","1049","10.1107/S0108270197004381","","","0.7107","MolybdenumKα","","0.04","0.04","","0.051","0.051","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006389","8.468","0.0014","11.1997","0.0007","6.822","0.0009","90","","90","","90","","646.99","0.14","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","1,3-dimethylimidazole-2-thione","1,3-dimethyl-2(3H)-imidazolethione","","- C5 H8 N2 S -","- C5 H8 N2 S -","- C20 H32 N8 S4 -","4","0.25","HA1189","Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade","Redetermination of 1,3-Dimethylimidazole-2-thione","Acta Crystallographica Section C","1997","53","8","1153","1154","10.1107/S0108270197004198","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006390","4.832","0.002","10.222","0.006","13.426","0.006","73.3","0.04","81.43","0.03","88.83","0.04","627.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C30 H28 O8 -","2","1","HA1191","Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M.","2-[2-(Hydroxyethyl)phenoxy]benzoic Acid","Acta Crystallographica Section C","1997","53","8","1143","1145","10.1107/S0108270197004344","","","0.71069","MoKα","","0.0632","0.0389","","0.1235","0.0932","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006391","7.498","0.003","12.564","0.004","16.296","0.013","90","","93.36","0.04","90","","1532.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl (E)-3-(imidazol-4-yl)propenoate hemihydrate","","- C7 H9 N2 O2.5 -","- C7 H9 N2 O2.5 -","- C56 H72 N16 O20 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0365","0.0333","","0.0955","0.0926","","","","1.057","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006392","10.795","0.003","8.271","0.001","17.803","0.003","90","","92.957","0.015","90","","1587.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (E)-3-(pyrrol-2-yl)propenoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.2221","0.058","","0.2147","0.1413","","","","1.014","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006393","9.706","0.002","8.9898","0.0009","17.714","0.003","90","","90","","90","","1545.6","0.4","277","2","277","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl (E)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.1105","0.0438","","0.1366","0.0969","","","","1.108","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006394","15.7","0.013","18.927","0.016","7.311","0.005","90","","100.13","0.06","90","","2139","3","277","2","277","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (Z)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C84 H96 N24 O24 -","12","3","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0712","0.0387","","0.1177","0.1027","","","","1.036","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006395","12.3962","0.0008","7.8062","0.0005","30.305","0.0002","90","","106.319","0.005","90","","2814.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C136 H168 N8 O8 -","8","2","JZ1173","Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W.","4-(1-Phenylpiperidin-4-ylidene)cyclohexanone","Acta Crystallographica Section C","1997","53","8","1156","1158","10.1107/S0108270197003958","","","0.71073","MoKα","","0.063","0.063","","0.148","0.148","","","","0.96","0.96","0.96","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006396","9.838","0.005","12.524","0.005","12.842","0.006","69.12","0.03","68","0.04","82.42","0.04","1370.7","1.2","126","2","126","2","","","","","","","","5","P -1","-P 1","2","Bis[anhydromesorhodochlorinato-XV methyl ester)zinc(II)]","Bis{(8,13-diethyl-2,21,22,23-tetrahydro-18-methoxycarbonyl-3,7,12,17- tetramethyl-23-oxo-3H-benzo[at]porphyrinato)zinc(II)}","","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","1","0.5","JZ1192","Senge, Mathias O.; Smith, Kevin M.","Bis[(anhydro-<i>meso</i>-rhodochlorinato-XV methyl ester)zinc(II)]","Acta Crystallographica Section C","1997","53","8","1022","1024","10.1107/S0108270197002977","","","0.71073","MoKα","","0.0987","0.0681","","0.1633","0.1463","","","","1.029","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006397","8.646","0.0011","10.849","0.0013","15.96","0.0002","90","","95.48","0.02","90","","1490.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W)","","- C17 H16 O3 W2 -","- C17 H16 O3 W2 -","- C68 H64 O12 W8 -","4","1","JZ1195","Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)","Acta Crystallographica Section C","1997","53","8","1018","1020","10.1107/S0108270197004393","","","0.71069","MoKα","","0.0314","0.0284","","0.0747","0.0733","","","","1.136","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006398","14.1995","0.0007","11.3316","0.0005","9.7483","0.0005","90","","106.453","0.004","90","","1504.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-Dimethylpyridine) (N-salicylideneglycinato)-Copper(II) Polymer","","- C16 H16 Cu N2 O3 -","- C16 H16 Cu N2 O3 -","- C64 H64 Cu4 N8 O12 -","4","1","JZ1196","Warda, Salam A.","A (3,5-Dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')copper(II) Polymer","Acta Crystallographica Section C","1997","53","8","1010","1011","10.1107/S0108270197004241","","","1.54178","CuKα","","0.0558","0.0553","","0.1467","0.1462","","","","1.143","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006399","16.8637","0.0014","9.3561","0.0006","7.4402","0.0013","90","","111.934","0.011","90","","1088.9","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Bipyridyl-N,N')dibromopalladium(II)","","- C10 H8 Br2 N2 Pd -","- C10 H8 Br2 N2 Pd -","- C40 H32 Br8 N8 Pd4 -","4","0.5","JZ1200","Smeets, Wilberth J.J.; Spek, Anthony L.; Hoare, Jason L.; Canty, Allan J.; Hovestad, Neldes; van Koten, Gerard","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')dibromopalladium(II)","Acta Crystallographica Section C","1997","53","8","1045","1047","10.1107/S0108270197004149","","","0.71073","MoKα","","","0.051","","","","0.135","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006400","16.746","0.002","12.974","0.002","11.582","0.002","90","","90","","90","","2516.3","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium strontium tetraborate decahydrate","","- B8 H28 K2 O28 Sr -","- B8 H28 K2 O28 Sr -","- B32 H112 K8 O112 Sr4 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.033","0.033","","0.076","0.076","","","","0.994","0.993","0.993","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006401","16.659","0.002","12.571","0.002","11.588","0.002","90","","90","","90","","2426.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Calcium Tetraborate Octohydrate","","- B8 Ca H32 N2 O26 -","- B8 Ca H32 N2 O26 -","- B32 Ca4 H128 N8 O104 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.026","0.026","","0.067","0.067","","","","1.02","1.02","1.02","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006402","8.676","0.001","44.948","0.002","22.143","0.002","90","","99.369","0.005","90","","8519.9","1.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-diacetyl-9-hydroxy-1,3,5,9-tetramethyl -2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane","","- C14 H20 O6 -","- C14 H20 O6 -","- C336 H480 O144 -","24","6","KA1225","Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; .","(1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions","Acta Crystallographica Section C","1997","53","8","1107","1111","10.1107/S0108270197005477","","","1.54179","CuKα","","0.105","0.059","","0.074","0.067","","","","1.986","2.529","2.529","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006403","11.786","0.002","5.543","0.001","17.799","0.004","90","","106.16","0.03","90","","1116.9","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Methylthiophenanthrene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","2","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0948","0.073","","0.2093","0.1811","","","","1.04","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006404","9.054","0.004","20.644","0.009","6.659","0.003","90","","98.1","0.03","90","","1232.2","0.9","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Ethylthiophenanthrene","","- C16 H14 S -","- C16 H14 S -","- C64 H56 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0996","0.0679","","0.1553","0.1378","","","","1.03","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006405","9.067","0.003","21.123","0.007","7.007","0.003","90","","99.12","0.03","90","","1325","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Propylthiophenanthrene","","- C17 H16 S -","- C17 H16 S -","- C68 H64 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0863","0.0504","","0.1856","0.1419","","","","1.04","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006406","9.01","0.004","23.124","0.008","6.888","0.003","90","","97.81","0.03","90","","1421.8","1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Butylthiophenantrene","","- C18 H18 S -","- C18 H18 S -","- C72 H72 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0779","0.0596","","0.1664","0.1303","","","","1.964","2.169","2.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006407","29.268","0.003","8.9925","0.0006","13.569","0.002","90","","115.063","0.006","90","","3235","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hydrogen bis[bis(N,N-dimethylthiocarbamoylthio)acetate]","","- C20 H39 N5 O4 S8 -","- C20 H39 N5 O4 S8 -","- C80 H156 N20 O16 S32 -","4","0.5","KH1134","Ng, Seik Weng","Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]","Acta Crystallographica Section C","1997","53","8","1111","1113","10.1107/S0108270197004204","","","0.71073","MoKα","","0.0499","0.0391","","0.1043","0.0985","","","","1.037","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006408","9.515","0.001","12.234","0.001","12.787","0.001","89.888","0.008","97.377","0.009","90.29","0.009","1476.1","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[aqua(chlorodifluoroacetato)triphenyltin-1,10-phenanthroline]","","- C32 H25 Cl F2 N2 O3 Sn -","- C32 H25 Cl F2 N2 O3 Sn -","- C64 H50 Cl2 F4 N4 O6 Sn2 -","2","1","KH1135","Ng, Seik Weng","Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline]","Acta Crystallographica Section C","1997","53","8","1059","1061","10.1107/S0108270197003867","","","0.71073","MoKα","","0.063","0.0557","","0.1447","0.1397","","","","1.087","1.14","1.14","","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2006409","10.3733","0.001","14.724","0.003","20.471","0.001","90","","90","","90","","3126.7","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","KH1140","Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)","Acta Crystallographica Section C","1997","53","8","1012","1013","10.1107/S0108270197003636","","","0.7093","MolybdenumKα","","0.04","0.04","","0.032","0.032","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006410","15.2699","0.0009","6.833","0.002","19.9199","0.0013","90","","90","","90","","2078.4","0.6","293","1","293","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C96 H112 O24 -","8","1","KH1143","Gable, Robert W.; Gan, Chee Yong; Lambert, John N.","Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate","Acta Crystallographica Section C","1997","53","8","1122","1124","10.1107/S0108270197002898","","","1.5418","CuKα(nickelfiltered)","","0.095","0.05","","0.151","0.121","","","","1.027","1.151","1.151","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006411","14.4679","0.001","11.5916","0.001","11.456","0.003","90","0.01","107.05","0.01","90","0.009","1836.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O4 S Si -","- C16 H23 N O4 S Si -","- C64 H92 N4 O16 S4 Si4 -","4","1","KH1145","White, Jonathan M.; Green, Alison J.","<i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate","Acta Crystallographica Section C","1997","53","8","1084","1086","10.1107/S0108270197003521","","","1.5418","CuKα","","0.0688","0.0504","","0.1463","0.1307","","","","1.049","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006412","9.079","0.001","10.188","0.002","14.92","0.002","74.49","0.01","80","0.01","83.13","0.01","1305.7","0.3","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","5,8-di(4-methoxy-2,3,6-trimethylbenzenesulphonyl)-1,4-dioxa-5,8-diazaocane","","- C24 H34 N2 O8 S2 -","- C24 H34 N2 O8 S2 -","- C48 H68 N4 O16 S4 -","2","1","MU1298","Van Meervelt, Luc; Kong Thoo Lin, Paul","5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane","Acta Crystallographica Section C","1997","53","8","1131","1133","10.1107/S0108270197003806","","","1.54178","CuKα","","0.0604","0.058","","0.1652","0.1628","","","","1.061","1.094","1.094","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006413","14.251","0.005","11.548","0.005","14.28","0.007","90","","99.89","0.03","90","","2315.1","1.7","193","1","193","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Tetrachloro-[4-(2-(phenylamino)pyridinium)butoxo-O] (tetrahydrofuran-O)zirconium(IV)","","- C19 H26 Cl4 N2 O2 Zr -","- C19 H26 Cl4 N2 O2 Zr -","- C76 H104 Cl16 N8 O8 Zr4 -","4","1","MU1299","Polamo, Mika; Mutikainen, Ilpo; Leskelä, Markku","A Tetrahydrofuran Ring-Opening Product: <i>trans</i>-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-<i>O</i>}(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1997","53","8","1036","1037","10.1107/S0108270197003818","","","0.71073","MoKα","","0.0609","0.0435","","0.1057","0.0994","","","","1.079","1.162","1.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006414","11.189","0.002","13.416","0.003","19.409","0.004","90","0.02","120.73","0.02","90","0.02","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(8-hydroxyquinolinate)iron(III) ethanol solvate","","- C29 H24 Fe N3 O4 -","- C29 H24 Fe N3 O4 -","- C116 H96 Fe4 N12 O16 -","4","1","MU1310","Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis","Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1043","1045","10.1107/S0108270197003831","","","0.71069","MoKα","","0.081","0.062","","0.156","0.141","","","","0.944","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006415","7.522","0.002","8.663","0.002","11.349","0.002","72.61","0.03","78.96","0.03","87.31","0.03","692.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0761","0.0376","","0.0916","0.0827","","","","1.055","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006416","7.618","0.002","8.551","0.002","11.602","0.002","73.34","0.03","77.2","0.03","87.05","0.03","706","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0436","0.03","","0.0789","0.074","","","","1.039","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006417","16.382","0.0008","6.1648","0.0006","21.6676","0.0012","90","","104.835","0.003","90","","2115.3","0.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dihydro-3-phenyl-1H-isoindol-1-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","MU1321","McNab, Hamish; Parsons, Simon; Shannon, David A.","2,3-Dihydro-3-phenyl-1<i>H</i>-isoindol-1-one at 220K","Acta Crystallographica Section C","1997","53","8","1098","1099","10.1107/S0108270197004848","","","1.54184","CuKα","","0.0454","0.0348","","0.0944","0.0893","","","","1.048","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006418","6.36","0.001","19.272","0.002","12.604","0.002","90","","93.75","0.01","90","","1541.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Diphenylguanidinium hydrogenselenite monohydrate","","- C13 H17 N3 O4 Se -","- C13 H17 N3 O4 Se -","- C52 H68 N12 O16 Se4 -","4","1","NA1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J.","<i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate","Acta Crystallographica Section C","1997","53","8","1113","1115","10.1107/S0108270197004472","","","0.71073","MoKα","","0.1156","0.0305","","0.0813","0.062","","","","1.06","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006419","11.12","0.002","18.28","0.002","7.917","0.002","90","","98.23","0.02","90","","1592.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(2-chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-b]furan-6(11H)-one","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","NA1287","Cambie, Richard C.; Milbank, Jared B. J.; Rickard, Clifton E. F.; Rutledge, P. Stewart","11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-<i>b</i>]furan-6(11<i>H</i>)-one","Acta Crystallographica Section C","1997","53","8","1102","1103","10.1107/S0108270197004289","","","0.71069","MoKα","","0.1177","0.0678","","0.237","0.182","","","","1.017","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006420","14.394","0.003","5.33","0.002","10.962","0.003","90","","99.88","0.02","90","","828.5","0.4","292","1","19","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","OA1020","Ishioka, Tsutomu; Murata, Asami; Kitagawa, Yasuyuki; Nakamura, Kazuo T.","Zinc(II) Acetate Dihydrate","Acta Crystallographica Section C","1997","53","8","1029","1031","10.1107/S0108270197004484","","","1.5418","CuKα","","","0.06","","","0.118","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006421","6.454","0.002","12.752","0.004","15.387","0.005","90","","90","","90","","1266.4","0.7","108","2","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Cs2 Mn3 Te4 -","- Cs2 Mn3 Te4 -","- Cs8 Mn12 Te16 -","4","0.25","OH1099","Wu, Eric J.; Ibers, James A.","Cs~2~Mn~3~Te~4~","Acta Crystallographica Section C","1997","53","8","993","994","10.1107/S010827019700098X","","","0.71073","MoKα","","","0.0339","","","0.0815","","","","","1.266","1.266","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006422","34.25","0.003","9.134","0.001","13.819","0.001","90","","112.7","0.1","90","","3988","3","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 N5 O2 -","- C19 H30 N5 O1.5 -","- C152 H240 N40 O12 -","8","1","PT1043","Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M.","4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate","Acta Crystallographica Section C","1997","53","8","1116","1117","10.1107/S010827019700214X","","","1.5418","CuKα","","","0.06","","","0.082","","","","","0.878","0.878","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006423","4.093","0.001","11.438","0.002","12.365","0.002","90","","90.73","0.03","90","","578.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N8 O4 -","- C6 H14 N8 O4 -","- C12 H28 N16 O8 -","2","0.5","QA0006","Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; .","Aminoguanidinium Squarate","Acta Crystallographica Section C","1997","53","8","IUC9700010","","10.1107/S0108270197099460","","","0.56086","AgKα","","0.0559","0.034","","0.0924","0.0819","","","","1.033","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006424","12.015","0.003","9.8464","0.0015","14.912","0.002","90","","90","","90","","1764.2","0.6","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione","","- C8 H10 O4 S -","- C8 H10 O4 S -","- C64 H80 O32 S8 -","8","1","QA0008","Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.","5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide","Acta Crystallographica Section C","1997","53","8","IUC9700009","","10.1107/S0108270197099472","","","0.7107","MolybdenumKα","","0.1175","0.052","","","0.1128","0.129","","","","","","0.958","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006425","8.533","0.001","12.044","0.001","13.67","0.003","91.85","0.01","92.11","0.01","100.93","0.01","1377.4","0.4","218","","218","","","","","","","","","2","P -1","-P 1","2","","","","- C16 H24 -","- C16 H24 -","- C64 H96 -","4","2","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.128","0.048","","","0.117","","","","","2.446","2.446","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006426","8.562","0.001","8.562","","16.833","0.001","90","","90","","120","","1068.67","0.14","238","","238","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- C16 H24 -","- C16 H24 -","- C48 H72 -","3","0.0833333","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.0512","0.037","","0.093","0.088","","","","1.011","1.12","1.12","","","","","has coordinates","198519","2020-10-21","18:00:00",""
"2006427","9.3767","0.0014","10.6508","0.0008","15.825","0.002","90","","90","","90","","1580.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside.","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","SK1034","Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran","Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","8","1105","1107","10.1107/S0108270197004769","","","1.54184","CuKα","","0.036","0.0329","","0.0801","","","","","1.05","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006428","29.608","0.002","23.6935","0.0009","11.8195","0.0005","90","","90","","90","","8291.6","0.7","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","","- C44 H43 N O9 Sn -","- C44 H44 N O9 Sn -","- C352 H352 N8 O72 Sn8 -","8","","SK1052","Ng, Seik Weng; Kumar Das, V.G.","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1034","1036","10.1107/S0108270197004307","","","0.71073","MoKα","","0.0625","0.0355","","0.0991","0.089","","","","0.997","1.125","1.125","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006429","9.349","0.002","11.853","0.003","13.548","0.004","77.92","0.02","69.7","0.02","68.38","0.02","1303.3","0.6","294","","294","","","","","","","","","5","P -1","-P 1","2","","[7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato]-bis(pyridine) nickel(II)","","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","1","0.5","SK1059","Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond","Bis(pyridine-<i>N</i>)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate","Acta Crystallographica Section C","1997","53","8","1027","1029","10.1107/S0108270197003995","","","0.71073","MoKα","","0.059","0.049","","","0.074","","","","","1.651","1.651","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2006430","15.7566","0.0009","15.9146","0.0009","9.5363","0.0007","90","","106.854","0.005","90","","2288.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Carbazole-barium-pentakis(THF)-THF","","","- C48 H64 Ba N2 O6 -","- C48 H64 Ba N2 O6 -","- C96 H128 Ba2 N4 O12 -","2","0.5","SK1064","Näther, Christian; Hauck, Tim; Bock, Hans","Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1997","53","8","1061","1063","10.1107/S0108270197003363","","","0.71073","MoKα","","0.0233","0.0233","","0.0564","0.0564","","","","1.148","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006431","4.934","0.002","7.422","0.001","48.561","0.001","90","0.01","90","0.02","90","0.02","1778.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Dodecanoyl-L-Serine","","- C15 H31 N O5 -","- C15 H31 N O5 -","- C60 H124 N4 O20 -","4","1","SK1078","Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter","Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate","Acta Crystallographica Section C","1997","53","8","1070","1073","10.1107/S0108270197004903","","","1.5418","Ni-filteredCuKα","","0.0558","0.0336","","0.0883","0.0787","","","","1.091","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006432","10.3727","0.0008","16.812","0.002","9.496","0.005","90","","92.585","0.014","90","","1654.3","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Authors naming system: catena-poly[{diaqua(furancarboxylato-O,O')lanthanum-bis-μ-furancarboxylato- O, O':O;O:O,O'-diaqua(furancarboxylato-O,O')lanthanum}-μ-furancarboxylato- O:O';O:O']","","- C15 H13 La O11 -","- C15 H9 La O11 -","- C60 H36 La4 O44 -","4","1","SK1088","Li, Xia; Chen, Xue-An; Zhao, Ling; Chen, Ben-Ming","<i>catena</i>-Diaquatris(α-furancarboxylato)lanthanum(III)","Acta Crystallographica Section C","1997","53","8","1015","1017","10.1107/S0108270197004022","","","0.71073","MoKα","","","0.0373","","","0.0997","","","","","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006433","10.0301","0.0006","11.7403","0.0007","11.766","0.0007","95.559","0.005","90.617","0.005","97.323","0.005","1367.38","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","2","SK1102","Frydenvang, Karla; Larsen, Ingrid Kjøller","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","Acta Crystallographica Section C","1997","53","8","1091","1093","10.1107/S0108270197004617","","","1.54184","CuKα","","0.0703","0.04","","0.1171","","0.1048","","","0.973","","","1.075","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006434","7.393","0.001","8.827","0.002","19.907","0.003","90","","90","","90","","1299.1","0.4","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","SK1104","Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl","({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","8","1088","1091","10.1107/S0108270197004290","","","1.5418","CuKα","","0.0276","0.027","","0.0758","","0.0752","","","1.082","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006435","7.529","0.002","13.278","0.002","20.457","0.003","90","","92.14","0.02","90","","2043.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl4 Cu2 N4 O4 -","- C40 H52 Cl4 Cu2 N4 O4 -","- C80 H104 Cl8 Cu4 N8 O8 -","2","0.5","TA1126","Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan","Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]","Acta Crystallographica Section C","1997","53","8","1020","1022","10.1107/S0108270197004496","","","0.71069","MoKα","","0.0724","0.0495","","0.0996","0.0893","","","","1.062","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006436","7.0337","0.0002","8.3981","0.0002","37.9873","0.0011","90","","90","","90","","2243.9","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone-3-glucuronide","17-oxoestra-1,3,5(10)-triene-3-yl-b-D-glucopyranosiduronic acid hydrate","","- C24 H32 O9 -","- C24 H29 O9 -","- C96 H116 O36 -","4","1","TA1138","C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell","An Estrone‒Glucuronide Conjugate","Acta Crystallographica Section C","1997","53","8","1082","1084","10.1107/S0108270197004629","","","0.71073","MoKα","","0.0636","0.0513","","0.133","0.1135","","","","1.132","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006437","8.364","0.002","12.684","0.003","12.224","0.002","90","","92.36","0.03","90","","1295.7","0.5","294","","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","S-methyl-(-N-(dimethylaminophenyl)-methylenedithiocarbazate","","","- C11 H15 N3 S2 -","- C11 H15 N3 S2 -","- C44 H60 N12 S8 -","4","1","TA1150","Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak","<i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate","Acta Crystallographica Section C","1997","53","8","1151","1153","10.1107/S0108270197004691","","","0.71073","MoKα","","0.0561","0.0789","","0.0803","0.0852","","","","1.08","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006438","9.28","0.05","9.83","0.04","15.24","0.1","90","","93.24","0.1","90","","1388","13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.0608","0.0491","","0.1305","0.1225","","","","1.08","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006439","13.113","0.004","15.26","0.006","6.762","0.005","90","","92.36","0.04","90","","1352","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.059","0.0474","","0.1306","0.1214","","","","1.058","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006440","7.8642","0.0013","9.423","0.004","14.008","0.004","90","","90","","90","","1038.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C32 H60 N4 O24 -","4","1","VJ1056","Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.","β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","8","1075","1077","10.1107/S0108270197003600","","","0.71073","MoKα","","0.0446","0.0328","","0.076","0.0697","","","","1.111","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006441","7.596","0.002","22.882","0.011","9.311","0.002","90","","110.18","0.02","90","","1519","0.9","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-decahydroquinoline","N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","VJ1058","A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade","3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1997","53","8","1086","1088","10.1107/S0108270197004770","","","1.5418","CuKα","","0.0722","0.0587","","0.1681","0.1588","","","","1.076","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006442","9.4077","0.0012","10.1752","0.001","12.5542","0.0013","71.698","0.009","86.98","0.009","77.019","0.01","1111.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Methano-1,4,4a,9a-Tetrahydroanthracene-9,10-Dione","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","2","AB1411","Günes̨, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Kendi, Engin; Aydın, Ali","The 4:2 Diels‒Alder Adduct of 1,3-Cyclopentadiene with 1,4-Naphthoquinone","Acta Crystallographica Section C","1997","53","9","1301","1302","10.1107/S0108270197005830","","","0.71073","MoKα","","","0.0624","","0.1292","","","","","1.481","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006443","9.951","0.002","10.877","0.002","11.156","0.002","68.2","0.02","66.68","0.02","88.39","0.02","1019.5","0.4","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Cu N2 O3 -","- C21 H30 Cu N2 O3 -","- C42 H60 Cu2 N4 O6 -","2","1","AB1436","Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao","The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate","Acta Crystallographica Section C","1997","53","9","1222","1224","10.1107/S0108270197093980","","","0.71073","MoKα","","","0.0378","","","0.0475","","","","","1.47","1.47","","","","","has coordinates","208357","2020-10-21","18:00:00",""
"2006444","11.081","0.003","15.147","0.008","15.668","0.008","90","","96.14","0.03","90","","2615","2","203","","203","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol","","- C33 H48 O -","- C33 H48 O -","- C132 H192 O4 -","4","1","AB1450","Vaissermann, Jacqueline; Lomas, John S.","A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol","Acta Crystallographica Section C","1997","53","9","1341","1343","10.1107/S010827019700629X","","","0.71069","MoKα","","","0.0875","","","","0.0892","","","","","","1.1414","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006445","13.228","0.003","12.805","0.002","16.817","0.006","90","","119.35","0.02","90","","2482.9","1.2","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O3 S2 -","- C26 H26 N2 O3 S2 -","- C104 H104 N8 O12 S8 -","4","1","AB1451","Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan","4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl‒Ethanol (1/1)","Acta Crystallographica Section C","1997","53","9","1320","1322","10.1107/S0108270197006306","","","0.71069","MoKα","","0.1478","0.05","","0.1214","0.0881","","","","0.737","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006446","8.1949","0.0008","13.754","0.0007","11.35","0.002","90.22","0.007","93.333","0.009","90.082","0.007","1277.1","0.3","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","4,12,16,24-Tetrahydroxycalix[4]arene Methanol Solvate (1:2)","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","1","AB1469","Böhmer, Volker; Ferguson, George; Frings, Michael","4,12,16,24-Tetrahydroxycalix[4]arene‒Methanol (1/2)","Acta Crystallographica Section C","1997","53","9","1293","1295","10.1107/S0108270197003703","","","0.7107","MolybdenumKα","","0.1032","0.0465","","0.1493","","0.133","","","0.957","","","1.19","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006447","5.9564","0.0008","7.883","0.0003","23.293","0.0003","90","","97.18","0.01","90","","1085.13","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CpCo(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-cyclopentadienyl)cobalt(III)","","- C8 H5 Co S5 -","- C8 H5 Co S5 -","- C32 H20 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.0758","0.0316","","0.0864","0.0733","","","","1.075","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006448","12.14","0.002","11.488","0.002","12.698","0.003","90","","110.91","0.02","90","","1654.3","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cp^*^Co(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-pentamethylcyclopentadienyl) cobalt(III)","","- C13 H15 Co S5 -","- C13 H15 Co S5 -","- C52 H60 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.09","0.05","","0.064","0.055","","","","1.11","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006449","9.678","0.008","10.701","0.009","7.28","0.006","90.15","0.05","104.32","0.05","71.59","0.05","690.8","1","294","","294","","","","","","","","","5","P -1","-P 1","2","","bis(8-aminoquinoline)dichlorodimethyltin(IV)","","- C11 H14 Cl2 N2 Sn -","- C11 H14 Cl2 N2 Sn -","- C22 H28 Cl4 N4 Sn2 -","2","1","AB1483","Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo","(8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)","Acta Crystallographica Section C","1997","53","9","1226","1228","10.1107/S0108270197006331","","","0.71073","MoKα","","","0.055","","","0.066","","","","","1.671","1.671","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006450","12.108","0.002","12.155","0.002","18.884","0.004","104.37","0.03","100.67","0.03","100.8","0.03","2565","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mo(CO)(dpepp)(dppm)] (dppm = Ph~2~PCH~2~PPh~2~, dpepp = Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~)","carbonyl[bis[2-(diphenylphosphino)ethyl)]phenylphosphine- P,P',P''][methylenebis(diphenylphosphino)- P,P']molybdenum(0)","","- C60 H55 Mo O P5 -","- C60 H55 Mo O P5 -","- C120 H110 Mo2 O2 P10 -","2","1","BK1241","George, T. Adrian; DeBord, Jeffrey R. D.; Heier, Kevin; Tisdale, Robert C.; Davies, Marcia C.; Haas, Eric J.; Ross II, Charles R.; Stezowski, John J.","[Mo(C~25~H~22~P~2~)(C~34~H~33~P~3~)(CO)]","Acta Crystallographica Section C","1997","53","9","1251","1254","10.1107/S0108270196015806","","","0.71073","MoKα","","0.0821","0.051","","0.134","0.116","","","","1.02","1.05","1.05","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006451","8.903","0.003","14.911","0.004","19.778","0.004","90","","98.337","0.002","90","","2597.8","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide.di-isopropyl azodicarboxylate","triphenylphosphine oxide . di-isopropyl azodicarboxylate adduct","","- C26 H31 N2 O5 P -","- C26 H31 N2 O5 P -","- C104 H124 N8 O20 P4 -","4","1","BK1276","Héroux, A.; Brisse, F.","Diisopropyl Hydrazocarboxylate‒Triphenylphosphine Oxide Adduct","Acta Crystallographica Section C","1997","53","9","1318","1320","10.1107/S0108270197005489","","","1.54018","CopperKα","","0.05","0.047","","0.056","0.056","","","","","4.22","4.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006452","11.5","0.004","7.97","0.002","16.521","0.003","90","","103.06","0.02","90","","1475.1","0.7","153.2","","153.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu F4 N2 O4 W -","- C10 H10 Cu0.67 F4.02 N2 O3.98 W0.67 -","- C40 H40 Cu2.68 F16.08 N8 O15.92 W2.68 -","4","1","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.04","","","0.047","","","","","3.41","3.41","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006453","10.45","0.002","13.396","0.003","16.067","0.007","90","","97.33","0.02","90","","2230.8","1.2","153.2","","153.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu F4 N4 O2 W -","- C20 H20 Cu F4.02 N4 O1.98 W -","- C80 H80 Cu4 F16.08 N16 O7.92 W4 -","4","0.5","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.038","","","0.05","","","","","4.45","4.45","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006454","10.396","0.001","14.468","0.002","12.155","0.002","90","","112.53","0.01","90","","1688.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,2,6,6-tetramethyl-piperidinyl-1-oxy-O)bis(1,1,1,5,5,5- hexafluoroacetylacetonato-O,O"")cobalt(II)","","- C28 H38 Co F12 N2 O6 -","- C28 H38 Co F12 N2 O6 -","- C56 H76 Co2 F24 N4 O12 -","2","0.5","BK1320","Dickman, Michael H.","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')bis(2,2,6,6-tetramethylpiperidinyl-1-oxy-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","9","1192","1195","10.1107/S0108270197005945","","","0.71073","MoKα","","0.0711","0.044","","0.112","0.0989","","","","1.03","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006455","6.9122","0.0006","13.1517","0.0011","7.8098","0.0007","90","","93.324","0.001","90","","708.77","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodobenzaldehyde","","- C7 H5 I O -","- C7 H5 I O -","- C28 H20 I4 O4 -","4","2","BK1329","Britton, Doyle; Young Jr, Victor G.","<i>p</i>-Iodobenzaldehyde","Acta Crystallographica Section C","1997","53","9","1359","1362","10.1107/S0108270197006288","","","0.71073","MoKα","","0.025","0.025","","0.0672","0.0671","","","","1.09","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006456","11.217","0.001","8.1008","0.0003","14.4403","0.0008","90","","104.34","0.01","90","","1271.26","0.15","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","","- C16 H10 Cl2 -","- C16 H10 Cl2 -","- C64 H40 Cl8 -","4","1","BK1334","Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","Acta Crystallographica Section C","1997","53","9","1334","1335","10.1107/S0108270197006355","","","1.54184","Cu-Kα","","","0.039","","","","0.059","","","","","","2.301","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006457","10.58","0.002","5.034","0.002","25.762","0.002","90","","91.56","0.01","90","","1371.6","0.6","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-(3-phenanthryl)butanoic acid","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","BK1335","Gerkin, Roger E.","4-(3-Phenanthryl)butanoic Acid","Acta Crystallographica Section C","1997","53","9","1275","1278","10.1107/S0108270197006367","","","0.71073","MoKα","","","0.062","","","","0.115","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006458","10.77","0.002","10.045","0.002","16.499","0.004","90","","105.07","0.02","90","","1723.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6a,7-dihydro-2,6-dimethyl-7-phenyl- 6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a] pyrimidine-6a-ol","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","BM1134","Kovalevsky, A. Yu.; Chebanov, V. A.; Desenko, S. M.; Komykhov, S. A.; Orlov, V. D.; Shishkin, O. V.; Meier, H.","6a,7-Dihydro-2,6-dimethyl-7-phenyl-6<i>H</i>-chromeno[4,3-<i>d</i>]-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-6a-ol","Acta Crystallographica Section C","1997","53","9","1356","1357","10.1107/S0108270197003569","","","0.71073","MoKα","","0.091","0.043","","0.201","0.108","","","","1.152","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006459","25.76","0.004","8.159","0.0018","27.156","0.004","90","","116.257","0.012","90","","5118.6","1.7","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 As Cl F6 N2 S2 -","- C7 H4 As Cl F6 N2 S2 -","- C112 H64 As16 Cl16 F96 N32 S32 -","16","4","BM1156","Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G.","5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate","Acta Crystallographica Section C","1997","53","9","1208","1211","10.1107/S0108270197009165","","","0.71073","MoKα","","0.0646","0.0413","","0.1154","0.1001","","","","1.075","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006460","9.827","0.004","9.827","0.004","31.658","0.006","90","","90","","120","","2647.6","1.6","295","2","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br4 Re6 Se7 -","- Br4 Re6 Se7 -","- Br24 Re36 Se42 -","6","0.166667","BR1146","Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut","Re~6~Se~7~Br~4~","Acta Crystallographica Section C","1997","53","9","1178","1180","10.1107/S0108270197004666","","","0.56083","AgKα","","","0.026","","","0.037","","","","","3.304","3.304","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006461","14.067","0.001","8.163","0.002","8.161","0.002","90","","90","","90","","937.1","0.3","293","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs F5 Tb -","- Cs F5 Tb -","- Cs8 F40 Tb8 -","8","","BR1167","Gaumet, Vincent; Avignant, Daniel","Caesium Pentafluoroterbate, CsTbF~5~","Acta Crystallographica Section C","1997","53","9","1176","1178","10.1107/S0108270197005556","","","0.71073","MoKα","","","0.026","","","0.028","","","","","1.339","1.339","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006462","7.848","0.002","19.867","0.004","10.773","0.003","90","","90","","90","","1679.7","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","hydrated strontium iron (III) fluoride","","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","0.5","","Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion","Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride","Acta Crystallographica Section C","1997","53","","1165","1166","","","","","","","","0.0321","","","0.0683","","","","","","","","","","","has coordinates","191889","2020-10-21","18:00:00",""
"2006463","5.1636","0.001","8.0324","0.001","14.8009","0.0002","95.796","0.001","90.315","0.001","108.078","0.001","580.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","cesium trizinc phosphate bis(hydrogenphosphate)","","- Cs H2 O12 P3 Zn3 -","- Cs O12 P3 Zn3 -","- Cs2 O24 P6 Zn6 -","2","1","BR1177","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains","Acta Crystallographica Section C","1997","53","9","1170","1173","10.1107/S0108270197004423","","","0.71073","MoKα","","0.0479","0.0384","","0.11","0.0904","","","","0.988","0.909","0.909","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006464","14.636","0.002","15.185","0.003","17.928","0.002","90","","90","","90","","3984.5","1.1","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{2,6-bis[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin- 2-yl]pyridine-N^1^,N,N^1^'}chloro-copper(II) hexafluorophosphate methanol solvate","","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C158 H172 Cl4 Cu4 F24 N20 O2 P4 -","4","1","CF1153","Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas","A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand","Acta Crystallographica Section C","1997","53","9","1236","1238","10.1107/S0108270197003673","","","0.71069","MoKα","","0.196","0.059","","","0.139","0.179","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006465","12.201","0.002","12.8625","0.0014","18.571","0.002","90","","90","","90","","2914.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isoalangidiol monoacetate","(3α,18α)-B':A'-Neogammacerane-3,18-diol","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","1","DE1038","Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar","Isoalangidiol Monoacetate, a Triterpene Alcohol","Acta Crystallographica Section C","1997","53","9","1299","1301","10.1107/S0108270196014126","","","0.71073","MoKα","","0.0655","0.0525","","0.1575","0.1353","","","","0.981","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006466","18.033","0.009","14.019","0.009","8.973","0.005","90","","90","","90","","2268","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","α-(4‒Hydroxy phenyl)-N-Phenyl nitrone","N-(p-Hydroxy Benzylidene)phenylamine N-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","DE1054","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1997","53","9","1343","1344","10.1107/S010827019700560X","","","0.7071","MoKα","","0.146","0.035","","0.115","0.079","","","","0.972","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006469","8.619","0.001","13.983","0.001","7.344","0.001","94.17","0.01","68.69","0.01","102.14","0.01","806.13","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium 1,6-diammoniumhexane cyclotriphosphate dihydrate","","- C6 H22 N2 Na O11 P3 -","- C6 H22 N2 Na O11 P3 -","- C12 H44 N4 Na2 O22 P6 -","2","1","DU1172","Thabet, Hédi; Jouini, Amor","Sodium 1,6-Hexanediammonium Cyclotriphosphate Dihydrate","Acta Crystallographica Section C","1997","53","9","1182","1184","10.1107/S0108270197005623","","","0.71069","MoKα","","0.0357","0.0259","","0.0754","0.0696","","","","1.05","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006470","22.822","0.003","7.667","0.001","14.697","0.001","90","","106.31","0.01","90","","2468.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-benzoyl-2-methylindole","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","FG1244","M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia","3-Benzoyl-2-methylindole","Acta Crystallographica Section C","1997","53","9","1345","1347","10.1107/S0108270197005180","","","1.5418","CuKα","","0.0701","0.0644","","0.1547","0.1503","","","","1.13","1.203","1.203","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006471","11.38","0.002","11.541","0.002","17.111","0.003","104.95","0.02","98.2","0.02","91.1","0.02","2145.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Triphenylsilyl(pentacarbonyl)manganese(I)","","","- C23 H15 Mn O5 Si -","- C23 H15 Mn O5 Si -","- C92 H60 Mn4 O20 Si4 -","4","2","FG1256","Anne-Marie Lebuis; Dharamdat Christendat; Denis F. R. Gilson; Ian S. Butler","Pentacarbonyl(triphenylsilyl)manganese(I)","Acta Crystallographica Section C","1997","53","9","1206","1208","10.1107/S0108270197005192","","","0.7107","MoKα","","0.1542","0.069","","0.1078","0.0863","","","","0.918","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006472","13.847","0.003","9.232","0.002","14.681","0.003","90","","108.57","0.03","90","","1779","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","bis(triphenylphosphinesulfide-S)gold(I) difluorophosphate(V)","","- C36 H30 Au F2 O2 P3 S2 -","- C36 H30 Au F2.024 O2.024 P3 S2 -","- C72 H60 Au2 F4.048 O4.048 P6 S4 -","2","0.5","FG1269","LeBlanc, Daren J.; Britten, James F.; Lock, Colin J.L.","Bis(triphenylphosphine sulfide-<i>S</i>)gold(I) Difluorophosphate(V)","Acta Crystallographica Section C","1997","53","9","1204","1206","10.1107/S0108270197005209","","","0.56086","AgKα","","0.0728","0.0496","","0.1164","0.1095","","","","0.912","1.025","1.025","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006473","15.266","0.002","16.262","0.003","14.1071","0.0015","90","","90","","90","","3502.2","0.9","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","FG1285","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate","Acta Crystallographica Section C","1997","53","9","1262","1263","10.1107/S0108270197005258","","","1.5418","CuKα","","0.0569","0.0406","","","","0.1178","","","","","","2.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006474","8.766","0.002","17.885","0.002","12.612","0.002","90","","103.661","0.011","90","","1921.4","0.6","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","FG1286","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide","Acta Crystallographica Section C","1997","53","9","1263","1265","10.1107/S010827019700526X","","","1.5418","CuKα","","0.072","0.043","","","","0.119","","","","","","1.78","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006475","7.4058","0.0009","8.7129","0.001","6.0114","0.0006","94.915","0.01","102.386","0.01","114.847","0.008","336.96","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","2-bromosenecioic acid","2-bromo-3-methyl-2-butenoic acid","","- C5 H7 Br O2 -","- C5 H7 Br O2 -","- C10 H14 Br2 O4 -","2","1","FG1293","Gerkin, Roger E.","2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid)","Acta Crystallographica Section C","1997","53","9","1278","1280","10.1107/S0108270197005647","","","0.71073","MoKα","","","0.043","","","","0.029","","","","","","1.81","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006476","19.604","0.002","9.7659","0.0012","17.8787","0.0018","90","","105.524","0.008","90","","3298","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,13-Dithia[3]metacyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C160 H144 S16 -","8","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.0476","0.0354","","0.0976","0.0934","","","","1.025","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006477","8.846","0.002","13.178","0.003","13.876","0.003","90","","101.28","0.02","90","","1586.3","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,13-Dithia[3]metacyclo[3](1,7)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.09","0.0513","","0.1273","0.1147","","","","0.921","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006478","20.12","0.004","13.075","0.004","6.149","0.004","90","","90","","90","","1617.6","1.2","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H26 O -","- C18 H26 O -","- C72 H104 O4 -","4","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0627","0.0368","","","","0.1104","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006479","12.853","0.001","32.252","0.003","7.945","0.001","90","","90","","90","","3293.5","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 S -","- C18 H26 S -","- C144 H208 S8 -","8","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0641","0.0472","","","","0.1189","","","","","","2.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006480","23.91","0.003","5.492","0.004","16.831","0.003","90","","112.208","0.012","90","","2046.2","1.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diethyl-bis-thiophenyl propenoato tin complex","","","- C18 H20 O4 S2 Sn -","- C18 H20 O4 S2 Sn -","- C72 H80 O16 S8 Sn4 -","4","0.5","FG1299","Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad","Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)","Acta Crystallographica Section C","1997","53","9","1211","1213","10.1107/S0108270197005210","","","0.71069","MoKα","","0.0582","0.0334","","0.211","0.0839","","","","1.215","1.204","1.204","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006481","11.65","0.003","8.53","0.007","26.837","0.003","90","","97.6","0.01","90","","2643","2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 -","- C28 H37 N O5 -","- C112 H148 N4 O20 -","4","2","FG1301","Fu, Tai Y.; Scheffer, John R.; Trotter, James","4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (<i>S</i>)-({-})-Proline","Acta Crystallographica Section C","1997","53","9","1259","1262","10.1107/S0108270197005295","","","1.5418","CuKα","","0.089","0.053","","","","0.149","","","","","","1.66","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006482","12.9397","0.0012","4.9019","0.0004","23.18","0.0003","90","","90.703","0.009","90","","1470.18","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6,7-Trimethyl-3-(2'-pyridine)-3,4-dihydro-4-oxoquinazoline-8-carboxylic Acid","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FG1307","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1291","1293","10.1107/S0108270197005659","","","1.54178","CuKα","","0.0934","0.0534","","0.1949","0.1214","","","","1.307","0.993","0.993","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006483","9.751","0.001","12.133","0.0002","13.9205","0.0009","90","","105.654","0.008","90","","1585.8","0.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","FG1311","Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J.","Intermediates in the Synthesis of Cembrane Diterpenes. I","Acta Crystallographica Section C","1997","53","9","1282","1284","10.1107/S0108270197005325","","","0.71073","MoKα","","0.1147","0.0574","","0.1824","0.1378","","","","1.1","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006484","12.038","0.002","5.506","0.001","13.087","0.001","90","","94.576","0.009","90","","864.7","0.2","208","","208","","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-2-phenylcyclopropanecarboxylic acid","(+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","2","FG1312","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K","Acta Crystallographica Section C","1997","53","9","1280","1282","10.1107/S0108270197005660","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.6","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006485","10.5549","0.001","14.3979","0.0014","18.135","0.0002","96.474","0.008","90.053","0.006","96.379","0.008","2721.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 Cl13 O4 P3 -","- C45 H54 Cl13 O4 P3 -","- C90 H108 Cl26 O8 P6 -","2","1","FG1315","Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg","An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6","Acta Crystallographica Section C","1997","53","9","1310","1312","10.1107/S0108270197004721","","","0.71073","MoKα","","0.0835","0.0575","","0.1818","0.1587","","","","1.049","1.172","1.172","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006486","9.218","0.002","16.055","0.004","13.804","0.002","90","","94.89","0.02","90","","2035.5","0.7","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 S -","- C22 H28 S -","- C88 H112 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","0.7107","MoKα","","","0.0513","","","","0.1553","","","","","","1.31","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006487","11.336","0.001","13.136","0.002","14.24","0.002","90","","96.667","0.009","90","","2106.1","0.5","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O S -","- C23 H30 O S -","- C92 H120 O4 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","1.5418","CuKα","","","0.0472","","","","0.1445","","","","","","2.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006488","7.8306","0.0008","10.0242","0.0008","9.5404","0.0012","90","","92.282","0.01","90","","748.28","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-chlorodimesylamine","","- C2 H6 Cl N O4 S2 -","- C2 H6 Cl N O4 S2 -","- C8 H24 Cl4 N4 O16 S8 -","4","1","FG1321","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine","Acta Crystallographica Section C","1997","53","9","1305","1307","10.1107/S0108270197005301","","","0.71073","MoKα","","0.0222","0.0207","","0.0555","0.0549","","","","1.07","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006489","16.84","0.004","10.859","0.003","10.039","0.002","90","","90","","90","","1835.8","0.8","178","2","178","2","","","","","","","","5","C m c 21","C 2c -2","36","","(Acetonitrilo)(η^5^-1,3-di-t-butylcyclopentadienyl)trichloromolybdenum(IV)","","- C15 H24 Cl3 Mo N -","- C15 H24 Cl3 Mo N -","- C60 H96 Cl12 Mo4 N4 -","4","0.5","FG1323","Scheer, Manfred; Jones, Peter G.","(Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV)","Acta Crystallographica Section C","1997","53","9","1198","1199","10.1107/S0108270197005313","","","0.71073","MoKα","","0.0176","0.0173","","0.0435","0.0433","","","","1.123","1.127","1.127","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006490","6.0389","0.0004","32.772","0.003","7.3695","0.0008","90","","97.75","0.008","90","","1445.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Silver(I) Di(4-fluorobenzenesulfonyl)amide Monohydrate","","- C12 H10 Ag F2 N O5 S2 -","- C12 H10 Ag F2 N O5 S2 -","- C48 H40 Ag4 F8 N4 O20 S8 -","4","1","FG1325","Weitze, Achim; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVI. Silver(I) Bis(4-fluorobenzenesulfonyl)amide Monohydrate","Acta Crystallographica Section C","1997","53","9","1195","1197","10.1107/S0108270197005672","","","0.71073","MoKα","","0.0382","0.0274","","0.0661","0.0628","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006491","9.941","0.002","12.084","0.003","14.001","0.003","90","","110.14","0.02","90","","1579.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(β-naphthyliminomethyl)-2-naphtholato-N,O]nickel(II)","","- C42 H28 N2 Ni O2 -","- C42 H28 N2 Ni O2 -","- C84 H56 N4 Ni2 O4 -","2","0.5","FG1334","Gavranić, Marijana; Kaitner, Branko; Meštrović, Ernest","Bis[<i>N</i>-(β-naphthyl)-2-oxy-1-naphthaldiminato]nickel(II)","Acta Crystallographica Section C","1997","53","9","1232","1234","10.1107/S0108270197007038","","","0.71069","MolybdenumKα","","","0.034","","","0.054","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006492","11.697","0.006","12.788","0.007","14.138","0.007","99.72","0.04","100.14","0.04","109.04","0.03","1908.8","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H41 N5 O7 -","- C45 H41 N5 O7 -","- C90 H82 N10 O14 -","2","1","FG1339","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System","Acta Crystallographica Section C","1997","53","9","1363","1366","10.1107/S0108270197007609","","","0.71073","MoKα","","0.158","0.071","","0.145","0.11","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006493","7.946","0.002","7.19","0.003","13.593","0.002","90","","94.58","0.01","90","","774.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N2 O2 -","- C9 H6 N2 O2 -","- C36 H24 N8 O8 -","4","1","FR1032","Okabe, Nobuo; Akita, Mayumi","5-Hydroxyimino-8-quinolone","Acta Crystallographica Section C","1997","53","9","1324","1325","10.1107/S0108270197006227","","","0.71069","MoKα","","","0.063","","","0.058","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2006494","7.6381","0.0002","8.0844","0.0001","12.5955","0.0004","99.042","0.001","93.042","0.002","92.225","0.002","766.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C28 H36 Cl2 N6 O8 -","2","1","FR1045","Abboud, Khalil A.; Ortiz, Carlos G.; Palenik, Ruth C.; Palenik, Gus J.","2-[1-(Salicyloylhydrazono)ethyl]pyridinium Chloride Dihydrate at 173K","Acta Crystallographica Section C","1997","53","9","1322","1323","10.1107/S0108270197004745","","","0.71073","MoKα","","0.043","0.036","","0.108","0.09","","","","1.094","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006495","19.824","0.002","5.373","0.002","21.638","0.001","90","","113.308","0.006","90","","2116.7","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenanthrene-9-carboxylic acid","phenanthrene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","FR1046","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1265","1267","10.1107/S0108270197005787","","","0.71073","MoKα","","","0.044","","","","0.048","","","","","","1.64","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006496","11.497","0.002","12.507","0.002","11.789","0.002","90","","101.64","0.02","90","","1660.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate","","","- C17 H14 O11 -","- C17 H14 O11 -","- C68 H56 O44 -","4","1","FR1049","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate","Acta Crystallographica Section C","1997","53","9","1267","1270","10.1107/S0108270197006069","","","0.71073","MoKα","","","0.054","","","","0.049","","","","","","1.49","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006497","6.686","0.003","11.304","0.009","6.399","0.002","95.46","0.04","113.56","0.03","83.54","0.05","439.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","4,4-dimethyl-5-iodo-2-oxazineone","","- C6 H10 I N O2 -","- C6 H9 I N O2 -","- C12 H18 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.08","0.064","","","0.082","","","","","2.216","2.216","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006498","6.165","0.0009","6.762","0.001","11.761","0.001","102.81","0.01","90.09","0.01","117.05","0.01","422.82","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","1-methyl-1-(1-iodoethyl)-2-oxazolidinone","","- C6 H10 I N O2 -","- C6 H10 I N O2 -","- C12 H20 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.032","0.025","","","0.037","","","","","1.39","1.39","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006499","42.768","0.009","11.338","0.002","10.123","0.001","90","","102.16","0.01","90","","4798.5","1.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-iodo-6-(n-pentyl)-2-oxazineone","","- C9 H16 I N O2 -","- C9 H16 I N O2 -","- C144 H256 I16 N16 O32 -","16","2","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.086","0.039","","","0.05","","","","","1.86","1.86","","","","","has coordinates,has Fobs","208362","2020-10-21","18:00:00",""
"2006500","9.07","0.001","9.734","0.001","9.779","0.002","117.86","0.01","112.16","0.01","92.36","0.01","681.5","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(3-picoline)palladium(II) chloride trihydrate","","- C24 H32 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","1","0.5","JZ1170","Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng","4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1997","53","9","1218","1220","10.1107/S0108270197002576","","","0.71073","MoKα","","0.032","0.032","","0.083","0.083","","","","1.109","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006501","13.869","0.001","12.606","0.002","19.699","0.005","90","","96.94","0.01","90","","3418.8","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonylchloro[2-(diphenylphosphanyl)thiophenolato-P,S]hydridotriphenyl phosphaneiridium(III)-Dichloromethane-(4:1)-Solvate","","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C149 H122 Cl6 Ir4 O4 P8 S4 -","4","1","JZ1186","Dahlenburg, Lutz","Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1)","Acta Crystallographica Section C","1997","53","9","1190","1192","10.1107/S0108270197005167","","","0.7107","MoKα","","0.0846","0.0555","","0.1672","0.1462","","","","1.068","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006502","14.4318","0.0014","10.2646","0.001","17.997","0.002","90","","103.689","0.001","90","","2590.3","0.5","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(±)-tert-Butyl 3-Hydroxy-4-methyl-2-[(toluolsulfonyl)amino]butanoate","","- C23 H31 Cl2 N O5 S -","- C23 H31 Cl2 N O5 S -","- C92 H124 Cl8 N4 O20 S4 -","4","2","JZ1189","Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland","(±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate‒Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair","Acta Crystallographica Section C","1997","53","9","1302","1305","10.1107/S0108270197006033","","","0.71073","MoKα","","0.0466","0.0412","","0.0982","0.0937","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006503","7.875","0.003","24.756","0.01","14.582","0.006","90","","104.26","0.03","90","","2755.2","1.9","126","2","126","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound (1)","13^1^-Deoxo-17-depropionic acid-17-propionyl-phytochlorin","","- C33 H40 N4 -","- C33 H40 N4 -","- C132 H160 N16 -","4","2","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0824","0.0576","","0.1397","0.1257","","","","1.022","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006504","9.703","0.003","11.906","0.002","13.685","0.003","99.11","0.02","107.84","0.02","106.67","0.02","1388.1","0.7","126","2","126","2","","","","","","","","4","P -1","-P 1","2","compound (2)","Phytoporphyrin methyl ester","","- C34 H36 N4 O3 -","- C34 H36 N4 O3 -","- C68 H72 N8 O6 -","2","1","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0909","0.0654","","0.1985","0.1742","","","","1.037","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006505","12.724","0.0004","6.703","0.0005","16.8484","0.0013","90","","90","","90","","1436.98","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)","","- C15 H15 Cu N3 O3 -","- C15 H15 Cu N3 O3 -","- C60 H60 Cu4 N12 O12 -","4","0.5","JZ1198","Warda, Salam A.","Monomeric (Pyrazine-<i>N</i>)(<i>N</i>-salicylidene-α-amino-2-methylpropanoato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","9","1186","1188","10.1107/S010827019700543X","","","0.71073","MoKα","","0.0318","0.0263","","0.0814","0.0779","","","","1.087","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006506","16.2226","0.0013","17.8756","0.0015","19.0452","0.0018","90","","90","","90","","5522.9","0.8","150","2","150","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene","","- C22 H46 Si4 -","- C22 H46 Si4 -","- C176 H368 Si32 -","8","0.25","JZ1201","Nagel, Norbert; Ansari, Manssur; Bock, Hans","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K","Acta Crystallographica Section C","1997","53","9","1329","1331","10.1107/S0108270197005179","","","0.71073","MoKα","","0.0472","0.0356","","0.0927","0.0862","","","","1.089","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006507","9.534","0.002","10.486","0.002","10.486","0.002","109.05","0.01","92","0.01","110.64","0.01","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato- κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate","","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","1","0.5","JZ1202","Baumeister, Ute; Hartung, Helmut","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''')bis[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)] Monohydrate","Acta Crystallographica Section C","1997","53","9","1246","1248","10.1107/S0108270197004757","","","0.71073","MoKα","","0.0572","0.0316","","0.084","0.0768","","","","1.006","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006508","10.0033","0.0001","10.0382","0.0001","14.3045","0.0001","90.619","0.001","99.805","0.001","113.053","0.001","1297.61","0.02","140","","140","","","","","","","","","2","P -1","-P 1","2","","6,6-Diphenylfulvene","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","2","JZ1206","Bolte, Michael; Amon, Michael","6,6-Diphenylfulvene at 140K","Acta Crystallographica Section C","1997","53","9","1354","1356","10.1107/S0108270197005854","","","0.71073","MoKα","","0.0628","0.0417","","0.1017","0.0909","","","","1.03","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006509","25.524","0.008","15.174","0.005","10.978","0.003","90","","109.07","0.03","90","","4018","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphane]tungsten-dichloromethane (4/1)","","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C169 H138 Cl2 O24 P8 W4 -","4","0.5","KA1228","Dahlenburg, Lutz; Herbst, Konrad; Knoch, Falk","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphine-<i>P</i>]tungsten Dichloromethane 0.25-Solvate","Acta Crystallographica Section C","1997","53","9","1188","1190","10.1107/S0108270197006136","","","0.71073","MoKα","","0.0454","0.0402","","0.1478","0.1453","","","","1.165","1.232","1.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006510","14.53","0.006","13.29","0.006","14.231","0.006","90","","110.31","0.03","90","","2577","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Tricyanomethanido)bis(2,2'-bipyridine)copper(II) Tricyanomethanide","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1238","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(tricyanomethanido-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1997","53","9","1215","1218","10.1107/S0108270197006161","","","0.71073","MoKα","","0.0936","0.036","","0.1153","0.0882","","","","0.662","0.744","0.744","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006511","17.427","0.002","10.021","0.005","28.639","0.003","90","","106.71","0.01","90","","4790","3","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Cu2 N4 P2 S6 W -","- C44 H46 Cu2 N4 P2 S6 W -","- C176 H184 Cu8 N16 P8 S24 W4 -","4","0.5","KH1106","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu","A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]","Acta Crystallographica Section C","1997","53","9","1220","1221","10.1107/S0108270196014710","","","0.71069","MoKα","","","0.0368","","","0.0374","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006512","18.214","0.005","7.416","0.002","12.037","0.003","90","","108.49","0.02","90","","1542","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-5-(2-naphthyl)-1,2,4-trioxolane-3-carbonitrile","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","KH1149","Kunsoo Lee; Taesung Huh; Hoseop Yun","The Stereochemical Assignment of the Ozonide 5-(2-Naphthyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile","Acta Crystallographica Section C","1997","53","9","1325","1327","10.1107/S010827019700646X","","","0.7107","MoKα","","0.0763","0.0719","","0.2119","0.2069","","","","1.053","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006513","8.6351","0.0008","15.6177","0.001","8.8929","0.0015","90","","115.486","0.008","90","","1082.6","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O8 -","- C18 H26 N4 O8 -","- C36 H52 N8 O16 -","2","0.5","LN1002","Lo, Jem-Mau; Yao, Hsueh-Hua; Lu, Tian-Huey","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,4-butanediammonium Dinitrate","Acta Crystallographica Section C","1997","53","9","1327","1329","10.1107/S0108270197005878","","","0.7107","MolybdenumKα","","0.043","0.042","","0.049","0.048","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006514","6.231","0.001","9.447","0.001","9.394","0.001","90","","92.32","0.01","90","","552.52","0.12","205","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(trichlorosilyl)ethane","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","","- C2 H4 Cl6 Si2 -","- C2 H4 Cl6 Si2 -","- C4 H8 Cl12 Si4 -","2","0.5","LN1006","Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","Acta Crystallographica Section C","1997","53","9","1335","1337","10.1107/S0108270197005866","","","0.71069","MoKα","","0.0232","0.019","","0.0619","0.05","","","","1.12","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006515","7.802","0.002","13.221","0.003","7.142","0.001","90","","91.24","0.03","90","","736.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylammonium trichloropalladate","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","MU1264","Eric S. Raper; Maria Kubiak; Tadeusz Głowiak","Dimethylammonium Trichloropalladate","Acta Crystallographica Section C","1997","53","9","1201","1204","10.1107/S010827019700379X","","","0.71069","MoKα","","0.0336","0.0267","","0.0673","0.0652","","","","1.192","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006516","5.751","0.002","7.718","0.003","12.469","0.004","90","","102.76","0.03","90","","539.8","0.3","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","calcium D-3-phoshoglycerate tetrahydrate","","- C3 H13 Ca O11 P -","- C3 H13 Ca O11 P -","- C6 H26 Ca2 O22 P2 -","2","1","MU1266","Jerzykiewicz, Lucjan B.; Lis, T.","Calcium <small>D</small>-3-Phosphoglycerate Tetrahydrate at 85K","Acta Crystallographica Section C","1997","53","9","1249","1251","10.1107/S0108270197005143","","","0.71069","MoKα","","0.0285","0.0227","","0.0567","0.055","","","","1.076","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006517","13.339","0.004","5.48","0.002","18.208","0.005","90","","93.73","0.02","90","","1328.1","0.7","292","","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-Pyridyl)urea","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C48 H56 N24 O8 -","8","1","MU1272","Velichka Velikova; Olyana Angelova; Krassimir Kossev","<i>N</i>-(2-Pyridyl)urea","Acta Crystallographica Section C","1997","53","9","1273","1275","10.1107/S0108270197004782","","","0.71073","MoKα","","0.065","0.039","","0.075","0.053","","","","1.449","1.028","1.028","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006518","5.215","0.001","9.167","0.003","10.597","0.004","74.61","0.03","84.65","0.02","86.42","0.05","485.9","0.3","292","","292","","","","","","","","","5","P -1","-P 1","2","","N-(2-pyridinium)urea perrhenate","","- C6 H8 N3 O5 Re -","- C6 H8 N3 O5 Re -","- C12 H16 N6 O10 Re2 -","2","1","MU1281","Velichka Velikova; Rosica Petrova; Olyana Angelova","<i>N</i>-(2-Pyridinium)urea Perrhenate","Acta Crystallographica Section C","1997","53","9","1230","1232","10.1107/S0108270197004794","","","0.71073","MoKα","","0.051","0.045","","0.115","0.081","","","","1.658","1.18","1.18","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006519","6.422","0.001","10.129","0.003","10.176","0.001","85.6","0.01","72.95","0.01","75.97","0.02","614","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(N-pyrrolidinecarbodithioato-S,S')dimethyltin(IV)","","- C7 H14 Cl N S2 Sn -","- C7 H14 Cl N S2 Sn -","- C14 H28 Cl2 N2 S4 Sn2 -","2","1","MU1288","Othman, Abdul Hamid; Fun, Hoong-Kun; M. Yamin, Bohari","Chlorodimethyl(<i>N</i>-pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1997","53","9","1228","1230","10.1107/S0108270197004861","","","0.71073","MoKα","","0.0328","0.0317","","0.085","0.0842","","","","1.152","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006520","8.386","0.002","8.149","0.002","17.267","0.004","90","","99.04","0.04","90","","1165.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","MU1289","Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix","<i>cis</i>-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-<i>a</i>]isoindol-6-one","Acta Crystallographica Section C","1997","53","9","1362","1363","10.1107/S0108270197004800","","","0.71069","MoKα","","0.0364","0.0325","","0.0898","0.0843","","","","1.045","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006521","9.465","0.002","10.505","0.002","15.797","0.003","70.63","0.03","83.13","0.03","69.87","0.03","1391.2","0.6","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N4 O6 -","- C26 H42 N4 O6 -","- C52 H84 N8 O12 -","2","1","MU1293","Lawrence C. Nathan; Michael E. Silver","A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains","Acta Crystallographica Section C","1997","53","9","1351","1354","10.1107/S0108270197005155","","","0.71073","MoKα","","0.1658","0.0666","","0.2253","0.1765","","","","0.984","1.273","1.273","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006522","19.923","0.005","41.216","0.009","10.068","0.003","90","","90","","90","","8267","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-poly[hexakis(acetonitrile)aluminium tri{[tetrachlorotellurate(IV)]μ-chloro}]-acetonitrile solvate,","","- C14 H21 Al Cl15 N7 Te3 -","- C14 H21.5 Al Cl15 N7 Te3 -","- C112 H172 Al8 Cl120 N56 Te24 -","8","1","MU1301","Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M.","A New Pentachlorotellurate(IV): <i>catena</i>-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile]","Acta Crystallographica Section C","1997","53","9","1234","1236","10.1107/S0108270197004824","","","0.7107","MoKα","","0.0379","0.0375","","0.0812","0.0788","","","","1.013","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006523","20.239","0.005","10.911","0.002","15.197","0.006","90","","126.58","0.011","90","","2694.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chlorophenyl-2,6-dimethyl phenylsulphone","","- C14 H13 Cl O2 S -","- C14 H13 Cl O2 S -","- C112 H104 Cl8 O16 S8 -","8","1","MU1313","Jeyaraman, Jeyakanthan; Velmurugan, D.","4-Chlorophenyl 2,6-Dimethylphenyl Sulfone","Acta Crystallographica Section C","1997","53","9","1344","1345","10.1107/S0108270197005714","","","0.71069","MoKα","","0.0712","0.0513","","0.1532","0.1371","","","","1.056","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006524","8.389","0.001","8.58","0.001","8.934","0.001","90","","93.689","0.002","90","","641.72","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","NA1281","Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh","3,5-Dinitro-2-{[(<i>R</i>)-({-})-1-phenylethyl]amino}pyridine","Acta Crystallographica Section C","1997","53","9","1331","1334","10.1107/S0108270197005507","","","0.71073","MoKα","","0.0549","0.0449","","0.1276","0.0971","","","","1.169","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006525","38.846","0.002","7.434","0.001","7.367","0.001","90","","90","","90","","2127.5","0.4","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","bis-(β-phenylethylammonium) tetrachlorocadmate","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","NA1289","Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid","(C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~]","Acta Crystallographica Section C","1997","53","9","1199","1201","10.1107/S0108270197005726","","","0.70926","MoKα~1~","","","","","","0.039","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006526","11.507","0.002","7.399","0.001","15.802","0.002","90","","106.83","0.01","90","","1287.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 F2 N2 S -","- C15 H10 F2 N2 S -","- C60 H40 F8 N8 S4 -","4","1","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0402","0.0332","","0.0897","0.0878","","","","1.077","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006527","7.74","0.002","13.03","0.005","14.694","0.005","83.3","0.03","79.2","0.03","76.72","0.03","1412.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-dichlorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0521","0.0381","","0.111","0.1062","","","","1.074","1.216","1.216","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006528","22.093","0.005","7.878","0.001","31.473","0.005","90","","100.28","0.03","90","","5389.9","1.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl F N2 S -","- C15 H10 Cl F N2 S -","- C240 H160 Cl16 F16 N32 S16 -","16","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.1274","0.0769","","0.2136","0.1892","","","","0.905","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006529","7.643","0.003","6.509","0.002","24.14","0.001","90","","97.76","0.03","90","","1189.9","0.6","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-nitro-pyridine : 3-nitro-2-pyridone (1 : 1)","","- C10 H9 N5 O5 -","- C10 H9 N5 O5 -","- C40 H36 N20 O20 -","4","1","NA1296","Velikova, Velichka; Kossev, Krasimir; Angelova, Olyana","1:1 Molecular Complex of 2-Amino-5-nitropyridine and 3-Nitro-2-pyridone","Acta Crystallographica Section C","1997","53","9","1270","1273","10.1107/S0108270197005799","","","0.71073","MoKα","","0.0973","0.0424","","0.138","","0.1043","","","1.023","","","1.132","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006530","7.3706","0.0003","14.3273","0.0007","15.9318","0.0008","90","","90","","90","","1682.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide","","- C17 H22 Br N O3 -","- C17 H22 Br N O3 -","- C68 H88 Br4 N4 O12 -","4","1","NA1303","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","({-})-Galanthaminium Bromide","Acta Crystallographica Section C","1997","53","9","1284","1286","10.1107/S0108270197006240","","","1.54184","CuKα","","0.0299","0.0295","","0.0811","","0.0811","","","1.044","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006531","13.177","0.002","18.645","0.003","21.8","0.003","90","","99.82","0.01","90","","5277.5","1.4","23","","296","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Dipotassium Trieuropium Trihydrogen Hexatitanooctadecatungstodigermanate","","- Eu3 Ge2 H77 K2 O114 Ti6 W18 -","- Eu3 Ge2 K2 O114 Ti6 W18 -","- Eu6 Ge4 K4 O228 Ti12 W36 -","2","0.5","OA1005","Sugeta, Moriyasu; Yamase, Toshihiro","A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate","Acta Crystallographica Section C","1997","53","9","1166","1170","10.1107/S0108270197002941","","","0.7107","MoKα","","","0.066","","","0.057","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006532","6.979","0.001","15.649","0.002","12.515","0.002","90","","90","","90","","1366.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","","- C12 H17 Cl O2 Ru -","- C12 H17 Cl O2 Ru -","- C48 H68 Cl4 O8 Ru4 -","4","1","QB0009","Abboud, Khalil A.; Yin, Jianguo; Jones, William, M.","Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","Acta Crystallographica Section C","1997","53","9","IUC9700011","","10.1107/S0108270197099459","","","0.71073","MoKα","","0.0365","0.0262","","0.0545","0.0523","","","","1.012","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006533","11.184","0.002","6.433","0.001","13.156","0.004","90","","113.72","0.01","90","","866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","","- C7 H9 N3 O2 S -","- C7 H9 N3 O2 S -","- C28 H36 N12 O8 S4 -","4","1","QB0011","Pomés Hernández, Ramón; Dago Morales, Angel; Mascarenhas, Yvonne; Moreno Carretero, Miguel; Jimenez Pulido, Sonia; Hueso Ureña, Francisco","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","Acta Crystallographica Section C","1997","53","9","IUC9700012","","10.1107/S0108270197099447","","","0.71069","MoKα","","0.1098","0.0494","","0.1349","0.1025","","","","1.052","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006534","8.4068","0.0004","11.4513","0.0005","14.9166","0.0006","76.375","0.003","81.461","0.003","71.342","0.003","1318.07","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(barium disaccharinate triglyme)","","","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","1","0.5","SK1065","Näther, Christian; Hauck, Tim; Bock, Hans","Bis(barium disaccharinate triglyme)","Acta Crystallographica Section C","1997","53","9","1244","1246","10.1107/S0108270197003351","","","0.71073","MoKα","","0.0362","0.0301","","0.0745","0.0713","","","","1.061","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006535","6.527","0.001","17.257","0.003","13.99","0.003","90","","93.58","0.03","90","","1572.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Benzoxazolyl)-3-(5-diethylamino-2-furyl)propenenitrile","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","SK1099","Ján Lokaj; Viktor Kettmann; Jarmila Štetinová; Rudolf Kada; Viktor Vrábel","2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","9","1358","1359","10.1107/S0108270197005337","","","0.71073","MoKα","","0.102","0.0629","","0.2109","0.1404","","","","0.901","1.309","1.309","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006536","12.05","0.007","14.901","0.01","8.363","0.007","103.6","0.06","99.13","0.06","74.71","0.05","1400.4","1.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C28 H60 Cl8 F6 N8 O14 Ru2 S2 -","2","1","SK1100","Levason, William; Quirk, Jeffrey J.; Reid, Gillian","<i>trans</i>-[RuCl~2~(dmf)~4~]CF~3~SO~3~.CH~2~Cl~2~","Acta Crystallographica Section C","1997","53","9","1224","1226","10.1107/S0108270197005349","","","0.71073","MoKα","","0.064","0.0448","","0.0548","0.0532","","","","2.5","2.787","2.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006537","13.5225","0.0008","6.9078","0.0003","17.6194","0.001","90","","102.327","0.005","90","","1607.9","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-methylpyridine-(N-salicylideneglycinato)copper(II) Polymer","","- C17 H18 Cu N2 O3 n -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","1","SK1101","Warda, Salam A.","<i>catena</i>-Poly[[(5-ethyl-2-methylpyridine-<i>N</i>)copper(II)]-μ-(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')]","Acta Crystallographica Section C","1997","53","9","1184","1186","10.1107/S0108270197005350","","","1.54178","CuKα","","0.0394","0.0367","","0.1051","0.1042","","","","1.07","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006538","8.985","0.0008","8.985","0.0008","17.1652","0.001","90","","90","","90","","1385.75","0.19","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","(11R-trans)-11-ethylthio-1,2,3,10,11,11a-hexahydro‒5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C56 H72 N8 O4 S4 -","4","1","SK1103","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","(11<i>R</i>,11a<i>S</i>-<i>trans</i>)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepin-5-one","Acta Crystallographica Section C","1997","53","9","1288","1290","10.1107/S0108270197005581","","","1.54178","CuKα","","0.0558","0.0529","","0.1476","0.1443","","","","1.083","1.115","1.115","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006539","6.93","0.0002","15.5478","0.0015","16.5453","0.0013","90","","90","","90","","1782.7","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'S,3'S)-3-(3'-hydroxy-2'-methyl-7'-octinoyl)-5-phenyl- 4-methyl-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","SX1016","Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia","Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids","Acta Crystallographica Section C","1997","53","9","1312","1314","10.1107/S0108270197005957","","","1.5418","CuKα","","0.0361","0.0348","","0.0948","0.093","","","","1.043","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006540","17.977","0.004","11.819","0.007","14.696","0.002","90","","90.775","0.015","90","","3122","2","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H30 Cl2 Co N8 O2 -","- C30 H30 Cl2 Co N8 O2 -","- C120 H120 Cl8 Co4 N32 O8 -","4","0.5","TA1062","Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.","[6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1997","53","9","1238","1240","10.1107/S0108270196015387","","","0.71073","MoKα","","0.149","0.149","","0.048","0.048","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006541","10.5","0.005","15.507","0.004","6.804","0.004","90","","90.48","0.05","90","","1107.8","0.9","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","TA1137","Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.","Ba~2~ErCl~7~","Acta Crystallographica Section C","1997","53","9","1180","1181","10.1107/S0108270197004502","","","0.7107","Mo_Kα","","0.047","0.032","","0.03","0.029","","","","1.442","1.527","1.527","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006542","10.597","0.002","21.337","0.002","5.855","0.001","90","","90","","90","","1323.9","0.4","296","","23","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 N2 O11 S -","- C6 H18 N2 O12 S -","- C24 H72 N8 O48 S4 -","4","1","TA1155","Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K.","An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (<small>DL</small>-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1997","53","9","1286","1288","10.1107/S0108270197006951","","","0.7107","MoKα","","","0.034","","","0.032","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006543","11.075","0.001","9.268","0.001","40.17","0.005","90","","94.05","0.01","90","","4112.9","0.8","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide] 1:2 complex monohydrate","","- C38 H48 N12 O8 S2 -","- C38 H48 N12 O8 S2 -","- C152 H192 N48 O32 S8 -","4","1","VJ1044","Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti","Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate","Acta Crystallographica Section C","1997","53","9","1295","1299","10.1107/S0108270197000425","","","1.54184","CuKα","","0.055","0.049","","","0.05","","","","","1.616","1.616","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2006544","13.087","0.001","9.835","0.001","6.015","0.002","90","","103.33","0.01","90","","753.3","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","AB1459","Helliwell, Madeleine; Smith, Joseph V.","Brochantite","Acta Crystallographica Section C","1997","53","10","1369","1371","10.1107/S0108270197006318","","","0.7107","MoKα","","0.1053","0.0416","","0.0492","0.0394","","","","1.467","1.619","1.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006545","11.388","0.002","10.171","0.002","11.767","0.005","90","0.03","90","0.03","90","0.01","1362.9","0.7","294","","294","","","","","","","","","4","P b c a","","","","","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.049","0.039","","","0.052","","","","","1.835","1.835","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006546","8.979","0.002","16.265","0.006","10.342","0.001","90","0.02","99.63","0.02","90","0.02","1489.1","0.7","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.071","0.047","","","0.062","","","","","2.165","2.165","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2006547","12.479","0.003","27.145","0.008","12.591","0.004","90","","97.4","0.01","90","","4230","2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,11,17,23-tetra(methylthio)-25,26,27,28-tetrapropoxy-calix[4]arene","","- C44 H56 O4 S4 -","- C44 H56 O4 S4 -","- C176 H224 O16 S16 -","4","1","AB1468","Schultz, Thomas M.; Hazell, Rita G.; Larsen, Mogens","The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene","Acta Crystallographica Section C","1997","53","10","1495","1497","10.1107/S0108270197007725","","","0.71073","MoKα","","","0.057","","","0.067","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006548","11.097","0.005","9.869","0.005","17.325","0.004","90","","104.9","0.02","90","","1833.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu{Ni(CN)~4~}(dien)(mea)].2H~2~O","Tetracyanonickelato(II){N-(2-aminoethyl)-1,2-ethanediamine}(2-aminoeth anol)copper(II)-water(1/2)","","- C10 H24 Cu N8 Ni O3 -","- C10 H24 Cu N8 Ni O3 -","- C40 H96 Cu4 N32 Ni4 O12 -","4","1","AB1476","Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake","Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2)","Acta Crystallographica Section C","1997","53","10","1409","1411","10.1107/S010827019700632X","","","0.71069","MoKα","","","0.0433","","","0.1087","","","","","1.102","1.102","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006549","9.511","0.001","12.754","0.002","10.363","0.001","97.42","0.01","87.45","0.01","106.81","0.01","1193.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","1","0.5","AB1485","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Dichlorobis(ferrocenyldiphenylphosphine-<i>P</i>)platinum(II)‒Benzene (1/2)","Acta Crystallographica Section C","1997","53","10","1414","1416","10.1107/S0108270197008044","","","1.54178","CuKα","","0.044","0.043","","0.112","0.109","","","","1.05","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006550","16.488","0.007","18.221","0.003","11.67","0.008","90","","103.76","0.04","90","","3405","3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(E)-3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1- pyrrolidinyl)butyl]-2-propenamide","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C144 H176 N16 O32 -","8","2","AB1491","Linden, Anthony; Kuehne, Paul; Hesse, Manfred","A Putrescine Triamide from <i>Lilium regale</i>","Acta Crystallographica Section C","1997","53","10","1472","1475","10.1107/S0108270197008457","","","0.71069","MoKα","","0.1559","0.0636","","0.2236","","0.1835","","","1.235","","","1.047","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006551","8.8144","0.0001","9.1481","0.0001","27.8748","0.0003","90","","97.827","0.001","90","","2226.74","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.084","0.048","","0.128","0.104","","","","1.01","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006552","8.7753","0.0001","9.2567","0.0001","28.1011","0.0002","90","","92.934","0.001","90","","2279.67","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.068","0.048","","0.118","0.107","","","","1.06","1.12","1.12","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006553","8.537","0.001","15.946","0.005","18.756","0.004","90","","92.53","0.02","90","","2550.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diphenyl[2,6-diacetylpyridinebis(thiosemicarbazone)]tin(IV) chloride","","- C23 H24 Cl N7 S2 Sn -","- C23 H24 Cl N7 S2 Sn -","- C92 H96 Cl4 N28 S8 Sn4 -","4","1","BK1300","Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar","<i>trans</i>-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride","Acta Crystallographica Section C","1997","53","10","1411","1414","10.1107/S0108270197007002","","","0.71073","MoKα","","0.071","0.036","","0.098","0.078","","","","1.109","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006554","3.971","0.002","8.904","0.002","31.417","0.002","90","","92.84","0.03","90","","1109.5","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-dimethoxy-2-naphthoic acid","","","- C13 H12 O4 -","- C13 H13 O4 -","- C52 H52 O16 -","4","1","BK1333","Blackburn, Anthony C.; Gerkin, Roger E.","1,4-Dimethoxy-2-naphthoic Acid","Acta Crystallographica Section C","1997","53","10","1425","1427","10.1107/S0108270197008299","","","0.71073","MoKα","","","0.059","","","","0.053","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006555","12.5744","0.0004","7.4608","0.0002","14.4604","0.0004","90","","90.304","0.001","90","","1356.58","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(4'-methoxyphenyl)-5-methyl-4-methylthio-2-pyranone","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","BM1145","Azim, Abul; Parmar, Virinder S.; Errington, William","3-Cyano-6-(4-methoxyphenyl)-5-methyl-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1436","1438","10.1107/S0108270197007336","","","0.71073","MoKα","","0.0635","0.0485","","0.11","0.1004","","","","1.177","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006556","29.0856","0.0013","9.7417","0.0004","21.114","0.0009","90","","126.853","0.001","90","","4787.1","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquatetrachlorotris(tetrahydrofuran)thorium(IV). Tetrahydrofuran Solvate.","","- C16 H34 Cl4 O5 Th -","- C16 H34 Cl4 O5 Th -","- C128 H272 Cl32 O40 Th8 -","8","1","BM1151","Spry, Marcus P; Errington, William; Willey, Gerald R","Aquatetrachlorotris(tetrahydrofuran-<i>O</i>)thorium(IV) Tetrahydrofuran Solvate (1/1)","Acta Crystallographica Section C","1997","53","10","1388","1390","10.1107/S0108270197008378","","","0.71073","MoKα","","0.0358","0.0239","","0.0498","0.0461","","","","1.026","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006557","4.939","0.002","20.11","0.006","10.003","0.003","90","","98.85","0.02","90","","981.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Author name: bis(aqua)bis(1-methoxy-4-carbomethoxy-1,3-butanedionato-O,O')zinc(II)","","- C14 H22 O12 Zn -","- C14 H22 O12 Zn -","- C28 H44 O24 Zn2 -","2","0.5","BM1165","John Fawcett; Raymond D. W. Kemmitt; David R. Russell; Kuldip Singh","Diaquabis(dimethyl 3-oxopentanedioato-<i>O</i>^1^,<i>O</i>^3^)zinc(II)","Acta Crystallographica Section C","1997","53","10","1422","1424","10.1107/S010827019700838X","","","0.71073","MoKα","","0.055","0.034","","0.092","0.081","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006558","23.0801","0.0002","5.51742","0.00006","19.5747","0.0002","90","","122.93","0.0004","90","","2092.21","0.04","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis-methylammonium heptamolybdate(VI)","","- C2 H12 Mo7 N2 O22 -","- C2 Mo7 N2 O22 -","- C8 Mo28 N8 O88 -","4","0.5","BR1181","Zavalij, Peter Y.; Whittingham, M. Stanley","The Layered Methylammonium Molybdate (NH~3~CH~3~)~2~[Mo~7~O~22~] from X-ray Powder Data","Acta Crystallographica Section C","1997","53","10","1374","1376","10.1107/S010827019700601X","","","1.54056","CuKα~1~","","","0.038","","","","","","","2.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006559","9.507","0.007","11.989","0.007","14.874","0.009","90","","92.31","0.06","90","","1694","1.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Br3 Mo N3 S3 -","- C9 H6 Br3 Mo N3 S3 -","- C36 H24 Br12 Mo4 N12 S12 -","4","1","BR1185","James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","<i>trans</i>-Tribromotris(1,3-thiazole-<i>N</i>)molybdenum(III)","Acta Crystallographica Section C","1997","53","10","1391","1393","10.1107/S0108270197007129","","","0.7107","MoKα","","0.049","0.049","","0.061","0.061","","","","2.346","2.346","2.346","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006560","9.127","0.001","10.522","0.001","37.195","0.002","90","","90","","90","","3572","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-D-Tic","tyrosyl-D-tetrahydroisoquinoline-3-carboxylic acid","","- C19 H23 N2 O5.5 -","- C19 H23 N2 O5.5 -","- C152 H184 N16 O44 -","8","2","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0529","0.0458","","0.1267","0.1207","","","","1.063","1.083","1.083","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006561","8.981","0.001","10.597","","9.703","0.001","90","","98.76","0.01","90","","912.68","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-D-Tic-NH2","tyrosyl-D-tetrahydroisoquinoline-3-carboxamide","","- C19 H23 N3 O4 -","- C19 H23 N3 O4 -","- C38 H46 N6 O8 -","2","1","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0536","0.0484","","0.1408","0.1339","","","","1.044","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006562","11.799","0.002","8.155","0.002","25.063","0.003","90","","91.11","0.01","90","","2411.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N4 O12 -","- C46 H70 N4 O12 -","- C92 H140 N8 O24 -","2","0.5","CF1074","Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut","A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling","Acta Crystallographica Section C","1997","53","10","1488","1490","10.1107/S0108270197002461","","","0.71069","MoKα","","0.0655","0.0374","","0.1269","0.104","","","","0.861","0.851","0.851","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006563","9.89","0.003","10.437","0.003","14.79","0.004","90","","97.75","0.02","90","","1512.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans 1-hydroxy-2,6-diphenyl-4-piperidone oxime ?","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0712","0.0501","","0.1383","0.128","","","","1.058","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006564","10.169","0.005","14.129","0.008","10.039","0.006","90","","90.67","0.04","90","","1442.3","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-1-hydroxy-2,6-bis(1-methyl-2-pyrrolyl)-4-piperidone oxime","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0913","0.0898","","0.2585","0.2555","","","","1.106","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006565","9.479","0.003","10.229","0.003","8.625","0.002","108.98","0.02","112.91","0.02","91.69","0.02","716.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans 1-hydroxy-2,6-bis(2-thiophenyl)-4-piperidone oxime","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C26 H28 N4 O4 S4 -","2","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0717","0.0696","","0.1938","0.1909","","","","1.064","1.1","1.1","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006566","7.8937","0.0006","10.808","0.002","19.523","0.002","90","","90","","90","","1665.6","0.4","298","2","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-lactone","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","CF1155","Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","6α-Hydroxyvouacapan-7β,17β-lactone","Acta Crystallographica Section C","1997","53","10","1508","1510","10.1107/S0108270197006057","","","0.71073","MoKα","","0.2099","0.0565","","0.1795","0.1099","","","","1.169","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006567","12.2981","0.001","12.873","0.003","12.508","0.003","90","","97.358","0.01","90","","1963.9","0.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl3 Fe N4 O4 -","- C15 H20 Cl3 Fe N4 O4 -","- C60 H80 Cl12 Fe4 N16 O16 -","4","1","CF1163","Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H.","A <i>cis</i>-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand","Acta Crystallographica Section C","1997","53","10","1385","1387","10.1107/S0108270197004459","","","0.71073","MoKα","","0.0748","0.0476","","0.1137","0.1001","","","","1.032","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006568","6.681","0.003","9.093","0.001","16.067","0.003","70.89","0.01","75.48","0.03","83.96","0.04","892.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran","","- C17 H24 N4 O5 -","- C17 H24 N4 O5 -","- C34 H48 N8 O10 -","2","1","CF1165","Lane, Alexandra L.; Rossiter, Karen J.; Sell, Charles S.; Watkin, David J.","The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative","Acta Crystallographica Section C","1997","53","10","1444","1445","10.1107/S0108270197008470","","","1.5418","CuKα","","","0.055","","","0.1771","","","","","0.741","0.741","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006569","30.404","0.004","10.276","0.001","18.742","0.003","90","","108.92","0.01","90","","5539.2","1.3","163","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 O3 P Rh -","- C34 H26 O3 P Rh -","- C272 H208 O24 P8 Rh8 -","8","2","CF1166","Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1997","53","10","1403","1405","10.1107/S0108270197007439","","","0.71073","MoKα","","","0.035","","","0.043","","","","","2.564","2.564","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006570","9.1496","0.0008","8.5119","0.0006","19.9057","0.0017","90","","98.99","0.002","90","","1531.2","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(3',4'-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enone","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","CF1168","Sharma, Nawal K.; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","1-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","1997","53","10","1438","1440","10.1107/S0108270197006677","","","0.71073","MoKα","","0.0609","0.0471","","0.1283","0.1149","","","","1.066","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006571","9.1163","0.0009","16.05","0.002","8.705","0.0008","90","","99.608","0.002","90","","1255.8","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(2'-methoxyphenyl)-4-methylthio-2-pyranone","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C56 H44 N4 O12 S4 -","4","1","CF1174","Malhotra, Sanjay; Parmar, Virinder S; Errington, William","3-Cyano-6-(2-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1442","1444","10.1107/S0108270197007294","","","0.71073","MoKα","","0.06","0.0438","","0.1232","0.1124","","","","0.992","1.049","1.049","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006572","7.726","0.002","10.22","0.002","15.169","0.003","90","","99.67","0.02","90","","1180.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 I Li O4 -","- C8 H16 I Li O4 -","- C32 H64 I4 Li4 O16 -","4","1","CF1181","Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David","<i>catena</i>-Poly[[(1,4-dioxane-<i>O</i>^1^)iodolithium]-μ-(1,4-dioxane-<i>O</i>^1^:<i>O</i>^4^)]","Acta Crystallographica Section C","1997","53","10","1387","1388","10.1107/S0108270197008482","","","0.71073","MoKα","","0.0511","0.0335","","0.0842","0.0757","","","","1.005","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006573","8.5946","0.0006","18.775","0.002","9.0289","0.0006","90","","91.58","0.04","90","","1456.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Acetoxy-4-methyoxyphenyl)-2-phenylethanone","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","CF1183","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2-Acetoxy-4-methoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","10","1440","1442","10.1107/S0108270197007567","","","0.71073","MoKα","","0.0524","0.0393","","0.1006","0.0915","","","","1.121","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006574","22.01","0.01","9.573","0.003","25.895","0.004","90","","96.37","0.02","90","","5422","3","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H62 Cs4 Dy2 N6 O33 -","- C28 H62 Cs4 Dy2 N6 O32.5 -","- C112 H248 Cs16 Dy8 N24 O130 -","4","0.5","FG1240","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Tetracaesium Bis(diethylenetriamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentacetato)didysprosate(III) Tridecahydrate","Acta Crystallographica Section C","1997","53","10","1378","1381","10.1107/S0108270197006021","","","0.7107","MoKα","","","0.0329","","","0.0372","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006575","6.9449","0.0005","10.5817","0.0005","17.8569","0.0008","74.196","0.004","78.952","0.004","73.558","0.004","1201.68","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","5-Formyl-1,1,8,8-tetrakis(methoxycarbonyl)-(4E,11Z,13E)- cyclopentadeca-4,11,13-triene","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.067","0.046","","0.068","0.061","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006576","13.549","0.002","15.413","0.002","24.49","0.002","79.073","0.011","75.749","0.009","70.254","0.012","4633.6","1.1","293","2","193","2","","","","","","","","4","P -1","-P 1","2","","rac-1S,2S,7R,10R)-(8Z)-1-p-bromobenzoyl-5,5,13,13-tetrakis(methoxycarbonyl) tricyclo[8.5.0.0^2,7^]pentadec-8-ene.","","- C31.51 H38.52 Br O10.25 -","- C31.506 H38.5197 Br O10.253 -","- C189.036 H231.118 Br6 O61.518 -","6","3","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.0845","0.0614","","0.1753","0.1568","","","","1.067","1.178","1.178","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006577","9.504","0.003","18.536","0.005","10.305","0.003","90","","112.76","0.02","90","","1674","0.9","295","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)","","- C33 H30 B Cl Mo N10 -","- C33 H30 B Cl Mo N10 -","- C66 H60 B2 Cl2 Mo2 N20 -","2","1","FG1296","Carolina Manzur; David Carrillo; Daphne Boys","Chlorobis[1,1'-diphenylhydrazido(2‒)-<i>N</i>^2^][hydridotris(pyrazolyl-<i>N</i>^2^)borato]molybdenum(VI)","Acta Crystallographica Section C","1997","53","10","1401","1403","10.1107/S0108270197007452","","","0.71073","MoKα","","0.037","0.03","","0.075","0.073","","","","1.008","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006578","7.921","0.0009","10.668","0.001","10.728","0.001","90","","94.4","0.01","90","","903.86","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","FG1310","Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L.","Intermediates in the Synthesis of <i>Daphniphyllum</i> Alkaloids. I. A Tetracyclic Oxygen Analogue","Acta Crystallographica Section C","1997","53","10","1482","1483","10.1107/S0108270197005222","","","0.71073","MoKα","","0.092","0.042","","0.117","","0.098","","","1.077","","","1.159","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006579","9.911","0.0015","5.404","0.002","10.0873","0.0013","90","","106.347","0.01","90","","518.4","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C16 H26 N6 O10 -","2","1","FG1326","Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.","(1<i>R</i>,2<i>R</i>)-4-Methylurazole-α-<small>D</small>-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-<small>D</small>-ribose","Acta Crystallographica Section C","1997","53","10","1502","1505","10.1107/S0108270197007476","","","0.71069","MoKα","","0.0728","0.0383","","0.12","","0.1037","","","1.046","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006580","11.448","0.002","12.098","0.002","19.305","0.003","90","","106.3","0.02","90","","2566.2","0.8","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-bis(5-iodo-1,3,3-trimethylindoline-2yl)monomethinium Perchlorate","","- C23 H24 Cl I3 N2 O4 -","- C23 H24 Cl I3 N2 O4 -","- C92 H96 Cl4 I12 N8 O16 -","4","1","FG1330","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3<i>H</i>-indolium Perchlorate: a Highly Overcrowded Cyanine Dye","Acta Crystallographica Section C","1997","53","10","1432","1434","10.1107/S0108270197007580","","","0.71073","MoKα","","0.037","0.0286","","0.0599","0.0558","","","","1.076","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006581","11.6191","0.0014","12.576","0.002","13.474","0.002","106.666","0.01","100.155","0.008","103.946","0.01","1765.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Di(benzenesulfonyl)sulfamide Dichloromethane Solvate (1/0.5)","","- C12.5 H13 Cl N2 O6 S3 -","- C12.5 H13 Cl N2 O6 S3 -","- C50 H52 Cl4 N8 O24 S12 -","4","2","FG1336","Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone‒Dichloromethane (1/0.5)","Acta Crystallographica Section C","1997","53","10","1429","1432","10.1107/S010827019700704X","","","0.71073","MoKα","","0.0828","0.0411","","0.0941","0.0833","","","","0.856","0.99","0.99","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006582","24.312","0.005","9.464","0.002","9.454","0.003","90","","90.06","0.02","90","","2175.3","0.9","178","2","178","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Acetamidoadamantane","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","FG1344","Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G.","1-Acetamidoadamantane","Acta Crystallographica Section C","1997","53","10","1434","1436","10.1107/S0108270197007610","","","0.71073","MoKα","","0.0595","0.0387","","0.1151","0.0986","","","","1.029","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006583","8.528","0.002","11.565","0.002","11.993","0.003","71.34","0.02","74.77","0.02","79.26","0.02","1074.5","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N4 O12 -","- C18 H30 N4 O12 -","- C36 H60 N8 O24 -","2","1","FR1042","Finnen, Daniel C.; Pinkerton, A. Alan","The Chelating Agent <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Triethylenetetraminehexacetic Acid (TTHA)","Acta Crystallographica Section C","1997","53","10","1455","1457","10.1107/S0108270197005969","","","0.71073","MoKα","","0.105","0.043","","","0.049","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006584","7.489","0.001","5.534","0.004","18.722","0.002","90","","91.3","0.03","90","","775.7","0.6","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1047","Okabe, Nobuo; Inubushi, Chika","Phenylpyruvic Acid","Acta Crystallographica Section C","1997","53","10","1449","1450","10.1107/S0108270197006525","","","0.71069","MoKα","","","0.057","","","0.07","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006585","9.134","0.001","12.328","0.001","10.314","0.001","90","","90","","90","","1161.4","0.19","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","titanium endo-isodicyclopentadienide trichloride","(η^5^-endo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","0.5","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.038","","","","0.03","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006586","12.4368","0.0008","9.062","0.0001","10.3153","0.0009","90","","90","","90","","1162.56","0.13","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","titanium exo-isodicyclopentadienide trichloride","(η^5^-exo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","1","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.026","","","","0.023","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006587","9.029","0.002","15.416","0.003","14.695","0.003","90","","107.8","0.03","90","","1947.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","","- C8 H34.72 I0.28 N8 S2.72 Y -","- C8 H34.722 I0.278 N8 S2.722 Y -","- C32 H138.888 I1.112 N32 S10.888 Y4 -","4","0.5","FR1053","George, Clifford; Purdy, Andrew P.","Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide","Acta Crystallographica Section C","1997","53","10","1381","1383","10.1107/S010827019700749X","","","0.71073","MoKα","","0.068","0.044","","0.105","0.095","","","","1.055","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006588","7.446","0.001","12.1722","0.0006","6.9261","0.0007","90","","108.93","0.01","90","","593.79","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-aminonicotinic acid","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","FR1064","Dobson, Allison J.; Gerkin, Roger E.","2-Aminonicotinic Acid","Acta Crystallographica Section C","1997","53","10","1427","1429","10.1107/S0108270197008226","","","0.71073","MoKα","","","0.062","","","","0.057","","","","","","1.74","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006589","7.667","0.001","6.862","0.001","14.608","0.002","90","","90","","90","","768.54","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Coppermolybdate","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","0.5","JZ1185","Udo Steiner; Werner Reichelt","A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination","Acta Crystallographica Section C","1997","53","10","1371","1373","10.1107/S0108270197005751","","","0.71073","MoKα","","0.0316","0.0307","","0.0729","0.0724","","","","1.338","1.344","1.344","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006590","12.079","0.003","12.15","0.003","17.641","0.004","87.02","0.03","78","0.03","60.87","0.03","2208.4","1.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","[tetrakis(μ~3~tetrahydrofurfuroxo-O,O')-tetra(ethanol)-tetrachloro- tetra(magnesium(II),manganese(II))] ethanol solvent","","- C29 H63 Cl4 Mg2 Mn2 O12.5 -","- C29 H62.5 Cl4 Mg2 Mn2 O12.5 -","- C58 H125 Cl8 Mg4 Mn4 O25 -","2","1","JZ1203","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","[(Mg~0.5~,Mn~0.5~)~4~{μ~3~,η^2^-OCH~2~CH(CH~2~)~3~O}~4~(EtOH)~4~Cl~4~].0.5EtOH","Acta Crystallographica Section C","1997","53","10","1393","1396","10.1107/S0108270197007920","","","0.71073","MoKα","","0.057","0.0442","","0.12","0.1112","","","","","1.072","1.072","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006591","10.766","0.002","10.825","0.002","11.857","0.003","71.88","0.02","63.47","0.02","73.18","0.02","1156.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-methyl-11,14,17,20-tetraoxa- 2,4,3-diazaphospha-tricyclo[20,3,1,1^5,9^]-heptacosa- 1(26),5,7,9(27),22,24-hexaene-3-sulfide","","- C21 H31 N2 O5 P S -","- C21 H31 N2 O5 P S -","- C42 H62 N4 O10 P2 S2 -","2","1","JZ1208","Declercq, Jean-Paul; Delangle, Pascale; Dutasta, Jean-Pierre; Van Oostenryck, Luc; Tinant, Bernard","1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide","Acta Crystallographica Section C","1997","53","10","1484","1486","10.1107/S0108270197006604","","","0.71069","MoKα","","0.0687","0.0502","","0.14","","0.1322","","","1.022","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006592","14.954","0.002","12.157","0.001","9.701","0.001","90","","100.76","0.01","90","","1732.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(piperidinium) Tetrachloromercurate","","- C10 H24 Cl4 Hg N2 -","- C10 H24 Cl4 Hg N2 -","- C40 H96 Cl16 Hg4 N8 -","4","1","JZ1222","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(piperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","10","1407","1409","10.1107/S0108270197008512","","","0.70926","MoKα~1~","","0.048","0.039","","0.042","","0.04","","","1.31","","","1.38","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006593","5.932","0.001","15.12","0.005","23.564","0.006","90","","90","","90","","2113.5","1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(-)-N,N'-bis(quinoline-2-methylene)-1,2-cyclohexyldiimine","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","KA1231","Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger","An Enantiomerically Pure Schiff Base Ligand","Acta Crystallographica Section C","1997","53","10","1458","1459","10.1107/S0108270197006148","","","0.71073","MoKα","","0.045","0.0318","","0.0715","0.0677","","","","1.373","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006594","10.834","0.001","9.75","0.001","12.381","0.001","90","","99","0.01","90","","1291.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(salicylato)bis(nicotinamide)copper(II)","","- C26 H22 Cu N4 O8 -","- C26 H22 Cu N4 O8 -","- C52 H44 Cu2 N8 O16 -","2","0.5","KA1233","Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož","Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form","Acta Crystallographica Section C","1997","53","10","1420","1422","10.1107/S010827019700615X","","","0.71073","MoKα","","0.046","0.0365","","0.0811","0.0757","","","","1.088","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006595","7.8931","0.0002","11.9354","0.0003","18.0705","0.0004","90","","90","","90","","1702.37","0.07","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Nitro-phenyl]-[1,3]dioxolane","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","1","KA1235","Bolte, Michael; Marx, Raimund; Scholtyssik, Maria","2-(3-Nitrophenyl)-1,3-dioxolane at 150K","Acta Crystallographica Section C","1997","53","10","1464","1466","10.1107/S0108270197007166","","","0.71073","MoKα","","0.0316","0.0286","","0.08","0.0785","","","","1.056","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006596","11.991","0.002","13.951","0.004","14.923","0.004","96.02","0.02","94.49","0.02","98.42","0.02","2444.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H49 Cl N6 O7 P2 Ru -","- C57 H43 Cl N6 O7 P2 Ru -","- C114 H86 Cl2 N12 O14 P4 Ru2 -","2","1","KH1147","Lim, Jong Wan; Yeo, Hwan Jin; Jeong, Jong Hwa","<i>trans</i>-[Bis-2,6-(2-benzimidazolyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]nitrobis(triphenylphosphine-<i>P</i>)ruthenium(II) Perchlorate Ethanol Solvate","Acta Crystallographica Section C","1997","53","10","1405","1407","10.1107/S0108270197006082","","","0.71073","MoKα","","0.0705","0.0661","","0.1639","0.159","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006597","10.078","0.001","13.7748","0.0009","24.167","0.003","92.048","0.008","90.67","0.01","100.186","0.009","3299.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Acetatobis(triphenylphosphine)silver(I)","","- C38 H33 Ag O2 P2 -","- C38 H33 Ag O2 P2 -","- C152 H132 Ag4 O8 P8 -","4","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0478","0.0378","","0.1009","0.0937","","","","1.071","1.099","1.099","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006598","44.318","0.006","13.2622","0.0008","25.06","0.003","90","","105.492","0.005","90","","14194","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acetatobis(triphenylphosphine)silver(I) sesquihydrate","","- C38 H36 Ag O3.5 P2 -","- C38 H36 Ag O3.5 P2 -","- C608 H576 Ag16 O56 P32 -","16","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0822","0.0482","","0.1348","0.1162","","","","1.059","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006599","15.85","0.001","12.4271","0.0006","19.935","0.002","90","","103.96","0.004","90","","3810.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetatotriphenylphosphinesilver(I)] hydrate","","- C40 H38 Ag2 O5 P2 -","- C40 H38 Ag2 O5 P2 -","- C160 H152 Ag8 O20 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0551","0.0449","","0.1178","0.1107","","","","1.138","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006600","12.1443","0.0006","19.2794","0.0008","15.8815","0.0009","90","","90","","90","","3718.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis[acetatotriphenylphosphinesilver(I)] hemihydrate","","- C40 H37 Ag2 O4.5 P2 -","- C40 H37 Ag2 O4.5 P2 -","- C160 H148 Ag8 O18 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0418","0.033","","0.08","0.0755","","","","1.048","1.065","1.065","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006601","5.2894","0.0005","8.6106","0.0008","9.1884","0.0009","101.801","0.007","97.055","0.009","96.293","0.008","402.61","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis-4,4'pyridiniumdiazomethane diperchlorate","","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","1","0.5","KH1150","Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng","4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^}","Acta Crystallographica Section C","1997","53","10","1499","1501","10.1107/S0108270197005970","","","0.71073","MoKα","","0.0584","0.0411","","0.1099","0.1024","","","","1.019","1.107","1.107","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006602","6.193","0.001","9.077","0.001","15.882","0.0002","90.69","0.01","96.39","0.01","101.75","0.01","868.1","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(3-chlorophenyl)phosphine oxide.","","- C18 H12 Cl3 O P -","- C18 H12 Cl3 O P -","- C36 H24 Cl6 O2 P2 -","2","1","MU1324","Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak","Tris(3-chlorophenyl)phosphine Oxide","Acta Crystallographica Section C","1997","53","10","1451","1452","10.1107/S0108270197006045","","","0.71073","MoKα","","0.0958","0.0612","","0.1746","0.159","","","","0.908","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006603","7.957","0.001","10.677","0.001","14.909","0.002","90","","100.51","0.01","90","","1245.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","MU1325","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong","<i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","10","1452","1454","10.1107/S0108270197008135","","","0.71073","MoKα","","0.0719","0.0407","","0.1135","0.1034","","","","0.903","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006604","13.531","0.001","11.766","0.001","10.272","0.003","90","","106.71","0.01","90","","1566.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","MU1326","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo","<i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1997","53","10","1454","1455","10.1107/S0108270197008147","","","0.71073","MoKα","","0.1472","0.0456","","0.1258","0.0973","","","","0.788","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006605","9.035","0.001","12.501","0.001","6.9634","0.0005","96.62","0.01","102.08","0.01","73.56","0.01","736.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C13 H14 Cl O6 P -","- C13 H14 Cl O8 P -","- C26 H28 Cl2 O16 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0444","0.0328","","0.0931","0.0901","","","","1.038","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006606","7.8864","0.0005","11.3138","0.001","7.2675","0.0006","108.444","0.007","92.736","0.007","82.8","0.007","610.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C11 H12 Cl O4 P -","- C11 H12 Cl O4 P -","- C22 H24 Cl2 O8 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0469","0.0325","","0.091","0.0881","","","","0.966","1.082","1.082","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006607","16.657","0.001","7.351","0.002","18.4","0.002","90","","108.3","0.01","90","","2139.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C100 H124 N4 O8 -","4","1","NA1284","K. Gunasekaran; D. Velmurugan; P. Murugan","3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1997","53","10","1512","1514","10.1107/S0108270197006987","","","0.71073","MoKα","","0.0583","0.0515","","0.1604","0.1386","","","","1.066","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006608","10.497","0.002","13.332","0.003","19.369","0.004","90","","90","","90","","2710.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-(+)-Dicarbonyl[h5-(2,6,6-trimethyl-cyclohepta-2,4-diene-1-on)] triphenylphosphan-iron","","- C30 H29 Fe O3 P -","- C30 H29 Fe O3 P -","- C120 H116 Fe4 O12 P4 -","4","1","NA1298","Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron","Acta Crystallographica Section C","1997","53","10","1383","1384","10.1107/S010827019700718X","","","0.71069","MoKα","","0.087","0.034","","0.05","0.044","","","","0.825","0.952","0.952","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006609","7.642","0.004","19.928","0.008","8.388","0.004","90","","113.23","0.02","90","","1173.8","1","291","1","291","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dimethyl 2-iodobenzoylphosphonate","2-iodobenzoylphosphonic acid dimethyl ester","","- C9 H10 I O4 P -","- C9 H10 I O4 P -","- C36 H40 I4 O16 P4 -","4","1","NA1305","Griffiths, D. Vaughan; Harris, Jayne E.; Miller, John R.","Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline α-Ketophosphonate","Acta Crystallographica Section C","1997","53","10","1462","1464","10.1107/S0108270197006252","","","0.71073","MoKα","","0.0424","0.0335","","0.0966","0.0906","","","","1.147","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006610","9.097","0.002","13.94","0.002","8.933","0.003","98.89","0.02","114.81","0.02","83.16","0.02","1014","0.5","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 K N2 O15 Yb -","- C10 H26 K N2 O15 Yb -","- C20 H52 K2 N4 O30 Yb2 -","2","1","OA1022","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","10","1376","1378","10.1107/S0108270197006094","","","0.7107","MoKα","","","0.0262","","","0.038","","","","","1.007","1.007","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006611","14.531","0.004","15.867","0.005","13.481","0.004","90","","90","","90","","3108.2","1.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 I N2 O -","- C14 H21 I N2 O -","- C112 H168 I8 N16 O8 -","8","1","OA1026","Mikata, Yuji","Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration","Acta Crystallographica Section C","1997","53","10","1486","1488","10.1107/S0108270197006926","","","0.7107","MoKα","","0.129","0.051","","0.096","0.071","","","","0.988","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006612","9.974","0.0002","6.752","0.0001","12.4097","0.0002","90","","110.34","0.001","90","","783.61","0.02","133","","133","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-1,3-cyclohexanedione","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","QA0018","Bolte, Michael; Scholtyssik, Maria","Dimedone at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700013","","10.1107/S0108270197099423","","","0.71073","MoKα","","0.0402","0.0335","","0.091","0.0872","","","","1.066","1.107","1.107","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006613","9.489","0.001","12.728","0.002","21.415","0.002","90","","90","","90","","2586.4","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Ethyl-3-(4-methyl-benzolsulfonyl)-2-(4-hydroxy-5- ((1'-hydroxy)-propyl)-2-phenyl-cyclohex-2-ene)-1,3-oxazolidine","","- C27 H35 N O5 S -","- C27 H35 N O5 S -","- C108 H140 N4 O20 S4 -","4","1","QA0020","Bolte, Michael; Monz, Sabine","4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine","Acta Crystallographica Section C","1997","53","10","IUC9700014","","10.1107/S0108270197099411","","","1.5418","CuKα","","0.046","0.045","","0.1188","0.1169","","","","1.07","1.068","1.068","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006614","5.7263","0.001","6.5517","0.0012","8.8001","0.0007","92.647","0.011","95.889","0.01","105.474","0.014","315.57","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ethylene diammonium monohydrogenmaleate","","","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","1","0.5","QB0015","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate)","Acta Crystallographica Section C","1997","53","10","IUC9700018","","10.1107/S0108270197099381","","","0.71069","MoKα","","0.0355","0.0323","","","","0.1025","","","","","","1.124","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006615","25.4066","0.0003","20.9992","0.0001","15.2026","0.0002","90","","109.024","0.001","90","","7667.87","0.15","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis-(2,4,6-Triphenyl-pyrimidin-5-yl)-urea","","- C48 H38 N6 O2 -","- C48 H38 N6 O2 -","- C384 H304 N48 O16 -","8","1","QB0016","Bolte, Michael","1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea‒Acetone (1/1) at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700015","","10.1107/S010827019709940X","","","0.71073","MoKα","","0.0504","0.0397","","0.1036","0.0954","","","","1.046","1.057","1.057","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006616","31.441","0.005","8.3824","0.0011","15.409","0.002","90","","102.09","0.012","90","","3971","1","288","2","288","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N,N-dimethyl-2-pyridin-1H-iumamine) Tetrachlorocobaltate(II)","","- C14 H22 Cl4 Co N4 -","- C14 H22 Cl4 Co N4 -","- C112 H176 Cl32 Co8 N32 -","8","1","QB0019","Land, John M.; Baughman, Russell G.; Hester, Colin A.","Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","10","IUC9700016","","10.1107/S0108270197099435","","","0.71073","MoKα","","0.066","0.04","","0.096","0.083","","","","1.045","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006617","22.874","0.006","5.101","0.001","18.261","0.004","90","","122.87","0.01","90","","1789.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,S)-2-methyl-4-phenyl-N-[(methoxycarbonyl)phenylmethyl]butanamide","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","QB0020","Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi","Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate","Acta Crystallographica Section C","1997","53","10","IUC9700017","","10.1107/S0108270197099393","","","0.71073","MoKα","","0.0981","0.0466","","0.133","0.1107","","","","1.043","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006618","8.493","0.001","11.253","0.002","11.368","0.002","90","","108.46","0.02","90","","1030.6","0.3","153","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C44 H66 N2 O6 -","2","1","SK1038","Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild","(1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one","Acta Crystallographica Section C","1997","53","10","1466","1468","10.1107/S0108270197005064","","","0.71073","MoKα","","0.0367","0.0305","","0.0704","0.0686","","","","","0.943","0.943","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006619","8.962","0.003","9.651","0.004","10.009","0.004","68.45","0.03","71.46","0.03","81.52","0.03","762.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 9-Methyl-11-thioxo-8-oxa-12-acetyl-10,12-diazatricyclo[7.3.1.0^2,7^] trideca-2,4,6-triene-13-carboxylate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C30 H32 N4 O8 S2 -","2","1","SK1098","Kettmann, Viktor; Svetlík, Ján","Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1997","53","10","1493","1495","10.1107/S010827019700557X","","","0.71073","MoKα","","0.0713","0.0505","","0.1453","0.1133","","","","1.041","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006620","13.891","0.002","15.426","0.003","11.014","0.002","102.81","0.02","104.94","0.02","102.71","0.02","2125.2","0.8","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 F6 N2 O7 -","- C48 H34 F6 N2 O7 -","- C96 H68 F12 N4 O14 -","2","1","SX1009","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","A <i>trans</i>-1,2-Diarylhexafluorocyclobutane","Acta Crystallographica Section C","1997","53","10","1445","1447","10.1107/S0108270197003764","","","0.71073","MoKα","","0","0.054","","","0.078","","","","","1.469","1.469","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006621","22.212","0.005","11.646","0.004","19.681","0.004","90","","90","","90","","5091","2","291","","291","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28.5 H35.5 Cl1.5 N O -","- C28.518 H35 Cl1.554 N O -","- C228.144 H280 Cl12.432 N8 O8 -","8","1","SX1011","Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.","Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>","Acta Crystallographica Section C","1997","53","10","1447","1449","10.1107/S0108270197003776","","","0.71073","MoKα","","0.0496","0.0403","","0.1116","0.1023","","","","1.166","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006622","11.871","0.001","21.586","0.002","8.484","0.001","90","0.01","102.58","0.01","90","0.01","2121.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N4 O7 Si -","- C18 H28 N4 O7 Si -","- C72 H112 N16 O28 Si4 -","4","1","SX1022","White, Jonathan M.; Tham, Wai-Ying","9a-Trimethylsilyloctahydroquinolizinium Picrate","Acta Crystallographica Section C","1997","53","10","1471","1472","10.1107/S0108270197006100","","","0.71069","MoKα","","0.0587","0.05","","0.1392","0.1331","","","","1.034","1.089","1.089","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006623","6.5362","0.0006","12.4737","0.0012","32.056","0.003","90","","90","","90","","2613.5","0.4","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","quininium (S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","SX1027","Gjerløv, Anne B.; Larsen, Sine","Quininium (<i>S</i>)-Mandelate","Acta Crystallographica Section C","1997","53","10","1505","1508","10.1107/S0108270197006112","","","1.54184","CuKα","","0.0291","0.027","","0.0708","0.07","","","","1.059","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006624","9.006","0.002","6.6905","0.0013","10.963","0.002","90","","97.415","0.014","90","","655","0.2","158","","158","","","","","","","","","3","P 1 21 1","P 2yb","4","Aloperine","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine","","- C15 H24 N2 -","- C15 H24 N2 -","- C30 H48 N4 -","2","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.055","0.0383","","0.1015","0.0931","","","","1.076","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006625","9.6442","0.0012","11.2487","0.0012","15.097","0.002","90","","90","","90","","1637.8","0.3","158","","158","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Aloperine dihydrochloride monohydrate","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine dihydrochloride monohydrate","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C60 H112 Cl8 N8 O4 -","4","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.0371","0.0295","","0.0727","0.0693","","","","1.04","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006626","6.536","0.004","15.626","0.003","10.029","0.002","90","","90","","90","","1024.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","calcium yttrium silicate","tricalcium diyitrium trisilicon oxide","","- Ca3 O12 Si3 Y2 -","- Ca2.998 O12 Si3 Y1.998 -","- Ca11.992 O48 Si12 Y7.992 -","4","0.5","TA1145","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(SiO~4~)~3~","Acta Crystallographica Section C","1997","53","10","1367","1369","10.1107/S0108270197005593","","","0.71069","MoKα","","0.0367","0.0347","","0.0998","0.098","","","","1.038","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006627","7.377","0.001","18.664","0.003","9.897","0.002","90","","95.314","0.008","90","","1356.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-dibromo-11-methyl-11-aza- 14,15-dioxa-11-pentacyclo [6.5.1.1^3,6^.0^2,7^.0^9,13^] pentadec-4-en-10,12-dione","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","TA1163","Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L.","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione","Acta Crystallographica Section C","1997","53","10","1501","1502","10.1107/S0108270197006616","","","0.71073","MoKα","","0.116","0.047","","0.139","0.11","","","","1.025","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006628","9.411","0.001","10.427","0.002","7.93","0.002","104.99","0.01","103.74","0.01","92.72","0.01","725.2","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","(3aα,10aα)11,11 Dibromo-6-methoxy-2,3,9,10-tetrahydro-1H,4H-3a,10a- methano[f]azulene'","","- C16 H16 Br2 O2 -","- C16 H16 Br2 O2 -","- C32 H32 Br4 O4 -","2","1","TA1166","Mackay, Maureen F.; Banwell, Martin G.; Phyland, James R.","A Benzannulated [5.3.1] Propellanone Related to the <i>ABC</i> Ring System of Taxol^TM^","Acta Crystallographica Section C","1997","53","10","1497","1499","10.1107/S0108270197007531","","","1.5418","CuKα","","0.0458","0.044","","0.137","0.1327","","","","1.081","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006629","6.474","0.001","11.393","0.001","11.862","0.003","66.16","0.02","89.2","0.04","84.92","0.02","796.9","0.3","295","1","295","1","","","","","","","","3","P -1","-P 1","2","cyclohexene-keto acid","4-(1-Hydroxy-1-phenylmethylene)-3-oxo-5-phenyl-5-cyclohexene carboxylic acid","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","AB1478","Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna; Lazarević, Zvjezdana","4-[Hydroxy(phenyl)methylene]-5-oxo-3-phenyl-2-cyclohexenecarboxylic Acid","Acta Crystallographica Section C","1997","53","11","1709","1711","10.1107/S0108270197005465","","","0.71073","MoKα","","0.1827","0.0479","","0.1434","0.0997","","","","0.925","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006630","7.567","0.011","9.297","0.013","12.281","0.014","72","0.08","80.21","0.08","81.04","0.08","804.8","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ni(cdsalen)","methyl 2-{N-[2-(2-hydroyphenyl)methylidynenitrilo]ethyl}amino- 1-cyclopentenedithiocarboxilate of nickel(II)","","- C16 H18 N2 Ni O S2 -","- C16 H18 N2 Ni O S2 -","- C32 H36 N4 Ni2 O2 S4 -","2","1","AB1482","de Castro, Baltazar; Pereira, Eulalia; Gomes, Ligia","A Nickel Complex with an Asymmetric N~2~OS Schiff Base Ligand","Acta Crystallographica Section C","1997","53","11","1572","1574","10.1107/S0108270197009219","","","0.71069","MoKα","","0.132","0.0576","","0.2162","0.1415","","","","1.091","1.111","1.111","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006631","8.7507","0.0016","12.5722","0.0013","12.927","0.002","71.248","0.011","70.267","0.014","86.458","0.012","1265.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O3 Pd -","- C30 H22 N2 O3 Pd -","- C60 H44 N4 O6 Pd2 -","2","1","AV1007","Kooijman, Huub; Spek, Anthony L.; van Belzen, Ruud; Elsevier, Cornelis J.","{1,2-Bis[<i>N</i>-(4-methylphenyl)imino-<i>N</i>]acenaph-thene}(η^2^-maleic anhydride)palladium(0)","Acta Crystallographica Section C","1997","53","11","1593","1596","10.1107/S0108270197007865","","","0.71073","MoKα","","0.064","0.064","","0.144","0.144","","","","0.957","0.957","0.957","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006632","5.995","0.001","8.726","0.001","14.535","0.002","90","","90","","90","","760.36","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hygric acid","L-1-Methylproline","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1308","Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino","<small>L</small>-1-Methylproline Monohydrate","Acta Crystallographica Section C","1997","53","11","1690","1692","10.1107/S0108270197008706","","","0.71073","MoKα","","0.067","0.048","","0.119","0.108","","","","1.05","1.1","1.1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006633","6.291","0.002","8.259","0.002","18.054","0.003","96.53","0.01","91.39","0.02","112.06","0.02","861.4","0.4","140","","140","","","","","","","","","2","P -1","-P 1","2","","E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene","","- C22 H28 -","- C22 H28 -","- C44 H56 -","2","1","BK1316","Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~","Acta Crystallographica Section C","1997","53","11","1723","1725","10.1107/S0108270197007117","","","0.71073","MoKα","","0.068","0.049","","","0.066","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006634","8.2725","0.0007","13.273","0.001","9.5548","0.0007","90","","97.51","0.006","90","","1040.13","0.14","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Nitroanilino)cyclopent-2-en-1-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","BK1319","Huang, Kin-Shan; Stowell, Joseph G.; Byrn, Stephen R.","3-(4-Nitroanilino)-2-cyclopenten-1-one","Acta Crystallographica Section C","1997","53","11","1717","1719","10.1107/S0108270197007622","","","1.54184","CuKα","","","0.045","","","0.117","","","","","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006635","8.309","0.005","11.42","0.004","10.766","0.004","90","","95.5","0.4","90","","1016.9","1.1","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^5^-cyclopentadienyl)(η^1^-pyrrolyl)iron(II)","","- C11 H9 Fe N O2 -","- C11 H9 Fe N O2 -","- C44 H36 Fe4 N4 O8 -","4","1","BK1322","Powell, Madison; Bailey, Rosa D.; Eagle, Cassandra T.; Schimek, George L.; Hanks, T. W.; Pennington, William T.","Dicarbonyl(η^5^-cyclopentadienyl)(pyrrolyl-<i>N</i>)iron(II)","Acta Crystallographica Section C","1997","53","11","1611","1613","10.1107/S0108270197008718","","","0.71073","MoKα","","0.0592","0.032","","0.0418","0.0383","","","","","1.12","1.12","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2006636","10.031","0.002","10.547","0.002","14.861","0.003","90","","109.09","0.03","90","","1485.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.057","0.05","","0.138","0.1333","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006637","9.946","0.007","10.542","0.005","14.82","0.007","90","","108.68","0.04","90","","1472","1.5","213","2","213","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraammine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraammine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.052","0.041","","0.116","0.1093","","","","1.03","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006638","5.72","0.001","7.081","0.001","14.121","0.003","90","","101.06","0.03","90","","561.32","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate, hydrate","","","- Cd H4 O5 S2 -","- Cd H4 O5 S2 -","- Cd4 H16 O20 S8 -","4","1","BK1331","Sergio Baggio; María I. Pardo; Ricardo Baggio; Oscar González","Cadmium Thiosulfate Dihydrate","Acta Crystallographica Section C","1997","53","11","1521","1523","10.1107/S0108270197006446","","","0.71073","MoKα","","0.032","0.03","","0.089","0.088","","","","1.23","1.253","1.253","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006639","8.5236","0.0008","8.9284","0.0007","9.9279","0.0008","90","","98.955","0.007","90","","746.32","0.11","150","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N6 O6 -","- C12 H16 Cu N6 O6 -","- C24 H32 Cu2 N12 O12 -","2","0.5","BM1138","Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk","Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","11","1596","1598","10.1107/S0108270197005118","","","0.71073","MoKα","","0.028","0.028","","0.078","0.078","","","","1.032","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006640","6.9518","0.0005","17.699","0.0013","13.5035","0.0011","90","","100.52","0.006","90","","1633.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(tsalphen)]","[N,N'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","","- C20 H14 N2 Ni S2 -","- C20 H14 N2 Ni S2 -","- C80 H56 N8 Ni4 S8 -","4","1","BM1141","Smeets, Wilberth J.J.; Spek, Anthony L.; Henderson, Richard K.; Bouwman, Elisabeth; Reedijk, Jan","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","Acta Crystallographica Section C","1997","53","11","1564","1566","10.1107/S0108270197009232","","","0.71073","MoKα","","0.038","0.029","","","","0.071","","","","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006641","11.056","0.004","8.34","0.002","15.5461","0.0012","90","","104.829","0.013","90","","1385.7","0.6","296","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N6 O2 -","- C13 H14 N6 O2 -","- C52 H56 N24 O8 -","4","1","BM1143","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","<i>N</i>-3-Allylation of 2-(<i>N</i>,<i>N</i>-Dimethylaminomethyleneamino)-6-formylpteridin-4-one","Acta Crystallographica Section C","1997","53","11","1667","1669","10.1107/S0108270197009116","","","0.71069","MoKα","","0.0746","0.05","","0.1472","0.1276","","","","1.045","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006642","12.4924","0.0002","9.8064","0.0002","30.4234","0.0003","90","","98.944","0.005","90","","3681.72","0.11","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 Sn -","- C19 H22 O3 Sn -","- C152 H176 O24 Sn8 -","8","1","BM1153","Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad","(Ketoprofenato)trimethyltin(IV)","Acta Crystallographica Section C","1997","53","11","1574","1576","10.1107/S0108270197007348","","","0.71073","MoKα","","","0.029","","","0.046","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006643","15.309","0.0007","10.553","0.0011","6.973","0.0014","90","","90","","90","","1126.5","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BM1160","Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony","3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one","Acta Crystallographica Section C","1997","53","11","1675","1676","10.1107/S0108270197007877","","","0.71073","MoKα","","0.031","0.0269","","0.0715","0.0686","","","","1.121","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006644","8.9047","0.0007","9.6102","0.0013","12.9962","0.0015","110.332","0.012","104.167","0.008","97.458","0.008","982.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","9,10-dihydrophenanthrene","","","- C23 H19 Cl O4 -","- C23 H19 Cl O4 -","- C46 H38 Cl2 O8 -","2","1","","Sarkhel, Sanjay; Goel, Atul; Ram, Vishnu J.; Chaudhuri, Siddhartha; Maulik, Prakas R.","Unusual Substitution of -SCH~3~ by -OH in 9,10-Dihydrophenanthrene","Acta Crystallographica Section C","1997","","","1713","1714","10.1107/S010827019700869X","","","","","","","0.0646","","","0.2228","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006645","17.674","0.003","17.674","0.003","12.516","0.003","90","","90","","120","","3385.8","1.1","298","","","","","","","","","","","3","P 63","P 6c","173","","","","- Al14.4 Cr3.4 Ni1.1 -","- Al14.6873 Cr3.175 -","- Al176.248 Cr38.1 -","12","2","BR1150","Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.","A New Hexagonal κ Phase of Al‒Cr‒Ni","Acta Crystallographica Section C","1997","53","11","1531","1533","10.1107/S0108270197003430","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006646","10.8883","0.0004","6.3877","0.0001","8.4404","0.0003","90","","112.448","0.002","90","","542.56","0.03","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tricaesiumhydrogendiselenide","","- Cs3 H O8 Se2 -","- Cs3 H O8 Se2 -","- Cs6 H2 O16 Se4 -","2","0.25","BR1168","Sonntag, Rainer; Melzer, Rolf; Wessels, Thomas; Radaelli, Pablo G.","Cs~3~H(SeO~4~)~2~ at 300K by High-Resolution Neutron Powder Diffraction","Acta Crystallographica Section C","1997","53","11","1529","1531","10.1107/S0108270197007749","","neutron","1.5946","neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006647","11.9931","0.0001","11.9931","0.0001","11.9931","0.0001","90","","90","","90","","1725.02","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Hexasodium trizinc phosphate trihydrate","","- H6 Na6 O19 P4 Zn3 -","- H6 Na6 O19 P4 Zn3 -","- H24 Na24 O76 P16 Zn12 -","4","0.333333","BR1187","Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky","A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O","Acta Crystallographica Section C","1997","53","11","1517","1519","10.1107/S0108270197007889","","","0.71073","MoKα","","0.0209","0.0201","","0.0466","0.0463","","","","1.016","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006648","3.9241","0.0003","13.0404","0.0008","12.4181","0.0005","90","","92.21","0.01","90","","634.98","0.07","295","","295","","","","","","","","","5","P 1 n 1","","","","","","- C13 H12 Cl N O3 -","- C13 H12 Cl N O3 -","- C26 H24 Cl2 N2 O6 -","2","1","BS1020","Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid","Acta Crystallographica Section C","1997","53","11","1635","1637","10.1107/S0108270197007130","","","0.71073","MoKα","","0.0346","0.0293","","0.1175","0.1057","","","","1.067","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006649","9.156","0.003","9.509","0.002","8.701","0.002","99.41","0.02","116.03","0.02","73.95","0.02","653.4","0.3","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H46 Ru -","- C32 H32 Ru -","- C32 H32 Ru -","1","0.5","BS1021","Overby, Jason S.; Farrar, John M.; Hanusa, Timothy P.","Bis(η^5^-1,2,4-triisopropylcyclopentadienyl)ruthenium","Acta Crystallographica Section C","1997","53","11","1605","1606","10.1107/S0108270197007014","","","1.5418","CuKα","","","0.035","","","0.0462","","","","","2.046","2.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006650","10.016","0.004","9.185","0.004","9.105","0.004","102.68","0.04","116.9","0.05","84.62","0.03","728.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,8a-dihydroazulene","1,1-dicyano-2-p-cyanophenyl-1,8a-dihydroazulene","","- C19 H11 N3 -","- C19 H11 N3 -","- C38 H22 N6 -","2","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","0.71069","MoKα","","0.0738","0.0506","","0.1356","0.1201","","","","1.085","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006651","17.965","0.002","13.649","0.002","16.987","0.002","90","","129.514","0.005","90","","3213.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,8a-dihydroazulene","1-cyano,1-methoxycarbonyl-2-p-cyanophenyl-1,8a-dihydroazulene","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","1.54178","CuKα","","0.0607","0.0378","","0.1192","0.1112","","","","1.099","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006652","17.366","0.003","8.196","0.002","20.999","0.004","90","","90","","90","","2988.8","1.1","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","BS1041","De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~","Acta Crystallographica Section C","1997","53","11","1647","1648","10.1107/S0108270197009517","","","0.71073","MoKα","","0.0631","0.0334","","0.0751","0.0694","","","","0.875","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006653","8.704","0.001","9.116","0.001","12.968","0.002","84.69","0.01","76.63","0.01","80.35","","985.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-4-(2-(2-hydroxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate Dimer: C14 H14 O2 N2^2+^.(C7 H7 S O3^-^)2. 2(H2 O)","","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","1","0.5","CF1158","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-bei","The Hydrated Tosylate of Dimeric 2'-Hydroxy-4-<i>N</i>-methylstilbazolium","Acta Crystallographica Section C","1997","53","11","1649","1650","10.1107/S0108270197008469","","","0.71073","MoKα","","0.0557","0.0378","","0.1124","0.0975","","","","0.981","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006654","8.612","0.002","11.658","0.003","11.914","0.002","79.72","0.02","85.97","0.02","76.73","0.02","1145","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","","- C9 H13 N6 O2.5 -","- C9 H13 N6 O2.5 -","- C36 H52 N24 O10 -","4","2","CF1160","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","Acta Crystallographica Section C","1997","53","11","1624","1626","10.1107/S0108270197006598","","","1.54178","CuKα","","0.0452","0.0428","","0.1428","0.1192","","","","1.096","1.114","1.114","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006655","7.7208","0.0009","7.7501","0.0009","9.0531","0.001","90","","94.818","0.01","90","","539.8","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-Camphorsulfonimine","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","CF1189","Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","(+)-Camphorsulfonylimine","Acta Crystallographica Section C","1997","53","11","1725","1726","10.1107/S010827019701144X","","","0.71073","MoKα","","0.0569","0.0397","","0.0949","0.0895","","","","0.905","0.997","0.997","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006656","6.892","0.003","19.706","0.005","11.842","0.002","90","","94.24","0.02","90","","1603.9","0.9","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile)tetrakis(N,N-dimethylacetamide)nickel(II) tetrafluoroborate","","- C20 H42 B2 F8 N6 Ni O4 -","- C20 H42 B2 F8 N6 Ni O4 -","- C40 H84 B4 F16 N12 Ni2 O8 -","2","0.5","DE1060","Suzuki, Honoh; Ishiguro, Shin-ichi","Steric Hindrance in a Mixed Solvated Nickel(II) Complex: Bis(acetonitrile-<i>N</i>)tetrakis(<i>N</i>,<i>N</i>-dimethylacetamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","11","1602","1605","10.1107/S0108270197009463","","","0.71073","MoKα","","0.0984","0.0614","","0.1825","0.1453","","","","1.152","1.116","1.116","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006657","9.072","0.002","26.855","0.008","8.135","0.002","97.419","0.006","110.8","0.02","83.564","0.013","1832.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","n-butyl alpha-cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","2","DE1061","Ohhara, Takashi; Hidehiro Uekusa; Yuji Ohashi; Shigehito Kondo; Masaki Hasegawa","<i>n</i>-Butyl α-Cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","Acta Crystallographica Section C","1997","53","11","1692","1694","10.1107/S0108270197009475","","","0.7107","MoKα","","0.1211","0.0506","","0.156","0.1133","","","","1","1.111","1.111","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006658","5.339","0.001","9.923","0.001","4.488","0.001","90","","97.45","0.02","90","","235.76","0.07","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Diphosphate synthétique de Cobalt: Co~2~P~2~O~7~","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co4 O14 P4 -","2","0.5","DU1177","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","11","1523","1525","10.1107/S0108270197006689","","","0.71069","MoKα","","","0.04","","","","0.052","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006659","9.4881","0.001","10.3231","0.0011","16.3226","0.0011","90","","90.423","0.006","90","","1598.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H50 Ga2 N8 O20 P4 -","- C12 H42 Ga2 N8 O20 P4 -","- C24 H84 Ga4 N16 O40 P8 -","2","0.5","DU1179","Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard","A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O","Acta Crystallographica Section C","1997","53","11","1568","1570","10.1107/S0108270197006458","","","0.71069","MoKα","","0.078","0.042","","0.133","0.12","","","","0.955","1.056","1.056","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006660","11.667","0.002","7.182","0.004","14.337","0.003","90","","97.61","0.02","90","","1190.8","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5β-hydroxy-spirost-2-en-6-one","","- C27 H40 O4 -","- C27 H40 O4 -","- C54 H80 O8 -","2","1","FG1242","Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría","(25<i>R</i>)-5β-Hydroxyspirost-2-en-6-one","Acta Crystallographica Section C","1997","53","11","1705","1706","10.1107/S0108270197006501","","","0.71069","MoKα","","0.2286","0.0703","","0.3332","0.1754","","","","0.986","0.901","0.901","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006661","6.393","0.002","7.433","0.001","21.067","0.003","90","","90.97","0.02","90","","1000.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Dichlorocyclamcobalt(III) chloride, tetrahydrate, 0.47(HCl)","trans-Dichloro-(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride, tetrahydrate, 0.47 HCl","","- C10 H32.47 Cl3.47 Co N4 O4 -","- C10 H32.44 Cl3.468 Co N4 O4 -","- C20 H64.88 Cl6.936 Co2 N8 O8 -","2","0.5","FG1254","Sosa-Torres, Martha E.; Toscano, Rubén A.","<i>trans</i>-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride","Acta Crystallographica Section C","1997","53","11","1585","1588","10.1107/S0108270197007440","","","0.71069","MoKα","","0.0586","0.0413","","0.1101","0.0948","","","","1.072","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006662","9.724","0.001","11.055","0.001","16.361","0.002","79.79","0.01","79.19","0.01","73.7","0.01","1643.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cl2 N10 Ni -","- C32 H30 Cl2 N10 Ni -","- C64 H60 Cl4 N20 Ni2 -","2","1","FG1270","Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride","Acta Crystallographica Section C","1997","53","11","1607","1609","10.1107/S0108270197006513","","","0.71073","MoKα","","0.1083","0.0547","","0.1305","0.1042","","","","1.072","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006663","23.756","0.002","6.9151","0.0005","28.381","0.002","90","","95.457","0.006","90","","4641.2","0.6","293","","293","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.096","0.06","","0.1764","0.1571","","","","1.071","1.255","1.255","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006664","7.278","0.004","12.199","0.002","24.494","0.007","90","","91.89","0.03","90","","2173.5","1.4","293","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","rac-3,3-bis(carbomethoxy)-18-methoxy-18-oxo-5β,9β,10α-androst-6-en-17-one","","- C24 H32 O7 -","- C24 H32 O7 -","- C96 H128 O28 -","4","2","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.0626","0.0599","","0.179","0.1749","","","","1.062","1.068","1.068","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006665","10.158","0.0002","10.158","0.0002","39.7543","0.0005","90","","90","","90","","4102.05","0.13","180","","180","","","","","","","","","6","P 41","P 4w","76","","","","- C48 H44 B F4 P2 Rh -","- C48 H44 B F4 P2 Rh -","- C192 H176 B4 F16 P8 Rh4 -","4","1","FG1294","Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James","[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","11","1577","1579","10.1107/S0108270197005271","","","0.7107","MoKα","","0.08","0.043","","0.086","","0.086","","","2.51","","","2.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006666","13.6819","0.0009","7.2379","0.0003","14.0407","0.0007","90","","111","0.01","90","","1298.07","0.15","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","FG1302","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 3-Picoline <i>N</i>-Oxide and <i>p</i>-Toluic Acid","Acta Crystallographica Section C","1997","53","11","1634","1635","10.1107/S0108270197007890","","","0.71073","MoKα","","0.0761","0.046","","0.1688","0.1324","","","","1.121","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006667","5.1318","0.0002","6.9156","0.0003","14.9166","0.0006","83.3087","0.0014","88.388","0.002","71.835","0.002","499.55","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","Pseudouridine","2,4(1H,3H)-Pyrimidinedione,5-β-D-ribofuranosyl","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","2","FG1303","Hempel, Andrew; Lane, Byron G.; Camerman, Norman","Pseudouridine","Acta Crystallographica Section C","1997","53","11","1707","1709","10.1107/S0108270197009323","","","0.71013","MoKα","","0.2477","0.0918","","0.2851","0.1898","","","","0.927","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006668","16.921","0.002","4.5252","0.0004","17.898","0.002","90","","112.655","0.011","90","","1264.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","perilo(1,12-b,c,d)thiophene","","- C20 H10 S -","- C20 H10 S -","- C80 H40 S4 -","4","1","FG1306","Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís","Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene","Acta Crystallographica Section C","1997","53","11","1640","1642","10.1107/S0108270197007907","","","0.71069","MoKα","","0.0873","0.04","","0.124","0.0901","","","","1.129","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006669","5.1928","0.0005","20.405","0.002","29.517","0.003","90","","90","","90","","3127.6","0.5","183","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dibenzoyl-1,4-benzoquinone","","- C20 H12 O4 -","- C20 H12 O4 -","- C160 H96 O32 -","8","1","FG1318","Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju","2,6-Dibenzoyl-1,4-benzoquinone","Acta Crystallographica Section C","1997","53","11","1653","1655","10.1107/S0108270197007579","","","0.71073","MoKα","","0.1025","0.0517","","0.1448","","0.1448","","","1.04","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006670","8.0485","0.0009","14.301","0.002","13.2703","0.0014","90","","91.769","0.007","90","","1526.7","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aR*,4S*,5S*,7aR*)-4-nitrobenzoic acid 5-methyl-1,3,3,4,5,7a-hexahydroisobenzofuran-4-yl ester","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","FG1329","Batey, Robert A.; Lin, Denny; Lough, Alan J.","(3a<i>R</i>*,4<i>S</i>*,5<i>S</i>*,7a<i>R</i>*)-4-Nitrobenzoic Acid 5-Methyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-yl Ester","Acta Crystallographica Section C","1997","53","11","1721","1723","10.1107/S0108270197007026","","","0.71073","MoKα","","0.0607","0.0433","","0.1288","0.1212","","","","1.045","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006671","16.889","0.001","9.2407","0.0005","6.2644","0.0006","90","","90","","90","","977.66","0.12","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","cyclohexanespiro-5'-hydantoin monohydrate","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.038","","","0.039","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006672","11.991","0.001","8.3535","0.0007","15.159","0.001","90","","94.731","0.008","90","","1513.3","0.2","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Indolyl)cyclohexanespiro-5'-hydantoin","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.054","","","0.088","","","","","1.533","1.533","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006673","9.8918","0.001","11.6789","0.0012","12.6536","0.0012","90","","95.819","0.008","90","","1454.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzylselenolato(η^5^-cyclopentadienyl)(tricarbonyl)molybdenum(II)","","- C15 H12 Mo O3 Se -","- C15 H12 Mo O3 Se -","- C60 H48 Mo4 O12 Se4 -","4","1","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0261","0.019","","0.0415","0.0404","","","","0.976","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006674","8.4036","0.0015","15.376","0.003","6.9712","0.0012","90","","99.092","0.008","90","","889.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(η^5^-cyclopentadienyl)(μ-selenido)(μ-ethylselenolato)]- dimolybdenum(IV)(Mo=Mo)","","- C14 H20 Mo2 Se4 -","- C14 H20 Mo2 Se4 -","- C28 H40 Mo4 Se8 -","2","0.5","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0207","0.0192","","0.047","0.0461","","","","1.093","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006675","12.702","0.003","14.653","0.003","17.715","0.002","88.722","0.012","77.38","0.02","66.64","0.02","2946.1","1.1","293","","","","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25, 27-bis[2-(p-nitrobenzalamino)ethoxy]-26,28-dihydroxycalix[4]arene","","- C62 H72 N4 O8 -","- C62 H72 N4 O8 -","- C124 H144 N8 O16 -","2","1","","Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang","5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene","Acta Crystallographica Section C","1997","53","11","1644","1647","10.1107/S010827019700961X","","","0.71073","MoKα","","","0.0626","","0.1862","0.1527","","","","0.852","1.146","1.146","","","","","has coordinates,has disorder","175018","2020-10-21","18:00:00",""
"2006676","9.1708","0.0014","10.696","0.0003","7.4317","0.0015","92.08","0.02","107.8","0.01","92.57","0.02","692.43","0.18","296","","296","","","","","","","","","3","P -1","-P 1","2","","cis-3,5a-Dimethyl-6-formyloxy-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","FG1343","Robinson, Paul D.; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.","<i>cis</i>-3,5a-Dimethyl-1-oxo-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-6-yl Formate","Acta Crystallographica Section C","1997","53","11","1642","1644","10.1107/S0108270197008603","","","0.71069","MoKα","","0.0701","0.0382","","0.1209","","0.1027","","","1.031","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006677","8.3369","0.001","9.506","0.0012","29.565","0.003","90","","90","","90","","2343","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Benzyldi(methanesulfonyl)amine","","- C9 H13 N O4 S2 -","- C9 H13 N O4 S2 -","- C72 H104 N8 O32 S16 -","8","2","FG1348","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine","Acta Crystallographica Section C","1997","53","11","1669","1671","10.1107/S0108270197009177","","","0.71073","MoKα","","0.0386","0.0315","","0.0769","0.0745","","","","1.046","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006678","9.368","0.002","10.627","0.002","12.219","0.002","76.67","0.03","73.94","0.03","66.93","0.03","1065.2","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","Bis(N, N'-di-2-pyridyl ketone oximato)chlorogold(III) hydrate","","- C22 H18 Au Cl N6 O3 -","- C22 H18 Au Cl N6 O3 -","- C44 H36 Au2 Cl2 N12 O6 -","2","1","FR1030","Sommerer, Shaun O.; MacBeth, Cora E.; Jircitano, Alan J.; Abboud, Khalil A.","Chlorobis(<i>N</i>,<i>N</i>'-di-2-pyridyl ketone oximato)gold(III) Hydrate","Acta Crystallographica Section C","1997","53","11","1551","1553","10.1107/S0108270197008925","","","0.71073","MoKα","","0.0337","0.0271","","0.0605","0.0579","","","","1.066","1.085","1.085","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006679","13.8946","0.0008","16.513","0.0001","6.4276","0.0004","90","","90","","90","","1474.76","0.13","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","N,N'-(dimethylthiourea)gold(I) perchlorate","","- C6 H16 Au Cl N4 O4 S2 -","- C6 H16 Au Cl N4 O4 S2 -","- C24 H64 Au4 Cl4 N16 O16 S8 -","4","0.5","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.0325","0.0324","","0.1097","0.1096","","","","1.252","1.255","1.255","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006680","7.278","0.001","12.127","0.003","21.118","0.006","90","","90","","90","","1863.9","0.7","193","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(diethylthiourea)gold(I) percholorate","","- C10 H24 Au Cl N4 O4 S2 -","- C10 H24 Au Cl N4 O4 S2 -","- C40 H96 Au4 Cl4 N16 O16 S8 -","4","1","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.1383","0.0915","","0.1714","0.1505","","","","1.116","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006681","7.698","0.002","16.647","0.002","15.3084","0.0015","90","","102.271","0.012","90","","1916.9","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cyanobis(tricyclohexyl)phosphino)gold(I)","","- C19 H33 Au N P -","- C19 H33 Au N P -","- C76 H132 Au4 N4 P4 -","4","1","FR1044","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Darensbourg, M.Y.; Akhtar, N.; Isab, A.A.","Cyano[tri(cyclohexyl)phosphino]gold(I), [Au(CN){(C~6~H~11~)~3~P}]","Acta Crystallographica Section C","1997","53","11","1553","1555","10.1107/S0108270197008937","","","0.71073","MoKα","","0.0834","0.0472","","0.1085","0.0944","","","","1.018","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006682","22.94","0.007","13.611","0.005","25.178","0.007","90","","116","0.01","90","","7066","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tris(2,2'-Bipyridyl)-zinc(ii) thiosulfate, heptahydrate","","","- C30 H38 N6 O10 S2 Zn -","- C30 H36.68 N6 O9.34 S2 Zn -","- C240 H293.44 N48 O74.72 S16 Zn8 -","8","1","HA1190","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')zinc(II) Thiosulfate Heptahydrate","Acta Crystallographica Section C","1997","53","11","1570","1572","10.1107/S0108270197008615","","","0.71073","MoKα","","0.092","0.069","","0.204","0.144","","","","1.328","1.284","1.284","","","","","has coordinates,has disorder","203567","2020-10-21","18:00:00",""
"2006683","6.681","0.003","8.362","0.001","16.707","0.002","90","","97.01","0.05","90","","926.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","HA1193","Chitra Samanta; Sailesh C. Saha; Alok Kumar Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-methyltriazene 1-Oxide","Acta Crystallographica Section C","1997","53","11","1657","1658","10.1107/S0108270197006537","","","0.71073","MoKα","","0.0466","0.039","","0.1127","0.109","","","","1.042","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006684","11.192","0.002","9.96","0.001","18.282","0.002","90.33","0.03","97.03","0.02","90.19","0.02","2022.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diantimony - molybdenum - hexaoxide","","- Mo O6 Sb2 -","- Mo O6 Sb2 -","- Mo16 O96 Sb32 -","16","8","JZ1184","Castro, Alicia; Enjalbert, Renée; Galy, Jean","Sb~2~MoO~6~, a Re-examination","Acta Crystallographica Section C","1997","53","11","1526","1529","10.1107/S0108270197006239","","","0.71069","MoKα","","0.0502","0.0298","","0.1067","0.0967","","","","1.01","1.614","1.614","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006685","12.381","0.01","9.185","0.005","9.221","0.005","90","","90","","90","","1048.6","1.2","293","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","JZ1204","Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A.","Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase","Acta Crystallographica Section C","1997","53","11","1536","1538","10.1107/S0108270197007142","","","0.71073","MoKα","","","0.0605","","","","0.0376","","","","","","1.2892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006686","7.712","0.001","11.52","0.001","12.721","0.001","90","","94.86","0.01","90","","1126.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-[1,1']binaphthalenyl-2-yl)propanimidate","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0398","0.0364","","0.1093","0.1054","","","","1.049","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006687","7.786","0.001","17.431","0.001","8.749","0.001","90","","98.24","0.01","90","","1175.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C58 H58 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0325","0.0314","","0.095","0.0904","","","","1.066","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006688","11.0647","0.0005","11.52","0.0004","9.6867","0.0004","90","","103.199","0.004","90","","1202.1","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C12 H11 Cu N3 O3 -","- C12 H11 Cu N3 O3 -","- C48 H44 Cu4 N12 O12 -","4","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0465","0.0419","","0.1189","0.1143","","","","1.053","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006689","11.2152","0.0005","9.3864","0.0005","26.2788","0.0009","90","","90","","90","","2766.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C112 H120 Cu8 N24 O24 -","8","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0498","0.0368","","0.1067","0.0996","","","","1.031","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006690","9.1844","0.0004","16.9279","0.0007","9.3097","0.0004","90","","94.489","0.006","90","","1442.96","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-Salicylidene-α-aminoisobutyrato)-Copper(II) Dimer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C56 H60 Cu4 N12 O12 -","4","1","JZ1216","Warda, Salam A.","(Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-α-aminoisobutyrato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Dimer","Acta Crystallographica Section C","1997","53","11","1588","1590","10.1107/S0108270197008275","","","1.54178","CuKα","","0.035","0.0338","","0.0932","0.0924","","","","1.087","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006691","9.2511","0.001","13.513","0.003","6.1542","0.0003","90","","90","","90","","769.34","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","6-Nitrophthalide","1,3-Dihydro-6-nitrobenzo[c]furan-1-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","JZ1219","Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally","6-Nitrophthalide","Acta Crystallographica Section C","1997","53","11","1626","1628","10.1107/S0108270197008494","","","1.54178","CuKα","","0.0376","0.0361","","0.0993","0.0968","","","","1.072","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006692","34.05","0.005","11.3","0.003","8.347","0.002","90","","90","","90","","3211.6","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1)","","- C13 H13 Cl N2 O4 S -","- C13 H13 Cl N2 O4 S -","- C104 H104 Cl8 N16 O32 S8 -","8","1","JZ1220","Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert","2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid‒Acetonitrile (1/1)","Acta Crystallographica Section C","1997","53","11","1677","1679","10.1107/S0108270197008627","","","0.71073","MoKα","","0.0973","0.049","","0.122","0.0976","","","","1.038","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006693","13.603","0.001","8.383","0.001","12.198","0.001","90","","97.66","0.01","90","","1378.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis-(4-benzylpiperidinium) Tetrachloromercurate","","- C24 H36 Cl4 Hg N2 -","- C24 H36 Cl4 Hg N2 -","- C48 H72 Cl8 Hg2 N4 -","2","1","JZ1221","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(4-benzylpiperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","11","1566","1568","10.1107/S0108270197008500","","","0.7107","MoKα","","0.047","0.04","","0.042","","0.04","","","1.42","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006694","10.1144","0.0009","13.4212","0.0011","30.576","0.003","90","","98.919","0.009","90","","4100.4","0.6","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane‒ hexamethylenetetramine (1/1).","","- C43 H64 N4 O3 -","- C43 H64 N4 O3 -","- C172 H256 N16 O12 -","4","1","JZ1228","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Steric Inhibition of Molecular Weaving: Non-Woven Nets of <i>R</i>^6^~6~(40) and <i>R</i>^6^~6~(60) Rings in 1,1,3-Tris(2-methyl-4-hydroxy-5-<i>tert</i>-butylphenyl)butane‒Hexamethylenetetramine (1/1)","Acta Crystallographica Section C","1997","53","11","1637","1640","10.1107/S0108270197009293","","","0.7107","MolybdenumKα","","0.2502","0.0622","","0.1374","","0.106","","","0.815","","","1.229","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006695","8.39","0.0009","13.27","0.002","23.258","0.0015","90","","90","","90","","2589.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C104 H112 N8 O32 S8 -","4","1","KA1223","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael","Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine","Acta Crystallographica Section C","1997","53","11","1701","1703","10.1107/S0108270197007154","","","0.71069","MoKα","","0.0875","0.0725","","0.1939","0.1851","","","","1.088","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006696","8.352","0.001","10.664","0.001","12.65","0.001","90","","90","","90","","1126.68","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","1","KA1236","Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa","Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1997","53","11","1631","1634","10.1107/S0108270197008834","","","0.71093","MoKα","","0.0414","0.0294","","0.0744","0.0679","","","","1.083","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006697","14.486","0.002","11.1562","0.0007","6.373","0.002","90","","90","","90","","1029.9","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","KA1240","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa","Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1997","53","11","1629","1631","10.1107/S0108270197008846","","","0.71093","MoKα","","0.0434","0.038","","0.0917","0.0873","","","","1.114","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006698","5.8295","0.0007","5.5407","0.0007","16.345","0.002","90","","94.607","0.002","90","","526.23","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dinitro-2,2'-bipyridine","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C20 H12 N8 O8 -","2","0.5","KA1243","Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat","4,4'-Dinitro-2,2'-bipyridine","Acta Crystallographica Section C","1997","53","11","1719","1721","10.1107/S0108270197006586","","","0.71073","MoKα","","0.0456","0.0359","","0.0888","0.0852","","","","2.688","2.841","2.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006699","11.4923","0.0005","14.3227","0.0007","8.1715","0.0004","95.655","0.001","94.838","0.001","89.567","0.001","1333.72","0.11","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) (N,N-bis(3,5-dimethylpyrazolyl-1-ylmethyl)-1-hydroxy- 2-aminoethane)(3,5-dimethyl-pyrazol) bis(perchlorate)","","- C19 H31 Cl2 Cu N7 O9 -","- C19 H31 Cl2 Cu N7 O9 -","- C38 H62 Cl4 Cu2 N14 O18 -","2","1","KH1152","Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F.","[<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate","Acta Crystallographica Section C","1997","53","11","1549","1551","10.1107/S0108270197007932","","","0.71073","MoKα","","0.0442","0.0398","","0.1161","0.1125","","","","1.042","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006700","8.196","0.005","9.315","0.003","7.306","0.002","107.5","0.03","112.93","0.04","98.51","0.03","467.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethyl-1,3-propanediamine nickel(II) thiocyanate","","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","1","0.5","LI1152","Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Nirmalendu Ray Chaudhuri","Bis(<i>N</i>,<i>N</i>-dimethyl-1,3-propanediamine)bis(thiocyanato-<i>N</i>)nickel(II), Ni<i>L</i>~2~(NCS)~2~, and its Solid-State Isomer [<i>L</i> = NH~2~(CH~2~)~3~N(CH~3~)~2~]","Acta Crystallographica Section C","1997","53","11","1561","1564","10.1107/S010827019700588X","","","0.71073","MoKα","","0.026","0.024","","0.062","0.061","","","","0.988","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006701","7.354","0.001","8.477","0.001","25.511","0.003","90","","90","","90","","1590.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-chlorophenyl)amino-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C17 H14 Cl N5 S -","- C17 H13.872 Cl N5 S -","- C68 H55.488 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0675","0.0563","","0.1836","0.1461","","","","1.046","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006702","8.814","0.001","8.718","0.001","22.125","0.002","90","","90.8","0.01","90","","1699.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)amino-4-methyl-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C18 H16 Cl N5 S -","- C18 H15.664 Cl N5 S -","- C72 H62.656 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0529","0.0391","","0.1109","0.1048","","","","0.962","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006703","10.131","0.003","12.711","0.005","23.594","0.007","87.27","0.03","101.59","0.03","109.05","0.03","2812.8","1.7","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H49 Cu3 Mo N O P3 S4 -","- C59 H49 Cu3 Mo N O P3 S4 -","- C118 H98 Cu6 Mo2 N2 O2 P6 S8 -","2","1","MU1304","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping","Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum","Acta Crystallographica Section C","1997","53","11","1542","1543","10.1107/S010827019700382X","","","0.71073","MoKα","","","0.054","","","0.06","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006704","9.728","0.003","19.856","0.011","12.939","0.004","90","","103.75","0.03","90","","2427.7","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(di-μ-chloro-dichloroaluminium-1κ^2^Cl:2κ^2^Cl)(η^6^-toluene)neodymium","","- C7 H8 Al3 Cl12 Nd -","- C7 H8 Al3 Cl12 Nd -","- C28 H32 Al12 Cl48 Nd4 -","4","1","MU1314","Liu, Qiancai; Lin, Yong-Hua; Shen, Qi","An η^6^-Toluene Complex of Neodymium: [Nd(η^6^-C~6~H~5~CH~3~)(AlCl~4~)~3~]","Acta Crystallographica Section C","1997","53","11","1579","1580","10.1107/S0108270197004964","","","0.71069","MoKα","","","0.039","","","0.038","","","","","1.464","1.464","","","","","has coordinates","278316","2022-10-03","11:25:04",""
"2006705","10.725","0.001","11.126","0.002","18.368","0.003","93.41","0.01","90.05","0.01","112.61","0.01","2019.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Tetracarbonylbis[tris(4-chlorophenyl)phosphine]molybdenum(0)","","- C40 H24 Cl6 Mo O4 P2 -","- C40 H24 Cl6 Mo O4 P2 -","- C80 H48 Cl12 Mo2 O8 P4 -","2","1","MU1322","Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak","<i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1543","1545","10.1107/S0108270197009384","","","0.71073","MoKα","","0.109","0.048","","0.121","0.102","","","","0.81","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006706","8.028","0.001","12.349","0.002","14.922","0.003","90","","92.2","0.01","90","","1478.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N4 -","- C18 H11 Cl N4 -","- C72 H44 Cl4 N16 -","4","1","MU1327","Zhong-Lin Lu; Zhen-Wei Bian; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>o</i>-Chlorobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","Acta Crystallographica Section C","1997","53","11","1614","1615","10.1107/S0108270197008159","","","0.71073","MoKα","","0.1089","0.0414","","0.1017","0.0864","","","","0.808","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006707","14.922","0.002","15.157","0.002","23.606","0.003","90","","90","","90","","5339","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate","","- C28 H33 I N2 O4 -","- C28 H33 I N2 O4 -","- C224 H264 I8 N16 O32 -","8","1","MU1330","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You","<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate","Acta Crystallographica Section C","1997","53","11","1619","1620","10.1107/S0108270197009360","","","0.71073","MoKα","","0.1016","0.0596","","0.2024","0.1788","","","","0.984","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006708","18.262","0.002","7.096","0.001","26.315","0.002","90","","105.09","0.01","90","","3292.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,12-dibromo-5,6-dihydrodibenz[c,h]acridine","","- C21 H13 Br2 N -","- C21 H13 Br2 N -","- C168 H104 Br16 N8 -","8","1","MU1331","Jayanta Kumar Ray; Manash Kumar Haldar; Kandasamy Chinnakali; Hoong-Kun Fun","2,12-Dibromo-5,6-dihydrodibenz[<i>c</i>,<i>h</i>]acridine","Acta Crystallographica Section C","1997","53","11","1617","1619","10.1107/S0108270197009372","","","0.71073","MoKα","","0.1051","0.041","","0.1033","0.0857","","","","0.865","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006709","10.758","0.001","23.899","0.002","5.9","0.001","90","","90","","90","","1516.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid","","- C15 H12 Cl N O3 S -","- C15 H12 Cl N O3 S -","- C60 H48 Cl4 N4 O12 S4 -","4","1","MU1332","Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid","Acta Crystallographica Section C","1997","53","11","1622","1624","10.1107/S0108270197009396","","","0.71073","MoKα","","0.085","0.0384","","0.0817","0.0714","","","","0.816","1.021","1.021","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006710","8.836","0.001","10.065","0.001","19.071","0.005","90","","90","","90","","1696.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetoylphenylhydrazone","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","MU1336","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun","<i>N</i>-Acetoylphenylhydrazone","Acta Crystallographica Section C","1997","53","11","1621","1622","10.1107/S0108270197009402","","","0.71073","MoKα","","0.0624","0.0477","","0.1409","0.1308","","","","0.987","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006711","6.61","0.002","11.371","0.001","14.683","0.001","90","","91.73","0.01","90","","1103.1","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","trihydrate 1/1 salt between ((R)-3-Hydroxy-4-trimethylammonio)butiramide and ((1R,3S)-1,2,2-Trimethyl-1,3-cyclopentane dicarboxylic acid)","","- C17 H38 N2 O9 -","- C17 H31 N2 O9 -","- C34 H62 N4 O18 -","2","1","NA1264","De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O.","Trihydrate 1/1 Salt Between (<i>R</i>)-Carnitine Amide and (1<i>R</i>,3<i>S</i>)-Camphoric Acid","Acta Crystallographica Section C","1997","53","11","1679","1682","10.1107/S0108270197007178","","","1.54178","CuKα","","","0.059","","","0.081","","","","","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006712","4.0367","0.001","14.956","0.003","18.404","0.003","90","","90","","90","","1111.1","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Guanidinium bis[dichloromercury(II)]chloride,","","- C H6 Cl5 Hg2 N3 -","- C H6 Cl5 Hg2 N3 -","- C4 H24 Cl20 Hg8 N12 -","4","0.5","NA1294","Kubicki, Maciej; Szafrański, Marek","Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro}","Acta Crystallographica Section C","1997","53","11","1558","1561","10.1107/S0108270197007944","","","0.71073","MoKα","","0.077","0.062","","0.188","0.165","","","","1.087","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006713","8.123","0.001","10.58","0.002","10.981","0.002","98.52","0.01","101.76","0.01","105.97","0.01","867.1","0.3","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O8 Pb -","- C14 H18 O8 Pb -","- C28 H36 O16 Pb2 -","2","1","NA1300","John Fawcett; Paul Jenkins; David R. Russell; Andrew J. Wood; Jan Wolters; Dick de Vos","Tris(acetato-<i>O</i>,<i>O</i>')(2,4-dimethoxyphenyl)lead(IV)","Acta Crystallographica Section C","1997","53","11","1600","1602","10.1107/S010827019700574X","","","0.71073","MoKα","","0.056","0.043","","0.102","0.095","","","","1.013","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006714","10.501","0.002","14.235","0.003","12.485","0.002","90","","91.1","0.1","90","","1865.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[bis(N-methylpiperazine)Platinum(II)] dichloride tetrahydrate.","","- C10 H32 Cl2 N4 O4 Pt -","- C10 H24 N4 Pt -","- C40 H96 N16 Pt4 -","4","0.5","NA1302","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Piperazine (and Derivatives) Platinum(II) Complexes: <i>trans</i>-Bis(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1997","53","11","1580","1583","10.1107/S0108270197007506","","","1.5418","CuKα","","0.081","0.073","","0.213","0.202","","","","1.055","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006715","6.7832","0.0009","18.325","0.0003","27.751","0.0004","90","","90","","90","","3449.5","0.5","289","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen Ligand","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene)","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","NA1304","Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst","Acta Crystallographica Section C","1997","53","11","1685","1687","10.1107/S0108270197006379","","","0.71069","MoKα","","0.1362","0.0592","","0.2022","0.1356","","","","1.065","1.021","1.021","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006716","5.47","0.001","18.31","0.004","18.88","0.004","90","","90","","90","","1890.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C76 H108 N4 O24 -","4","1","NA1319","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose","Acta Crystallographica Section C","1997","53","11","1703","1705","10.1107/S010827019700913X","","","0.71073","MoKα","","0.102","0.069","","0.34","","0.174","","","1.078","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006717","6.398","0.002","23.965","0.001","14.687","0.005","90","","95.3","0.03","90","","2242.3","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,6'-di-t-butylcarbonyloxy-2-carbométhoxy-4-méthylènecyclooctanone.","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","2","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0447","0.0403","","0.1175","0.1128","","","","1.027","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006718","9.678","0.003","11.042","0.009","13.668","0.005","66.2","0.05","74.26","0.03","77.26","0.04","1276","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,6'-di-t-butylcarbonyloxy-2-phénylsulfonyl-4-méthylènecyclooctanone","","- C25 H34 O7 S -","- C25 H34 O7 S -","- C50 H68 O14 S2 -","2","1","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0457","0.0432","","0.1178","0.116","","","","1.059","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006719","9.481","0.001","12.592","0.001","14.322","0.001","114.559","0.001","95.919","0.001","95.249","0.001","1529.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl[η^4^-((E)-(2,6,6-Trimethyl-cyclohepta-2,4-dienylidene)-ethyl acetat)]triphenylphosphine-iron","","- C34 H35 Fe O4 P -","- C34 H35 Fe O4 P -","- C68 H70 Fe2 O8 P2 -","2","1","QA0015","Petrowitsch, Tanja; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dicarbonyl[η^4^-(<i>E</i>)-(2,6,6-trimethylcyclohepta-2,4-dienylidene)ethyl acetate](triphenylphosphine)iron","Acta Crystallographica Section C","1997","53","11","IUC9700023","","10.1107/S0108270197099356","","","0.71069","MoKα","","0.087","0.0389","","0.1088","0.0906","","","","0.74","0.824","0.824","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006720","24.778","0.009","9.442","0.003","9.537","0.006","90","","91.27","0.04","90","","2230.7","1.8","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(1-Adamantyl)acetamide","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","QA0021","Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo","<i>N</i>-(1-Adamantyl)acetamide","Acta Crystallographica Section C","1997","53","11","IUC9700024","","10.1107/S0108270197099319","","","0.71073","MoKα","","","0.057","","","","0.054","","","","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006721","12.331","0.002","21.349","0.002","15.849","0.002","90","","92.079","0.01","90","","4169.6","0.9","295.2","","295.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- As2 Co4 H50 K10 O93 W18 -","- As2 Co4 K10 O92 W18 -","- As4 Co8 K20 O184 W36 -","2","0.5","QA0022","Timothy J.R. Weakley","Potassium Bis(α-nonatungstoarsenato)diaquatetracobaltate(II) 23-Hydrate, K~10~[Co~4~(H~2~O)~2~(AsW~9~O~34~)~2~].23H~2~O","Acta Crystallographica Section C","1997","53","11","IUC9700025","","10.1107/S010827019709937X","","","0.71073","MoKα","","","0.0367","","","0.0402","","","","","1.825","1.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006722","6.967","0.005","18.876","0.009","10.157","0.006","90","","92.9","0.2","90","","1334","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-diethyl-3-(4-methylbenzoyl)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","QB0010","Angel Dago Morales; Santiago García-Granda; Yolanda Rodríguez Esteva; Ana Plutín Stevens; Gerardo Alexis Acosta Crespo","1,1-Diethyl-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section C","1997","53","11","IUC9700019","","10.1107/S0108270197099344","","","0.71073","MoKα","","0.1165","0.0429","","0.122","0.0987","","","","1.026","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006723","9.4775","0.0001","11.1589","0.0002","10.7089","0.0002","90","","111.505","0.001","90","","1053.71","0.03","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Triphenyl-1,2,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","QB0017","Bolte, Michael","Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K","Acta Crystallographica Section C","1997","53","11","IUC9700020","","10.1107/S0108270197099332","","","0.71073","MoKα","","0.0352","0.0349","","0.0888","0.0885","","","","1.076","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006724","7.446","0.006","11.41","0.007","6.44","0.01","103.83","0.08","92.3","0.1","82.07","0.06","526.2","1","295","","","","","","","","","","","5","P -1","-P 1","2","","Rubidium hydrogen bis(dichloroacetate)","","- C4 H3 Cl4 O4 Rb -","- C4 H3 Cl4 O4 Rb -","- C8 H6 Cl8 O8 Rb2 -","2","1","QB0023","Yoshida, Tadanori; Kashino, Setsuo","Rubidium Hydrogen Bis(dichloroacetate)","Acta Crystallographica Section C","1997","53","11","IUC9700021","","10.1107/S0108270197099368","","","0.71073","MoKα","","","0.031","","","","0.033","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006725","5.2107","0.0008","9.91","0.001","13.065","0.002","90","","98.1","0.01","90","","667.92","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","t-butyl carbamate","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","QB0024","Bursavich, Matthew G.; Fronczek, Frank R.","<i>tert</i>-Butyl Carbamate at 100K","Acta Crystallographica Section C","1997","53","11","IUC9700022","","10.1107/S0108270197099320","","","0.71073","Mo-Kα","","0.065","0.045","","0.042","0.041","","","","1.612","1.602","1.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006726","8.05","0.001","12.49","0.002","20.193","0.004","90","","95.97","0.01","90","","2019.3","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 Ca Cu2 N14 O4 S6 -","- C22 H48 Ca Cu2 N14 O4 S6 -","- C44 H96 Ca2 Cu4 N28 O8 S12 -","2","0.5","SK1074","Lu, Tian-Huey; Lin, Jyh-Liong; Lan, Wei-Jen; Chung, Chung-Sun","Bis[(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(thiocyanato-<i>S</i>)copper(II)] Diaquatetrakis(isothiocyanato-<i>N</i>)calcate(2‒) Dihydrate","Acta Crystallographica Section C","1997","53","11","1598","1600","10.1107/S0108270197008639","","","0.71073","MolybdenumKα","","0.026","0.026","","0.028","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006727","22.806","0.007","6.45","0.002","5.813","0.002","90","","90","","90","","855.1","0.5","213","0.2","213","0.2","","","","","","","","3","C m c 21","C 2c -2","36","heptamethylenediamine","1,7-diaminoheptane","","- C7 H18 N2 -","- C7 H18 N2 -","- C28 H72 N8 -","4","0.5","SK1075","Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter","Heptamethylenediamine at 213K","Acta Crystallographica Section C","1997","53","11","1715","1717","10.1107/S0108270197006471","","","1.5418","CuKα,Nifilter","","0.057","0.0493","","0.156","0.1471","","","","1.069","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006728","10.305","0.003","22.511","0.007","9.641","0.003","90","","83.25","0.02","90","","2221","1.2","293","2","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)flavonolatocopper(II) perchlorate","","- C25 H17 Cl Cu N2 O7 -","- C25 H17 Cl Cu N2 O7 -","- C100 H68 Cl4 Cu4 N8 O28 -","4","1","SK1079","Lippai, István; Speier, Gábor; Huttner, Gottfried; Zsolnai, László","(2,2'-Bipyridine)(flavonolato)copper(II) Perchlorate, [Cu(bpy)(fla)]ClO~4~","Acta Crystallographica Section C","1997","53","11","1547","1549","10.1107/S0108270197005568","","","0.71073","MoKα","","0.0591","0.0534","","0.1666","0.1624","","","","1.852","1.911","1.911","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006729","10.211","0.002","8.285","0.001","19.539","0.003","90","","99.32","0.01","90","","1631.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Amino-7-(4-morpholinobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine- 2,6-dione","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","SK1110","Karczmarzyk, Zbigniew; Pawłowski, Maciej","8-Amino-7-(4-morpholinobutyl)theophylline","Acta Crystallographica Section C","1997","53","11","1650","1653","10.1107/S0108270197006483","","","1.54184","CuKα","","0.0565","0.0486","","0.1514","","0.1457","","","1.007","","","1.039","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006730","9.157","0.003","10.815","0.003","10.855","0.004","75.78","0.01","85.9","0.01","84.42","0.01","1035.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1-Amino-2-diphenylphosphinobenzene)tetracarbonylmolybdenum(0)","","- C22 H16 Mo N O4 P -","- C22 H16 Mo N O4 P -","- C44 H32 Mo2 N2 O8 P2 -","2","1","SK1116","Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter","Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1545","1547","10.1107/S0108270197007518","","","0.7107","MoKα","","0.034","0.029","","0.058","0.056","","","","1.129","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006731","7.1807","0.0001","10.8165","0.0002","12.6864","0.0002","90","","90","","90","","985.35","0.03","143","","143","","","","","","","","","5","P m n 21","P 2ac -2","31","","N-Hydro-4-methylpyridinium Pentachloro(4-methylpyridino)titanate(IV) Acetonitrile at 143K","","- C14 H18 Cl5 N3 Ti -","- C14 H18 Cl5 N3 Ti -","- C28 H36 Cl10 N6 Ti2 -","2","0.5","SK1120","Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael","4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K","Acta Crystallographica Section C","1997","53","11","1583","1585","10.1107/S0108270197008949","","","0.71073","MoKα","","0.0548","0.0379","","0.0735","0.0681","","","","1.072","1.094","1.094","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006732","13.303","0.001","13.365","0.001","15.493","0.001","90","","90","","90","","2754.6","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Acetyl-ΔPhe-L-Ala-ΔPhe-D-Ala-Methylester","","- C27 H30 N4 O6 -","- C27 H30 N4 O6 -","- C108 H120 N16 O24 -","4","1","SX1026","Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo","Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester","Acta Crystallographica Section C","1997","53","11","1696","1698","10.1107/S0108270197007051","","","1.5418","CuKα","","0.054","0.046","","","0.063","","","","","1.87","1.87","","","","","has coordinates","208453","2020-10-21","18:00:00",""
"2006733","6.6176","0.0009","8.38","0.0005","47.742","0.0005","89.99","0.02","90.497","0.01","90.02","0.03","2647.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester","","- C24 H44 N2 O5 -","- C24 H44 N2 O5 -","- C96 H176 N8 O20 -","4","1","SX1028","Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon","<i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound","Acta Crystallographica Section C","1997","53","11","1682","1685","10.1107/S0108270197008329","","","0.7107","MoKα","","0.1298","0.0474","","0.1764","0.1366","","","","1.044","1.226","1.226","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006734","8.892","0.002","11.261","0.003","16.681","0.005","90","","93.7","0.02","90","","1666.8","0.8","293","2","","","","","","","","","","3","P 1 21 1","","","1-Hydroxybaccatin I","","","- C32 H44 O14 -","- C32 H44 O14 -","- C64 H88 O28 -","2","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0577","","","0.1507","","","","","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006735","10.723","0.003","14.354","0.003","18.592","0.004","90","","90","","90","","2861.6","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deacetoxydecinnamoyltaxinine J","","","- C28 H40 O9 -","- C28 H40 O9 -","- C112 H160 O36 -","4","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0553","","","0.1289","","","","","1.125","1.125","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2006736","13.497","0.005","4.5178","0.0011","13.211","0.004","90","","118.8","0.02","90","","705.9","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","TA1089","Gainsford, Graeme J.; Miller, Ian J.; Yorke, Selwyn C.; Rae, A. David","Pseudosymmetry in 2,5-Dimethyl-1,4-benzenediol","Acta Crystallographica Section C","1997","53","11","1673","1675","10.1107/S0108270197007191","","","0.71069","MoKα","","0.056","0.037","","0.094","0.086","","","","0.975","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006737","10.923","0.004","11.114","0.001","13.548","0.004","90","","99.52","0.01","90","","1622.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Calcium Potassium Tris(oxalato)chromate(III) Pentahydrate","","- C6 H10 Ca Cr K O17 -","- C6 H10 Ca Cr K O17 -","- C24 H40 Ca4 Cr4 K4 O68 -","4","1","TA1140","Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L.","Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","11","1576","1577","10.1107/S0108270197007762","","","0.71073","MoKα","","0.038","0.032","","0.091","0.087","","","","1.072","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006738","9.3529","0.0008","9.3529","0.0008","29.292","0.004","90","","90","","120","","2219.1","0.4","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Cs5 Mo21 S23 -","- Cs5 Mo21 S23 -","- Cs10 Mo42 S46 -","2","0.166667","TA1146","Picard, S.; Gougeon, P.; Potel, M.","Cs~5~Mo~21~S~23~","Acta Crystallographica Section C","1997","53","11","1519","1521","10.1107/S010827019700752X","","","0.71073","MoKα","","0.0669","0.0284","","0.0912","0.0881","","","","1.107","1.278","1.278","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006739","13.32","0.003","7.729","0.002","14.785","0.002","90","","90.256","0.014","90","","1522.1","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","calcium yttrium silicate","","","- Ca3 O18 Si6 Y2 -","- Ca2.997 O18 Si6 Y1.999 -","- Ca11.988 O72 Si24 Y7.996 -","4","0.5","TA1157","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(Si~3~O~9~)~2~","Acta Crystallographica Section C","1997","53","11","1533","1536","10.1107/S010827019700721X","","","0.71069","MoKα","","0.0327","0.0212","","0.0629","0.0577","","","","1.063","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006740","5.3907","0.0011","12.68","0.002","29.152","0.005","90","","90","","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C72 H92 Cl4 N8 O32 -","4","1","VJ1040","N. Srinivasan; R.K. Rajaram","<small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate","Acta Crystallographica Section C","1997","53","11","1711","1713","10.1107/S0108270197000577","","","0.71073","MoKα","","0.0789","0.0463","","0.2354","0.1016","","","","1.074","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006741","10.231","0.004","22.752","0.007","4.817","0.002","90","","90","","90","","1121.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","VJ1055","P. Karthe; N. Gautham; Anil Kumar; S.B. Katti","β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)","Acta Crystallographica Section C","1997","53","11","1694","1696","10.1107/S0108270197007361","","","0.7107","MoKα","","0.1311","0.0539","","0.1281","0.091","","","","0.844","0.841","0.841","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006742","16.001","0.001","11.821","0.003","9.641","0.001","90","","98.53","0.03","90","","1803.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","VJ1061","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","<i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1997","53","11","1671","1673","10.1107/S0108270197008640","","","0.71073","MoKα","","0.0638","0.037","","0.0845","0.0765","","","","0.869","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006743","14.762","0.003","5.832","0.002","4.039","0.002","90","","112.78","0.02","90","","320.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","p-dichlorobenzene","","- C6 H4 Cl2 -","- C6 H4 Cl2 -","- C12 H8 Cl4 -","2","0.5","AB1477","Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel","α-Phase <i>p</i>-Dichlorobenzene at 293K","Acta Crystallographica Section C","1997","53","12","1932","1935","10.1107/S0108270197007737","","","0.71069","MoKα","","0.0498","0.0495","","0.1361","0.1355","","","","1.069","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006744","14.341","0.001","15.206","0.001","17.716","0.002","90","","90","","90","","3863.3","0.6","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-dicyclohexyl-9,10-dihydro-9,10-ethanoanthracene- 11,12-dicarboxamide.cyclohexylamine.dimethylformamide. hydrogen chloride (1:1:1:1)","","- C39 H57 Cl N4 O3 -","- C39 H57 Cl N4 O3 -","- C156 H228 Cl4 N16 O12 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.167","0.084","","0.108","","0.095","","","","","","1.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006745","10.004","0.003","9.966","0.003","32.06","0.01","90","","90","","90","","3196.4","1.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1)","","- C30 H46 N2 O5 S2 -","- C30 H46 N2 O5 S2 -","- C120 H184 N8 O20 S8 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.163","0.088","","0.153","","0.108","","","0","","","2.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006746","13.972","0.006","10.557","0.004","18.596","0.014","90","","107.16","0.02","90","","2621","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(8R/8S)-8-Phenyl-6-[trans-(1R/1S,2S/2R)-2-phenylcyclohexoxy]-5,8-dihydro-2H- [1,2,4]-triazolo-[1,2-a]-pyridazin-1,3-dione-water(1/1).","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","AB1480","Santiago García-Granda; Rafael Santiago-García; Angel Suárez-Sobrino; Luis Angel López","(5<i>R</i>/5<i>S</i>)-2,5-Diphenyl-7-[<i>trans</i>-(1<i>R</i>/1<i>S</i>,2<i>S</i>/2<i>R</i>)-2-phenylcyclohexyloxy]-2,3,5,8-tetrahydro-1<i>H</i>-1,2,4-triazolo[1,2-<i>a</i>]pyridazine-1,3-dione‒Water (1/1): a Face-Selective Diels‒Alder Reaction of 2-Alkoxy-1,3-butadiene","Acta Crystallographica Section C","1997","53","12","1941","1943","10.1107/S0108270197007853","","","0.71073","MoKα","","0.19","0.0548","","0.1855","0.134","","","","1.011","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006747","12.4501","0.0009","18.6708","0.0011","7.984","0.0009","90","","90","","90","","1855.9","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 Pt -","- C16 H28 N2 O4 Pt -","- C64 H112 N8 O16 Pt4 -","4","1","AB1481","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate","Acta Crystallographica Section C","1997","53","12","1816","1819","10.1107/S0108270197010792","","","0.71069","MoKα","","","0.0309","","","0.0615","0.0657","","","","1.028","1.028","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006748","7.634","0.004","8.243","0.009","8.507","0.007","69.1","0.08","64.97","0.05","72.96","0.07","446.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(Acetyl)-3-(5-cyano-2-furyl)propenenitrile","","- C10 H6 N2 O2 -","- C10 H6 N2 O2 -","- C20 H12 N4 O4 -","2","1","AB1486","Viktor Vrábel; Július Sivý; Štefan Marchalín","2-Acetyl-3-(5-cyano-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","12","1926","1927","10.1107/S0108270197010809","","","0.71069","MoKα","","0.0882","0.0384","","0.0973","0.09","","","","0.941","1.196","1.196","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006749","7.552","0.003","8.172","0.001","15.624","0.003","90","","99.29","0.02","90","","951.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-5,8-dioxo-5,8-dihydro-furo[3,2-g]chromone","","- C12 H6 O5 -","- C12 H6 O5 -","- C48 H24 O20 -","4","1","AB1487","Yakoubi, Abderrahman; Jalel Eddine Hila; Habib, Boughzala; Bizid, Abdelmalek","The Khellin Quinone","Acta Crystallographica Section C","1997","53","12","1949","1950","10.1107/S0108270197010160","","","0.71069","MoKα","","0.0799","0.0464","","0.1205","0.1035","","","","1.093","1.19","1.19","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006750","10.64","0.002","5.987","0.002","12.726","0.003","90","","104.556","0.003","90","","784.6","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","AB1495","Ülkü, Dinçer; Tahir, M. Nawaz; Tanyeli, Cihangir; Demir, Ayhan S.; Dikici, Emre","2-Hydroxy-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section C","1997","53","12","1998","1999","10.1107/S0108270197012079","","","0.71069","MoKα","","","0.048","","","0.054","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006751","10.903","0.002","8.603","0.002","26.175","0.005","90","","90","","90","","2455.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","N^1^, N^2^-Diphenylacetamidine","","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","1","AB1499","Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.","<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine","Acta Crystallographica Section C","1997","53","12","1968","1971","10.1107/S0108270197011347","","","0.71073","MoKα","","0.1382","0.0453","","0.1079","0.0926","","","","0.672","1.117","1.117","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006752","18.676","0.005","12.553","0.004","16.657","0.003","90","","130.134","0.008","90","","2985.6","1.4","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[cadmium(II)-[bis-μ-(1,3-di-(4-pyridyl)propane-N:N') -μ-cyano-C,N-silver(I)-μ-cyano-C,N]]","","- C30 H28 Ag2 Cd N8 -","- C30 H28 Ag2 Cd N8 -","- C120 H112 Ag8 Cd4 N32 -","4","0.5","AV1010","Soma, Takayoshi; Iwamoto, Toschitake","Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane]","Acta Crystallographica Section C","1997","53","12","1819","1821","10.1107/S0108270197010196","","","0.71069","MoKα","","","0.0574","","","0.0488","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006753","22.5535","0.0001","10.4998","0.0001","12.1717","0.0002","90","","96.116","0.001","90","","2865.94","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(diphenylphosphine oxide)ferrocene Monohydrate at 173 K","","- C34 H30 Fe O3 P2 -","- C34 H30 Fe O3 P2 -","- C136 H120 Fe4 O12 P8 -","4","1","AV1015","Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.","A New Modification of 1,1'-Bis(diphenylphosphine oxide)ferrocene at 173K","Acta Crystallographica Section C","1997","53","12","1785","1786","10.1107/S0108270197011207","","","0.71073","MoKα","","0.109","0.074","","0.142","0.13","","","","1.123","1.203","1.203","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006754","10.5075","0.0015","10.6251","0.0015","23.407","0.003","90","","90","","90","","2613.2","0.6","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[8S-[7[R*(R*)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride","","- C22 H33 Cl N2 O6 S2 -","- C22 H33 Cl N2 O6 S2 -","- C88 H132 Cl4 N8 O24 S8 -","4","1","BK1260","Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R.","Spirapril Hydrochloride Hydrate","Acta Crystallographica Section C","1997","53","12","1917","1919","10.1107/S0108270197008287","","","0.71073","MoKα","","0.061","0.04","","0.108","0.092","","","","1.09","1.052","1.052","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2006755","14.493","0.002","14.493","0.002","10.191","0.002","90","","90","","120","","1853.8","0.5","130","2","130","2","","","","","","","","5","P 32","P 32","145","pyridinium trifluoroacetate","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","BK1317","Palmore, G. Tayhas R.; McBride-Wieser, Mary T.","Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers","Acta Crystallographica Section C","1997","53","12","1904","1907","10.1107/S0108270197009414","","","0.71073","MoKα","","0.0303","0.028","","0.126","0.0734","","","","1.057","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006756","15.018","0.007","17.517","0.004","8.226","0.004","90","","90","","90","","2164","1.5","150","","150","","","","","","","","","4","F m m 2","F 2 -2","42","","Bis[pentamethylcyclopentadiene]dibromothorium(IV)","","- C20 H30 Br2 Th -","- C20 H30 Br2 Th -","- C80 H120 Br8 Th4 -","4","0.25","BK1342","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1997","53","12","1794","1797","10.1107/S0108270197010056","","","0.71073","MoKα","","0.0313","0.031","","0.0342","0.034","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006757","11.5747","0.0013","10.7639","0.0007","7.2556","0.0007","90","","90","","90","","903.97","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cadmium glutamate dihydrate","","- C5 H11 Cd N O6 -","- C5 H11 Cd N O6 -","- C20 H44 Cd4 N4 O24 -","4","1","BK1343","Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade","Cadmium Glutamate Dihydrate","Acta Crystallographica Section C","1997","53","12","1815","1816","10.1107/S0108270197009426","","","0.71073","Mo","","","0.014","","","","0.02","","","","","","0.91","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2006758","7.027","0.004","12.436","0.003","14.39","0.004","90","","93.95","0.04","90","","1254.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-Dinitro-N,N-methylphenylamine","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","BM1140","Ellena, Javier; Punte, Graciela; Norma S. Nudelman","2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline","Acta Crystallographica Section C","1997","53","12","1930","1932","10.1107/S0108270197007403","","","0.71073","MoKα","","0.1037","0.0449","","0.1574","0.107","","","","1.102","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006759","5.717","0.01","10.051","0.013","29.07","0.03","90","","90","","90","","1670","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose","","- C15 H20 O7 S -","- C15 H20 O7 S -","- C60 H80 O28 S4 -","4","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71073","MoKα","","0.106","0.0568","","0.1484","0.1061","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006760","6.391","0.006","13.795","0.006","13.967","0.008","90","","100.17","0.06","90","","1212","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose","","- C22 H26 O9 S2 -","- C22 H26 O9 S2 -","- C44 H52 O18 S4 -","2","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71069","MoKα","","0.1396","0.0605","","0.1149","0.098","","","","0.968","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006761","4.965","0.004","9.728","0.005","18.168","0.012","90","","94.38","0.08","90","","874.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8-hydroxyquinoline-O-sulfuric acid","8-hydroxyquinoline-O-sulfuric acid","","- C9 H7 N O4 S -","- C9 H7 N O4 S -","- C36 H28 N4 O16 S4 -","4","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.118","0.047","","0.134","0.11","","","","1.021","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006762","7.572","0.004","8.475","0.004","8.567","0.004","111.6","0.05","97.05","0.04","99.53","0.04","493.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","8-hydroxyquinoline-O-sulfuric acid monohydrate","8-hydroxyquinoline-O-sulfuric acid monohydrate","","- C9 H9 N O5 S -","- C9 H9 N O5 S -","- C18 H18 N2 O10 S2 -","2","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.059","0.035","","0.105","0.092","","","","1.032","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006763","16.876","0.003","14.756","0.002","13.541","0.002","90","","90","","90","","3372","0.9","173","2","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetrachlorocatecholatochlorotripyridyl indium(III) diethylether solvate","","- C29 H35 Cl5 In N3 O4 -","- C29 H35 Cl5 In N3 O4 -","- C116 H140 Cl20 In4 N12 O16 -","4","0.5","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.0655","0.0456","","0.1213","0.1062","","","","1.169","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006764","25.504","0.007","17.64","0.007","18.572","0.004","90","","106.99","0.02","90","","7991","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachlorocatecholatochloropyridyl(1,10-phenanthroline) gallium (III) pyridine solvate","","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C324 H244 Cl40 Ga8 N52 O16 -","8","1","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.1085","0.0589","","0.1812","0.1528","","","","0.973","1.068","1.068","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006765","8.967","0.001","9.16","0.002","15.71","0.007","90","","90","","90","","1290.4","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl Benzhydrylamine Hydrochloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.0645","0.0367","","0.0996","0.0818","","","","1.081","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006766","9.615","0.002","9.102","0.002","15.933","0.003","90","","91.13","0.03","90","","1394.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-ethyl Benzhydrylamine Hydrochloride","","- C15 H18 Cl N -","- C15 H18 Cl N -","- C60 H72 Cl4 N4 -","4","2","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.1071","0.0523","","0.1163","0.0913","","","","1.033","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006767","7.3223","0.0007","7.6708","0.0006","13.216","0.001","105.062","0.009","92.139","0.008","110.002","0.009","667.03","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","1","0.5","BM1161","Nieuwenhuyzen, M.; Keyes, T. E.; Gallagher, J. F.; Vos, J. G.","A 2:1 Co-Crystal of Hydroquinone and 3,5-Bis(2-pyridyl)-1,2,4-triazole","Acta Crystallographica Section C","1997","53","12","1873","1875","10.1107/S0108270197009670","","","0.71073","MoKα","","0.076","0.048","","0.123","0.107","","","","1.036","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006768","18.703","0.002","9.955","0.001","15.016","0.001","90","","122.3","0.01","90","","2363.2","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-4-Nitrophenyl-trans-2-aminocyclohexanol","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","BM1172","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","<i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol","Acta Crystallographica Section C","1997","53","12","1865","1867","10.1107/S0108270197010159","","","0.71073","MoKα","","0.0971","0.0387","","0.0956","0.08","","","","0.817","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006769","9.233","0.001","15.283","0.001","7.448","0.001","90","","98.08","0.01","90","","1040.54","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-1,6-dimethyl-quinol-2-one Monohydrate","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","BM1174","Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate","Acta Crystallographica Section C","1997","53","12","1855","1857","10.1107/S0108270197010767","","","0.71073","MoKα","","0.0502","0.039","","0.1267","0.1208","","","","1.07","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006770","6.7468","0.0007","7.4849","0.0008","10.1537","0.001","84.349","0.002","76.61","0.001","74.816","0.002","481.01","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-aquatri(μ-chloro)tetrahydrofuranlanthanum(III)","","- C4 H10 Cl3 La O2 -","- C4 H9 Cl3 La O2 -","- C8 H18 Cl6 La2 O4 -","2","1","BM1180","Woodman, Timothy J.; Errington, William; Willey, Gerald R.","Polymeric Aquatri-μ-chloro-(tetrahydrofuran-<i>O</i>)lanthanum(III)","Acta Crystallographica Section C","1997","53","12","1801","1803","10.1107/S0108270197011165","","","0.71073","MoKα","","0.0562","0.045","","","","0.1085","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006771","29.896","0.002","4.1678","0.0004","28.487","0.002","90","","117.742","0.002","90","","3141.5","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Br N3 O -","- C18 H14 Br N3 O -","- C144 H112 Br8 N24 O8 -","8","1","BM1183","Malhotra, Sanjay; Parmar, Virinder S.; Errington, William","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1997","53","12","1885","1887","10.1107/S0108270197011384","","","0.71073","MoKα","","0.081","0.05","","","","0.112","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006772","7.2909","0.0008","8.8019","0.001","9.5696","0.0011","66.754","0.002","73.835","0.002","77.082","0.002","537.44","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","5,7-Dimethoxy-6-hydroxy-4-methylcoumarin","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","1","BM1185","Singh, Amarjit; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","6-Hydroxy-5,7-dimethoxy-4-methylcoumarin","Acta Crystallographica Section C","1997","53","12","1966","1968","10.1107/S0108270197011785","","","0.71073","MoKα","","0.079","0.057","","0.119","0.138","","","","1.15","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006773","5.8346","0.0003","12.0877","0.0008","15.0908","0.0009","90","","90","","90","","1064.31","0.11","293","","300","","","","","","","","","4","I m m m","-I 2 2","71","","strontium doped hexa barium hepta magnesium fluoride","","- Ba5.24 F26 Mg7 Sr0.76 -","- Ba5.26 F26 Mg7 Sr0.74 -","- Ba10.52 F52 Mg14 Sr1.48 -","2","0.125","BR1171","Kubel, Frank; Hagemann, Hans; Bill, Hans","Mixed Ba~5.24~Sr~0.76~Mg~7~F~26~","Acta Crystallographica Section C","1997","53","12","1735","1738","10.1107/S0108270197009931","","","1.54183","CuKα","","0.032","0.031","","0.028","0.028","","","","3.756","3.787","3.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006774","9.332","0.003","9.332","","11.264","0.002","90","","90","","120","","849.5","0.3","296.2","","296.2","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","tetra calcium platinum(IV) oxide","","- Ca4 O6 Pt -","- Ca4 O6 Pt -","- Ca24 O36 Pt6 -","6","0.166667","BR1172","Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad","Ca~4~PtO~6~","Acta Crystallographica Section C","1997","53","12","1740","1741","10.1107/S0108270197011700","","","0.7107","MoKα","","","0.0424","","","0.0494","","","","","3.282","3.282","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006775","11.1104","0.0002","11.1104","0.0002","11.1104","0.0002","90","","90","","90","","1371.48","0.04","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","iron tungsten nitride","","- Fe3 N W3 -","- Fe2.5 N0.5 W6 -","- Fe40 N8 W96 -","16","0.0833333","BR1183","Weil, Kenneth S.; Kumta, Prashant N.","Fe~3~W~3~N: a Rietveld Refinement Using X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","12","1745","1748","10.1107/S0108270197008305","","","","Cu","","","","","","","","","","1.3907","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006776","6.05098","0.00005","6.05098","0.00005","7.19498","0.00009","90","","90","","120","","228.145","0.004","295","","295","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","zinc dihydroxide divanadate dihydrate","","- H6 O11 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","1","0.0833333","BR1188","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data","Acta Crystallographica Section C","1997","53","12","1738","1739","10.1107/S0108270197009700","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006777","9.515","0.001","12.782","0.001","16.467","0.002","83.94","0.01","88.95","0.01","80.68","0.01","1965.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphinecarbondisulfide Tricyclohexylphosphinodithioformate, tricyclohexylphosphoniodithiocarboxylate, tricyclohexylphosphinemethanedithiolate, tricyclohexylphosphinodithiocarbamate, tricyclohexylphosphoniocarbodithioate,","Tricyclohexylphosphinodithioformate","","- C19 H33 P S2 -","- C19 H33 P S2 -","- C76 H132 P4 S8 -","4","2","BS1026","Vittal, Jagadese J.; Dean, Philip A.W.","Tricyclohexylphosphoniodithioformate","Acta Crystallographica Section C","1997","53","12","1879","1881","10.1107/S0108270197008755","","","0.71073","MoKα","","0.0586","0.0436","","0.1206","0.1139","","","","0.978","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006778","8.91","0.002","3.973","0.004","37.261","0.002","90","","92.9","0.01","90","","1317.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-cyano-2-p-bromophenyl-1,8a-azulene","1-cyano-2-p-bromophenyl-1,8a-azulene","","- C17 H10 Br N -","- C17 H10 Br N -","- C68 H40 Br4 N4 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","1.54178","CuKα","","0.0579","0.0376","","0.1215","0.1088","","","","1.141","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006779","7.441","0.006","41.869","0.006","5.934","0.007","90","","90","","90","","1849","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-azulene-methano-2-anthraquinoate","2-azulene-methano-2-anthraquinoate","","- C26 H16 O4 -","- C26 H16 O4 -","- C104 H64 O16 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","0.71069","MoKα","","0.0836","0.0384","","0.1234","0.0834","","","","1.255","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006780","21.3183","0.0005","5.6751","0.0002","22.505","0.0004","90","","90","","90","","2722.73","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.059","0.048","","0.113","0.104","","","","1.08","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006781","6.154","0.001","13.484","0.002","17.732","0.003","90","","90","","90","","1471.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 O2 -","- C17 H14 F2 O2 -","- C68 H56 F8 O8 -","4","1","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.072","0.034","","0.07","0.06","","","","1.05","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006782","8.87","0.002","11.956","0.003","13.699","0.003","90","","103.48","0.02","90","","1412.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cr N9 S4 -","- C20 H26 Cr N9 S4 -","- C40 H52 Cr2 N18 S8 -","2","0.5","BS1039","María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala","A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)]","Acta Crystallographica Section C","1997","53","12","1803","1805","10.1107/S0108270197010858","","","0.71073","MoKα","","0.0809","0.046","","0.1467","0.1062","","","","0.982","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006783","11.578","0.005","22.385","0.01","13.062","0.006","90","","104.21","0.04","90","","3282","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-di-(ethoxy-ethoxy-methoxy)calix[4]arene","","- C38 H44 O8 -","- C38 H44 O8 -","- C152 H176 O32 -","4","1","CF1134","Guelzim, Abdelhalim; Khrifi, Saâd; Baert, Francois; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","1,3-Di(ethoxy-ethoxy-methoxy)calix[4]arene","Acta Crystallographica Section C","1997","53","12","1958","1960","10.1107/S0108270197007105","","","0.7107","MoKα","","0.1157","0.0679","","0.0636","0.0591","","","","1.897","2.295","2.295","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006784","7.288","0.002","10.287","0.007","5.071","0.003","90","","90","","90","","380.2","0.4","103","","103","","","","","","","","","3","P n m a","-P 2ac 2n","62","pyrrole","1-aza-cyclopentadiene","","- C4 H5 N -","- C4 H5 N -","- C16 H20 N4 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0815","0.0584","","0.1509","0.1436","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006785","9.3307","0.0001","19.372","0.003","3.6982","0.0009","90","","90","","90","","668.47","0.19","193","","193","","","","","","","","","3","A m a 2","A 2 -2a","40","1,2,3-triazole","1H-1,2,3-triazole 2H-1,2,3-triazole cocrystal","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0637","0.0588","","0.1681","0.1624","","","","1.14","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006786","8.779","0.001","9.942","0.002","12.385","0.002","71.84","0.01","74.2","0.01","87.29","0.01","987.5","0.3","110","3","110","3","","","","","","","","5","P -1","-P 1","2","1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2-^, 2Na^+^.16H~2~O","H2TETP","","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","1","0.5","CF1178","Valérie Dahaoui-Gindrey; Slimane Dahaoui; Claude Lecomte; Frédéric Barbette; Roger Guilard","Disodium Hexadecahydrate Diprotonated Form of 1,4,8,11-Tetra(2-carboxy)ethyl-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2{-^} at 110 K","Acta Crystallographica Section C","1997","53","12","1797","1799","10.1107/S0108270197009694","","","0.7107","MoKα","","","0.03","","","0.036","","","","","1.59","1.59","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2006787","6.286","0.002","7.698","0.002","18.144","0.005","90.65","0.02","91.92","0.03","96.51","0.03","871.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","α-Cyclohexyl-β-Methoxycarbonyl-γ-Lactame","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","CF1182","Ben Amor, Fatma; Beltaif, Imen; Besbes, Rafâa; Amri, Hassen","Methyl 1-Benzyl-3-cyclohexyl-2-oxopyrrolidine-2-carboxylate","Acta Crystallographica Section C","1997","53","12","1919","1921","10.1107/S0108270197010287","","","0.7107","MoKα","","0.1045","0.0532","","0.1503","0.1219","","","","1.055","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006788","15.005","0.005","6.829","0.005","17.749","0.005","90","0.005","102.25","0.005","90","0.005","1777.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N O3 P -","- C15 H19 F6 N O3 P -","- C60 H76 F24 N4 O12 P4 -","4","1","CF1184","Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R.","A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene","Acta Crystallographica Section C","1997","53","12","1899","1901","10.1107/S0108270197011438","","","0.71069","MoKα","","0.19","0.0761","","0.2796","0.2026","","","","1.032","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006789","5.3861","0.0006","11.141","0.0011","27.411","0.003","90","","93.433","0.008","90","","1641.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-8-hydroxy-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C80 H72 O12 S4 -","4","1","CF1193","Senthil Kumar; Kandasamy Chinnakali; Kandasamy Sivakumar; Hoong-Kun Fun; Kamaraj Sriraghavan","8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","1854","1855","10.1107/S0108270197011451","","","0.71073","MoKα","","0.055","0.038","","0.118","0.102","","","","1.032","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006790","10.092","0.011","10.514","0.011","12.415","0.014","70.53","0.08","71.81","0.08","61.85","0.07","1076","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","Chloro-bis(2,6-dimethyl piperidino)phosphoramide trichloroantimonate","","- C14 H28 Cl4 N2 O P Sb -","- C14 H28 Cl4 N2 O P Sb -","- C28 H56 Cl8 N4 O2 P2 Sb2 -","2","1","DE1057","Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael","The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide","Acta Crystallographica Section C","1997","53","12","1789","1791","10.1107/S0108270197009487","","","0.71073","MoKα","","0.0342","0.0322","","0.0867","0.0853","","","","","1.147","1.147","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006791","8.819","0.001","15.244","0.002","6.828","0.002","90","","90","","90","","917.9","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Structure d'un Monophosphate synthétique de Magnésium et de Sodium: MgNaPO~4~","","- Mg3 Na3 O12 P3 -","- Mg3 Na3 O12 P3 -","- Mg12 Na12 O48 P12 -","4","1","DU1170","Imura, Hiroshi; Kawahara, Akira","Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~","Acta Crystallographica Section C","1997","53","12","1733","1735","10.1107/S0108270197003211","","","0.7107","MoKα","","","0.055","","","0.046","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006792","14.2087","0.0001","20.3168","0.0003","19.8322","0.0002","90","","110.085","0.0001","90","","5376.89","0.1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa[2,4,6-tri(isopropyl)thiophenolatogold(I)] Diethyl Ether Solvate","","- C94 H148 Au6 O S6 -","- C90 H138 Au6 S6 -","- C180 H276 Au12 S12 -","2","0.5","FG1278","LeBlanc, Daren J.; Lock, Colin J.L.","<i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate","Acta Crystallographica Section C","1997","53","12","1765","1768","10.1107/S010827019700930X","","","0.71073","MoKα","","0.1142","0.0533","","0.1049","0.09","","","","1.006","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006793","16.907","0.006","12.543","0.004","20.86","0.007","90","","117.89","0.03","90","","3910","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene sodium thiocyanate clathrate","","- C39 H52 N3 Na O7 S -","- C39 H52 N3 Na O7 S -","- C156 H208 N12 Na4 O28 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.0951","0.0548","","0.1516","0.1354","","","","1.064","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006794","13.921","0.012","11.397","0.011","25.53","0.02","90","","101.74","0.02","90","","3966","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene potassium thiocyanate monohydrate","","- C39 H54 K N3 O8 S -","- C39 H54 K N3 O8 S -","- C156 H216 K4 N12 O32 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.2244","0.0642","","0.2179","0.13","","","","1.056","1.108","1.108","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006795","11.252","0.01","14.272","0.013","25.99","0.02","90","","104.72","0.02","90","","4037","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene cesium perchlorate monohydrate C38 H52 Cs1 N2 O7 1+,Cl1 O4 1-,H2 O1","","- C38 H54 Cl Cs N2 O12 -","- C38 H54 Cl Cs N2 O12 -","- C152 H216 Cl4 Cs4 N8 O48 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.164","0.0686","","0.2265","0.1648","","","","1.04","1.068","1.068","","","","","has coordinates,has disorder","194538","2020-10-21","18:00:00",""
"2006796","21.21","0.009","14.745","0.006","11.807","0.005","90","","90","","90","","3693","3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate","","- C37 H48 K N3 O6 S -","- C37 H48 K N3 O6 S -","- C148 H192 K4 N12 O24 S4 -","4","0.5","FG1280","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","A K^+^ Complex of a [2.1]Cryptahemispherand at 295K","Acta Crystallographica Section C","1997","53","12","1832","1834","10.1107/S0108270197009542","","","0.7107","MoKα","","0.1167","0.0755","","0.2207","0.2016","","","","1.071","1.228","1.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006797","7.835","0.0014","37.23","0.008","11.318","0.003","90","0.02","90","0.02","90","0.02","3301.4","1.3","117","2","117","2","","","","","","","","4","P n a 21","P 2c -2n","33","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo(17.8 .5.1^3,7^,1^8,12^.1^13,17^)pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(3 3)-nonaene-2,18-dione C36 H44 N2 O8","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","1","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","0.71073","MoKα","","0.0781","0.061","","0.1616","0.1462","","","","1.05","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006798","16.055","0.004","15.37","0.004","14.64","0.003","90","0.02","90","0.02","90","0.02","3612.6","1.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione)","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","0.5","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","1.54184","CuKα","","0.0687","0.0601","","0.1724","0.1616","","","","1.056","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006799","19.919","0.002","14.725","0.002","21.387","0.002","90","","111.85","0.003","90","","5822.3","1.1","295","","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^]do triaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene sodium tetraphenylborate C34 H44 N2 Na1 O5 1+,C24 H20 B1 1-","","- C58 H64 B N2 Na O5 -","- C58.8 H64 B Cl0.6 N2 Na O5.5 -","- C235.2 H256 B4 Cl2.4 N8 Na4 O22 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.272","0.117","","0.388","0.324","","","","1.016","1.446","1.446","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006800","15.605","0.011","15.799","0.007","15.023","0.007","90","0.04","94.43","0.05","90","0.05","3693","4","115","2","115","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate)","","- C34.5 H51 B2 Cl N2 O5 -","- C34.51 H49.74 B2 Cl1.02 N2 O5 -","- C138.04 H198.96 B8 Cl4.08 N8 O20 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.135","0.077","","0.183","0.158","","","","1.034","1.193","1.193","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006801","11.5345","0.0001","13.7765","0.0002","15.1022","0.0001","90","","90","","90","","2399.82","0.04","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium Bis(azido)triphenylstannates","","- C23 H27 N7 Sn -","- C23 H27 N7 Sn -","- C92 H108 N28 Sn4 -","4","1","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0321","0.0247","","0.0514","","0.0484","","","1.069","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006802","27.1533","0.0004","9.9162","0.0002","19.0714","0.0001","90","","98.284","0.001","90","","5081.54","0.13","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinuclidinium bis(azido)triphenylstannates","","- C25 H29 N7 Sn -","- C25 H29 N7 Sn -","- C200 H232 N56 Sn8 -","8","2","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0696","0.0402","","0.1101","","0.088","","","1.091","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006803","6.437","0.0007","9.3798","0.0012","12.0427","0.0009","90","","90","","90","","727.11","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Deoxy-D-fructose","3-Deoxy-D-erythro-hexulose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FG1300","Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R.","3-Deoxy-<small>D</small>-fructose","Acta Crystallographica Section C","1997","53","12","1921","1923","10.1107/S0108270197009311","","","0.71069","MoKα","","0.045","0.036","","0.092","0.082","","","","0.919","0.919","0.919","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006804","7.641","0.003","16.534","0.001","18.569","0.002","90","","90","","90","","2345.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-bromine-7α-hydroxy-5β-cholan-24-oate","","- C25 H41 Br O3 -","- C25 H41 Br O3 -","- C100 H164 Br4 O12 -","4","1","FG1305","Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo","Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate","Acta Crystallographica Section C","1997","53","12","1881","1883","10.1107/S0108270197007464","","","0.71069","MoKα","","0.2017","0.0501","","0.1271","0.0771","","","","1.169","1.169","1.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006805","11.1451","0.0012","12.5674","0.0008","15.5207","0.0012","95.374","0.008","105.384","0.008","92.095","0.009","2082.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diperylenium(1+) bis[1,4-dihydro-2,3-quinoxalinedithionato(2)S,S^'^]cuprate(III)","","- C56 H32 Cu N4 S4 -","- C56 H32 Cu N4 S4 -","- C112 H64 Cu2 N8 S8 -","2","1","FG1309","Santos, Isabel C.; Ayllon, José A.; Henriques, Rui T.; Almeida, Manuel; Alcácer, Luís; Duarte, M. Teresa","A New Perylene Salt: Diperylenium(1+) Bis[quinoxaline-2,3-dithiolato(2 ‒)-<i>S</i>,<i>S</i>']cuprate(III)","Acta Crystallographica Section C","1997","53","12","1768","1770","10.1107/S0108270197007919","","","0.71069","MoKα","","0.2108","0.0549","","0.147","0.0861","","","","1.128","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006806","12.786","0.002","10.29","0.002","13.095","0.002","90","","118.7","0.01","90","","1511.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Famphur","O,O-Dimethyl-O-(p-(N,N-dimethylsulfamoyl)phenyl)phosphorothioate","","- C10 H16 N O5 P S2 -","- C10 H16 N O5 P S2 -","- C40 H64 N4 O20 P4 S8 -","4","1","FG1316","Baughman, Russell G.","Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate","Acta Crystallographica Section C","1997","53","12","1928","1929","10.1107/S0108270197011189","","","0.71073","MoKα","","0.068","0.044","","0.125","0.109","","","","1.052","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006807","10.955","0.002","11.186","0.002","6.221","0.002","97.13","0.02","100.69","0.02","79.52","0.02","733.4","0.3","170","1","170","1","","","","","","","","4","P -1","-P 1","2","","5(R),7-(1(S)-hydroxybenzyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-ene","","- C16 H20 O2 S -","- C16 H20 O2 S -","- C32 H40 O4 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.0764","0.0459","","0.1529","0.1219","","","","1.001","1.009","1.009","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006808","6.62","0.003","11.322","0.003","12.297","0.003","90","","103.52","0.03","90","","896.1","0.5","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7-(1'-2-hydroxypropyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-enyl p-methoxy benzoate","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.1169","0.0538","","0.232","0.14","","","","1.128","1.192","1.192","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006809","7.065","0.002","7.199","0.001","9.726","0.002","105.61","0.01","103.46","0.01","99.61","0.01","449.21","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,5-trimethylbenzoic acid","","- C10 H12 O2 -","- C10 H12 O2 -","- C20 H24 O4 -","2","1","FG1324","Barcon, Alan; Coté, Marie L.; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","2,4,5-Trimethylbenzoic Acid","Acta Crystallographica Section C","1997","53","12","1842","1845","10.1107/S0108270197009335","","","0.71073","MoKα","","0.092","0.05","","0.149","0.122","","","","1.025","1.106","1.106","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006810","8.151","0.001","13.426","0.002","8.344","0.002","90","","116.04","0.01","90","","820.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(+\-)-3-Oxoindanecarboxylic Acid","(+\-)-2,3-Dihydro-3-oxo-1H-indenecarboxylic Acid","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.098","0.056","","0.147","0.124","","","","1.03","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006811","5.984","0.001","7.763","0.001","11.086","0.001","107.29","0.01","105.32","0.01","93.12","0.01","469.27","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(+\-)-3-Oxoindanecarboxylic Acid Monohydrate","(+\-)-2,3-Dihydro-3-oxo-1H-indenecaboxylic Acid Monohydrate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.121","0.056","","0.15","0.117","","","","1.03","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006812","9.0207","0.0006","10.1127","0.0008","10.5364","0.001","90","","111.809","0.006","90","","892.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C32 H60 N4 O8 -","4","1","FG1349","Hollenberg, Niels; Grahn, Walter; Jones, Peter G.","1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone","Acta Crystallographica Section C","1997","53","12","1851","1852","10.1107/S0108270197009347","","","0.71073","MoKα","","0.047","0.037","","0.103","0.099","","","","1.05","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006813","7.3743","0.0009","6.6684","0.0007","14.1803","0.0011","90","","95.074","0.009","90","","694.58","0.12","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","(5aS,7S)-7-Isopropenyl-3-methyl-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","FG1352","Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y.","(5a<i>S</i>,7<i>S</i>)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one","Acta Crystallographica Section C","1997","53","12","1995","1997","10.1107/S0108270197011220","","","0.71069","MoKα","","0.1022","0.0378","","0.1151","","0.0891","","","1.026","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006814","5.3498","0.0011","19.754","0.003","11.665","0.002","90","","93.97","0.02","90","","1229.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amide","","- C8 H19 N3 O4 S2 -","- C8 H19 N3 O4 S2 -","- C32 H76 N12 O16 S8 -","4","1","FG1353","Henschel, Dagmar; Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCII. 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amidate","Acta Crystallographica Section C","1997","53","12","1877","1879","10.1107/S0108270197011633","","","0.71073","MoKα","","0.066","0.045","","0.117","0.103","","","","1.033","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006815","8.2035","0.0016","15.747","0.003","13.842","0.003","90","","93.638","0.016","90","","1784.5","0.6","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-O)(1,4,7,10-tetraoxacyclododecane)lithium","","- C14 H20 Li N O8 S2 -","- C14 H20 Li N O8 S2 -","- C56 H80 Li4 N4 O32 S8 -","4","1","FG1354","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium","Acta Crystallographica Section C","1997","53","12","1809","1811","10.1107/S0108270197011232","","","0.71073","MoKα","","0.045","0.0349","","0.0851","0.0787","","","","1.05","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006816","21.903","0.004","10.449","0.0014","10.1168","0.0014","90","","107.298","0.012","90","","2210.7","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(diphenylphosphino)methane Diselenide","","- C25 H22 P2 Se2 -","- C25 H22 P2 Se2 -","- C100 H88 P8 Se8 -","4","0.5","FG1358","Ahrens, Birte; Jones, Peter G.","A New Modification of Bis(diphenylphosphino)methane Diselenide","Acta Crystallographica Section C","1997","53","12","1852","1854","10.1107/S0108270197011463","","","0.71073","MoKα","","0.0587","0.0369","","0.0936","0.0884","","","","0.925","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006817","7.372","0.005","7.688","0.005","10.76","0.008","83.56","0.05","81.6","0.04","67.46","0.04","556.2","0.7","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","","- C8 H8 N2 O4 S2 -","- C8 H8 N2 O4 S2 -","- C16 H16 N4 O8 S4 -","2","1","FG1377","Jones, Peter G.; Wirth, Andreas; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCVIII. 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","Acta Crystallographica Section C","1997","53","12","1897","1899","10.1107/S0108270197012080","","","0.71073","MoKα","","0.0452","0.0358","","0.0901","0.0844","","","","1.071","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006818","11.645","0.002","11.645","0.002","38.273","0.008","90","","90","","120","","4494.7","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","Monoammonium bis(D-penicillaminato-S)aurate(I) 3.667 hydrate","","- C10 H31.333 Au N3 O7.667 S2 -","- C10 H31.3333 Au N3 O7.66667 S2 -","- C90 H282 Au9 N27 O69 S18 -","9","0.5","FR1038","LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L.","Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate","Acta Crystallographica Section C","1997","53","12","1763","1765","10.1107/S0108270197009724","","","0.56086","AgKα","","0.0347","0.0277","","0.0598","0.0581","","","","0.995","1.031","1.031","","","","","has coordinates,has disorder","187340","2020-10-21","18:00:00",""
"2006819","7.996","0.001","20.776","0.002","9.761","0.001","90","","101.32","0.01","90","","1590","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2'-hydroxy-4-N-methylstilbazonium iodide methanol solvate","1-methyl-4-(2-(2-hydroxyphenyl)vinyl)pyridium iodide methanol solvate","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C60 H72 I4 N4 O8 -","4","1","FR1059","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei","2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH","Acta Crystallographica Section C","1997","53","12","1895","1897","10.1107/S0108270197010342","","","0.71073","MoKα","","0.044","0.027","","0.065","0.061","","","","0.989","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006820","8.584","0.001","16.066","0.003","16.097","0.002","90","","92.93","0.01","90","","2217","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 3',6'-bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","","- C26 H22 Cl2 O4 -","- C26 H22 Cl2 O4 -","- C104 H88 Cl8 O16 -","4","1","FR1060","Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan","Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","Acta Crystallographica Section C","1997","53","12","1871","1873","10.1107/S0108270197010172","","","1.54187","CuKα","","0.0718","0.0664","","0.2026","0.1892","","","","1.054","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006821","6.105","0.0006","6.252","0.0006","14.547","0.001","90","0.009","90","0.009","90","0.009","555.24","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O -","- C6 H7 N O -","- C24 H28 N4 O4 -","4","1","FR1062","Suchod, Bernadette; Lajzerowicz, Janine; Collet, André","({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam)","Acta Crystallographica Section C","1997","53","12","1911","1912","10.1107/S0108270197011311","","","0.71073","MoKα","","0.057","0.057","","0.028","0.028","","","","3.274","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006822","8.584","0.002","8.893","0.002","13.851","0.003","106.94","0.02","101.9","0.02","96.5","0.02","972.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride . 2 dimethyl sulfoxide","","","- C18 H18 O9 S2 -","- C18 H18 O9 S2 -","- C36 H36 O18 S4 -","2","1","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.7093","MoKα","","","0.052","","","","0.04","","","","","","2.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006823","7.88","0.002","5.322","0.001","12.6012","0.0009","90","","107.257","0.009","90","","504.67","0.17","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride","","","- C14 H4 O6 -","- C14 H4 O6 -","- C28 H8 O12 -","2","0.5","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.71073","MoKα","","","0.051","","","","0.053","","","","","","1.79","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006824","8.48","0.001","9.336","0.001","11.187","0.001","90","","98.351","0.002","90","","876.28","0.16","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-cis-2-phenylcyclopropanecarboxylic acid","(±)-cis-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","FR1081","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in (±)-<i>cis</i>-2-Phenylcyclopropanecarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1989","1991","10.1107/S0108270197011104","","","0.71073","MoKα","","","0.06","","","","0.08","","","","","","1.39","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006825","18.012","0.002","18.039","0.002","7.579","0.001","90","","90","","90","","2462.6","0.5","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","","- C14 H12 O6 -","- C14 H12 O6 -","- C112 H96 O48 -","8","1","FR1083","Gerkin, Roger E.","5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1987","1989","10.1107/S0108270197011475","","","0.71073","MoKα","","","0.065","","","","0.059","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006826","18.9237","0.0002","18.9167","0.0002","8.7226","0.0001","90","","90","","90","","3122.46","0.06","143","","143","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-methane","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","HA1194","Bolte, Michael; Scholtyssik, Maria","A Tetragonal-Looking But Twinned Orthorhombic Structure","Acta Crystallographica Section C","1997","53","12","1869","1871","10.1107/S0108270197009438","","","0.71073","MoKα","","0.034","0.033","","0.092","0.091","","","","1.062","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006827","6.025","0.001","10.519","0.001","9.584","0.001","90","","105.91","0.01","90","","584.14","0.13","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis-(trimethylsilyl)acetylene","","- C8 H18 Si2 -","- C8 H18 Si2 -","- C16 H36 Si4 -","2","0.5","JZ1194","Joachim Bruckmann; Carl Krüger","Bis(trimethylsilyl)acetylene","Acta Crystallographica Section C","1997","53","12","1845","1846","10.1107/S0108270197005684","","","0.71069","MoKα","","0.0484","0.0454","","0.1277","0.1244","","","","1.098","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006828","8.7652","0.001","7.8844","0.001","9.64","0.002","90","","91.468","0.01","90","","665.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd La O10 -","- B5 Cd La O10 -","- B20 Cd4 La4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0382","0.0245","","0.061","0.0585","","","","1.045","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006829","8.588","0.003","7.8819","0.0014","9.583","0.002","90","","92.34","0.02","90","","648.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd O10 Sm -","- B5 Cd O10 Sm -","- B20 Cd4 O40 Sm4 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0466","0.0293","","0.0901","0.0869","","","","1.148","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006830","8.5477","0.0012","7.881","0.002","9.58","0.002","90","","92.53","0.02","90","","644.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd Eu O10 -","- B5 Cd Eu O10 -","- B20 Cd4 Eu4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0614","0.0393","","0.0949","0.0893","","","","0.989","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006831","8.9206","0.0019","10.484","0.002","10.8614","0.0017","93.046","0.014","93.663","0.015","99.182","0.016","998.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazole)(N-salicylideneglycinato)copper(II)","","- C19 H23 Cu N5 O3 -","- C19 H23 Cu N5 O3 -","- C38 H46 Cu2 N10 O6 -","2","1","JZ1209","Warda, Salam A.","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","12","1759","1761","10.1107/S0108270197009104","","","1.54178","CuKα","","0.0446","0.0442","","","","0.128","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006832","15.564","0.003","12.441","0.002","7.8","0.002","90","","99.49","0.03","90","","1489.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- I7 Nb3 S -","- I7 Nb3 S -","- I28 Nb12 S4 -","4","1","JZ1212","Schmidt, Peter Josef; Thiele, Gerhard","A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~","Acta Crystallographica Section C","1997","53","12","1743","1745","10.1107/S0108270197008196","","","0.71069","MoKα","","0.0439","0.0305","","0.0923","0.0769","","","","1.082","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006833","9.634","0.004","8.586","0.002","5.304","0.002","90","","109.69","0.03","90","","413.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","vanadium lithium metasilicate","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","JZ1217","Satto, Christine; Millet, Patrice; Galy, Jean","Lithium Vanadium Metasilicate, LiVSi~2~O~6~","Acta Crystallographica Section C","1997","53","12","1727","1728","10.1107/S0108270197008585","","","0.71069","MoKα","","","0.0189","","","0.0162","","","","","1.0784","1.0784","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006834","13.307","0.002","24.15","0.003","14.74","0.002","90","","90","","90","","4736.9","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexamethylenetetramine‒1,1,1-tris(4-hydroxyphenyl)ethane (1/1).","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C208 H240 N32 O24 -","8","1","JZ1225","Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.","Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine‒1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)","Acta Crystallographica Section C","1997","53","12","1978","1980","10.1107/S010827019701086X","","","0.7107","MolybdenumKα","","0.1996","0.0601","","0.1292","0.1025","","","","0.819","1.227","1.227","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006835","5.7094","0.0004","6.8207","0.0004","9.3291","0.0006","90","","90","","90","","363.29","0.04","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","Europium nitridosilicate","Dieuropium-pentasiliconoctanitride","","- Eu2 N8 Si5 -","- Eu2 N8 Si5 -","- Eu4 N16 Si10 -","2","0.5","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0278","0.0237","","0.0471","0.0458","","","","1.122","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006836","5.9822","0.0003","5.9822","0.0003","9.7455","0.0004","90","","90","","120","","302.03","0.02","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Europium ytterbium nitridosilicate","Europium-ytterbium-tetrasiliconheptanitride","","- Eu N7 Si4 Yb -","- Eu N7 Si4 Yb -","- Eu2 N14 Si8 Yb2 -","2","0.166667","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0261","0.0212","","0.0491","0.0478","","","","1.068","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006837","10.6688","0.0001","10.7353","0.0001","18.8291","0.0002","83.323","0.001","83.735","0.001","76.03","0.001","2071.21","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","octaphenylcyclotetrasiloxane","","- C48 H40 O4 Si4 -","- C48 H40 O4 Si4 -","- C96 H80 O8 Si8 -","2","1","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0375","0.0301","","0.0825","0.0784","","","","1.031","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006838","6.3603","0.0001","17.8106","0.0003","9.3363","0.0001","90","","99.036","0.001","90","","1044.5","0.03","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5,7-Tetra(cyclotetramethylen)cyclotetrasiloxane","","- C16 H32 O4 Si4 -","- C16 H32 O4 Si4 -","- C32 H64 O8 Si8 -","2","0.5","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0891","0.0546","","","","0.1227","","","","","","1.048","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006839","22.995","0.006","8.0989","0.0008","19.225","0.004","90","","117.76","0.02","90","","3168.3","1.2","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(4-methoxyphenylsulfonyl)methane","","- C15 H16 O6 S2 -","- C15 H16 O6 S2 -","- C120 H128 O48 S16 -","8","1","JZ1232","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Bis(4-methoxyphenylsulfonyl)methane: a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1997","53","12","1975","1978","10.1107/S0108270197011566","","","0.7107","MolybdenumKα","","0.0863","0.0401","","0.1038","","0.0942","","","1.002","","","1.17","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006840","8.455","0.003","7.798","0.003","21.508","0.005","90","","91.37","0.02","90","","1417.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","KA1227","Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K.","5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1997","53","12","1862","1864","10.1107/S0108270197008810","","","1.54178","CuKα","","0.0842","0.0729","","0.2203","0.1926","","","","1.08","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006841","16.803","0.004","7.502","0.002","14.647","0.005","90","","115.39","0.03","90","","1668","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trifluoro-3-phenylbutyl-2-p-nitrobenzoate","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","1","KA1232","Faure, René; Félix, Caroline; Laurent, André; Mison, Pierre","1,1,1-Trifluoro-3-phenyl-2-butyl <i>p</i>-Nitrobenzoate","Acta Crystallographica Section C","1997","53","12","1935","1937","10.1107/S0108270197008822","","","1.5418","CuKα","","","0.057","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006842","20.431","0.004","6.192","0.001","5.136","0.001","90","0.01","95.79","0.02","90","0.01","646.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Proline Monohydrate","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","KA1239","Janczak, Jan; Luger, Peter","<small>L</small>-Proline Monohydrate at 100 K","Acta Crystallographica Section C","1997","53","12","1954","1956","10.1107/S0108270197011487","","","1.54179","CuKα","","0.033","0.033","","0.084","0.084","","","","1.207","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006843","7.656","0.001","7.801","0.001","8.547","0.001","111.95","0.01","99.76","0.01","90.09","0.01","465.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Endo,endo-2,5-dibromo-9-oxabicyclo[4.2.1]nonane","","- C8 H12 Br2 O -","- C8 H12 Br2 O -","- C16 H24 Br4 O2 -","2","1","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.0833","0.0387","","0.1077","0.0963","","","","1.006","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006844","12.433","0.002","25.248","0.004","5.59","0.001","90","","90","","90","","1754.7","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane","","- C20 H22 O S2 -","- C20 H22 O S2 -","- C80 H88 O4 S8 -","4","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.1037","0.0566","","0.1843","0.165","","","","1.059","1.217","1.217","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006845","6.143","0.001","6.521","0.001","9.194","0.001","90","","106.73","0.01","90","","352.71","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-Dioxatricyclo[4.2.1.1^2,5^]decane","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","1.54178","CuKα","","0.0636","0.0629","","0.1836","0.1833","","","","1.077","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006846","14.208","0.004","16.484","0.006","6.663","0.002","90","","90","","90","","1560.5","0.9","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","LN1007","Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M.","Cyclopropanation of a β-Himachalene Monoepoxide Derivative","Acta Crystallographica Section C","1997","53","12","1943","1945","10.1107/S0108270197009888","","","0.71073","MoKα","","0.043","0.036","","","0.048","","","","","1.84","1.84","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006847","9.518","0.002","14.003","0.002","14.977","0.003","90","","90","","90","","1996.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","LN1010","Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis","(3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one","Acta Crystallographica Section C","1997","53","12","1971","1973","10.1107/S010827019701158X","","","0.71069","MoKα","","0.0418","0.0406","","0.1067","","0.1053","","","1.095","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006848","13.237","0.003","8.309","0.002","13.954","0.004","90","","104.17","0.03","90","","1488.1","0.7","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1)","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C52 H84 N4 O20 S4 -","2","1","LN1011","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1997","53","12","1875","1877","10.1107/S010827019701007X","","","0.71073","MoKα","","0.0341","0.0311","","0.0796","0.0756","","","","1.042","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006849","10.349","0.004","13.981","0.006","10.247","0.004","90","","102.46","0.06","90","","1447.7","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis[bis(dimethylamino)]-N-methyldiborylamine","","- C9 H27 B2 N5 -","- C8.5 H27 B2 N4.5 -","- C34 H108 B8 N18 -","4","0.5","LN1012","Meller, Anton; Hoppe, Holger; Albers, Thomas","1,3-Bis[bis(dimethylamino)]-<i>N</i>-methyldiborylamine","Acta Crystallographica Section C","1997","53","12","1951","1952","10.1107/S0108270197010822","","","0.71073","MoKα","","0.064","0.056","","0.162","0.149","","","","1.068","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006850","9.031","0.001","14.262","0.002","20.58","0.002","90","","90","","90","","2650.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(γ-methyl-N^α^-triphenylmethylglutamyl)benzotriazole 1-Oxide","","- C31 H28 N4 O4 -","- C31 H28 N4 O4 -","- C124 H112 N16 O16 -","4","1","LN1017","Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios","(<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide","Acta Crystallographica Section C","1997","53","12","1973","1975","10.1107/S0108270197011591","","","0.71069","MoKα","","0.048","0.046","","0.123","","0.12","","","1.069","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006851","14.963","0.004","9.78","0.003","15.734","0.005","90","","115.76","0.02","90","","2073.7","1.1","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-N,O)(1,4,7,10,13-pentaoxacyclododecane)sodium","","- C16 H24 N Na O9 S2 -","- C16 H24 N Na O9 S2 -","- C64 H96 N4 Na4 O36 S8 -","4","1","LN1019","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1997","53","12","1811","1813","10.1107/S0108270197011062","","","0.71073","MoKα","","0.0686","0.0467","","0.1173","0.1022","","","","1.03","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006852","5.8656","0.0002","14.0699","0.0002","17.8671","0.0002","90","","92.335","0.004","90","","1473.32","0.06","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","MU1315","Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan","3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one","Acta Crystallographica Section C","1997","53","12","1945","1947","10.1107/S0108270197009748","","","0.71073","MoKα","","","0.055","","","0.064","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006853","19.289","0.004","6.058","0.001","16.792","0.003","90","","98.23","0.01","90","","1942","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N -","- C27 H21 N -","- C108 H84 N4 -","4","1","MU1329","Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun","6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1997","53","12","1864","1865","10.1107/S0108270197009359","","","0.71073","MoKα","","0.0769","0.042","","0.1379","0.117","","","","0.891","1.012","1.012","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006854","10.381","0.001","12.556","0.001","6.883","0.001","90","","102.07","0.01","90","","877.32","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dimethoxy-4-nitrobenzene.","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0842","0.0454","","0.1404","0.1219","","","","0.957","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006855","7.025","0.001","13.89","0.002","10.356","0.001","90","","99.03","0.01","90","","998","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-Trimethoxy-1-nitrobenzene","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0568","0.0408","","0.1324","0.1236","","","","1.013","1.147","1.147","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006856","12.1275","0.0012","7.5965","0.0007","13.989","0.0014","90","","96.006","0.009","90","","1281.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,4,5-trimethoxyphenyl)-1-butanone.","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.072","0.0419","","0.132","0.1174","","","","0.965","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006857","10.399","0.001","5.806","0.001","28.126","0.002","90","","93.02","0.01","90","","1695.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(3,4-dimethoxybenzyl)ether","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0842","0.0398","","0.1104","0.096","","","","0.865","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006858","6.274","0.001","10.571","0.001","15.426","0.001","86.49","0.01","80.78","0.01","87.72","0.01","1007.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0698","0.0432","","0.1263","0.1158","","","","0.949","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006859","5.191","0.004","11.627","0.006","12.998","0.007","75.8","0.04","79.33","0.06","88.49","0.06","747.2","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C28 H30 N2 O16 -","2","1","MU1340","Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","An Extended Imide Containing Two Methylene Meldrum's Acid Units","Acta Crystallographica Section C","1997","53","12","1956","1958","10.1107/S0108270197009773","","","0.71073","MoKα","","0.2159","0.0645","","0.1127","0.0753","","","","0.98","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006860","14.5643","0.0011","7.1338","0.0011","21.231","0.002","90","","105.021","0.008","90","","2130.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis{(2-pyridyl)pyrazine}copper(II) complex, C~24~H~16~N~6~Cl~2~Cu","","- C24 H16 Cl2 Cu N6 -","- C24 H16 Cl2 Cu N6 -","- C96 H64 Cl8 Cu4 N24 -","4","1","MU1342","Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura","Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)]","Acta Crystallographica Section C","1997","53","12","1813","1815","10.1107/S0108270197011396","","","0.71073","MoKα","","0.041","0.033","","0.093","0.09","","","","1.084","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006861","13.48","0.002","11.459","0.003","15.89","0.003","90","","90.37","0.02","90","","2454.4","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2'-S-hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diami- nocyclohexane","","- C23 H24 Cl4 N2 O3 -","- C23 H24 Cl4 N2 O3 -","- C92 H96 Cl16 N8 O12 -","4","2","NA1272","Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio","The Chiral Selector <i>N</i>-(2'-<i>S</i>-Hydroxypropyl)-<i>N</i>,<i>N</i>'-bis(3,5-dichlorobenzoyl)-1<i>R</i>,2<i>R</i>-diaminocyclohexane","Acta Crystallographica Section C","1997","53","12","1937","1939","10.1107/S0108270197008068","","","1.5458","CuKα","","0.1415","0.088","","0.3335","0.2162","","","","1.15","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006862","11.0244","0.001","7.5621","0.001","19.9172","0.001","90","","91.407","0.004","90","","1659.9","0.3","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","NA1299","Özbey, Süheyla; Kendi, Engin; Göker, Hakan; Ertan, Rahmiye","2-(2-Ethoxycarbonyl-1,4-benzodioxan-7-yl)-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1997","53","12","1981","1983","10.1107/S0108270197009864","","","0.71073","MoKα","","","0.053","","","0.05","","","","","0.8","0.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006863","6.0144","0.0006","13.8744","0.0008","27.517","0.002","90","","90","","90","","2296.2","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride","","- C22 H30 Cl N2 O4 P -","- C22 H30 Cl N2 O4 P -","- C88 H120 Cl4 N8 O16 P4 -","4","1","NA1308","Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter","Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride","Acta Crystallographica Section C","1997","53","12","1952","1954","10.1107/S0108270197008524","","","1.54184","CuKα","","0.0353","0.0325","","0.084","","0.084","","","1.069","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006864","14.02","0.002","14.02","0.002","33.005","0.005","90","","90","","120","","5618.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex","","- C39 H36 B F4 N3 O7 -","- C39 H36 B F4 N3 O7 -","- C234 H216 B6 F24 N18 O42 -","6","0.333333","NA1311","Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.","Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex","Acta Crystallographica Section C","1997","53","12","1909","1911","10.1107/S010827019701024X","","","0.70926","MoKα","","0.126","0.053","","0.13","0.102","","","","1.027","1.199","1.199","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006865","7.287","0.003","13.779","0.004","7.415","0.005","90","","99.55","0.1","90","","734.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.1806","0.0497","","","","0.1544","","","","","","0.995","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006866","7.259","0.002","13.757","0.004","7.377","0.003","90","","99.87","0.03","90","","725.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.13","0.0424","","","","0.1128","","","","","","1.004","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006867","9.075","0.001","11.282","0.002","9.191","0.001","90","","108.37","","90","","893.1","0.2","295","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","(2‒aminoethanesulfonato‒N,O)bis(ethylenediamine)‒Cobalt(III) perchlorate","","- C6 H22 Cl2 Co N5 O11 S -","- C6 H22 Cl2 Co N5 O11 S -","- C12 H44 Cl4 Co2 N10 O22 S2 -","2","1","OA1028","Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa","A Stable Sulfonato‒Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-<i>N</i>,<i>O</i>}(en)~2~](ClO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1761","1762","10.1107/S0108270197010032","","","0.71073","MoKα","","","0.029","","","0.028","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006868","11.8479","0.0001","9.4494","0.0002","17.8596","0.0003","90","","108.384","0.001","90","","1897.44","0.05","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N O6 P -","- C18 H20 N O6 P -","- C72 H80 N4 O24 P4 -","4","1","PT1044","Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D.","Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate","Acta Crystallographica Section C","1997","53","12","1947","1949","10.1107/S0108270197010408","","","0.71073","MoKα","","0.084","0.0554","","0.1286","0.1121","","","","1.147","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006869","6.041","0.0001","9.9354","0.0001","18.3966","0.0003","90","","91.197","0.001","90","","1103.92","0.03","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C50 H44 N4 O8 -","2","1","QA0016","Bolte, Michael","1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline","Acta Crystallographica Section C","1997","53","12","IUC9700027","","10.1107/S0108270197099290","","","0.71073","MoKα","","0.0542","0.0442","","0.1092","0.1039","","","","1.115","1.148","1.148","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006870","5.9054","0.0008","9.2686","0.0007","15.946","0.002","90","","97.138","0.006","90","","866.04","0.17","143","","143","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","QA0017","Bolte, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K","Acta Crystallographica Section C","1997","53","12","IUC9700028","","10.1107/S0108270197099289","","","0.71073","MoKα","","0.0369","0.0362","","0.0975","0.097","","","","1.052","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006871","11.1376","0.0004","11.3443","0.0004","13.2368","0.0004","90","","109.884","0.001","90","","1572.74","0.09","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","S~S~-N(1S),2S,3R,4R,5R-N-[(1-Hydroxymethyl)-2-(methylpropyl)]-3- hydroxy-4-methyl-5-(4-methylphenylsulfonimidoylmethyl)-1-(4- methylphenylsulfonyl)-2-(phenylmethyl)-pyrrolidine","","- C32 H42 N2 O5 S2 -","- C32 H42 N2 O5 S2 -","- C64 H84 N4 O10 S4 -","2","1","QA0019","Bolte, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,S<i>S</i>)-2-Benzyl-3-hydroxy-5-{<i>N</i>-[(<i>S</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K","Acta Crystallographica Section C","1997","53","12","IUC9700029","","10.1107/S0108270197099277","","","0.71073","MoKα","","0.0652","0.0437","","0.095","0.0849","","","","1.055","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006872","18.088","0.004","11.17","0.002","12.895","0.002","90","","119.93","0.01","90","","2257.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Bromomethyl-7,8-benzocoumarin","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C112 H72 Br8 O16 -","8","1","QA0024","Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Kamaraj Sriraghavan; Vaylakkavoor T. Ramakrishnan","4-Bromomethyl-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","IUC9700030","","10.1107/S0108270197099265","","","0.71073","MoKα","","0.0844","0.0456","","0.1284","0.1171","","","","0.904","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006873","8.387","0.001","10.78","0.001","7.206","0.001","103.4","0.01","109.24","0.01","79.12","0.01","593.88","0.13","298","","","","","","","","","","","3","P -1","-P 1","2","","Bis(2-methylbenzylcyanide) Tetracyanobenzene","","- C28 H20 N6 -","- C28 H20 N6 -","- C28 H20 N6 -","1","0.5","QA0026","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu; Nakabayashi, Hironari","Bis(2-methylbenzyl cyanide) Tetracyanobenzene","Acta Crystallographica Section C","1997","53","12","IUC9700031","","10.1107/S0108270197099253","","","0.71073","MoKα","","","0.057","","","0.063","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006874","6.814","0.001","9.497","0.002","16.374","0.002","90","","90","","90","","1059.6","0.3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium bis(malonato)cuprate(II) dihydrate","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","QB0022","Barnes, John C.; Weakley, Timothy J.R.","Disodium Bis(malonato)cuprate(II) Dihydrate","Acta Crystallographica Section C","1997","53","12","IUC9700026","","10.1107/S0108270197099307","","","0.71073","MoKα","","0.0747","0.0476","","","","0.1425","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006875","10.799","0.0016","12.6741","0.0012","16.3797","0.0013","90","","91.303","0.01","90","","2241.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","2","QB0027","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","Acta Crystallographica Section C","1997","53","12","IUC9700032","","10.1107/S0108270197099241","","","0.71073","MoKα","","0.1345","0.0453","","0.1264","0.1007","","","","0.818","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006876","9.3718","0.0014","17.085","0.003","14.351","0.002","90","","95.121","0.004","90","","2288.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate","","- C15 H32 Cl4 N4 Ni Zn -","- C15 H32 Cl4 N4 Ni Zn -","- C60 H128 Cl16 N16 Ni4 Zn4 -","4","1","SK1009","Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.","A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate","Acta Crystallographica Section C","1997","53","12","1770","1772","10.1107/S0108270197009840","","","0.71073","MoKα","","0.0821","0.0473","","0.1088","0.0918","","","","1.082","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006877","17.659","0.003","8.477","0.002","17.763","0.003","90","","114.1","0.01","90","","2427.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","","- C20 H22 Cl Mn2 O8 P -","- C20 H22 Cl Mn2 O8 P -","- C80 H88 Cl4 Mn8 O32 P4 -","4","0.5","SK1124","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","Acta Crystallographica Section C","1997","53","12","1799","1801","10.1107/S0108270197010354","","","0.71073","MoKα","","0.084","0.048","","0.122","","0.104","","","1.028","","","1.103","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006878","13.3551","0.0019","12.4868","0.0008","14.7273","0.0015","90","","112.604","0.01","90","","2267.3","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'-Benzoylferrocenyl)diphenylmethanol","","- C30 H24 Fe O2 -","- C30 H24 Fe O2 -","- C120 H96 Fe4 O8 -","4","1","SK1147","Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George","(1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding","Acta Crystallographica Section C","1997","53","12","1775","1778","10.1107/S010827019701233X","","","0.7107","MolybdenumKα","","0.1037","0.0401","","","0.0868","0.0969","","","","","","0.97","","","","has coordinates","192302","2020-10-21","18:00:00",""
"2006879","6.2616","0.0008","25.1866","0.0015","11.603","0.0009","90","","90.06","0.008","90","","1829.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Dibenzoylferrocene","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C96 H72 Fe4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.1026","0.0402","","","","0.0876","","","","","","0.996","","","","has coordinates","192301","2020-10-21","18:00:00",""
"2006880","9.6988","0.0011","9.3056","0.0015","14.543","0.002","90","","93.311","0.012","90","","1310.4","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(4-Nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C64 H52 Fe4 N4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.0841","0.0403","","","","0.1015","","","","","","1","","","","has coordinates","192289","2020-10-21","18:00:00",""
"2006881","13.628","0.002","7.618","0.001","5.11","0.001","90","0.01","90","0.01","90","0.01","530.51","0.15","12","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","SX1034","Jan Janczak; Dieter Zobel; Peter Luger","<small>L</small>-Threonine at 12 K","Acta Crystallographica Section C","1997","53","12","1901","1904","10.1107/S0108270197011414","","","0.5609","AgKα_(X-ray_tube)","","0.034","0.026","","0.063","0.03","","","","5.856","2.866","2.866","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006882","10.703","0.002","10.99","0.001","17.584","0.005","90","","90","","90","","2068.3","0.7","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","","0.059","","","","0.1562","","","","","","0.725","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006883","8.342","0.003","5.661","0.003","10.553","0.004","90","","93.23","0.01","90","","497.6","0.4","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,9-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","0.1063","0.0551","","","","0.1389","","","","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006884","13.3179","0.0015","13.1523","0.0013","8.6827","0.0012","90","","100.19","0.01","90","","1496.9","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium Cobalt Aluminium Phosphate","","- Al Co K O8 P2 -","- Al Co K O8 P2 -","- Al8 Co8 K8 O64 P16 -","8","1","TA1136","Chen, Xue-An; Zhao, Ling; Li, Yan; Guo, Fang; Chen, Ben-Ming","Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1754","1756","10.1107/S0108270197009906","","","0.71073","MoKα","","","0.0364","","0.1038","","","","","1.198","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006885","5.294","0.004","8.837","0.004","16.143","0.008","90","","90.6","0.05","90","","755.2","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibariummagnesium Diphosphate","","- Ba8 Mg4 O32 P8 -","- Ba2 Mg O8 P2 -","- Ba8 Mg4 O32 P8 -","4","1","TA1147","F. Lucas; G. Wallez; S. Jaulmes; A. Elfakir; M. Quarton","Dibarium Magnesium Phosphate","Acta Crystallographica Section C","1997","53","12","1741","1743","10.1107/S010827019700841X","","","0.71069","MoKα","","0.033","0.033","","0.038","0.038","","","","1.95","1.95","1.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006886","18.965","0.002","7.522","0.002","8.794","0.001","90","","101.13","0.01","90","","1230.9","0.4","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O10 -","- C23 H30 N2 O10 -","- C46 H60 N4 O20 -","2","1","TA1149","Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu","({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist","Acta Crystallographica Section C","1997","53","12","1887","1889","10.1107/S0108270197009918","","","1.5418","CuKα","","0.0843","0.0662","","0.0886","0.0811","","","","1.307","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006887","16.402","0.002","16.402","0.002","14.573","0.002","90","","90","","120","","3395.3","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Hexasilver Cerium(III) Nonanitrate","","- Ag6 Ce N9 O27 -","- Ag6 Ce N9 O27 -","- Ag36 Ce6 N54 O162 -","6","0.166667","TA1156","Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel","Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~","Acta Crystallographica Section C","1997","53","12","1748","1751","10.1107/S0108270197008688","","","0.71073","MoKα","","0.048","0.0397","","0.115","0.1075","","","","1.006","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006888","6.805","0.001","13.225","0.001","13.902","0.001","90","","90","","90","","1251.1","0.2","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","7-Methoxy-4,4,6-trichloro-2,4,5,6-tetrahydro-3H-3a,5-meth-anoazulene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.057","0.052","","0.125","0.121","","","","1.031","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006889","9.818","0.002","11.191","0.001","11.79","0.001","90","","90","","90","","1295.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aα,6α)-(E)-5-Chloromethylene-8,8-dichloro-6-methoxy-1,2,3,4,5,6-hexahydro- 3a,6-methanO-3aH-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.039","0.037","","1.107","1.107","","","","1.109","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006890","3.8827","0.001","3.8827","0.001","7.546","0.002","90","","90","","90","","113.76","0.05","124","2","124","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","1","0.0625","TA1169","Gainsford, Graeme J.; Tallon, J. L.; Lin, C.T.","YBa(Cu~1.10~Co~0.90~)O~5~, Prepared from YBa~2~Cu~3~O~7~","Acta Crystallographica Section C","1997","53","12","1729","1730","10.1107/S0108270197010743","","","0.7093","MoKα","","0.0289","0.028","","0.0641","0.064","","","","1.316","1.339","1.339","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006891","8.715","0.006","10.229","0.005","25.007","0.012","90","","96.17","0.04","90","","2216","2","293","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl Co N4 O7 -","- C19 H26 Cl Co N4 O7 -","- C76 H104 Cl4 Co4 N16 O28 -","4","1","TA1171","Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G.","β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate","Acta Crystallographica Section C","1997","53","12","1757","1759","10.1107/S0108270197010755","","","0.71073","MoKα","","0.071","0.041","","0.129","","0.103","","","1.026","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006892","4.964","0.003","5.19","0.004","24.497","0.003","90","","90.75","0.03","90","","631.1","0.6","296.2","","296.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,12-dodecanediol","","","- C12 H26 O2 -","- C12 H26 O2 -","- C24 H52 O4 -","2","0.5","TA1172","Nakamura, Naotake; Setodoi, Shigetaka","1,12-Dodecanediol","Acta Crystallographica Section C","1997","53","12","1883","1885","10.1107/S0108270197011918","","","0.7107","MoKα","","0.097","0.049","","0.091","0.072","","","","1.606","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006893","8.332","0.001","9.524","0.001","13.539","0.002","90.02","0.01","100.32","0.02","111.33","0.01","982.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I))","","- C14 H14 N4 O8 Ru2 -","- C14 H14 N4 O8 Ru2 -","- C28 H28 N8 O16 Ru4 -","2","1","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.03","0.024","","0.06","0.059","","","","1.035","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006894","9.292","0.001","13.731","0.001","18.639","0.002","90","","90","","90","","2378.1","0.4","293","2","293","2","","","","","","","","5","B b 21 m","B -2 -2b","36","","Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I))","","- C18 H22 N4 O8 Ru2 -","- C18 H22 N4 O8 Ru2 -","- C72 H88 N16 O32 Ru8 -","4","0.5","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.054","0.05","","0.169","0.168","","","","1.199","1.242","1.242","","","","","has coordinates","191018","2020-10-21","18:00:00",""
"2006895","8.665","0.003","16.681","0.002","13.673","0.004","90","","98.49","0.03","90","","1954.7","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate","","- C11 H27 Cl2 N5 Ni O8 -","- C11 H27 Cl2 N5 Ni O8 -","- C44 H108 Cl8 N20 Ni4 O32 -","4","2","TA1177","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","(1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1778","1780","10.1107/S0108270197011141","","","0.7093","MoKα","","0.088","0.066","","0.157","0.142","","","","0.848","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006896","6.6161","0.0013","9.633","0.002","12.692","0.003","98.27","0.02","104.84","0.02","106.74","0.02","727.8","0.3","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br3 O3 -","- C13 H13 Br3 O3 -","- C26 H26 Br6 O6 -","2","1","TA1187","Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John","<i>endo</i>-1,4,4-Tribromo-3-methyltricyclo[5.2.1.0^2,6^]dec-8-ene-5,10-dione 10-Ethylene Acetal","Acta Crystallographica Section C","1997","53","12","1916","1917","10.1107/S0108270197012286","","","0.71073","MoKα","","0.0684","0.0447","","0.1188","0.1052","","","","1.055","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006897","13.716","0.001","14.969","0.003","15.925","0.001","90","","90","","90","","3269.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate","","- C10 H24 Cl2 N4 O4 Zn -","- C10 H24 Cl2 N4 O4 Zn -","- C80 H192 Cl16 N32 O32 Zn8 -","8","1","VJ1073","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1780","1782","10.1107/S010827019701192X","","","0.7107","MoKα","","0.09","0.054","","0.143","0.137","","","","0.936","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006898","21.4236","0.0009","21.4236","0.0009","25.757","0.003","90","","90","","90","","11821.7","1.5","170","2","170","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","(μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-terbium(III)-titanium (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-erbium(III)-titanium","","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C336 H784 Er3.2 O120 Tb28.8 Ti8 -","8","0.5","AB1489","Marat Moustiakimov; Mikael Kritikos; Gunnar Westin","(Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide","Acta Crystallographica Section C","1998","54","1","29","31","10.1107/S0108270197010664","","","0.71073","MoKα","","0.0393","0.0238","","0.0632","0.0597","","","","0.997","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006899","13.1891","0.0009","10.5406","0.0008","8.0819","0.0008","90","","90","","90","","1123.55","0.16","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","8,8'-bis(dimethylsulphido)-commo-3,3'-ferra- bis(3,1,2-closo-ferradicarbadodecaborane(10))","","- C8 H32 B18 Fe S2 -","- C8 H32 B18 Fe S2 -","- C16 H64 B36 Fe2 S4 -","2","0.5","AB1497","Plešek, Jaromír; Štíbr, Bohumil; Cooke, Paul A.; Kennedy, John D.; McGrath, Thomas D.; Thornton-Pett, Mark","An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C~2~B~9~H~10~(SMe~2~)}~2~]","Acta Crystallographica Section C","1998","54","1","36","38","10.1107/S0108270197012742","","","0.71073","MoKα","","0.0168","0.0165","","0.0452","0.045","","","","1.127","1.126","1.126","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006900","11.159","0.0012","25.112","0.002","9.663","0.0009","90","","90.641","0.009","90","","2707.6","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(triphenylphosphine)-arachno-6-thiadecaborane(11)","","- C19 H27 B9 Cl3 P S -","- C19 H27 B9 Cl3 P S -","- C76 H108 B36 Cl12 P4 S4 -","4","1","AB1503","Cooke, Paul A.; Holub, Josef; Kennedy, John D.; S̆tíbr, Bohumil; Thornton-Pett, Mark","9-(Triphenylphosphine-<i>P</i>)-<i>arachno</i>-6-thiadecaborane(11) Trichloromethane (1/1)","Acta Crystallographica Section C","1998","54","1","121","123","10.1107/S0108270197012389","","","1.54186","CuKα","","0.0804","0.0547","","0.1456","0.1291","","","","1.006","1.056","1.056","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006901","9.6749","0.0008","14.531","0.002","18.053","0.002","90","","101.462","0.007","90","","2487.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Au B10 Cl P -","- C20 H25 Au B10 Cl P -","- C80 H100 Au4 B40 Cl4 P4 -","4","1","AB1516","McWhannell, M. Anna; Rosair, Georgina M.; Welch, Alan J.","1-[Chloro(diphenylphosphino)gold(I)-<i>P</i>]-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","1","13","15","10.1107/S0108270197013048","","","0.71073","MoKα","","0.0993","0.051","","0.1156","0.096","","","","1.05","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006902","11.8721","0.0007","15.406","0.002","7.1392","0.0005","90","","95.361","0.005","90","","1300.1","0.2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","2-(5-Chloro-2-nitrophenyl)thionicotinoyl Chloride","","- C12 H6 Cl2 N2 O3 S -","- C12 H6 Cl2 N2 O3 S -","- C48 H24 Cl8 N8 O12 S4 -","4","1","BK1348","Garcia, J. Gabriel; Haydar, Simon H.; Krapcho, A. Paul; Liu, Yen-Hsiang; Fronczek, Frank R.","2-(5-Chloro-2-nitrophenylthio)nicotinoyl Chloride","Acta Crystallographica Section C","1998","54","1","146","148","10.1107/S0108270197012870","","","1.54184","CuKα","","","0.047","","","0.061","","","","","1.62","1.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006903","12.616","0.004","5.336","0.002","12.571","0.004","90","","104.67","0.03","90","","818.7","0.5","294","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","0.5","BK1357","Kanno, Hideaki; Omotera, Yasuyoshi; Iijima, Kinya","2,2'-Bipyridine 1,1'-Dioxide","Acta Crystallographica Section C","1998","54","1","149","151","10.1107/S0108270197013814","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.836","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006904","9.2736","0.0002","11.4181","0.0002","20.5184","0.0003","90","","93.696","0.001","90","","2168.11","0.07","153","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(triphenylphosphinegold)-indoline-2,3-dione","","- C26 H19 Au N O2 P -","- C26 H19 Au N O2 P -","- C104 H76 Au4 N4 O8 P4 -","4","1","BM1167","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Grandberg, Kira I.","(2,3-Dioxoindolinyl-<i>N</i>)(triphenylphosphine-<i>P</i>)gold(I)","Acta Crystallographica Section C","1998","54","1","54","56","10.1107/S0108270197013437","","","0.71073","MoKα","","0.049","0.03","","0.07","0.06","","","","1.019","1.067","1.067","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006905","15.9349","0.0006","8.0535","0.0003","18.6618","0.0009","90","","90","","90","","2394.9","0.17","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","BM1189","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","Acta Crystallographica Section C","1998","54","1","123","125","10.1107/S0108270197012894","","","0.71073","MoKα","","0.0693","0.0421","","","","0.1045","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006906","11.48","0.005","8.114","0.003","11.882","0.004","90","","107.68","0.03","90","","1054.5","0.7","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","O-Phospho-L-tyrosine","","- C9 H12 N O6 P -","- C9 H11.5 N O6 P -","- C36 H46 N4 O24 P4 -","4","2","BS1022","Suga, Tamami; Inubushi, Chika; Okabe, Nobuo","<i>O</i>-Phospho-<small>L</small>-tyrosine","Acta Crystallographica Section C","1998","54","1","83","85","10.1107/S0108270197009827","","","0.71069","MoKα","","","0.121","","","0.13","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006907","6.068","0.002","11.118","0.003","24.925","0.005","90","","90","","90","","1681.5","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","\3a,\4b-Dihydroxy-5α-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","BS1035","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Costa, M. M. R. R.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4β-Dihydroxy-5α-androstan-17-one","Acta Crystallographica Section C","1998","54","1","89","91","10.1107/S0108270197009505","","","0.7093","MoKα","","0.064","0.034","","0.089","0.078","","","","1.056","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006908","7.4828","0.0008","12.126","0.001","14.179","0.002","90","","90","","90","","1286.6","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","CF1177","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. II","Acta Crystallographica Section C","1998","54","1","96","97","10.1107/S0108270197011426","","","0.71073","MoKα","","0.0988","0.041","","0.119","","0.0857","","","1.13","","","1.078","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006909","10.21","0.007","29.279","0.003","9.314","0.004","90","","90","","90","","2784","2","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C136 H136 O16 -","4","1","DE1056","Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka","(<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane","Acta Crystallographica Section C","1998","54","1","111","112","10.1107/S010827019700992X","","","0.7107","MoKα","","0.0671","0.0671","","0.1049","0.1049","","","","1.109","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006910","13.21","0.003","9.801","0.003","13.968","0.003","90","","91.728","0.012","90","","1807.6","0.8","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4H,9H-4,9-dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8- heptahydroimidazo[1,2,3,-i,j][1,8]naphthyridinium benzoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","DE1059","Zhang, Jian-Heng; Chen, Xue-An; Li, Yan; Huang, Zhi-Tang","4,9-Dihydroxy-4,9-dimethyl-4<i>H</i>,9<i>H</i>-1,2,5,6,6a,7,8-heptahydroimidazo[1,2,3-<i>i</i>,<i>j</i>][1,8]naphthyridinium Benzoate","Acta Crystallographica Section C","1998","54","1","140","142","10.1107/S0108270197009529","","","0.71073","MoKα","","","0.0441","","0.111","","","","","0.919","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006911","10.506","0.001","14.39","0.001","6.471","0.001","90","","105.79","0.01","90","","941.38","0.19","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Structure of Synthetic Heptacobalt Tetrasodium Monophosphate Na~4~Co~7~(PO~4~)~6~","","- Co7 Na4 O24 P6 -","- Co7 Na4 O24 P6 -","- Co14 Na8 O48 P12 -","2","0.5","DU1180","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~","Acta Crystallographica Section C","1998","54","1","7","9","10.1107/S010827019701189X","","","0.71069","MoKα","","","0.038","","","","0.033","","","","","","1.284","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006912","8.3","0.002","14.813","0.005","27.654","0.006","90","","90","","90","","3400","1.6","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","chasmanthinine","","","- C36 H49 N O9 -","- C36 H49 N O9 -","- C144 H196 N4 O36 -","4","1","FG1328","Parvez, Masood; Gul, Waseem; Anwar, Saeed","Chasmanthinine","Acta Crystallographica Section C","1998","54","1","125","126","10.1107/S0108270197013449","","","1.54178","CuKα","","0.0605","0.0511","","0.1513","0.1262","","","","1.078","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006913","8.022","0.004","38.685","0.004","5.847","0.003","90","","90","","90","","1814.5","1.3","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.03","","","","0.0845","","","","","","1.71","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006914","9.506","0.001","17.643","0.002","11.96","0.001","90","","91.65","0.01","90","","2005","0.4","294","","294","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 Br N O S -","- C22 H18 Br N O S -","- C88 H72 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.0439","","","","0.1298","","","","","","3.63","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006915","38.032","0.003","7.373","0.004","7.725","0.004","90","","90","","90","","2166.2","1.6","294","","294","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O S -","- C24 H22 Br N O S -","- C96 H88 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.0331","","","","0.0824","","","","","","1.18","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006916","26.345","0.006","24.531","0.007","6.073","0.01","90","","90","","90","","3925","7","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C184 H168 N8 O16 S8 -","8","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.046","","","","0.122","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006917","10.338","0.003","18.947","0.001","8.548","0.001","90","","90","","90","","1674.3","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O S -","- C20 H15 N O S -","- C80 H60 N4 O4 S4 -","4","1","FG1356","Fu, Tai Y.; Scheffer, John R.; Trotter, James","<i>N</i>-Phenyl-<i>N</i>-(phenylthioxomethyl)benzamide","Acta Crystallographica Section C","1998","54","1","101","102","10.1107/S0108270197011244","","","1.5418","CuKα","","","0.042","","","","0.14","","","","","","2.73","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006918","11.6819","0.0014","15.2304","0.0016","16.349","0.002","90","","107.548","0.01","90","","2773.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-μ-[methylenebis(diphenylphosphine)]disilver(I) Bisperchlorate Bis(dichloromethane) Solvate","","- C52 H48 Ag2 Cl6 O8 P4 -","- C52 H48 Ag2 Cl6 O8 P4 -","- C104 H96 Ag4 Cl12 O16 P8 -","2","0.5","FG1371","Ahrens, Birte; Jones, Peter G.","Bis[μ-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I) Diperchlorate Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1998","54","1","16","18","10.1107/S0108270197011657","","","0.71073","MoKα","","0.0678","0.0358","","0.073","0.0671","","","","0.863","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006919","23.882","0.004","8.3285","0.0012","20.338","0.003","90","","90","","90","","4045.3","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG1379","Jones, Peter G.; Crespo, Olga","Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","18","20","10.1107/S0108270197013322","","","0.71073","MoKα","","0.0745","0.0437","","0.0907","0.0834","","","","0.931","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006920","15.865","0.004","11.886","0.006","20.252","0.004","90","","112.438","0.014","90","","3530","2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(o-tert-butylphenyl)-9-fluorenol","","- C23 H22 O -","- C23 H22 O -","- C184 H176 O8 -","8","2","FG1380","Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.","Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State","Acta Crystallographica Section C","1998","54","1","73","77","10.1107/S0108270197012638","","","0.71069","MoKα","","0.1362","0.0424","","0.149","","0.1074","","","1.012","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006921","10.7211","0.0011","15.186","0.002","10.4816","0.0008","90","","90","","90","","1706.5","0.3","296","","296","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","sp-9-(o-tert-butylphenyl)fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","FG1380","Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.","Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State","Acta Crystallographica Section C","1998","54","1","73","77","10.1107/S0108270197012638","","","0.71069","MoKα","","0.1041","0.038","","0.1225","","0.096","","","1.003","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006922","10.7794","0.001","7.8301","0.0008","11.8317","0.0012","90","","97.505","0.008","90","","990.09","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Amino-1-phenylsulfonyl-pyrazolin-3-one","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","2","FG1382","Elgemeie, Galal E.H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.","5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one","Acta Crystallographica Section C","1998","54","1","136","138","10.1107/S0108270197012420","","","0.71073","MoKα","","0.0417","0.0328","","0.0839","0.081","","","","1.04","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006923","4.71","0.001","14.5119","0.0015","12.212","0.0008","90","","100.151","0.01","90","","821.6","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 B N2 O -","- C8 H9 B N2 O -","- C32 H36 B4 N8 O4 -","4","1","FG1385","Robinson, Paul D.; Groziak, Michael P.; Chen, Liya","A 2-Alkyl Substituted 2,3,1-Benzodiazaborine","Acta Crystallographica Section C","1998","54","1","71","73","10.1107/S0108270197012432","","","0.71069","MoKα","","0.0911","0.0343","","0.1031","","0.0819","","","1.006","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006924","6.2591","0.0013","14.616","0.003","14.054","0.003","90","","96.71","0.03","90","","1276.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicholoro-bis(1,3-imidazolidine-2-thione)cadmium(II)","","- C6 H12 Cd Cl2 N4 S2 -","- C6 H12 Cd Cl2 N4 S2 -","- C24 H48 Cd4 Cl8 N16 S8 -","4","1","FR1043","Al-Arfaj, A. R.; Reibenspies, J. H.; Isab, A. A.; Hussain, M. Sakhawat","Dichlorobis(1,3-imidazolidine-2-thione-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1998","54","1","51","53","10.1107/S0108270197012092","","","0.71073","MoKα","","0.0568","0.0417","","0.1073","0.097","","","","1.051","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006925","9.538","0.002","9.603","0.002","9.769","0.002","82.46","0.03","64","0.03","61.59","0.03","704","0.4","293","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(1-methylimidazole-2yl-methyl)-1,3-diaminopropan-2-ol","","- C13 H18 N6 O -","- C13 H18 N6 O -","- C26 H36 N12 O2 -","2","1","FR1056","Vencato, Ivo; Neves, Ademir; Scarpellini, Marciela; Correia, Valdir R.","<i>N</i>,<i>N</i>'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL","Acta Crystallographica Section C","1998","54","1","97","99","10.1107/S0108270197010202","","","0.71073","MoKα","","0.0573","0.0409","","0.1909","0.1059","","","","1.093","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006926","7.126","0.001","8.795","0.001","15.082","0.001","73.41","0.01","85.82","0.01","76.78","0.01","881.85","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl2 Hg N2 S2 -","- C12 H22 Cl2 Hg N2 S2 -","- C24 H44 Cl4 Hg2 N4 S4 -","2","1","FR1061","Nuñez Gaytán, María Elena; Bernès, Sylvain; Rodríguez de San Miguel Guerrero, Eduardo; Bernal U., Juan Pablo; De Gyves, Josefina","First Hg^II^‒ω-Thiocaprolactam Complex","Acta Crystallographica Section C","1998","54","1","49","51","10.1107/S0108270197012444","","","0.71073","MoKα","","0.056","0.038","","0.087","0.08","","","","1.03","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006927","9.279","0.001","17.633","0.002","15.505","0.001","90","","106.35","0.01","90","","2434.3","0.4","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 Co N6 O4 -","- C22 H29 Co N6 O4 -","- C88 H116 Co4 N24 O16 -","4","2","FR1066","Gage, Jennifer L.; Weakley, Timothy J.R.; Branchaud, Bruce P.","Bis[2,3-butanedione dioximato(1‒)-<i>N</i>,<i>N</i>'](pyridine){[(<i>R</i>)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III)","Acta Crystallographica Section C","1998","54","1","22","24","10.1107/S0108270197012663","","","0.71073","MolybdenumKα","","0.06","0.039","","","","0.082","","","","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006928","12.602","0.002","13.0428","0.001","19.074","0.003","90","","94.289","0.007","90","","3126.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-Pentamethylcyclopentadienyl)chromium(III) (η^5^- Pentamethylcyclopentadienyl)trichlorochromium(III)","","- C30 H45 Cl3 Cr2 -","- C30 H45 Cl3 Cr2 -","- C120 H180 Cl12 Cr8 -","4","1","FR1067","Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P.","Structure of the Chromium(III) Salt [Cp^*^~2~Cr]^+^[Cp^*^CrCl~3~]^{-^}","Acta Crystallographica Section C","1998","54","1","47","49","10.1107/S0108270197011256","","","0.71073","MoKα","","0.0738","0.0528","","0.1467","0.129","","","","1.153","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006929","11.1567","0.0005","25.439","0.002","11.7631","0.0006","90","","90","","90","","3338.5","0.3","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","Cobalt(3,5-di-t-butylsaltmen)","Bis[N,N,N',N'-tetramethyl-1,2-diaminoethane-1,2-bis(3,5-di-t-butyl- salicylideneiminato)]cobalt(II)","","- C36 H54 Co N2 O2 -","- C36 H51 Co N2 O2 -","- C144 H204 Co4 N8 O8 -","4","0.5","FR1070","Lyon, David K.; Miller, Brian E.; Miller, Warren K.; Tyler, David R.; Weakley, Timothy J. R.","[<i>N</i>,<i>N</i>'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-<i>tert</i>-butylsalicylideneiminato)]cobalt(II)","Acta Crystallographica Section C","1998","54","1","20","22","10.1107/S010827019701264X","","","0.71073","MoKα","","","0.04","","","0.045","","","","","2.33","2.33","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006930","13.979","0.002","12.608","0.007","8.024","0.002","90","","90","","90","","1414.2","0.9","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 O2 -","- C20 H12 O2 -","- C80 H48 O8 -","4","0.5","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.058","","","","0.177","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006931","12.274","0.003","7.957","0.003","15.444","0.003","90","","90","","90","","1508.3","0.7","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 O3 -","- C20 H12 O3 -","- C80 H48 O12 -","4","1","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.037","","","","0.103","","","","","","1.078","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006932","28.019","0.005","5.432","0.001","8.055","0.005","90","","95.37","0.06","90","","1220.6","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis(4-butoxyphenyl)terephthalate","","- C28 H30 O6 -","- C28 H30 O6 -","- C56 H60 O12 -","2","0.5","HA1195","Centore, Roberto; Tuzi, Angela","Bis(4-butoxyphenyl) Terephthalate","Acta Crystallographica Section C","1998","54","1","107","109","10.1107/S0108270197010640","","","1.54178","CuKα","","0.065","0.046","","","0.068","","","","","1.895","1.895","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2006933","8.545","0.001","9.643","0.001","10.807","0.001","88.8","0.01","67.61","0.01","82.98","0.01","816.87","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-3- Benzylidene Isoindolin-1- one","N-Benzyl-3- Benzylidene Isoindolin-1- one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","HA1197","M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu","<i>N</i>-Benzyl-3-benzylideneisoindolin-1-one","Acta Crystallographica Section C","1998","54","1","119","120","10.1107/S0108270197011979","","","1.5418","CuKα","","0.0463","0.0438","","0.1206","0.1184","","","","1.112","1.137","1.137","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006934","11.356","0.002","13.243","0.002","20.002","0.003","90","","90","","90","","3008.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 3,7-Hypoxanthyldiacetate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C104 H128 N32 O40 -","8","1","JZ1236","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","Diethyl 3,7-Hypoxanthyldiacetate","Acta Crystallographica Section C","1998","54","1","114","116","10.1107/S0108270197011906","","","1.54178","CuKα","","0.049","0.042","","0.125","0.118","","","","1.057","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006935","9.291","0.005","11.773","0.005","13.079","0.009","108.1","0.05","92.96","0.05","96.01","0.04","1347","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquadicyanonitrosomethanidobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide","","- C30 H18 Cu N10 O3 -","- C30 H18 Cu N10 O3 -","- C60 H36 Cu2 N20 O6 -","2","1","KA1234","Mikloš, Dušan; Potočňák, Ivan; Dunaj-Jurčo, Michal; Jäger, Lothar","Aqua(dicyanonitrosomethanido-<i>O</i>)bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Dicyanonitrosomethanide","Acta Crystallographica Section C","1998","54","1","33","36","10.1107/S0108270197010251","","","0.71073","MoKα","","0.148","0.04","","0.099","0.084","","","","0.784","1.07","1.07","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2006936","6.574","0.002","13.798","0.002","14.838","0.003","90","","90","","90","","1345.9","0.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","KA1241","Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid","1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone","Acta Crystallographica Section C","1998","54","1","128","130","10.1107/S0108270197008858","","","0.71093","MoKα","","0.132","0.049","","0.18","0.14","","","","1.101","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006937","13.5174","0.0014","13.919","0.0013","17.0708","0.0015","90","","90","","90","","3211.8","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate","4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate","","- C16 H18 B F4 N O2 -","- C16 H18 B F4 N O2 -","- C128 H144 B8 F32 N8 O16 -","8","1","KA1254","De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","138","140","10.1107/S0108270197012559","","","0.71073","MoKα","","0.071","0.038","","0.103","0.094","","","","0.891","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006938","6.451","0.002","13.307","0.002","8.885","0.002","90","","95.1","0.04","90","","759.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-[bis(N-methylpiperazine)dichloroplatinum(II)]","","- C10 H24 Cl2 N4 Pt -","- C10 H24 Cl2 N4 Pt -","- C20 H48 Cl4 N8 Pt2 -","2","0.5","LN1009","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Platinum(II) Complexes of Piperazine (and Derivatives): <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II)","Acta Crystallographica Section C","1998","54","1","27","29","10.1107/S0108270197012353","","","0.7107","MoKα","","0.0441","0.0242","","0.0706","0.0635","","","","1.018","1.104","1.104","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006939","11.845","0.001","14.149","0.001","14.766","0.001","90.206","0.007","108.131","0.005","91.112","0.005","2351.3","0.3","193.2","","193.2","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F10 N O3 P -","- C21 H18 F10 N O3 P -","- C84 H72 F40 N4 O12 P4 -","4","2","LN1014","Charles F. Campana; Katherine W. Oliver; Steven J. Rettig; Robert C. Thompson; James Trotter; Shihua Xia","2,2,6,6-Tetramethyl-4-oxopiperidinium Bis(pentafluorophenyl)phosphinate","Acta Crystallographica Section C","1998","54","1","99","101","10.1107/S0108270197011281","","","0.71073","MoKα","","","0.06","","","","0.112","","","","","","2.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006940","10.747","0.002","27.457","0.004","17.837","0.003","90","","90","","90","","5263.3","1.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-chloro-bis[ethylene-bis(diethylphosphine)]hydrido-iron(II)","","- C20 H49 Cl Fe P4 -","- C20 H49 Cl Fe P4 -","- C160 H392 Cl8 Fe8 P32 -","8","1","LN1021","Wiesler, Beatrix; Tuczek, Felix; Näther, Christian; Bensch, Wolfgang","[FeHCl(C~10~H~24~P~2~)~2~]","Acta Crystallographica Section C","1998","54","1","44","46","10.1107/S0108270197012754","","","0.71073","MoKα","","0.0823","0.0474","","0.1568","0.126","","","","1.073","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006941","8.994","0.003","16.534","0.004","9.428","0.002","90","","118.11","0.03","90","","1236.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LN1023","Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè","3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one","Acta Crystallographica Section C","1998","54","1","79","81","10.1107/S0108270197012365","","","0.71069","MoKα","","0.104","0.066","","0.312","0.197","","","","0.985","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006942","10.232","0.003","10.685","0.006","13.321","0.003","102.06","0.03","103.11","0.02","108.08","0.03","1285.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ismine","6-[2-(Methylamino)phenyl]-1,3-benzodioxole-5-methanol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","LN1026","Viladomat, Francesc; Codina, Carles; Bastida, Jaume; Solans, Xavier; Font-Bardia, Mercè","Ismine","Acta Crystallographica Section C","1998","54","1","81","82","10.1107/S0108270197012122","","","0.71069","MoKα","","0.0536","0.0472","","0.14","0.1376","","","","0.986","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006943","7.983","0.002","10.908","0.001","9.264","0.001","90","","114.51","0.01","90","","734","0.2","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","LN1034","Avery, Tom D.; Taylor, Dennis K.; Tiekink, Edward R.T.","3,3''-Dimethyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","1998","54","1","148","149","10.1107/S0108270197012900","","","1.5418","CuKα","","","0.053","","","0.068","","","","","2.828","2.828","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006944","6.358","0.005","10.463","0.005","12.842","0.005","90","","94.57","0.05","90","","851.6","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C32 H52 N4 O6 -","2","1","NA1318","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana","Chiral Hydroxylamines. V. (2<i>S</i>,3<i>S</i>)-<i>N</i>-Benzyl-<i>N</i>-[3-(<i>tert</i>-butoxycarbonylamino)-2-butyl]hydroxylamine","Acta Crystallographica Section C","1998","54","1","85","86","10.1107/S0108270197013267","","","0.71069","MoKα","","0.073","0.0505","","0.1481","0.1292","","","","1.025","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006945","11.019","0.002","6.844","0.002","21.424","0.003","90","","93.8","0.01","90","","1612.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[bis(nicotinamide-N^1^)diaquacopper(II)-μ-sulfato-O:O']","","- C12 H16 Cu N4 O8 S -","- C12 H16 Cu N4 O8 S -","- C48 H64 Cu4 N16 O32 S4 -","4","1","NA1322","Kozlevčar, Bojan; Leban, Ivan; Sieler, Joachim; Šegedin, Primož","<i>catena</i>-Poly[diaquabis(nicotinamide-<i>N</i>^1^)copper(II)-μ-sulfato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","1","39","41","10.1107/S0108270197012547","","","0.71073","MoKα","","0.0772","0.0471","","","","0.1428","","","","","","1.012","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006946","9.221","0.004","9.221","0.004","14.006","0.006","90","","90","","120","","1031.3","0.8","293","","293","","","","","","","","","3","P 32","P 32","145","8α-Hydroxy-11α,13-dihydrozaluzanin C","Decahydro-4,8-dihydroxy-3-methyl-6,9- bis(methylene)-azuleno[4,5-b]furan-2(3H)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C45 H60 O12 -","3","1","NA1327","Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao","8α-Hydroxy-11α,13-dihydrozaluzanin C","Acta Crystallographica Section C","1998","54","1","113","114","10.1107/S0108270197012924","","","0.71069","MoKα","","0.0855","0.0445","","0.1466","","0.1211","","","0.92","","","0.926","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006947","3.733","0.003","8.009","0.002","11.508","0.002","90","","92.46","0.03","90","","343.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C8 H20 N4 O8 -","2","0.5","OA1034","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion","Acta Crystallographica Section C","1998","54","1","142","145","10.1107/S0108270197013796","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006948","7.236","0.002","6.275","0.002","15.46","0.002","90","","99.55","0.01","90","","692.2","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","0.5","OA1034","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion","Acta Crystallographica Section C","1998","54","1","142","145","10.1107/S0108270197013796","","","0.71073","MoKα","","","0.055","","","0.045","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006949","20.913","0.007","10.868","0.008","12.03","0.01","90","","100.45","0.04","90","","2689","3","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4,6-dibromo-o-tolyl)-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinoline- 2,4(3H,10H)-dione","","- C29 H27 Br2 N3 O3 -","- C29 H27 Br2 N3 O3 -","- C116 H108 Br8 N12 O12 -","4","2","OA1036","Yasushi Kawai; Jun Kunitomo; Atsuyoshi Ohno","First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative","Acta Crystallographica Section C","1998","54","1","77","79","10.1107/S0108270197013838","","","0.71069","MoKα","","0.052","0.034","","0.066","0.052","","","","0.828","0.862","0.862","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006950","8.142","0.001","13.393","0.001","14.822","0.001","90","","100.88","0.07","90","","1587.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Trimethyl isocyanurate","1,3,5-Trimethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.074","0.053","","0.163","0.152","","","","1.088","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006951","7.835","0.002","8.144","0.001","16.82","0.005","90","","90","","90","","1073.3","0.4","293","2","121","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Triethyl isocyanurate","1,3,5-Triethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","1","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.044","0.038","","0.107","0.096","","","","1.074","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006952","8.1249","0.0015","10.9","0.002","10.132","0.002","90","","107.57","0.02","90","","855.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Azidobenzenesulfonyl chloride","","- C6 H4 Cl N3 O2 S -","- C6 H4 Cl N3 O2 S -","- C24 H16 Cl4 N12 O8 S4 -","4","1","QA0025","Ziemer, Burkhard; Sauer, Erika","4-Azidobenzenesulfonyl Chloride","Acta Crystallographica Section C","1998","54","1","IUC9700034","","10.1107/S0108270198099879","","","0.71071","MoKα","","0.0362","0.0319","","0.1352","0.0918","","","","1.102","1.142","1.142","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006953","7.453","0.001","13.789","0.001","20.497","0.002","90","","90","","90","","2106.5","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Fe2 O4 -","- C24 H18 Fe2 O4 -","- C96 H72 Fe8 O16 -","4","1","QA0027","Kempmann, Christoph; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(3a<i>S</i>,4<i>S</i>)-(+)-[μ-1(<i>O</i>,4,5,α-η):2(1,2,3,3a,7a-η)-5-benzylidene-6,7-dihydro-4(5<i>H</i>)-indenone]tricarbonyl-1κ^3^<i>C</i>-[2(η^5^)-cyclopentadienyl]diiron","Acta Crystallographica Section C","1998","54","1","IUC9700033","","10.1107/S0108270198099880","","","0.71069","MoKα","","0.044","0.0297","","0.0734","0.0675","","","","1.041","1.062","1.062","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006954","8.06","0.002","5.9206","0.0009","22.638","0.006","90","","91.99","0.03","90","","1079.6","0.4","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ortho bis(selenocyanatato)xylene","αα'-diselenocyanatorthoxylene","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","SK1107","McWhinnie, Sean L.W.; Brooks, Adam B.; Abrahams, Isaac","αα'-Diselenocyanato-<i>ortho</i>-xylene","Acta Crystallographica Section C","1998","54","1","126","128","10.1107/S0108270197012262","","","0.71069","MoKα","","0.0575","0.0428","","0.1327","0.1279","","","","0.986","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006955","4.488","0.0011","11.4945","0.0013","16.6699","0.0015","90","","92.868","0.003","90","","858.9","0.2","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","SK1113","Ülkü, Din ̧cer; Tahir, M. Nawaz; Demir, Ayhan S.; Aksoy-Çam, Hilal","Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate","Acta Crystallographica Section C","1998","54","1","94","95","10.1107/S0108270197009852","","","0.71069","MoKα","","","0.061","","","0.063","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006956","12.504","0.003","5.575","0.001","14.45","0.002","90","","102.3","0.01","90","","984.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N6 O2 S2 -","- C18 H20 Cu N6 O2 S2 -","- C36 H40 Cu2 N12 O4 S4 -","2","0.5","SK1119","Duan, Chun-ying; You, Xiao-Zeng; T.C.W. Mak","Bis(4-methoxybenzaldehyde thiosemicarbazonato-<i>S</i>,<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","1998","54","1","31","33","10.1107/S0108270197012298","","","0.71073","MoKα","","0.0593","0.0389","","0.1321","0.1196","","","","1.068","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006957","10.13","0.001","31.398","0.002","10.7388","0.0009","90","","90.852","0.007","90","","3415.2","0.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","(Z)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydro- isobenzofuran","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","2","SK1131","Thalji, Reema K.; Ramos, Bethzaida; Garcia, J. Gabriel; Fronczek, Frank R.","(<i>Z</i>)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydroisobenzofuran","Acta Crystallographica Section C","1998","54","1","109","111","10.1107/S0108270197012304","","","1.54184","CuKα","","","0.051","","","0.044","","","","","1.512","1.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006958","7.433","0.003","12.128","0.005","17.826","0.004","90","","90","","90","","1607","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","SK1137","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione","Acta Crystallographica Section C","1998","54","1","92","93","10.1107/S0108270197012316","","","0.71073","MoKα","","0.064","0.032","","0.078","","0.078","","","1.043","","","1.043","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006959","6.4806","0.0012","13.8928","0.0015","10.9886","0.0009","90","","92.738","0.01","90","","988.2","0.2","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-bis(2,2'-dipyrromethyl)benzene","1,4-bis(2,2'-dipyrromethyl)benzene","","- C24 H22 N4 -","- C24 H22 N4 -","- C48 H44 N8 -","2","0.5","SK1144","Bennis, Vanessa; Gallagher, John F.","N—Hπ(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene","Acta Crystallographica Section C","1998","54","1","130","132","10.1107/S0108270197012328","","","0.71073","MoKα","","0.218","0.058","","0.104","","0.104","","","0.829","","","0.829","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006960","9.8982","0.0001","20.4966","0.0002","9.7322","0.0001","90","","112.472","0.001","90","","1824.54","0.03","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-2,4,6-triphenylpyridine","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","SK1146","Bolte, Michael","3-Methoxy-2,4,6-triphenylpyridine at 173K","Acta Crystallographica Section C","1998","54","1","132","134","10.1107/S0108270197012778","","","0.71073","MoKα","","0.0331","0.0321","","0.0855","0.0841","","","","1.048","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006961","9.022","0.003","11.615","0.004","14.787","0.006","90","","99.44","0.04","90","","1528.6","1","295","1","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N O3 -","- C16 H16 Br N O3 -","- C64 H64 Br4 N4 O12 -","4","1","SX1023","Rivera-Gandia, Joel; Morales, Neftali; Cox, Osvaldo; Huang, Songping D.","<i>N</i>-(<i>o</i>-Tolyl)-2-bromo-4,5-dimethoxybenzamide","Acta Crystallographica Section C","1998","54","1","69","71","10.1107/S0108270197011839","","","0.7107","MoKα","","","0.069","","","0.072","","","","","2.425","2.425","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006962","10.557","0.004","14.518","0.005","11.094","0.003","90","","104.51","0.02","90","","1646.1","1","295","1","295.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br2 Cl N2 O2 S -","- C15 H9 Br2 Cl N2 O2 S -","- C60 H36 Br8 Cl4 N8 O8 S4 -","4","1","SX1024","Alarcòn, Riquelio; Cox, Osvaldo; Rivera, Luis A.; Huang, Songping D.","<i>erythro</i>-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane","Acta Crystallographica Section C","1998","54","1","68","69","10.1107/S0108270197011840","","","0.7107","MoKα","","","0.053","","","0.061","","","","","1.905","1.905","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006963","9.032","0.003","9.897","0.002","16.231","0.003","90","","90","","90","","1450.9","0.6","295","1","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","SX1025","Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D.","Methoxyamericanolide B","Acta Crystallographica Section C","1998","54","1","66","68","10.1107/S0108270197011852","","","0.7107","MoKα","","","0.0504","","","0.0632","","","","","1.783","1.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006964","8.115","0.001","8.271","0.001","10.035","0.002","76.28","0.01","79.13","0.01","61.79","0.01","574.3","0.16","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C20 H28 N4 O4 S2 -","2","1","SX1030","Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.","Conformational Polymorphs of Acetone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","57","60","10.1107/S0108270197011669","","","1.5418","CuKα","","","0.04","","","0.062","","","","","3.166","3.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006965","9.7369","0.0008","8.0691","0.0008","14.776","0.001","90","","96.037","0.007","90","","1154.48","0.17","173","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C40 H56 N8 O8 S4 -","4","1","SX1030","Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.","Conformational Polymorphs of Acetone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","57","60","10.1107/S0108270197011669","","","1.5418","CuKα","","","0.043","","","0.062","","","","","2.835","2.835","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006966","8.544","0.002","9.308","0.001","16.603","0.002","90","","98.21","0.01","90","","1306.9","0.4","173","2","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","SX1031","Charles R. Ojala; William H. Ojala; William B. Gleason","By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide","Acta Crystallographica Section C","1998","54","1","60","63","10.1107/S0108270197011670","","","1.5418","CuKα","","","0.052","","","0.073","","","","","1.62","1.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006967","15.785","0.001","10.7397","0.0009","9.492","0.002","90","","90.168","0.01","90","","1609.1","0.4","296","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","1","SX1031","Charles R. Ojala; William H. Ojala; William B. Gleason","By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide","Acta Crystallographica Section C","1998","54","1","60","63","10.1107/S0108270197011670","","","1.5418","CuKα","","","0.082","","","0.121","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006968","8.268","0.001","8.483","0.001","10.802","0.002","108.85","0.02","101.33","0.02","111.43","0.01","623.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C24 H32 N4 O4 S2 -","2","1","SX1033","William H. Ojala; William B. Gleason","Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","63","66","10.1107/S0108270197011682","","","1.5418","CuKα","","","0.0453","","","0.0583","","","","","2.656","2.656","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006969","10.1893","0.0008","11.0454","0.0008","6.1106","0.0005","99.258","0.006","93.769","0.007","75.799","0.005","657.77","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C26 H36 N4 O4 S2 -","2","1","SX1033","William H. Ojala; William B. Gleason","Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","63","66","10.1107/S0108270197011682","","","1.5418","CuKα","","","0.0342","","","0.0385","","","","","2.194","2.194","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006970","10.236","0.002","10.258","0.002","18.827","0.004","90","","105.1","0.02","90","","1908.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","SX1041","Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon","7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1998","54","1","134","136","10.1107/S0108270197012341","","","1.54178","CuKα","","0.0436","0.0362","","0.1021","0.0953","","","","1.071","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006971","4.606","0.001","4.606","0.001","9.348","0.002","90","","90","","120","","171.75","0.06","295","","295","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al2.03 B4 La O10.54 -","- Al2.028 B4 La O10.54 -","- Al2.028 B4 La O10.54 -","1","0.0833333","TA1153","Yang, P.; Yu, Wentao; Wang, J.Y.; Wei, J.Q.; Liu, Y.G.","LaAl~2.03~(B~4~O~10~)O~0.54~","Acta Crystallographica Section C","1998","54","1","11","12","10.1107/S010827019701072X","","","0.71073","MoKα","","0.0373","0.0247","","0.119","0.063","","","","1.091","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006972","7.675","0.001","25.4","0.007","7.27","0.002","90","","90","","90","","1417.3","0.6","295.2","","295.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H15 Cl N4 O4 Pt -","- C9 H15 Cl N4 O4 Pt -","- C36 H60 Cl4 N16 O16 Pt4 -","4","1","TA1154","Restrepo, Gerson F.; Barnes, Charles L.; Cádiz, Mayra E.; Olivero, Eneida; Huang, Songping D.","<i>cis</i>-Diamminechloro(2,5-dimethylbenzoxazole-<i>N</i>^1^)platinum(II) Nitrate","Acta Crystallographica Section C","1998","54","1","15","16","10.1107/S0108270197011116","","","0.7107","MoKα","","","0.029","","","0.033","","","","","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006973","10.94","0.001","10.94","0.001","10.94","0.001","90","","90","","90","","1309.4","0.3","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- H54 Mo12 N3 O61 P -","- Mo12 N15 O53 P -","- Mo12 N15 O53 P -","1","0.0208333","","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Yang, Guang-Di; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~3~[PMo~12~O~40~].21H~2~O","Acta Crystallographica Section C","1998","54","1","9","11","10.1107/S0108270197011128","","","","","","","0.0591","","","0.138","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006974","7.885","0.001","7.885","0.001","6.727","0.001","90","","90","","120","","362.21","0.08","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Ga3 O7 P -","- Ga3 O7 P -","- Ga9 O21 P3 -","3","0.166667","","Sophie Boudin; Kwang-Hwa Lii","Ga~3~PO~7~","Acta Crystallographica Section C","1998","54","","05","07","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006975","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","","Barbier, Jacques; Lévy, David","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","","02","05","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006976","8.815","0.001","10.905","0.001","13.21","0.002","95.46","0.01","108.26","0.01","107.74","0.01","1122.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N- acetato-N,N',N'',N''',O)copper(II) Bromide Monohydrate","","- C18 H39 Br Cu N4 O3 -","- C18 H39 Br Cu N4 O3 -","- C36 H78 Br2 Cu2 N8 O6 -","2","1","TA1176","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Chung, Chung-Sun; Chen, Yuan-Jang; Kwan, Keh-Shin","(<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>^1^-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>)copper(II) Bromide Monohydrate","Acta Crystallographica Section C","1998","54","1","25","27","10.1107/S010827019701113X","","","0.71073","MoKα","","0.083","0.048","","0.123","0.106","","","","1.024","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006977","10.174","0.003","11.482","0.003","15.583","0.003","87.23","0.02","87.63","0.02","66.21","0.02","1663.3","0.8","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","1","0.5","TA1180","Yi, Tao; Gao, Song; Chen, Xiong-Wei; Yan, Chun-Hua; Li, Biao-Guo","A Cyano-Bridged Ionic Pair Complex: [FeNd~2~(CN)~6~(C~10~H~8~N~2~)~4~(H~2~ O)~8~][Fe(CN)~6~].8H~2~O","Acta Crystallographica Section C","1998","54","1","41","43","10.1107/S0108270197012675","","","0.71073","MoKα","","0.0331","0.0276","","","","0.07","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006978","13.451","0.003","14.746","0.003","9.402","0.003","90","","90","","90","","1864.9","0.8","299","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-Bis(acetylacetonato)(3-methylpyridine)nitrocobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C64 H84 Co4 N8 O24 -","4","0.5","TA1185","Miyazaki, Hiroki; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>trans</i>-Bis(acetylacetonato-<i>O</i>,<i>O</i>')(3-methylpyridine-<i>N</i>)nitrocobalt(III)","Acta Crystallographica Section C","1998","54","1","46","47","10.1107/S0108270197012699","","","0.71073","MoKα","","","0.048","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006979","6.251","0.0011","8.187","0.002","11.784","0.002","91.43","0.02","94.74","0.02","90.56","0.02","600.8","0.2","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O3 -","- C12 H10 Br2 O3 -","- C24 H20 Br4 O6 -","2","1","TA1186","Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John","<i>endo</i>-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal","Acta Crystallographica Section C","1998","54","1","151","152","10.1107/S010827019701278X","","","0.71073","MoKα","","0.0488","0.0345","","0.0875","0.0808","","","","1.073","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006980","10.694","0.001","13.481","0.001","15.307","0.002","90","","94.32","0.01","90","","2200.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)- 7,7,9,9-tetramethyl-2,3:4,5-di(naphtho)-1,6,8-trioxa- 7,9-disila-cyclonona-2,4-diene","","- C24 H24 O3 Si2 -","- C24 H24 O3 Si2 -","- C96 H96 O12 Si8 -","4","1","VJ1062","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","(±)-7,7,9,9-Tetramethyl-2,3:4,5-dinaphtho-1,6,8-trioxa-7,9-disilacyclonona-2,4-diene","Acta Crystallographica Section C","1998","54","1","145","146","10.1107/S0108270197010317","","","0.71073","MoKα","","0.0713","0.0404","","0.1637","0.1217","","","","0.489","0.479","0.479","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006981","10.88","0.004","8.875","0.003","11.845","0.005","90","","100.89","0.06","90","","1123.2","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H26 N O4 -","- C54 H52 N2 O8 -","2","1","AB1492","Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1998","54","2","267","269","10.1107/S0108270197009128","","","0.71069","MoKα","","0.084","0.061","","0.158","","0.142","","","1.079","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006982","10.301","0.003","4.8869","0.0012","11.51","0.002","90","","91.102","0.019","90","","579.3","0.2","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Cyclothreonine","(4S,5R)-4-Amino-5-methyl-3-isoxazolidinone","","- C4 H9 N2 O2.5 -","- C4 H9 N2 O2.5 -","- C16 H36 N8 O10 -","4","1","AB1493","Anthoni, Uffe; Fatum, Tine Muxoll; Flensburg, Claus","Cyclothreonine at 122K","Acta Crystallographica Section C","1998","54","2","240","242","10.1107/S0108270197013887","","","1.54184","CuKα","","0.0254","0.0253","","0.0664","0.0663","","","","1.084","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006983","6.9732","0.0011","25.252","0.003","9.678","0.0011","90","","93.386","0.01","90","","1701.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 B9 Mo O2 S -","- C9 H21 B9 Mo O2 S -","- C36 H84 B36 Mo4 O8 S4 -","4","1","AB1502","Johansen, Kjeld; Rosair, Georgina M.; Weller, Andrew S.; Welch, Alan J.","3-(η^3^-Allyl)-3,3-dicarbonyl-4-(dimethyl sulfido)-3,1,2-molybdadicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","2","214","217","10.1107/S0108270197011372","","","0.71073","MoKα","","0.1213","0.048","","0.1413","0.0895","","","","1.03","1.008","1.008","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006984","4.8789","0.001","15.011","0.003","9.2835","0.0019","90","","99.46","0.03","90","","670.7","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Keto[14]aneS~4~","1,4,8,11-Tetrathiacyclotetradecan-6-one","","- C10 H18 O S4 -","- C10 H18 O S4 -","- C20 H36 O2 S8 -","2","1","AB1526","Blake, Alexander J.; Li, Wan-Sheung; Sutton, Liam R.; Schröder, Martin","1,4,8,11-Tetrathiacyclotetradecan-6-one","Acta Crystallographica Section C","1998","54","2","245","247","10.1107/S0108270197017423","","","0.71073","MoKα","","0.0218","0.0204","","","","0.0519","","","","","","1.111","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006985","9.3482","0.0002","7.0493","0.0003","18.0924","0.0007","90","","90","","90","","1192.26","0.07","161","2","161","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart","Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section C","1998","54","2","229","231","10.1107/S0108270197012390","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006986","13.705","0.002","32.939","0.004","11.6224","0.0013","90","","90","","90","","5246.7","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","bis(dimethylamine)-trichloro-tris(tert-butyloxy)-ditungsten","","- C16 H41 Cl3 N2 O3 W2 -","- C16 H41 Cl3 N2 O3 W2 -","- C128 H328 Cl24 N16 O24 W16 -","8","1","BK1344","Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu","A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~]","Acta Crystallographica Section C","1998","54","2","225","227","10.1107/S010827019700872X","","","0.71069","MoKα","","0.059","0.039","","0.094","0.0844","","","","1.14","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006987","21.311","0.004","3.908","0.0008","27.581","0.006","90","","97.49","0.03","90","","2277.4","0.8","163","2","163","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H6 Cl2 S2 -","- C12 H6 Cl2 S2 -","- C96 H48 Cl16 S16 -","8","1","BK1346","Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H.","2,7-Dichlorothianthrene","Acta Crystallographica Section C","1998","54","2","266","267","10.1107/S0108270197012018","","","0.71073","MoKα","","0.043","0.032","","0.085","0.081","","","","1.05","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006988","12.89","0.006","11.187","0.004","29.565","0.013","90","","90","","90","","4263","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C144 H208 N48 O64 -","16","2","BM1120","Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V.","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","Acta Crystallographica Section C","1998","54","2","271","273","10.1107/S0108270197013279","","","0.71073","MoKα","","0.2209","0.0802","","0.3034","0.1457","","","","1.094","1.365","1.365","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006989","13.803","0.003","10.78","0.016","17.272","0.007","90","","90","","90","","2570","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O5 S -","- C13 H8 N2 O5 S -","- C104 H64 N16 O40 S8 -","8","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0766","0.0392","","","","0.1067","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006990","7.149","0.004","8.178","0.005","16.556","0.003","90","","93.15","0.03","90","","966.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0894","0.0441","","","","0.1079","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006991","8.8328","0.0002","9.4173","0.0002","16.1617","0.0003","96.941","0.001","98.159","0.001","101.396","0.001","1289.06","0.05","153","2","150","2","","","","","","","","6","P -1","-P 1","2","","1-(N-triphenylphosphinegold)-amino-anthracene-9,10-dione","","- C32 H23 Au N O2 P -","- C32 H23 Au N O2 P -","- C64 H46 Au2 N2 O4 P2 -","2","1","BM1166","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.","(9,10-Dioxo-9,10-dihydro-1-anthrylaminato-<i>N</i>)(triphenylphosphine-<i>P</i>)gold","Acta Crystallographica Section C","1998","54","2","212","214","10.1107/S0108270197012985","","","0.71073","MoKα","","0.031","0.025","","0.064","0.055","","","","1.12","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006992","21.511","0.005","21.511","0.005","6.369","0.009","90","","90","","120","","2552","4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","6-α-Chloro-3-α-Hydroximethyl-2,2-Dimethyl-Penam-1,1-Dioxide,","","- C8 H12 Cl N O4 S -","- C8 H12 Cl N O4 S -","- C72 H108 Cl9 N9 O36 S9 -","9","1","BM1175","Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte","6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide","Acta Crystallographica Section C","1998","54","2","242","244","10.1107/S0108270197013103","","","0.71073","MoKα","","0.0291","0.0227","","0.0601","0.0582","","","","1.062","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006993","9.766","0.002","16.184","0.003","13.456","0.002","90","","100.82","0.02","90","","2089","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3,3,2'-Tetramethylspiro[indoline-2,3'-[3H]phenanthro[9,10-b][1,4]oxazine]","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","BM1186","Liang, Yong-Chao; Chen, Xue-An; Zhao, Ling; Zhang, Qi-Yuan; Chen, Jian-Xin; Ming, Yang-Fu; Fan, Mei-Gong","1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1998","54","2","279","281","10.1107/S0108270197014637","","","0.71073","MoKα","","","0.0398","","0.1086","0.1011","","","","0.946","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006994","5.624","0.0011","7.765","0.002","8.569","0.002","73.85","0.03","83.62","0.03","88.93","0.03","357.19","0.15","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","BM1194","Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes","Acta Crystallographica Section C","1998","54","2","231","233","10.1107/S0108270197014649","","","0.71073","MoKα","","0.0674","0.0464","","0.1287","0.1124","","","","1.054","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006995","6.9093","0.0009","12.38","0.002","7.3256","0.0011","90","","107.781","0.01","90","","596.68","0.16","220","0.2","220","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","BM1194","Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes","Acta Crystallographica Section C","1998","54","2","231","233","10.1107/S0108270197014649","","","1.54184","CuKα","","0.0583","0.0422","","0.1027","0.095","","","","1.097","1.175","1.175","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006996","6.355","0.0009","6.355","0.0009","4.449","0.0009","90","","90","","90","","179.68","0.05","293","2","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Li2 O5 Si V -","- Li2 O5 Si V -","- Li4 O10 Si2 V2 -","2","0.125","BR1196","Rangan, Krishnaswamy Kasthuri; Piffard, Yves; Joubert, Olivier; Tournoux, Michel","Li~2~VOSiO~4~: a Natisite-Type Structure","Acta Crystallographica Section C","1998","54","2","176","177","10.1107/S0108270197014650","","","0.71073","MoKα","","0.0974","0.0453","","0.088","0.0771","","","","1.016","1.119","1.119","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006997","15.476","0.003","6.649","0.001","24.08","0.005","90","","93.42","0.02","90","","2473.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","poly[N-(2-aminoethyl)-N-methyl-1,2-ethanediamine-κ^3^N]-μ-isothiocyanato- N:S-isothiocyanatonickel(II)","","- C7 H15 N5 Ni S2 -","- C7 H15 N5 Ni S2 -","- C56 H120 N40 Ni8 S16 -","8","1","CF1171","Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri","A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine","Acta Crystallographica Section C","1998","54","2","208","210","10.1107/S0108270197013280","","","0.71069","MoKα","","0.0436","0.0406","","0.1108","0.108","","","","1.081","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006998","8.665","0.001","12.503","0.002","16.306","0.002","90","","94.03","0.01","90","","1762.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","","","","2-(2-hydroxy-3-methoxy-5-sulfo-phenyl)-4H-1-benzopyran-4-one trihydrate","","- C16 H18 O10 S -","- C16 H18 O10 S -","- C64 H72 O40 S4 -","4","1","CF1187","Wallet, Jean-Claude; Habsaoui, Amar; Gaydou, Emile M.; Molins, Elies; Miravitlles, Carlos","2'-Hydroxy-3'-methoxy-5'-flavonesulfonic Acid Trihydrate: a New Zwitterion","Acta Crystallographica Section C","1998","54","2","247","249","10.1107/S0108270197014169","","","0.71069","MoKα","","0.146","0.041","","","0.101","","","","","0.944","0.944","","","","","has coordinates","281832","2023-03-13","07:43:06",""
"2006999","9.4818","0.0009","9.7365","0.0004","10.6089","0.001","93.469","0.008","113.697","0.005","97.89","0.008","881.08","0.13","220","0.2","220","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O4 S -","- C18 H22 O4 S -","- C36 H44 O8 S2 -","2","1","CF1192","Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","Two Methylsulfanylmethylene Derivatives of Meldrum's Acid","Acta Crystallographica Section C","1998","54","2","234","236","10.1107/S0108270197014170","","","1.5418","CuKα","","","0.0338","","","0.0402","","","","","1.1073","1.1073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007000","6.137","0.008","7.17","0.008","15","0.03","79","0.08","84.36","0.11","83.08","0.08","641.3","1.7","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O4 S2 -","- C11.681 H12 O4 S2 -","- C23.362 H24 O8 S4 -","2","1","CF1192","Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","Two Methylsulfanylmethylene Derivatives of Meldrum's Acid","Acta Crystallographica Section C","1998","54","2","234","236","10.1107/S0108270197014170","","","0.71073","MoKα","","0.065","0.061","","0.187","0.18","","","","1.152","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007001","14.818","0.002","14.818","0.002","29.903","0.006","90","","90","","120","","5686.2","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Chloro-tris(1,3-diphenyl-1,3-propanedionato)zirconium(IV)","","- C45 H33 Cl O6 Zr -","- C45 H33 Cl O6 Zr -","- C270 H198 Cl6 O36 Zr6 -","6","0.333333","CF1194","Janiak, Christoph; Scharmann, Tobias G.","The Racemic <i>C</i>~3~-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1998","54","2","210","212","10.1107/S0108270197014182","","","0.71069","MoKα","","0.025","0.024","","0.066","0.065","","","","1.085","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007002","13.459","0.004","9.2087","0.0015","15.883","0.005","90","","98.87","0.04","90","","1945","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(pyrazolo[3,4-d]pyrimidin-1-yl)alkane","1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C17 H20 N8 O2 S2 -","- C17 H20 N8 O2 S2 -","- C68 H80 N32 O8 S8 -","4","1","CF1197","Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S.","A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule","Acta Crystallographica Section C","1998","54","2","275","277","10.1107/S0108270197013309","","","0.71073","MoKα","","0.0851","0.0404","","0.1213","0.0993","","","","0.956","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007003","13.058","0.003","8.677","0.001","21.842","0.003","90","","92.79","0.01","90","","2471.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine)(propionato)copper(II) Nitrate","","- C23 H23 Cu N7 O5 -","- C23 H23 Cu N7 O5 -","- C92 H92 Cu4 N28 O20 -","4","1","CF1199","Sujittra Youngme; Kamphone Chandavong; Chaveng Pakawatchai; Zhong-yuan Zhou; Hoong-Kun Fun","Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Nitrate","Acta Crystallographica Section C","1998","54","2","199","201","10.1107/S0108270197014194","","","0.71073","MoKα","","0.0519","0.0376","","0.1053","0.0997","","","","0.984","1.093","1.093","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007004","31.919","0.005","9.399","0.002","11.26","0.003","90","","93.83","0.01","90","","3370.5","1.3","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","chasmaconitine","","","- C34.5 H49 N O9.5 -","- C34.5 H47 N O9.5 -","- C138 H188 N4 O38 -","4","1","FG1327","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I.","Chasmaconitine 0.5-Methanol Solvate","Acta Crystallographica Section C","1998","54","2","236","238","10.1107/S0108270197013450","","","1.54178","CuKα","","0.0692","0.0582","","0.1713","0.1574","","","","1.047","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007005","7.6575","0.0005","11.9173","0.0009","25.561","0.002","92.44","0.007","97.574","0.006","90.558","0.007","2309.9","0.3","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","(4Z,10E,12Z)-[1R^*^,14S^*^]-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-4,10,12-triene","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","2","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0644","0.0507","","0.1575","0.1375","","","","1.1","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007006","9.1783","0.001","10.5526","0.0013","13.657","0.002","108.201","0.01","101.221","0.009","98.791","0.009","1199.7","0.3","293","2","293","1","","","","","","","","3","P -1","-P 1","2","","rac-(5Z,11Z,13Z)-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-5,11,13-triene","","- C24 H30 O8 -","- C24 H29.97 O8 -","- C48 H59.94 O16 -","2","1","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0555","0.0462","","0.1551","0.1453","","","","0.997","1.079","1.079","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007007","8.0693","0.0009","10.9292","0.0005","24.951","0.002","90","","90","","90","","2200.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α,9β-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","1","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0489","0.0487","","0.1162","0.1161","","","","1.253","1.255","1.255","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007008","6.9986","0.0004","12.1754","0.0006","53.584","0.003","90","","90","","90","","4565.9","0.4","293","2","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C192 H240 O64 -","8","2","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0803","0.0631","","0.1832","0.1641","","","","1.055","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007009","4.7","0.001","5.0228","0.0008","10.8995","0.0006","90","","90","0.01","90","","257.31","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","3-aminopyrazole-4-carboxylic acid","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C8 H10 N6 O4 -","2","1","FG1359","Dobson, Allison J.; Gerkin, Roger E.","Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","2","253","256","10.1107/S0108270197013115","","","0.71073","MoKα","","","0.04","","","","0.082","","","","","","3.57","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007010","7.4118","0.0001","16.728","0.0003","13.5168","0.0001","90","","90.748","0.001","90","","1675.73","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-dimethyl-2,2'-bipyridinetrichloromanganese(III) acetonitrile solvate","","- C14 H15 Cl3 Mn N3 -","- C14 H15 Cl3 Mn N3 -","- C56 H60 Cl12 Mn4 N12 -","4","1","FG1372","Abboud, Khalil A.; Ward, Brian H.; Talham, Daniel R.","Trichloro(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(III) Acetonitrile Solvate (1/1)","Acta Crystallographica Section C","1998","54","2","180","181","10.1107/S0108270197012419","","","0.71073","MoKα","","0.035","0.03","","0.081","0.076","","","","1.07","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007011","10.048","0.002","10.578","0.015","10.611","0.002","73.79","0.02","71.69","0.02","63.31","0.01","943.9","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H33 As Cl2 -","- C18 H33 As Cl2 -","- C36 H66 As2 Cl4 -","2","1","FG1394","Pascu, Sofia; Silaghi-Dumitrescu, Luminita; Blake, Alexander J.; Li, Wan-Sheung; Haiduc, Ionel; Sowerby, D. Bryan","<i>trans</i>-Dichlorotri(cyclohexyl)arsenic(V)","Acta Crystallographica Section C","1998","54","2","219","221","10.1107/S0108270197013334","","","0.71073","MoKα","","0.0236","0.0216","","","","0.0514","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007012","14.8333","0.0008","7.601","0.0009","14.109","0.002","90","","90","","90","","1590.8","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Cyclopentadienyltricarbonyltrimethylphosphinemolybdenum(II) tetrafluoroborate","","- C11 H14 B F4 Mo O3 P -","- C11 H14 B F4 Mo O3 P -","- C44 H56 B4 F16 Mo4 O12 P4 -","4","1","FR1063","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-<i>P</i>)molybdenum(II) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","2","181","183","10.1107/S0108270197012651","","","0.71073","MoKα","","0.0805","0.033","","0.0813","0.0686","","","","1.048","1.118","1.118","","","","","has coordinates,has disorder","192303","2020-10-21","18:00:00",""
"2007013","14.622","0.002","17.901","0.003","6.908","0.001","92.43","0.01","90.88","0.01","92.35","0.01","1804.7","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","[N-(1-Adamantyl)acetamide]1/3(methanol-water) solvate","","- C12.3333 H21 N O1.6667 -","- C12.3333 H21 N O1.66667 -","- C74 H126 N6 O10 -","6","3","FR1075","Kashino, Setsuo; Tateno, Shuichi; Hamada, Noritaka; Haisa, Masao","Methanol‒Water Solvate of <i>N</i>-(1-Adamantyl)acetamide","Acta Crystallographica Section C","1998","54","2","273","274","10.1107/S0108270197013541","","","0.71073","MoKα","","","0.072","","","","0.064","","","","","","1.16","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007014","7.0367","0.0002","12.2343","0.0004","15.1467","0.0005","90","","103.202","0.001","90","","1269.5","0.07","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","trans-Diaquobis(2-thienyl 2-pyridyl ketone-O, N)copper(II) tetrafluoroborate","","- C20 H18 B2 Cu F8 N2 O4 S2 -","- C20 H18 B2 Cu F8 N2 O4 S2 -","- C40 H36 B4 Cu2 F16 N4 O8 S4 -","2","0.5","FR1082","Sommerer, Shaun O.; Friebe, Timothy L.; Jircitano, Alan J.; MacBeth, Cora E.; Abboud, Khalil A.","<i>trans</i>-Diaquabis(2-thienyl 2-pyridyl ketone-<i>O</i>,<i>N</i>)copper(II) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","2","178","179","10.1107/S0108270197014728","","","0.71073","MoKα","","0.063","0.057","","0.153","","0.146","","","1.061","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007015","5.4239","0.0005","7.1863","0.0009","8.1732","0.0008","88.86","0.009","71.254","0.008","81.261","0.009","298.03","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","Citraconic acid","2-methyl-2-butenedioic acid","","- C5 H6 O4 -","- C5 H6 O4 -","- C10 H12 O8 -","2","1","HA1205","Batchelor, Elaine; Jones, William","Citraconic Acid","Acta Crystallographica Section C","1998","54","2","238","240","10.1107/S0108270197014224","","","0.71069","MoKα","","0.0951","0.0489","","0.1574","0.1277","","","","0.973","1.003","1.003","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007016","13.776","0.003","13.262","0.003","24.964","0.01","90","","94.54","0.04","90","","4547","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ^2^(2-thioxo-1,3-dithiole-4,5-dithiolate)bis(tri-p-metoxyphenyl phosphine)digold(I)","","- C45 H42 Au2 O6 P2 S5 -","- C45 H42 Au2 O6 P2 S5 -","- C180 H168 Au8 O24 P8 S20 -","4","1","JZ1240","Cerrada, Elena; Laguna, Mariano; Villacampa, M. Dolores","μ-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(<i>p</i>-methoxyphenyl)phosphine]gold(I)}","Acta Crystallographica Section C","1998","54","2","201","203","10.1107/S0108270197013346","","","0.71073","MoKα","","0.0631","0.0413","","0.0996","0.0868","","","","1.048","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007017","6.9449","0.0007","10.3618","0.0013","11.9715","0.0014","75.392","0.011","88.293","0.01","70.621","0.009","785.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C32 H36 Cu2 N4 O8 -","2","1","JZ1244","Warda, Salam A.","Aqua(2,3-dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","2","187","189","10.1107/S010827019701305X","","","1.54178","CuKα","","0.0598","0.0488","","","","0.1399","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007018","8.5214","0.0007","15.3737","0.0018","9.9845","0.0005","90","","100.905","0.005","90","","1284.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Polymeric Pyrazine-Bis[N-salicylideneglycinato-copper(II)]-1,4-dioxane","","- C26 H26 Cu2 N4 O8 -","- C26 H26 Cu2 N4 O8 -","- C52 H52 Cu4 N8 O16 -","2","0.5","JZ1247","Warda, Salam A.","<i>catena</i>-Poly[[(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)-μ-pyrazine-<i>N</i>:<i>N</i>'-(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)]-μ-1,4-dioxane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","2","189","191","10.1107/S0108270197013061","","","0.71073","MoKα","","0.0414","0.0319","","","","0.0897","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007019","12.36","0.002","17.042","0.003","25.08","0.005","90","","92.93","0.03","90","","5275.9","1.6","173","","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-{7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P'}- pentafluorophenyltriphenylphosphinedigold(I) dichloromethane solvate","","- C51 H47 Au2 B9 Cl2 F5 P3 -","- C51 H47 Au2 B9 Cl2 F5 P3 -","- C204 H188 Au8 B36 Cl8 F20 P12 -","4","1","JZ1248","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Villacampa, M. Dolores","μ-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-1κ<i>P</i>,2κ<i>P</i>'](pentafluorophenyl-1κ<i>C</i>)(triphenylphosphine-2κ<i>P</i>)digold(I) Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","2","203","205","10.1107/S0108270197013826","","","0.71073","MoKα","","0.0604","0.043","","0.1081","0.0987","","","","1.04","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007020","16.206","0.002","8.991","0.004","18.665","0.002","90","","102.91","0.02","90","","2650.9","1.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C136 H128 O16 -","4","1","KA1242","Sybolt Harkema; Jan-Dirk van Loon; Willem Verboom; David N. Reinhoudt","15,17-Di-2-propenylcalix[4]arene-25,26,27,28-tetrol: Self-Complexation and C—H···O Interactions","Acta Crystallographica Section C","1998","54","2","269","271","10.1107/S0108270197010937","","","0.71073","MoKα","","0.184","0.096","","0.113","0.101","","","","0.817","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007021","12.117","0.002","12.324","0.002","13.508","0.003","90","","108.83","0.03","90","","1909.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5-dihydroxiethyl-barbituric acid","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C64 H96 N16 O40 -","8","2","LN1024","Irles, Nuria; Subirana, J.Antoni; Solans, Xavier","5,5-Dihydroxyethylbarbituric Acid","Acta Crystallographica Section C","1998","54","2","249","250","10.1107/S0108270197013899","","","0.71069","MoKα","","0.1201","0.0683","","0.2904","0.1951","","","","0.984","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007022","13.832","0.003","9.055","0.002","16.005","0.003","90","","104.52","0.02","90","","1940.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cr O4 -","- C23 H16 Cr O4 -","- C92 H64 Cr4 O16 -","4","1","LN1031","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(4a,5,6,7,8,9-η)-2-methyl-2-phenyl-2<i>H</i>-benzo[<i>f</i>]chromen]chromium","Acta Crystallographica Section C","1998","54","2","221","223","10.1107/S0108270197014236","","","0.71073","MoKα","","0.0425","0.0414","","0.085","0.0847","","","","0.955","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007023","23.424","0.004","9.689","0.004","14.47","0.003","90","","90.53","0.02","90","","3283.9","1.6","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C27 H31 Br2 N O S8 -","- C27 H31 Br2 N O S8 -","- C108 H124 Br8 N4 O4 S32 -","4","0.5","LN1035","Honda, Kazumasa; Takasaki, Satoshi; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Anzai, Hiroyuki","Tetramethyltetrathiafulvalenium Bromide Benzonitrile Water Solvate","Acta Crystallographica Section C","1998","54","2","261","264","10.1107/S0108270197013905","","","0.7107","MoKα","","0.1619","0.053","","0.0739","0.0597","","","","0","1.32","1.32","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007024","8.6342","0.0003","11.608","0.0005","13.384","0.001","91.988","0.005","108.291","0.005","95.861","0.003","1263.82","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate","","- C22 H24 Cl Co N4 O11 -","- C22 H24 Cl Co N4 O11 -","- C44 H48 Cl2 Co2 N8 O22 -","2","1","LN1036","Tong, Ming-Liang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng","Bis[di-2-pyridylmethanediolato(1‒)-<i>N</i>,<i>O</i>,<i>N</i>']cobalt(III) Perchlorate Trihydrate","Acta Crystallographica Section C","1998","54","2","217","219","10.1107/S0108270197013358","","","0.71073","MoKα","","0.0404","0.0325","","0.0826","0.0778","","","","1.061","1.082","1.082","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007025","9.672","0.001","15.698","0.002","9.04","0.002","104.48","0.01","105.07","0.01","88.53","0.01","1282.1","0.4","297","","","","","","","","","","","5","P -1","-P 1","2","","dimethanolatotetrakis(μ-4-chlorophenoxyisobutyrato-O:O')dicopper(II) dimethanol solvate","","- C44 H56 Cl4 Cu2 O16 -","- C44 H56 Cl4 Cu2 O16 -","- C44 H56 Cl4 Cu2 O16 -","1","0.5","LN1037","Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine","Acta Crystallographica Section C","1998","54","2","193","195","10.1107/S0108270197012973","","","0.71073","MoKα","","","0.046","","","0.042","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007026","6.728","0.002","16.958","0.001","13.388","0.002","90","","101.38","0.02","90","","1497.5","0.5","299","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(pyridine)bis(4-chlorophenoxyisobutyrato-O,O')copper(II)","","- C30 H30 Cl2 Cu N2 O6 -","- C30 H30 Cl2 Cu N2 O6 -","- C60 H60 Cl4 Cu2 N4 O12 -","2","0.5","LN1037","Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine","Acta Crystallographica Section C","1998","54","2","193","195","10.1107/S0108270197012973","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007027","16.825","0.004","16.658","0.003","17.162","0.005","90","0.02","102.18","0.02","90","0.02","4702","2","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-bis(diphenylphosphino)ethane)-hydroxo-oxo-molybdenum(IV) perchlorate","","- C52 H49 Cl Mo O6 P4 -","- C52 H49 Cl Mo O6 P4 -","- C208 H196 Cl4 Mo4 O24 P16 -","4","1","LN1040","Bendix, Jesper; Bøgevig, Anders","<i>trans</i>-[Mo(O)(OH)(dppe)~2~]^+^ as its Perchlorate Salt","Acta Crystallographica Section C","1998","54","2","206","208","10.1107/S010827019701336X","","","0.71073","MoKα","","0.0506","0.0364","","0.0842","","0.0842","","","1.035","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007028","6.879","0.002","14.004","0.003","9.504","0.001","90","","91.37","0.02","90","","915.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Complexe de Cuivre(II) di(Nitriloacétatodiacétique) Dihydrate","","- C12 H20 Cu N2 O14 -","- C12 H20 Cu N2 O14 -","- C24 H40 Cu2 N4 O28 -","2","0.5","MU1346","Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar","Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O","Acta Crystallographica Section C","1998","54","2","197","199","10.1107/S0108270197011402","","","0.71069","MoKα","","0.0691","0.0422","","0.0898","0.0801","","","","1.093","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007029","9.545","0.002","16.271","0.004","22.797","0.003","90","","90","","90","","3540.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-2,3-dibenzyloxy-1,4-bis(diphenylphosphino)butane","","- C42 H40 O2 P2 -","- C42 H40 O2 P2 -","- C168 H160 O8 P8 -","4","1","NA1325","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva","(2<i>R</i>,3<i>R</i>)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane","Acta Crystallographica Section C","1998","54","2","264","266","10.1107/S0108270197014248","","","0.71073","MoKα","","0.1191","0.0363","","","0.0741","0.0923","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007030","16.325","0.003","16.325","0.003","35.135","0.005","90","","90","","120","","8109","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium potassium gallium intermetallic compound","","- Ga47.45 K4 Na13 -","- Ga47.452 K4 Na13 -","- Ga284.712 K24 Na78 -","6","0.166667","OH1104","Flot, D.; Vincent, L.; Tillard-Charbonnel, M.; Belin, C.","Na~13~K~4~Ga~47.45~: a New Sodium Potassium Gallide Phase Containing Trimeric Icosahedral Gallium Clusters","Acta Crystallographica Section C","1998","54","2","174","175","10.1107/S0108270197015977","","","0.7107","MoKα","","0.0577","0.0536","","0.1376","0.1355","","","","1.071","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007031","10.184","0.001","10.941","0.001","13.441","0.001","84.8","0.02","67.94","0.02","82.65","0.02","1375.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O4 S2 -","- C30 H26 N2 O4 S2 -","- C60 H52 N4 O8 S4 -","2","1","PT1051","Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K.","4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carboline","Acta Crystallographica Section C","1998","54","2","277","279","10.1107/S0108270197011268","","","0.71073","MoKα","","0.133","0.061","","0.192","0.143","","","","0.963","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007032","36.858","0.005","6.5975","0.001","12.145","0.002","90","","101.255","0.01","90","","2896.5","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.1339","0.0881","","0.3289","0.3023","","","","1.12","1.426","1.426","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007033","8.945","0.003","8.664","0.002","47.029","0.009","90","","90","","90","","3644.7","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-3,3,6-tribromo-2-phenyl-4H-1-benzopyran- 4-one","","- C17 H13 Br3 O5 -","- C17 H13 Br3 O5 -","- C136 H104 Br24 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.2065","0.0826","","0.2357","0.1958","","","","0.833","1.235","1.235","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007034","19.897","0.0018","11.878","0.002","8.0208","0.0012","90","","97.204","0.01","90","","1880.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8- benzocoumarin","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","QA0031","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1998","54","2","IUC9800003","","10.1107/S010827019809982X","","","0.71073","MoKα","","0.1175","0.0437","","0.1225","0.1026","","","","0.833","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007035","12.673","0.003","11.809","0.002","11.921","0.002","90","","100.74","0.03","90","","1752.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","QB0025","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Diáz de Delgado, Graciela; Roque, Estela; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz; Espinosa, Remberto; Liván Alba Gutierrez","2-Ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-phenyl-4,7-dihydrothieno[2,3-<i>b</i>]pyridine","Acta Crystallographica Section C","1998","54","2","IUC9800002","","10.1107/S0108270198099831","","","0.71069","MoKα","","0.0915","0.0689","","0.1975","0.1771","","","","1.033","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007036","14.407","0.001","8.425","0.001","11.777","0.001","90","","100.93","0.01","90","","1403.5","0.2","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","dichloro{(S,S)-trans-diphenyl[(2- diphenylphosphinyl)cyclohexyl]phosphinicacidester}palladium(II)","","- C30 H30 Cl2 O P2 Pd -","- C30 H30 Cl2 O P2 Pd -","- C60 H60 Cl4 O2 P4 Pd2 -","2","1","SK1135","Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R.","Ligands with Cycloalkane Backbones. IV. Dichloro{(<i>S</i>,<i>S</i>)-<i>trans</i>-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)","Acta Crystallographica Section C","1998","54","2","227","228","10.1107/S0108270197013231","","","0.71073","MoKα","","0.0258","0.0237","","","0.0634","0.0658","","","1.111","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007037","6.5295","0.0008","11.0584","0.0007","12.2954","0.0007","90","","92.92","0.006","90","","886.65","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetraammonium tetrametaphosphimate tetrahydrate","Tetraammonium-tetra-μ-imido-cyclotetraphosphate tetrahydrate","","- H28 N8 O12 P4 -","- H28 N8 O12 P4 -","- H56 N16 O24 P8 -","2","0.5","SK1143","Stock, Norbert; Schnick, Wolfgang","Tetraammonium Tetrametaphosphimate Tetrahydrate","Acta Crystallographica Section C","1998","54","2","171","174","10.1107/S0108270197012766","","","0.71073","MoKα","","0.028","0.0262","","0.0778","0.0765","","","","1.124","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007038","13.18","0.002","5.8904","0.0008","5.056","0.0005","90","","90","","90","","392.52","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadmium selenite monohydrate","Cadmium trioxoxselenate(IV) monohydrate","","- Cd H2 O4 Se -","- Cd H2 O4 Se -","- Cd4 H8 O16 Se4 -","4","0.5","SK1149","Bäumer, Ulrich; Engelen, Bernward; Müller, Holger","Intralayer Hydrogen Bonding in CdSeO~3~.H~2~O","Acta Crystallographica Section C","1998","54","2","169","171","10.1107/S0108270197014042","","","0.71069","MoKα","","0.0191","0.0186","","0.044","0.0438","","","","1.29","1.299","1.299","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007039","31.647","0.003","5.598","0.005","11.327","0.002","90","","105.3","0.02","90","","1935.6","1.8","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","0.5","TA1101","Kyoko Tamaki; Nobuo Okabe","Diaquabis[<i>N</i>-(1-naphthyl)-<i>N</i>-nitrosohydroxylaminato-<i>O</i>,<i>O</i>']cobalt(II)","Acta Crystallographica Section C","1998","54","2","195","197","10.1107/S0108270197013620","","","0.71069","MoKα","","","0.04","","","0.041","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007040","27.96","0.003","9.1643","0.0008","18.488","0.002","90","","131.137","0.008","90","","3567.8","0.8","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphoshine)iminium tetrabromooxomolybdate(V)","","- C36 H30 Br4 Mo N O P2 -","- C36 H30 Br4 Mo N O P2 -","- C144 H120 Br16 Mo4 N4 O4 P8 -","4","0.5","TA1139","Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo","Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]","Acta Crystallographica Section C","1998","54","2","184","187","10.1107/S0108270197010718","","","0.71073","MoKα","","0.0419","0.0291","","0.0697","0.0651","","","","1.115","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007041","13.258","0.002","13.258","0.002","7.8926","0.0015","90","","90","","90","","1387.3","0.4","153","2","153","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetraphenylphosphonium aquotetraiodooxomolybdate(V)","","- C24 H22 I4 Mo O2 P -","- C24 H20 I4 Mo O2 P -","- C48 H40 I8 Mo2 O4 P2 -","2","0.25","TA1139","Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo","Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]","Acta Crystallographica Section C","1998","54","2","184","187","10.1107/S0108270197010718","","","0.71073","MoKα","","0.0678","0.0551","","0.1266","0.1212","","","","1.195","1.254","1.254","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007042","16.546","0.003","8.97","0.002","11.507","0.002","90","","98.9","0.02","90","","1687.3","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)","","- C21 H16 Cu N2 O2 -","- C21 H16 Cu N2 O2 -","- C84 H64 Cu4 N8 O8 -","4","1","TA1184","Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo","{2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)","Acta Crystallographica Section C","1998","54","2","191","193","10.1107/S0108270197013619","","","0.71073","MoKα","","","0.042","","","0.038","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007043","7.5131","0.0001","9.1074","0.0002","9.8983","0.0002","83.786","0.001","79.879","0.001","77.383","0.001","648.93","0.02","153","2","153","2","","","","","","","","6","P -1","-P 1","2","di-2-pyridyl sulfide silver nitrate dimer","","","- C11 H11 Ag N3 O3.5 S -","- C22 H22 Ag2 N6 O7 S2 -","- C22 H22 Ag2 N6 O7 S2 -","1","0.5","TA1195","Anderson, Regan J.; Steel, Peter J.","A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide","Acta Crystallographica Section C","1998","54","2","223","225","10.1107/S0108270197014911","","","0.71073","MoKα","","","0.0219","","","","0.0562","","","","","","1.061","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007044","11.4376","0.001","9.8396","0.0009","12.5356","0.0011","90","","101.453","0.007","90","","1382.7","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","0.5","AB1498","Hökelek, Tuncer; Budak, Kıvanç; S̨endi̇l, Kıvılcım; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(4-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","347","348","10.1107/S0108270197013978","","","0.71073","MoKα","","","0.056","","","0.044","","","","","1.21","1.21","","","","","has coordinates","278319","2022-10-03","11:56:22",""
"2007045","8.2968","0.0011","7.7364","0.0011","10.6066","0.0015","90","","93.434","0.011","90","","679.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","AB1500","Casas, José S.; Castiñeiras, Alfonso; Couce, Delfina; Playá, Nuria; Sordo, José; Varela, José M.","1-Acetyl-2-thiohydantoin","Acta Crystallographica Section C","1998","54","3","427","428","10.1107/S0108270197014960","","","0.71073","MoKα","","0.069","0.04","","0.115","0.102","","","","1.038","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007046","14.612","0.003","10.715","0.003","20.636","0.004","90","","92.88","0.02","90","","3226.8","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Hexakis(N,N-dimethylformamido)nickel(II)] bis(tetrafluoroborate)","","- C18 H42 B2 F8 N6 Ni O6 -","- C18 H42 B2 F8 N6 Ni O6 -","- C72 H168 B8 F32 N24 Ni4 O24 -","4","1","AB1501","Li, Wan-Sheung; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin; Bruce, Duncan W.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1998","54","3","349","351","10.1107/S010827019701398X","","","0.71073","MoKα","","0.0954","0.061","","","","0.1391","","","","","","1.139","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007047","9.421","0.002","9.081","0.002","16.31","0.004","90","","98.14","0.04","90","","1381.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Co I6 S6 -","- C12 H24 Co I6 S6 -","- C24 H48 Co2 I12 S12 -","2","0.5","AB1509","Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Bis(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')cobalt(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","293","295","10.1107/S0108270197014418","","","0.71073","MoKα","","0.035","0.031","","","","0.08","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007048","11.608","0.001","11.986","0.001","12.775","0.001","73.426","0.007","71.549","0.007","62.478","0.007","1474.7","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu4 N12 O38 -","- C44 H26 Cu3 N12 O38 -","- C44 H26 Cu3 N12 O38 -","1","0.5","AB1512","Hökelek, Tuncer; Mert, Yüksel; Ünaleroğlu, Canan","<i>catena</i>-Poly[[tetrakis(μ-3,5-dinitrobenzoato-<i>O</i>:<i>O</i>')dicopper(II)]bis[(μ-3,5-dinitrobenzoato-<i>O</i>:<i>O</i>')(methanol-<i>O</i>)copper(II)]]","Acta Crystallographica Section C","1998","54","3","310","313","10.1107/S0108270197014613","","","0.71073","MoKα","","","0.055","","","0.07","","","","","2.31","2.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007049","4.3226","0.0006","9.073","0.002","14.284","0.002","90","","91.73","0.01","90","","559.95","0.17","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","AB1514","Taka, Jun-ichiro; Ogino, Shinya; Kashino, Setsuo","Ammonium Hydrogen Tartronate","Acta Crystallographica Section C","1998","54","3","384","386","10.1107/S0108270197015126","","","0.71073","MoKα","","","0.066","","","","0.055","","","","","","1.22","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007050","8.949","0.002","11.593","0.002","8.6175","0.0009","97.89","0.01","110.715","0.009","100.44","0.02","802.4","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Cl N5 -","- C18 H12 Cl N5 -","- C36 H24 Cl2 N10 -","2","1","AB1519","Wang, Zuoxiang; Bai, Zhiping; Yang, Jiaxiang; Okamoto, Ken-ichi; You, Xiaozeng","3,5-Bis(2-pyridyl)-4-<i>p</i>-chlorophenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","3","438","439","10.1107/S0108270197014625","","","0.7107","MoKα","","","0.038","","","0.0515","","","","","1.282","1.282","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007051","9.9029","0.0007","10.1259","0.0006","11.6523","0.0011","79.919","0.006","76.972","0.006","75.994","0.005","1095.52","0.15","294","1","294","1","","","","","","","","4","P -1","-P 1","2","Butadiynyl(cyclopentadienyl)(triphenylphosphine)nickel(II)","1,3-Butadiynyl(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","","- C27 H21 Ni P -","- C27 H21 Ni P -","- C54 H42 Ni2 P2 -","2","1","AB1525","Gallagher, John F.; Butler, Peter; Manning, Anthony R.","(1,3-Butadiynyl-<i>C</i>^1^)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","1998","54","3","342","345","10.1107/S0108270197016478","","","0.7107","MoKα","","0.037","0.024","","","","0.066","","","","","","1.047","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007052","11.097","0.004","18.745","0.005","12.237","0.003","90","","108.95","0.02","90","","2407.5","1.3","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4 .0.4.3]tridec-2,11-diene","","- C25 H25 F3 N2 O S2 -","- C25 H25 F3 N2 O S2 -","- C100 H100 F12 N8 O4 S8 -","4","1","AB1528","Linden, Anthony; Bojkova, Nina; Heimgartner, Heinz","2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4.0.4.3]trideca-2,11-diene","Acta Crystallographica Section C","1998","54","3","373","376","10.1107/S010827019701648X","","","0.71073","MoKα","","0.0547","0.0372","","","","0.0882","","","","","","1.038","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007053","16.509","0.0015","8.2204","0.0008","12.7283","0.0012","90","","90","","90","","1727.4","0.3","160","2","160","2","","","","","","","","3","P n a 21","P 2c -2n","33","","diphenylzirconocene","","- C22 H20 Zr -","- C22 H20 Zr -","- C88 H80 Zr4 -","4","1","AB1533","Clegg, William; Horsburgh, Lynne; Lindsay, David M.; Mulvey, Robert E.","Diphenylzirconocene","Acta Crystallographica Section C","1998","54","3","315","317","10.1107/S0108270197019343","","","0.71073","MoKα","","0.0236","0.0222","","","","0.0585","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007054","11.044","0.002","11.809","0.002","4.6958","0.0007","92.74","0.01","95.04","0.01","111.337","0.01","566.13","0.17","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F3 N O2 -","- C13 H10 F3 N O2 -","- C26 H20 F6 N2 O4 -","2","1","BK1297","Jasinski, Jerry P.; Jasinski, John M.; Li, Yu","6,7,8,9-Tetrahydro-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (II)","Acta Crystallographica Section C","1998","54","3","410","412","10.1107/S0108270197007221","","","0.71069","MoKα","","0.067","0.036","","0.107","0.092","","","","1.03","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007055","9.756","0.004","12.613","0.004","22.443","0.004","90","","92.45","0.02","90","","2759.1","1.5","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","2","BK1297","Jasinski, Jerry P.; Jasinski, John M.; Li, Yu","6,7,8,9-Tetrahydro-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (II)","Acta Crystallographica Section C","1998","54","3","410","412","10.1107/S0108270197007221","","","0.71069","MoKα","","0.162","0.055","","0.184","0.127","","","","1","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007056","12.6451","0.0006","11.5793","0.0006","17.7855","0.0009","90","","99.444","0.001","90","","2568.9","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tetra-n-butylammonium) hexakis((μ~3~-sulfido)-nitroso-iron)","","- C32 H72 Fe6 N8 O6 S6 -","- C32 H72 Fe6 N8 O6 S6 -","- C64 H144 Fe12 N16 O12 S12 -","2","0.5","BK1352","Geiser, Urs; Williams, Jack M.","Bis(tetra-<i>n</i>-butylammonium) Hexa-μ~3~-sulfido-hexakis(nitrosoiron)","Acta Crystallographica Section C","1998","54","3","292","293","10.1107/S0108270197013802","","","0.71073","MoKα","","0.055","0.041","","0.114","0.104","","","","1.019","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007057","19.6219","0.0004","15.5067","0.0004","19.4399","0.0005","90","","103.015","0.001","90","","5763","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triethylammonium tris(thiobenzoato-O,S)cadmate(II)","","- C27 H31 Cd N O3 S3 -","- C27 H31 Cd N O3 S3 -","- C216 H248 Cd8 N8 O24 S24 -","8","2","BK1365","Vittal, Jagadese J.; Dean, Philip A. W.","Triethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)cadmate(II)","Acta Crystallographica Section C","1998","54","3","319","321","10.1107/S0108270197014431","","","0.71073","MoKα","","0.053","0.034","","0.078","0.07","","","","1.025","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007058","8.313","0.001","13.367","0.001","18.981","0.001","90","","90","","90","","2109.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rotundifoline","E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C88 H112 N8 O20 -","4","1","BM1144","Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya","Rotundifoline, an Oxoindole Alkaloid","Acta Crystallographica Section C","1998","54","3","399","401","10.1107/S0108270197013528","","","0.71073","MoKα","","0.1818","0.0815","","","","0.2448","","","","","","1.058","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007059","9.197","0.001","10.606","0.001","13.259","0.001","90","","90.94","0.01","90","","1293.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2-ethyl-1-3,5dimethylphenyl pyridin-4-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.0518","0.0424","","0.1205","0.112","","","","1.056","1.081","1.081","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007060","7.305","0.001","18.615","0.007","18.296","0.002","90","","99.81","0.02","90","","2451.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.1","0.054","","0.1484","0.1214","","","","1.017","1.109","1.109","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2007061","7.306","0.001","10.351","0.001","17.321","0.002","86.25","0.01","78.44","0.01","71.92","0.01","1219.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4methoxyphenyl pyridin-4-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","2","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.0699","0.0491","","0.1431","0.1201","","","","1.071","1.111","1.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007062","5.565","0.0007","11.9277","0.0014","12.7732","0.0015","77.935","0.003","84.163","0.003","79.965","0.003","814.56","0.17","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","6-Acety-3,7-diacetoxy-2,2-dimethyl-2H-benzopyran","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","BM1179","Jha, Amitaba; Malhotra, Sanjay; Parmar, Virinder S; Errington, William","6-Acetyl-3,4-dihydro-2,2-dimethyl-2<i>H</i>-benzopyran-3,7-diyl Diacetate","Acta Crystallographica Section C","1998","54","3","361","363","10.1107/S010827019701514X","","","0.71073","MoKα","","0.079","0.052","","","","0.14","","","","","","1.043","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007063","10.3731","0.0018","5.7516","0.001","22.46","0.004","90","","101.992","0.004","90","","1310.8","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3',4'-Dimethoxydihydrocinnamoylpyrrole","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BM1181","Kumar, Rajesh; Parmar, Virinder S.; Errington, William; Wengel, Jesper; Olsen, Carl E.","1-(3,4-Dimethoxy-α,β-dihydrocinnamoyl)pyrrole, a Novel Amide from <i>Piper brachystachyum</i>","Acta Crystallographica Section C","1998","54","3","363","365","10.1107/S0108270197015606","","","0.71073","MoKα","","0.0642","0.0453","","","","0.1192","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007064","8.629","0.003","9.599","0.003","6.739","0.003","90","","90.29","0.03","90","","558.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-5-amino-1H-1,2,4-triazole","","- C3 H3 F3 N4 -","- C3 H3 F3 N4 -","- C12 H12 F12 N16 -","4","1","BM1187","Borbulevych, O. Ya.; Shishkin, O. V.; Desenko, S. M.; Chernenko, V. N.; Orlov, V. D.","5-Amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","3","442","444","10.1107/S0108270197014443","","","0.71073","MoKα","","0.121","0.067","","0.312","0.172","","","","1.059","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007065","9.835","0.003","11.403","0.003","14.717","0.003","86.75","0.02","84.65","0.02","76.07","0.02","1594","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 Cl2 Fe Hg O P2 -","- C35 H28 Cl2 Fe Hg O P2 -","- C70 H56 Cl4 Fe2 Hg2 O2 P4 -","2","1","BM1195","McGinley, John; McKee, Vickie; McKenzie, Christine J.","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]mercury(II) Methanol Solvate","Acta Crystallographica Section C","1998","54","3","345","347","10.1107/S0108270197014832","","","0.71073","MoKα","","0.057","0.037","","","","0.078","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007066","8.9674","0.0008","9.0604","0.0009","11.8823","0.0011","90","","96.087","0.008","90","","959.97","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-5,8-dihydronaphthalene-1-ol","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","BM1196","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.","2-Acetyl-5,8-dihydronaphthalen-1-ol","Acta Crystallographica Section C","1998","54","3","370","371","10.1107/S0108270197015436","","","0.71073","MoKα","","0.077","0.04","","0.124","0.109","","","","0.881","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007067","11.4598","0.001","12.5892","0.0011","11.1347","0.0012","90","","97.996","0.007","90","","1590.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-piperazin-1,4-diyldimethylene-bis[6-(cyclohexyliminimethyl) -4-methylphenol]","","- C34 H48 N4 O2 -","- C34 H48 N4 O2 -","- C68 H96 N8 O4 -","2","0.5","BM1205","Thirumurugan, R.; Shanmuga Sundara Raj, S.; Shanmugam, G.; Chinnakali, Kandasamy; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Marappan, M.; Kandaswamy, M.","1,4-Bis[3-(<i>N</i>-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine","Acta Crystallographica Section C","1998","54","3","365","367","10.1107/S0108270197016934","","","0.71073","MoKα","","0.096","0.043","","0.124","0.105","","","","0.866","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007068","10.532","0.002","12.384","0.002","18.095","0.005","88.71","0.02","99.55","0.02","99.99","0.02","2292.1","0.9","296","","","","","","","","","","","6","P 1 1 2","P 2","3","","Tatraethylammonium Bis(tripenylphosphino)copper(I)(2,2-dicyano-1,1- ethylenedithiolate, (Et~4~N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]","","- C48 H50 Cu N3 P2 S2 -","- C48 H50 Cu N3 P2 S2 -","- C96 H100 Cu2 N6 P4 S4 -","2","1","BS1018","Su, Weiping; Hong, Maochun; Cao, Rong; Liu, Hanqin","Tetraethylammonium (2,2-Dicyano-1,1-ethylenedithiolato-<i>S</i>,<i>S</i>')bis(triphenylphosphino-<i>P</i>)copper(I), (Et~4~ N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]","Acta Crystallographica Section C","1998","54","3","337","338","10.1107/S0108270197009815","","","0.71073","MoKα","","","0.052","","","0.059","","","","","1.44","1.44","","","","","has coordinates","278246","2022-09-28","14:48:12",""
"2007069","18.123","0.004","7.924","0.002","17.732","0.004","90","","111.11","0.03","90","","2375.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraaza- cyclotetradecane Hydrochloride Trihydrate","","- C16 H44 Cl2 N4 O3 -","- C16 H44 Cl2 N4 O3 -","- C64 H176 Cl8 N16 O12 -","4","0.5","CF1175","Simonov, Yurii A.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Edward V.; Popkov, Yurii A.","Inclusion Complex of <i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane with Hydrochloride and Water","Acta Crystallographica Section C","1998","54","3","433","436","10.1107/S0108270197013292","","","1.5418","CuKα","","0.0392","0.0372","","0.1069","0.0951","","","","1.023","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007070","13.154","0.007","13.154","0.007","11.869","0.008","90","","90","","90","","2054","2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","[N-(1'-Phenylethyl)-2-azabicyclo[4,3,0]-6-allyl-8,8-dimethyl-3-oxonon -5-yl]-carboxylic acid","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","CF1188","Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine","6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone","Acta Crystallographica Section C","1998","54","3","401","403","10.1107/S0108270197015448","","","0.7107","MoKα","","0.04","0.031","","0.095","0.073","","","","1.083","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007071","9.3028","0.001","8.5506","0.0006","23.96","0.002","90","","97.636","0.008","90","","1889","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C88 H80 O16 S4 -","4","1","CF1196","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.","8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1998","54","3","367","368","10.1107/S0108270197014522","","","0.71073","MoKα","","0.05","0.04","","0.116","0.111","","","","1.048","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007072","8.9","0.002","11.508","0.002","7.7675","0.001","94.713","0.014","107.873","0.013","67.784","0.014","700.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","diphenylsulfoximidium hydrogen sulfate","","","- C12 H13 N O5 S2 -","- C12 H13 N O5.02 S2 -","- C24 H26 N2 O10.04 S4 -","2","1","CF1214","Longridge, John J.; Rawson, Jeremy M.; Feeder, Neil; Raithby, Paul R.","The First Structural Characterization of a Sulfoximidium Salt","Acta Crystallographica Section C","1998","54","3","398","399","10.1107/S0108270197016569","","","0.71069","MoKα","","0.052","0.0357","","0.0993","0.0896","","","","1.026","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007073","11.503","0.005","17.843","0.005","19.132","0.009","90","","106.51","0.03","90","","3765","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,2-di-t-butylamino-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cycltriphosphazene cobalt(II)chloride","","","- C28 H48 Cl2 Co N13 P3 -","- C28 H48 Cl2 Co N13 P3 -","- C112 H192 Cl8 Co4 N52 P12 -","4","1","DE1067","K. R. Justin Thomas","A Novel Cyclotriphosphazene Complex with a Short Transannular P···P Contact","Acta Crystallographica Section C","1998","54","3","331","333","10.1107/S0108270197015114","","","0.71073","MoKα","","0.0472","0.0327","","0.0893","0.077","","","","1.088","1.057","1.057","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007074","8.597","0.001","15.42","0.002","22.449","0.003","90","","90","0.02","90","","2976","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O5 S -","- C14 H11 N3 O5 S -","- C112 H88 N24 O40 S8 -","8","1","DU1181","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard","2-Acétamido-2',4'-dinitrodiphénylsulfure","Acta Crystallographica Section C","1998","54","3","391","392","10.1107/S0108270197013462","","","0.71069","MoKα","","0.0476","0.0438","","0.0897","0.0893","","","","0.968","1.292","1.292","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007075","8.7286","0.0006","8.0635","0.0006","12.261","0.0009","90","","105.79","0.001","90","","830.4","0.1","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) chloride","","","- C15 H26 Cl2 Cu N2 -","- C15 H26 Cl2 Cu N2 -","- C30 H52 Cl4 Cu2 N4 -","2","1","FG1370","Lopez, Susan; Muravyov, Igor; Pulley, Shon R.; Keller, Steven W.","Dichloro[({-})-sparteine-<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","1998","54","3","355","357","10.1107/S0108270197015886","","","0.7107","MoKα","","0.0487","0.0414","","","","0.0994","","","0.979","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007076","12.433","0.002","6.629","0.001","24.559","0.004","90","","93.38","0.01","90","","2020.6","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid","","- C22 H34 O3 -","- C22 H34 O3 -","- C88 H136 O12 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.188","0.073","","0.156","0.109","","","","1.05","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007077","12.696","0.003","6.168","0.002","26.784","0.007","90","","101.26","0.02","90","","2057.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one Monohydrate","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid Monohydrate","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.062","0.044","","0.131","0.106","","","","1.05","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007078","36.12","0.002","36.12","0.002","14.787","0.001","90","","90","","120","","16707.3","1.7","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H34 O2 -","- C41.9997 H33.4286 O1.99971 -","- C881.994 H702 O41.994 -","21","1.16667","FG1398","Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R.","1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with <i>Z</i>' = 7/6","Acta Crystallographica Section C","1998","54","3","412","415","10.1107/S0108270197016703","","","1.54184","CuKα","","0.083","0.057","","","0.059","","","","","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007079","6.8684","0.001","11.537","0.002","17.079","0.003","90","","90","","90","","1353.4","0.4","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cyclic Selenenamide","[3aR-(3aα,4α,7α,7aα)]-2-Acetylhexahydro-4,8,8-trimethyl-4,7-methano- 1,2-benzisoselenazol-3a(4H)-ol","","- C13 H21 N O2 Se -","- C13 H21 N O2 Se -","- C52 H84 N4 O8 Se4 -","4","1","FG1405","Back, Thomas G.; Dyck, Brian P.; Nan, Siqiao; Parvez, Masood","[3a<i>R</i>-(3aα,4α,7α,7aα)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol","Acta Crystallographica Section C","1998","54","3","425","427","10.1107/S0108270197015916","","","1.54178","CuKα","","0.037","0.033","","0.088","0.085","","","","1.113","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007080","12.346","0.003","5.244","0.003","14.362","0.002","90","","94.77","0.02","90","","926.6","0.6","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","FR1089","Okabe, Nobuo; Adachi, Yukari","1<i>H</i>-Indole-3-propionic Acid","Acta Crystallographica Section C","1998","54","3","386","387","10.1107/S010827019701593X","","","0.71069","MoKα","","","0.042","","","0.045","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007081","14.645","0.0009","17.9176","0.0012","8.152","0.0005","90","","114.188","0.001","90","","1951.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Na O12 Rh2 -","- C12 H19 Na O12 Rh2 -","- C48 H76 Na4 O48 Rh8 -","4","0.5","FR1090","Wei, Xinyi; Dickman, Michael H.; Pope, Michael T.","Sodium Hydrogen Hexaacetatodirhodate(II)","Acta Crystallographica Section C","1998","54","3","351","352","10.1107/S0108270197014662","","","0.71073","MoKα","","0.0412","0.033","","0.069","0.0651","","","","1.16","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007082","9.831","0.003","9.817","0.002","13.488","0.004","90","","107.11","0.02","90","","1244.1","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aα,7aα)-Chloromethyl-8,8-dichloro-2,3-dihydro-5-methoxy-3a,7a-methano- 1H-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","HA1196","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone","Acta Crystallographica Section C","1998","54","3","378","380","10.1107/S0108270197014893","","","1.5418","CuKα","","0.062","0.05","","0.145","0.119","","","","1.152","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007083","6.383","0.002","23.443","0.004","8.031","0.002","90","","107.92","0.02","90","","1143.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aα,8aα)-6,9,9-Trichloro-2,3,5,8-tetrahydro-1H,4H-3a,8a-methanoazulen-5-one","","- C11 H11 Cl3 O -","- C11 H11 Cl3 O -","- C44 H44 Cl12 O4 -","4","1","HA1196","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone","Acta Crystallographica Section C","1998","54","3","378","380","10.1107/S0108270197014893","","","1.5418","CuKα","","0.059","0.042","","0.211","0.188","","","","0.91","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007084","10.756","0.002","7.069","0.001","10.16","0.002","90","","91.9","0.03","90","","772.1","0.2","295","0.1","295","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-Bis(3,5-dioxopiperazine-1-yl)hexane","","- C14 H22 N4 O4 -","- C14 H22 N4 O4 -","- C28 H44 N8 O8 -","2","0.5","HA1201","Liu, Q.; Zhang, S.-W.; Shao, M.-C.","Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione)","Acta Crystallographica Section C","1998","54","3","439","440","10.1107/S0108270197014844","","","0.71073","MoKα","","0.087","0.058","","0.103","0.053","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007085","9.253","0.008","12.88","0.02","12.455","0.01","90","","109.69","0.07","90","","1398","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Br4 I2 Pd S6 -","- C12 H24 Br4 I2 Pd S6 -","- C24 H48 Br8 I4 Pd2 S12 -","2","0.5","HA1202","Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions","Acta Crystallographica Section C","1998","54","3","295","298","10.1107/S0108270197014212","","","0.71073","MoKα","","0.1236","0.0935","","","","0.2882","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007086","14.651","0.002","9.3117","0.0007","16.7648","0.0011","90","","93.468","0.01","90","","2283","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H20 Br4 I2 Pd S4 -","- C10 H20 Br4 I2 Pd S4 -","- C40 H80 Br16 I8 Pd4 S16 -","4","0.5","HA1202","Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions","Acta Crystallographica Section C","1998","54","3","295","298","10.1107/S0108270197014212","","","0.71073","MoKα","","0.0523","0.0392","","0.1102","0.0903","","","","1.055","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007087","16.885","0.006","18.689","0.004","9.452","0.003","90","","94.05","0.05","90","","2975.3","1.6","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H32 I6 N6 Ni -","- C15 H32 I6 N6 Ni -","- C60 H128 I24 N24 Ni4 -","4","1","HA1203","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","299","302","10.1107/S0108270197014200","","","0.71073","MoKα","","0.0429","0.0377","","","","0.0948","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007088","7.787","0.007","9.173","0.009","9.382","0.006","99.03","0.09","101.14","0.09","107.43","0.1","610.6","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H26 I6 N4 Pd -","- C11 H22 I6 N4 Pd -","- C11 H22 I6 N4 Pd -","1","0.5","HA1203","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","299","302","10.1107/S0108270197014200","","","0.71073","MoKα","","0.061","0.0503","","0.1133","0.1044","","","","1.154","1.145","1.145","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007089","7.597","0.002","7.422","0.001","9.466","0.002","90","","95.47","0.03","90","","531.31","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-vanadium(IV) hydrogenphosphat dihydrat","α-oxovanadium(IV)hydrogen phosphate dihydrate","","- H5 O7 P V -","- H5 O7 P V -","- H20 O28 P4 V4 -","4","1","JZ1223","Horst Worzala; Goetze, Thomas; Fratzky, Dietmar; Manfred Meisel","Redetermination of Monoclinic VOHPO~4~.2H~2~O","Acta Crystallographica Section C","1998","54","3","283","285","10.1107/S0108270197014017","","","0.71073","MoKα","","0.0213","0.0178","","0.0464","","0.0464","","","1.119","","","1.119","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007090","11.708","0.002","8.991","0.002","14.994","0.002","90","","106.46","0.01","90","","1513.7","0.5","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mn N2 O6 -","- C12 H12 Mn N2 O6 -","- C48 H48 Mn4 N8 O24 -","4","1","JZ1229","Okabe, Nobuo; Koizumi, Makiko","Diaquabis(2-pyridinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)","Acta Crystallographica Section C","1998","54","3","288","290","10.1107/S0108270197016326","","","0.71069","MoKα","","","0.036","","","0.046","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007091","6.7233","0.0008","8.8573","0.0008","17.0033","0.0012","99.151","0.008","94.253","0.01","92.019","0.007","995.77","0.17","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Trimethylenedipyridinium (1+) 1,3,5-benzenetricarboxylate (1-)","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","JZ1242","Ferguson, George; Glidewell, Christopher; McManus, Gordon D.; Meehan, Paul R.","A Perforated Molecular Tape in the 1:1 Salt of 4,4'-Trimethylenedipyridine and 1,3,5-Benzenetricarboxylic acid","Acta Crystallographica Section C","1998","54","3","418","421","10.1107/S0108270197012110","","","0.7107","MolybdenumKα","","0.0968","0.0509","","","","0.1227","","","","","","1.028","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007092","7.9688","0.0009","9.9716","0.001","17.2571","0.0013","90","","98.592","0.009","90","","1355.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimeric (imidazole)(N-salicylidene-R,S-alaninato)copper(II)","","- C13 H13 Cu N3 O3 -","- C13 H13 Cu N3 O3 -","- C52 H52 Cu4 N12 O12 -","4","1","JZ1251","Warda, Salam A.","Dimeric (Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-<i>rac</i>-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","3","304","306","10.1107/S0108270197014856","","","0.71073","MoKα","","0.0675","0.0413","","","","0.0969","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007093","7.775","0.0005","8.1044","0.0007","11.624","0.0009","70.474","0.008","81","0.008","89.478","0.008","681.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ, μ'-Pyrazine-bis(N-salicylidene-R,S-alaninato-copper(II)) tetrahydrate","","- C24 H30 Cu2 N4 O10 -","- C24 H30 Cu2 N4 O10 -","- C24 H30 Cu2 N4 O10 -","1","0.5","JZ1252","Warda, Salam A.","Polymeric μ,μ'-Pyrazine-<i>N</i>,<i>N</i>'-bis(<i>N</i>-salicylidene-<i>R</i>,<i>S</i>-alaninato)copper(II) Tetrahydrate","Acta Crystallographica Section C","1998","54","3","302","304","10.1107/S0108270197015783","","","0.71073","MoKα","","","0.0366","","","","0.0821","","","","","","1.017","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007094","11.801","0.002","13.206","0.003","21.697","0.004","90","","103.144","0.015","90","","3292.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Bis[(2-Diphenylphosphinoethyl)dimethylstannyl]platinum(II)","","- C32 H40 P2 Pt Sn2 -","- C32 H40 P2 Pt Sn2 -","- C128 H160 P8 Pt4 Sn8 -","4","1","JZ1255","Baumeister, Ute; Hartung, Helmut; Schulz, Torsten; Weichmann, Horst","<i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)","Acta Crystallographica Section C","1998","54","3","333","335","10.1107/S0108270197014029","","","0.71073","MoKα","","0.0411","0.0285","","0.0712","0.0673","","","","1.085","1.138","1.138","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007095","6.781","0.001","15.53","0.003","21.179","0.004","90","","90","","90","","2230.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine","","- C27 H37 N O2 -","- C27 H37 N O2 -","- C108 H148 N4 O8 -","4","1","KA1249","Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias","A Steroidal Dihydro-1,3-oxazine Derivative","Acta Crystallographica Section C","1998","54","3","372","373","10.1107/S0108270197016338","","","0.71073","MoKα","","0.046","0.04","","","","0.099","","","","","","1.116","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007096","6.4376","0.0008","9.744","0.0009","10.8177","0.001","92.328","0.008","96.772","0.011","99.011","0.011","664.31","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","Tetramethylsulfate","1,3,2-Dioxathiepane, 2,2-dioxide","","- C4 H8 O4 S -","- C4 H8 O4 S -","- C16 H32 O16 S4 -","4","2","KA1250","Krüger, Carl; Kessler, Magnus; Six, Christian; Leitner, Walter","A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide","Acta Crystallographica Section C","1998","54","3","389","390","10.1107/S010827019701634X","","","0.71069","MoKα","","0.081","0.042","","0.115","0.096","","","","1.019","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007097","8.955","0.004","9.702","0.005","14.003","0.005","84.72","0.03","85","0.03","68.74","0.03","1127.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Isocyanato)bis(2,2'-bipyridine)copper(II) Tricyanomethanide","","- C25 H16 Cu N8 O -","- C25 H16 Cu N8 O -","- C50 H32 Cu2 N16 O2 -","2","1","KA1256","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1998","54","3","313","315","10.1107/S0108270197014510","","","0.71073","MoKα","","0.163","0.033","","0.1","","0.07","","","0.583","","","0.691","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007098","8.5162","0.0012","8.8856","0.0014","16.625","0.002","81.103","0.011","82.321","0.014","71.925","0.011","1176.6","0.3","133","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","2","KA1257","Bats, Jan W.; Hashmi, A. Stephen K.","<i>meso</i>-1-[3-(1-Hydroxy-3-butynyl)phenyl]-3-butyn-1-ol","Acta Crystallographica Section C","1998","54","3","376","378","10.1107/S0108270197016351","","","0.71073","MoKα","","","0.06","","","0.074","","","","","2.585","2.585","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007099","9.3972","0.0001","12.3917","0.0001","13.7857","0.0002","90","","90","","90","","1605.31","0.03","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bromohydridomethyl-bis-(4-Methylpyridinium)-siliciumbromid","","- C13 H18 Br2 N2 Si -","- C13 H18 Br2 N2 Si -","- C52 H72 Br8 N8 Si4 -","4","1","KA1258","Hensen, Karl; Kettner, Markus; Bolte, Michael","Bromo(hydrido)methylbis(4-methylpyridine-<i>N</i>)silicon Bromide at 173K","Acta Crystallographica Section C","1998","54","3","358","359","10.1107/S0108270197015801","","","0.71073","MoKα","","0.033","0.024","","0.043","0.042","","","","1.001","1.033","1.033","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007100","12.9274","0.0001","10.7353","0.0001","20.1194","0.0002","90","","92.849","0.001","90","","2788.71","0.04","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 Cl N6 -","- C36 H25 Cl N6 -","- C144 H100 Cl4 N24 -","4","1","KA1259","Hensen, Karl; Gebhardt, Frank; Bolte, Michael","1,10-Phenanthrolin-1-ium Chloride Bis(1,10-phenanthroline) Solvate at 143K","Acta Crystallographica Section C","1998","54","3","359","361","10.1107/S0108270197016363","","","0.71073","MoKα","","0.0963","0.0539","","0.1212","0.1053","","","","1.063","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007101","26.094","0.004","9.717","0.002","6.325","0.002","90","","90","","90","","1603.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R)-4,5-dihydro-4,4-dimethyl-3(1H)-2-oxofuran-3-yl(2S)-2-(2,3-dihydro -1,4-benzodioxin-6-yl)propionate","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","LN1022","M. Teresa Vázquez,; M. Dolors Pujol; Xavier Solans","(3<i>S</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2<i>S</i>)-2-(1,4-Benzodioxin-6-yl)propionate","Acta Crystallographica Section C","1998","54","3","428","430","10.1107/S0108270197015618","","","0.71069","MoKα","","0.0872","0.0491","","0.1593","0.1086","","","","0.949","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007102","8.897","0.002","11.242","0.004","17.13","0.02","104.46","0.02","93.79","0.02","90.3","0.02","1655","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Piperazinium (2,6-dichlorophenylamino)phenylacetate dihydrate","","- C32 H36 Cl4 N4 O6 -","- C32 H36 Cl4 N4 O6 -","- C64 H72 Cl8 N8 O12 -","2","1","LN1032","Carlo Castellari; Stefano Ottani","Stereochemistry of Anti-Inflammatory Drugs. VI. Piperazinium 2-(2,6-Dichlorophenylamino)phenylacetate Dihydrate, (H~2~PZ)<i>D</i>~2~.2H~2~O","Acta Crystallographica Section C","1998","54","3","415","417","10.1107/S010827019701490X","","","0.71069","MoKα","","0.1017","0.0409","","0.1154","0.0913","","","","1.012","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007103","10.153","0.003","12.228","0.003","14.166","0.003","100.284","0.014","98.644","0.011","112.866","0.01","1547","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 B F4 N7 O3 Zn -","- C32 H30 B F4 N7 O3 Zn -","- C64 H60 B2 F8 N14 O6 Zn2 -","2","1","MU1311","Fenton, David E.; Adams, Harry; He, Qing-Yu","(Benzoato-<i>O</i>){tris[(2-benzimidazolyl-<i>N</i>^3^)methyl]amine-<i>N</i>}zinc(II) Tetrafluoroborate Methanol Solvate","Acta Crystallographica Section C","1998","54","3","286","287","10.1107/S0108270197015941","","","0.71073","MoKα","","0.0723","0.0567","","0.1528","0.1475","","","","0.986","1.125","1.125","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007104","10.441","0.001","10.772","0.001","11.079","0.001","87.95","0.01","75.16","0.01","62.9","0.01","1067.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-(3,4-dichloro)phenyl-4-(2-thiophenyl)-5,5-dicarbethoxy pyrrolidine-2-one","","- C20 H19 Cl2 N O5 S -","- C20 H19 Cl2 N O5 S -","- C40 H38 Cl4 N2 O10 S2 -","2","1","MU1338","Ray, Jayanta Kumar; Chakraborty, Arindam; Adhikari, Sujit Das; Chinnakali, Kandasamy; Fun, Hoong-Kun","Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate","Acta Crystallographica Section C","1998","54","3","368","370","10.1107/S0108270197016715","","","0.71073","MoKα","","0.091","0.053","","0.141","0.119","","","","1.015","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007105","9.6642","0.0006","9.5221","0.0006","16.1965","0.0004","90","","107.036","0.002","90","","1425.06","0.13","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrilediaquotrichloroerbium(III) Acetonitrile Solvate.","","- C6 H13 Cl3 Er N3 O2 -","- C6 H13 Cl3 Er N3 O2 -","- C24 H52 Cl12 Er4 N12 O8 -","4","1","MU1345","Errington, William; Spry, Marcus P.; Willey, Gerald R.","Bis(acetonitrile-<i>N</i>)diaquatrichloroerbium(III) Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","3","290","291","10.1107/S0108270197015163","","","0.71073","MoKα","","0.034","0.024","","0.052","0.05","","","","0.985","1.023","1.023","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007106","8.082","0.002","12.554","0.002","16.724","0.005","74.02","0.02","85.21","0.03","89.39","0.02","1625.4","0.7","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 N P Pd -","- C14 H16 Cl2 N P Pd -","- C56 H64 Cl8 N4 P4 Pd4 -","4","2","MU1349","Spicer, Mark D.","<i>cis</i>-Dichloro(2-diphenylphosphinoethylamine-<i>N</i>,<i>P</i>)palladium(II)","Acta Crystallographica Section C","1998","54","3","308","310","10.1107/S0108270197016752","","","0.71069","MoKα","","0.065","0.042","","0.039","0.036","","","","","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007107","5.8839","0.0011","9.104","0.002","9.205","0.002","92.6","0.02","101.697","0.015","107.608","0.014","457.21","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","trans-Diperchlorato-bis(pyridine-2-carboxamide-N',O)copper(II)","","- C12 H12 Cl2 Cu N4 O10 -","- C12 H12 Cl2 Cu N4 O10 -","- C12 H12 Cl2 Cu N4 O10 -","1","0.5","MU1350","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>trans</i>-Diperchloratobis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","322","324","10.1107/S010827019701487X","","","0.71073","MoKα","","0.0404","0.0362","","","","0.0947","","","","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007108","17.491","0.002","12.428","0.001","19.081","0.002","90","","96.18","0.01","90","","4123.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-(μ-bis(diphenylphosphino)methane) -3-(trimethylphosphite-P)triangulotriruthenium(0)","","- C37 H31 O12 P3 Ru3 -","- C37 H31 O12 P3 Ru3 -","- C148 H124 O48 P12 Ru12 -","4","1","MU1351","Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Mohmad Ashari,Dewiyana; Fun, Hoong-Kun; Abdul Razak, Ibrahim","1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[μ-bis(diphenylphosphino)methane-<i>P</i>',<i>P</i>'']-3-(trimethylphosphite-<i>P</i>)triangulotriruthenium(0)","Acta Crystallographica Section C","1998","54","3","329","331","10.1107/S0108270197014881","","","0.71073","MoKα","","0.0337","0.0274","","0.0747","0.0722","","","","1.029","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007109","13.849","0.001","13.94","0.001","22.024","0.002","95.77","0.01","99.45","0.01","91.51","0.01","4168.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H94 Mo12 N15 O47 P5 Si -","- C30 H92 Mo12 N15 O46.5 P5 Si -","- C60 H184 Mo24 N30 O93 P10 Si2 -","2","1","MU1354","Fun, Hoong-Kun; Chinnakali, Kandasamy; Yip, Boon-Chuan; Niu, Jing-Yang; Wang, Jing-Ping; You, Xiao-Zeng","A Dihydrate Complex of Molybdosilicic Acid and Hexamethylphosphoramide, [{(CH~3~)~2~N}~3~PO]~5~[H~4~SiMo~12~O~40~].2H~2~O","Acta Crystallographica Section C","1998","54","3","327","329","10.1107/S0108270197015850","","","0.71073","MoKα","","0.065","0.044","","0.125","0.116","","","","0.961","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007110","8.839","0.003","13.858","0.003","37.155","0.012","90","","92.51","0.03","90","","4547","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexacarbonyl-1κ^3^C,2κ^3^C-μ~2~-(4-methylbenz-1-al)hydrazone-1:2κ^2^N^1^- -N^1^-[5-methyl-2(2,3-η)-benzylidene-1κC^3^]-di-iron","","- C22 H16 Fe2 N2 O6 -","- C22 H16 Fe2 N2 O6 -","- C176 H128 Fe16 N16 O48 -","8","2","MU1358","Zachara, Janusz; Zimniak, Andrzej","An Azomethylene Carbonyliron Complex from 4,4'-Dimethylbenzaldazine, μ~2~,η^2^,σ^3^-(4-Methylbenz-1-al)hydrazone-<i>N</i>^1^-(5-methylbenzylidene)hexacarbonyldiiron","Acta Crystallographica Section C","1998","54","3","353","355","10.1107/S0108270197015990","","","0.71073","MoKα","","0.0525","0.0327","","0.0899","0.0741","0.0805","","","1.144","1.104","1.104","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007111","9.72","0.002","9.735","0.002","10.111","0.002","93.12","0.02","112.8","0.02","108.05","0.02","821.8","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Al Cl N -","- C16 H21 Al Cl N -","- C32 H42 Al2 Cl2 N2 -","2","1","MU1362","Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.","Chloro(dibenzylamine-<i>N</i>)dimethylaluminium(III)","Acta Crystallographica Section C","1998","54","3","335","337","10.1107/S010827019701679X","","","0.71069","MoKα","","0.077","0.036","","0.048","0.043","","","","","1.614","1.614","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007112","8.907","0.001","10.042","0.002","11.927","0.002","90","","103.64","0.01","90","","1036.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu N4 O10 -","- C18 H22 Cu N4 O10 -","- C36 H44 Cu2 N8 O20 -","2","0.5","MU1367","Yi Wang; Helen Stoeckli-Evans","Diaquabis(5-methoxycarbonyl-3,6-dimethylpyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","306","308","10.1107/S0108270197015643","","","0.71073","MoKα","","0.101","0.045","","0.116","0.089","","","","1.144","1.131","1.131","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007113","7.3941","0.0005","10.532","0.001","25.684","0.002","90","","90.585","0.005","90","","2000","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl3 Co N4 O3 -","- C16 H28 Cl3 Co N4 O3 -","- C64 H112 Cl12 Co4 N16 O12 -","4","1","MU1372","Edwards, Karen-Leigh T.; Alcock, Nathaniel W.; Busch, Daryle H.","The Monomeric Form of a Cobalt(III) Complex of a Tetraaza Macrocyclic Ligand with a Dangling Carboxylate Arm","Acta Crystallographica Section C","1998","54","3","340","342","10.1107/S0108270197015175","","","0.71073","MoKα","","0.0934","0.0521","","0.0996","0.0866","","","","1.06","1.122","1.122","","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2007114","15.896","0.002","11.1691","0.0005","10.365","0.001","90","","90","","90","","1840.2","0.3","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chloro[N,N',N''-trimethyl-1,5,9-triazacyclododecane] Zinc(II) Hexafluorophosphate.","","- C12 H27 Cl F6 N3 P Zn -","- C12 H27 Cl F6 N3 P Zn -","- C48 H108 Cl4 F24 N12 P4 Zn4 -","4","1","MU1373","Alcock, Nathaniel W.; Clase, Howard J.; Siltchenko, Svetlana; Rybak-Akimova, Elena; Busch, Daryle H.","Chloro(<i>N</i>,<i>N</i>',<i>N</i>''-trimethyl-1,5,9-triazacyclododecane-κ^3^<i>N</i>)zinc(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","3","338","340","10.1107/S0108270197015187","","","0.71073","MoKα","","0.0189","0.0171","","","","0.0427","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007115","22.935","0.004","27.125","0.003","8.332","0.001","90","","90","","90","","5183.4","1.2","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ambroxol Theophylline-7-Acetate Salt Monohydrate","Cyclohexanol-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-trans -mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6,dioxo-7H-purine-7-acetate) (salt)","","- C22 H30 Br2 N6 O6 -","- C22 H30 Br2 N6 O6 -","- C176 H240 Br16 N48 O48 -","8","1","NA1242","Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea","Ambroxol Theophylline-7-acetate Salt Monohydrate","Acta Crystallographica Section C","1998","54","3","407","410","10.1107/S0108270196009328","","","0.7107","MoKα","","0.174","0.086","","0.19","","0.143","","","1.187","","","1.317","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007116","7.089","0.001","9.648","0.002","9.798","0.001","94.12","0.01","108.04","0.01","101.22","0.02","618.71","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","NA1306","Nicoló, Francesco; Panzalorto, Manuela; Scopelliti, Rosario; Grassi, Giovanni; Risitano, Francesco","5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine","Acta Crystallographica Section C","1998","54","3","405","407","10.1107/S0108270197014972","","","0.71073","MoKα","","0.082","0.034","","0.081","0.073","","","","0.748","1.02","1.02","","","","","has coordinates","211412","2020-10-21","18:00:00",""
"2007117","9.906","0.003","10.635","0.003","8.126","0.001","90.56","0.02","94.84","0.03","116.49","0.02","762.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Cyclohexanone-2,4,4,6-tetramethylester","","- C14 H18 O9 -","- C14 H18 O9 -","- C28 H36 O18 -","2","1","OA1039","Hughes, Andrew B.; Mackay, Maureen F.","Cyclohexanone-2,4,4,6-tetramethyl Ester","Acta Crystallographica Section C","1998","54","3","380","382","10.1107/S0108270197014984","","","1.5418","CuKα","","0.047","0.044","","0.124","0.121","","","","1.066","1.092","1.092","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007118","12.335","0.003","14.052","0.001","13.492","0.003","90","","91.68","0.01","90","","2337.6","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C104 H100 N4 O16 S4 -","4","2","QA0029","Berger, Bernd; Bolte, Michael","(1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one","Acta Crystallographica Section C","1998","54","3","IUC9800006","","10.1107/S010827019809979X","","","1.5418","CuKα","","0.0311","0.0302","","","","0.0828","","","","","","1.058","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007119","7.086","0.002","8.329","0.003","11.655","0.005","71.22","0.05","85.53","0.03","86.14","0.04","648.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","efaroxan hydrochloride","[2-[2-ethyl-2,3-dihydro-2-benzofuranyl]]-2-imidazolinium chloride","","- C13 H17 Cl N2 O -","- C13 H17 Cl N2 O -","- C26 H34 Cl2 N4 O2 -","2","1","QB0028","Belin, Claude; Pena, Richard; Chauvet, Alain; Ribet, Jean Paul; Maurel, Jean Louis","Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride","Acta Crystallographica Section C","1998","54","3","IUC9800004","","10.1107/S0108270198099818","","","0.7109","MoKα","","0.211","0.0504","","","","0.1512","","","","","","0.855","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007120","9.5229","0.0011","9.5229","0.0011","14.736","0.002","90","","90","","90","","1336.3","0.3","170","1","170","1","","","","","","","","3","P 43","P 4cw","78","O-methyldehydronorcacalol","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","QB0029","Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.","<i>O</i>-Methyldehydronorcacalol","Acta Crystallographica Section C","1998","54","3","IUC9800005","","10.1107/S0108270198099806","","","0.71069","MoKα","","0.0844","0.0377","","","","0.1065","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007121","5.057","0.002","11.046","0.002","12.531","0.002","88.525","0.014","87.03","0.02","79.29","0.02","686.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","QC0001","Suchada Chantrapromma; Narintha Chawaluechai; Chatchanok Karalai; Kan Chantrapromma; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak","2,3-Dihydro-6,7-dimethyl-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","3","IUC9800007","","10.1107/S0108270198099788","","","0.71073","MoKα","","0.0812","0.0521","","0.1658","0.151","","","","1.024","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007122","18.331","0.004","3.678","0.003","17.052","0.001","90","","98.43","0.02","90","","1137.2","1","292","","292","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-(nitramino)pyridine","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C40 H40 N24 O16 -","8","1","SK1128","Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir","2-(Nitroamino)pyridine","Acta Crystallographica Section C","1998","54","3","441","442","10.1107/S0108270197015503","","","0.71073","MoKα","","","0.043","","","","0.071","","","","","","1.232","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2007123","8.981","0.004","9.72","0.003","14.451","0.004","104.83","0.03","92.42","0.03","110.62","0.03","1129.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese tris(ethylendiamine) ethylenediammonium tetraselenoantimonat","","","- C8 H33 Mn N8 Sb Se4 -","- C8 H33 Mn N8 Sb Se4 -","- C16 H66 Mn2 N16 Sb2 Se8 -","2","1","SK1148","Wendland, Frank; Näther, Christian; Schur, Michael; Bensch, Wolfgang","H~2~N(CH~2~)~2~NH~3~^+^.[Mn{H~2~N(CH~2~)~2~NH~2~}~3~]^2+^.[Sb Se~4~]^3{-^}","Acta Crystallographica Section C","1998","54","3","317","319","10.1107/S0108270197014030","","","0.71073","MoKα","","0.0786","0.0428","","0.1194","0.1073","","","","0.991","1.057","1.057","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007124","14.458","0.001","7.569","0.001","12.768","0.001","90","","105.8","0.01","90","","1344.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne","","- C22 H42 O2 Si2 -","- C22 H42 O2 Si2 -","- C44 H84 O4 Si4 -","2","0.5","SK1151","Wicki, Andreas; Grüschow, Sabine; Lüthi, Therese; von Grothe, Julia; Capelli, Silvia; Hauser, Jürg; Keese, Reinhart","<i>meso</i>-3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-octadiyne","Acta Crystallographica Section C","1998","54","3","382","384","10.1107/S0108270197016855","","","0.71073","MoKα","","0.067","0.051","","","","0.154","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007125","6.973","0.001","7.678","0.001","14.472","0.001","90","","92.83","0.003","90","","773.87","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(αS,1S,2R)-2-methyl-1(α-methylbenzylamino)-cyclohexanecarboxamide","","- C16 H24 N2 O -","- C16 H24 N2 O -","- C32 H48 N4 O2 -","2","1","SK1153","Volk, Franz-Josef; Mattern, Günter; Weckert, Edgar; Frahm, August W.","The Absolute Configuration of <i>cis</i>-(α<i>S</i>,1<i>S</i>,2<i>R</i>)-2-Methyl-1-(α-methylbenzylamino)cyclohexanecarboxamide","Acta Crystallographica Section C","1998","54","3","387","389","10.1107/S0108270197013917","","","0.71073","MoKα","","0.0361","0.0361","","0.0387","0.0387","","","","1.16","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007126","9.545","0.001","32.428","0.005","6.81","0.001","90","","90","","90","","2107.9","0.5","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6S)-exo-2-acetoxy-3,3,endo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0872","0.0555","","","","0.1586","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007127","14.714","0.001","11.001","0.001","14.736","0.002","90","","118.527","0.008","90","","2095.7","0.4","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","2","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0504","0.0478","","","","0.1329","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007128","11.5461","0.0011","12.2484","0.0007","7.169","0.005","90","","102.487","0.004","90","","989.9","0.7","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1R,2S,4R,5S)-exo-2-acetoxy-3,3-dimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0438","0.043","","","","0.1088","","","","","","1.084","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007129","12.806","0.001","22.332","0.003","7.2582","0.001","90","","90","","90","","2075.7","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6R)-exo-2-acetoxy-3,3,exo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0408","0.0394","","","","0.1027","","","","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007130","15.58","0.001","12.889","0.001","6.236","0.0001","90","","99.051","0.004","90","","1236.66","0.13","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1S,2S,4R,5R,6S)-exo-2-acetoxy-endo-6-(3-butenyl)-3,3,exo-6- trimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.5418","CuKα","","0.0505","0.0491","","","","0.1298","","","","","","1.081","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007131","5.929","0.001","9.131","0.001","11.716","0.001","107.94","0.01","96.29","0.01","93.88","0.01","596.35","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","OLPADRONATE","Monosodium 3(N,N-dimethyl)-1-hydroxy-1,1'-bisphosphonate, hydrate (Olpadronate)","","- C5 H16 N Na O8 P2 -","- C5 H16 N Na O8 P2 -","- C10 H32 N2 Na2 O16 P4 -","2","1","SX1043","Vega, Daniel; Baggio, Ricardo; Piro, Oscar","Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate)","Acta Crystallographica Section C","1998","54","3","324","327","10.1107/S0108270197013553","","","0.71073","MoKα","","0.0903","0.0419","","0.1253","0.0956","","","","1.1","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007132","7.516","0.001","12.962","0.002","8.55","0.001","90","","97.78","0.01","90","","825.29","0.19","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","TA1190","Crisp, Geoffrey T.; Jiang, Yin-Lin; Tiekink, Edward R.T.","2-(<i>N</i>-Acetylamino)pent-4-ynamide","Acta Crystallographica Section C","1998","54","3","436","437","10.1107/S0108270197016429","","","0.7107","MoKα","","","0.0441","","","0.0511","","","","","2.151","2.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007133","6.8829","0.0002","6.9979","0.0003","7.8655","0.0003","111.529","0.001","95.615","0.002","106.786","0.002","328.45","0.02","153","2","153","2","","","","","","","","3","P -1","-P 1","2","cyclotene hydrate","2-Hydroxy-3-methylcyclopent-2-enone hydrate","","- C6 H10 O3 -","- C6 H10 O3 -","- C12 H20 O6 -","2","1","TA1197","Fayle, Siân E.; Gerrard, Juliet A.; Nursten, Harry E.; Steel, Peter J.","Cyclotene Hydrate, C~6~H~8~O~2~.H~2~O","Acta Crystallographica Section C","1998","54","3","404","405","10.1107/S0108270197013632","","","0.71073","MoKα","","","0.0445","","","","0.1156","","","","","","1.135","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007134","8.54","0.003","9.536","0.002","15.819","0.006","93.31","0.02","94.12","0.03","90.67","0.02","1282.6","0.7","122","0.5","122","0.5","","","","","","","","5","P -1","-P 1","2","","Bis[tetra-n-butylammonium]Bis[(4-cyanophenyl)dithocarbimato]Nickel(II)","","- C48 H80 N6 Ni S4 -","- C48 H80 N6 Ni S4 -","- C48 H80 N6 Ni S4 -","1","0.5","AB1504","Steen B. Schougaard; Thomas Pittelkow; Frederik Krebs; Sine Larsen; Henning O. Sørensen; Daniel R. Greve; Thomas Bjørnholm","Bis(tetra-<i>n</i>-butylammonium) Bis[(4-cyanophenyl)dithiocarbimato(2‒)-<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1998","54","4","470","473","10.1107/S0108270197016971","","","0.71073","MoKα","","0.0465","0.0352","","0.0621","0.0607","","","","2.474","2.639","2.639","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007135","13.727","0.001","13.727","0.001","8.13","0.001","90","","90","","90","","1531.9","0.2","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2,3-diiodo-2-buten-1,4-diol","","- C4 H6 I2 O2 -","- C4 H6 I2 O2 -","- C32 H48 I16 O16 -","8","0.5","AB1505","Løiten, Marianne Sveaas; Bjørn Dalhus; Fjαertoft, Berit; Klaveness, Jo","<i>trans</i>-2,3-Diiodo-2-butene-1,4-diol","Acta Crystallographica Section C","1998","54","4","555","557","10.1107/S0108270197014406","","","0.71073","MoKα","","0.0315","0.0271","","0.0531","0.0522","","","","2.239","2.299","2.299","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007136","7.424","0.004","14.303","0.003","26.51","0.002","90","","90","","90","","2815","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","AB1510","Elerman, Yalc̨in; Elmali, Ayhan","2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section C","1998","54","4","529","531","10.1107/S0108270197013991","","","0.71069","MoKα","","0.0371","0.0338","","0.0902","0.0876","","","","1.083","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007137","10.8018","0.0009","12.5581","0.0009","10.9691","0.0009","90","","91.052","0.007","90","","1487.7","0.2","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 N2 O P2 -","- C6 H14 Cl4 N2 O P2 -","- C24 H56 Cl16 N8 O4 P8 -","4","1","AB1517","Hökelek, Tuncer; Kılıç, Zeynel; Dal, Hakan","<i>P</i>,<i>P</i>-Dichloro-<i>N</i>-(dichlorophosphinoyl)-<i>P</i>-(diisopropylamino)monophosphazene","Acta Crystallographica Section C","1998","54","4","523","525","10.1107/S0108270197016983","","","0.71073","MoKα","","","0.045","","","0.063","","","","","2.15","2.15","","","","","has coordinates","278320","2022-10-03","12:00:49",""
"2007138","10.446","0.001","11.045","0.001","11.316","0.001","64.24","0.01","79.2","0.01","85.35","0.01","1155","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","1,5,8,12-Tetrathiaspiro[6.6]tridecane","","- C9 H16 S4 -","- C9 H16 S4 -","- C36 H64 S16 -","4","2","AB1520","Barrot, Mireia; Fabrias, Gemma; Camps, Francisco; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar","1,5,8,12-Tetrathiaspiro[6.6]tridecane","Acta Crystallographica Section C","1998","54","4","533","534","10.1107/S0108270197015138","","","0.71069","MoKα","","0.0355","0.0294","","","","0.0876","","","","","","1.122","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007139","15.747","0.001","15.747","0.001","13.148","0.001","90","","90","","90","","3260.3","0.4","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H104 Cl6 Mn N4 -","- C68 H104 Cl6 Mn N4 -","- C136 H208 Cl12 Mn2 N8 -","2","0.25","BK1313","Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.","Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride","Acta Crystallographica Section C","1998","54","4","475","476","10.1107/S0108270197005842","","","0.71073","MoKα","","0.0466","0.035","","0.089","0.0842","","","","1.06","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007140","11.2065","0.0005","6.0273","0.0004","12.7077","0.0005","90","","105.1","0.03","90","","828.7","0.14","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","BK1345","Moreno-Fuquen, Rodolfo; Gambardella, Maria Teresa do Prado; Valderrama-N, Jaime","2:1 Complex of 3-Picoline <i>N</i>-Oxide and Hydroquinone","Acta Crystallographica Section C","1998","54","4","515","517","10.1107/S0108270197016260","","","0.71073","MoKα","","0.0481","0.04","","0.1374","0.123","","","","1.022","0.988","0.988","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007141","10.3139","0.0009","7.3105","0.0005","16.735","0.001","90","","90","","90","","1261.82","0.16","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","0.5","BK1347","Garcia, J. Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","4-Nitro-1-(trimethylsilylethynyl)benzene","Acta Crystallographica Section C","1998","54","4","489","491","10.1107/S0108270197012407","","","1.54184","CuKα","","","0.046","","","0.051","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007142","12.004","0.002","19.108","0.002","20.328","0.002","90","","90","","90","","4662.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ferrocenylbenzonitrile","3,6-Dimethoxy-2-[α-ferrocenyl-α-(2',5'-dimethoxy- phenyl)]methylbenzonitrile","","- C28 H27 Fe N O4 -","- C28 H27 Fe N O4 -","- C224 H216 Fe8 N8 O32 -","8","1","BK1350","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile","Acta Crystallographica Section C","1998","54","4","462","464","10.1107/S010827019701442X","","","0.71073","MoKα","","0.081","0.043","","0.102","0.086","","","","1.02","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007143","7.5011","0.0014","7.1875","0.0013","24.917","0.002","90","","92.9","0.02","90","","1341.7","0.4","243","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","BK1358","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; De Castro, Eustaquio Vinicius Ribeiro","1:1 Complex of 2-Aminobenzoic Acid and 3-Methyl-4-nitropyridine <i>N</i>-Oxide","Acta Crystallographica Section C","1998","54","4","517","519","10.1107/S0108270197016272","","","0.71073","MoKα","","0.0825","0.055","","0.1823","0.149","","","","1.064","1.04","1.04","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007146","13.775","0.006","13.775","0.006","30.533","0.005","90","","90","","90","","5794","4","291","2","291","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","bis(iodo)tetrakis{tris(dimethylamido)phosphineoxide}bismuth(III) pentaiodide","","- C24 H72 Bi I7 N12 O4 P4 -","- C24 H72 Bi I7 N12 O4 P4 -","- C96 H288 Bi4 I28 N48 O16 P16 -","4","0.25","BM1163","Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett","Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~]","Acta Crystallographica Section C","1998","54","4","476","479","10.1107/S0108270197015485","","","0.71073","MoKα","","0.0658","0.0305","","0.0765","0.0659","","","","1.001","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007147","11.0474","0.0011","15.6902","0.0012","15.093","0.0011","90","","104.974","0.002","90","","2527.3","0.4","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Cu N10 Ni2 O12 -","- C46 H60 Cu N10 Ni2 O12 -","- C92 H120 Cu2 N20 Ni4 O24 -","2","0.5","BM1190","Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Çakırer, Orhan","Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]bis(dimethylformamide)di(μ-nitrito)copper(II)dinickel(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1998","54","4","468","470","10.1107/S0108270197013218","","","0.71073","MoKα","","","0.033","","","0.04","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007148","22.711","0.006","15.498","0.005","14.642","0.004","90","0.02","117.97","0.02","90","0.02","4552","2","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N5 O4 -","- C26 H23 N5 O4 -","- C208 H184 N40 O32 -","8","1","CF1173","Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines","Acta Crystallographica Section C","1998","54","4","519","521","10.1107/S0108270197016491","","","0.71073","MoKα","","0.148","0.055","","","0.066","","","","","1.783","1.783","","","","","has coordinates,has Fobs","208362","2020-10-21","18:00:00",""
"2007149","12.985","0.001","14.036","0.002","13.314","0.003","90","0.2","102.7","0.3","90","0.3","2367","3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl N4 O2 -","- C27 H25 Cl N4 O2 -","- C108 H100 Cl4 N16 O8 -","4","1","CF1173","Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines","Acta Crystallographica Section C","1998","54","4","519","521","10.1107/S0108270197016491","","","0.71073","MoKα","","0.194","0.049","","","0.065","","","","","1.877","1.877","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2007150","8.2178","0.0008","13.345","0.001","9.7934","0.0009","90","","96.781","0.009","90","","1066.5","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-7,10-dihydro-7,8-benzocoumarin","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","CF1186","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1998","54","4","542","544","10.1107/S0108270197016508","","","0.71073","MoKα","","0.0843","0.0379","","0.1039","0.0902","","","","0.852","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007151","10.959","0.001","12.963","0.001","7.9905","0.0008","90","","106.081","0.009","90","","1090.73","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Methyl-7,10-dihydro-7,8-benzocoumarin-8,9-oxide","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","CF1186","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1998","54","4","542","544","10.1107/S0108270197016508","","","0.71073","MoKα","","0.0901","0.04","","0.105","0.0909","","","","0.828","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007152","4.901","0.002","6.246","0.002","7.748","0.003","85.86","0.02","73.2","0.03","73.44","0.03","217.62","0.15","173","","100","","","","","","","","","4","P -1","-P 1","2","pyrrolidone","Pyrrolidin-2-one (1-aza-2-cyclopentanone)","","- C4 H7 N O -","- C4 H7 N O -","- C8 H14 N2 O2 -","2","1","CF1205","Richard Goddard; Oliver Heinemann; Carl Krüger; Ildikó Magdó; Franz Mark; Kurt Schaffner","A Low-Temperature Phase of 2-Pyrrolidone","Acta Crystallographica Section C","1998","54","4","501","504","10.1107/S010827019701651X","","","0.71069","MoKα","","0.0761","0.0664","","0.2059","0.1946","","","","1.228","1.273","1.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007153","5.873","0.001","9.693","0.001","10.4561","0.0009","90","","104.07","0.01","90","","577.38","0.13","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C16 H12 N12 O16 -","4","1","CF1206","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.","Two New Structures of 5-Nitrouracil","Acta Crystallographica Section C","1998","54","4","547","550","10.1107/S0108270197016521","","","0.71069","MoKα","","0.0558","0.0363","","0.0534","0.0506","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007154","8.858","0.001","6.9619","0.0006","15.822","0.001","90","","95.823","0.008","90","","970.68","0.15","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","CF1206","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.","Two New Structures of 5-Nitrouracil","Acta Crystallographica Section C","1998","54","4","547","550","10.1107/S0108270197016521","","","0.71069","MoKα","","0.035","0.0297","","0.0502","0.0492","","","","","2.132","2.132","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007155","7.808","0.002","7.056","0.002","11.09","0.003","90","","108.14","0.03","90","","580.6","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-thio-1,2,4-triazine","","- C4 H5 N3 S -","- C4 H5 N3 S -","- C16 H20 N12 S4 -","4","1","CF1207","Palmer, Michael H.; Parsons, Simon; Smith, Susan; Blake, Alexander J.; Guest, Martyn F.","3-Methylthio-1,2,4-triazine: a Comparison of Experimental and Theoretical Structures","Acta Crystallographica Section C","1998","54","4","550","553","10.1107/S0108270197016533","","","0.71073","MoKα","","0.0347","0.029","","0.0827","0.0777","","","","1.055","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007156","13.911","0.003","10.357","0.002","28.782","0.006","90","","102.87","0.02","90","","4042.6","1.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl10 -","- C16 H8 Cl10 -","- C128 H64 Cl80 -","8","1","CF1209","Wilson, Claire; Howard, Judith A. K.","Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer","Acta Crystallographica Section C","1998","54","4","544","547","10.1107/S0108270197016557","","","0.71073","MoKα","","0.1211","0.0459","","0.0735","0.058","","","","1.304","1.427","1.427","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007157","7.0543","0.0007","8.8125","0.0009","15.016","0.001","72.98","0.003","77.562","0.003","69.707","0.003","830.42","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 Cl4 -","- C20 H16 Cl4 -","- C40 H32 Cl8 -","2","1","CF1209","Wilson, Claire; Howard, Judith A. K.","Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer","Acta Crystallographica Section C","1998","54","4","544","547","10.1107/S0108270197016557","","","0.71073","MoKα","","0.0411","0.0388","","0.0992","0.0947","","","","1.118","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007158","30.15","0.01","6.644","0.002","12.685","0.007","90","","102.6","0.04","90","","2479.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MEPHENTERMINE HEMISULFATE","","","- C11 H20 N O3 S0.5 -","- C11 H20 N O3 S0.5 -","- C88 H160 N8 O24 S4 -","8","2","DE1069","Sengupta, Rakhi; Banerjee, Rahul; Dattagupta, J.K.","Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent","Acta Crystallographica Section C","1998","54","4","497","499","10.1107/S0108270197015461","","","1.5418","CuKα","","0.053","0.051","","0.162","0.16","","","","1.197","1.224","1.224","","","","","has coordinates","209422","2020-10-21","18:00:00",""
"2007159","11.253","0.001","13.033","0.001","17.563","0.002","90","","90","","90","","2575.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(1,10-Phenantholine)-copper(ii) tetrathionate","","- C24 H16 Cu N4 O6 S4 -","- C24 H16 Cu N4 O6 S4 -","- C96 H64 Cu4 N16 O24 S16 -","4","0.5","FG1333","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate","Acta Crystallographica Section C","1998","54","4","464","468","10.1107/S0108270197016284","","","0.71073","MoKα","","0.1011","0.0556","","0.1803","0.1422","","","","0.951","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007160","11.232","0.004","13.569","0.006","14.654","0.006","99.67","0.01","99.44","0.01","109.75","0.01","2012.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-Phenantholine)-copper(ii) tetrathionate, pentahydrate","","- C36 H34 Cu N6 O11 S4 -","- C36 H34 Cu N6 O11 S4 -","- C72 H68 Cu2 N12 O22 S8 -","2","1","FG1333","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate","Acta Crystallographica Section C","1998","54","4","464","468","10.1107/S0108270197016284","","","0.71073","MoKα","","0.1168","0.0577","","0.1576","0.1293","","","","0.93","1.035","1.035","","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2007161","31.877","0.007","31.877","0.007","9.614","0.001","90","","90","","120","","8460","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16.33 H25 O4.17 Ru -","- C16.3333 H24 O4.16667 Ru -","- C294 H432 O75 Ru18 -","18","1","FG1341","Meléndez, Enrique; Ilarraza, Raimundo; Yap, Glenn P.A.; Rheingold, Arnold L.","Bis(acetylacetonato-<i>O</i>,<i>O</i>')(η^4^-<i>trans</i>-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate","Acta Crystallographica Section C","1998","54","4","449","451","10.1107/S0108270197016958","","","0.71073","MoKα","","0.1017","0.0514","","0.1261","0.101","","","","1.018","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007162","12.802","0.003","11.181","0.003","20.281","0.002","90","","90","","90","","2903","1.1","294","","294","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 F O -","- C18 H21 F O -","- C144 H168 F8 O8 -","8","2","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.042","","","","0.125","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007163","11.617","0.002","6.643","0.006","20.868","0.002","90","","103.27","0.01","90","","1567.4","1.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.057","","","","0.171","","","","","","1.673","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007164","12.021","0.003","20.149","0.003","6.655","0.002","90","","90","","90","","1611.9","0.7","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","0.7107","MoKα","","","0.048","","","","0.153","","","","","","1.45","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007165","12.987","0.003","18.439","0.005","7.281","0.002","101.23","0.02","98.32","0.02","91.12","0.02","1690.1","0.8","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","0.7107","MoKα","","","0.079","","","","0.248","","","","","","2.02","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007166","7.983","0.004","6.054","0.003","22.595","0.001","90","","95.74","0.01","90","","1086.5","0.8","253","","253","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","FG1373","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto","Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex)","Acta Crystallographica Section C","1998","54","4","513","515","10.1107/S0108270197013474","","","0.71073","MoKα","","0.0653","0.0382","","0.1289","0.0995","","","","1.003","0.947","0.947","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007167","14.381","0.003","7.697","0.003","14.2869","0.0012","90","","100.801","0.01","90","","1553.4","0.7","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H18 Mo N4 O4 -","- C12 H18 Mo N4 O4 -","- C48 H72 Mo4 N16 O16 -","4","1","FG1386","Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James","A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]","Acta Crystallographica Section C","1998","54","4","473","475","10.1107/S0108270197015898","","","0.7107","MoKα","","","0.027","","","","0.053","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007168","23.106","0.013","16.445","0.012","7.985","0.007","90","","90","","90","","3034","4","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N S -","- C18 H17 N S -","- C144 H136 N8 S8 -","8","1","FG1388","Fu, Tai Y.; Scheffer, John R.; Trotter, James","3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione","Acta Crystallographica Section C","1998","54","4","496","497","10.1107/S0108270197015904","","","0.7107","MoKα","","","0.063","","","","0.206","","","","","","1.225","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007169","36.149","0.011","5.471","0.001","18.673","0.007","90","","109.47","0.03","90","","3481.8","1.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3',4""-Didecyl-2,2';5',2"";5"",2""'-quaterthiophene","","- C36 H50 S4 -","- C36 H50 S4 -","- C144 H200 S16 -","4","0.5","FG1393","Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario","3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene","Acta Crystallographica Section C","1998","54","4","553","555","10.1107/S0108270197016302","","","1.5418","CuKα","","0.0623","0.0477","","0.1404","","0.1326","","","0.963","","","1.076","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007170","12.558","0.004","5.4771","0.0015","23.207","0.005","90","","90","","90","","1596.2","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Di(4-nitrobenzenesulfonyl)amine Monohydrate","","- C12 H11 N3 O9 S2 -","- C12 H11 N3 O9 S2 -","- C48 H44 N12 O36 S8 -","4","1","FG1400","Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate","Acta Crystallographica Section C","1998","54","4","504","507","10.1107/S0108270197016314","","","0.71073","MoKα","","0.0387","0.0323","","0.074","0.0724","","","","1.063","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007171","17.108","0.002","10.45","0.002","15.188","0.003","90","","93.33","0.05","90","","2710.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N4 O4 S -","- C12 H10 N4 O4 S -","- C96 H80 N32 O32 S8 -","8","1","FR1057","Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan","Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone","Acta Crystallographica Section C","1998","54","4","527","529","10.1107/S0108270197015928","","","0.7107","MoKα","","0.0459","0.0347","","0.0771","0.073","","","","0.973","1.013","1.013","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007172","14.3132","0.001","10.5769","0.0015","17.9455","0.0013","90","","107.351","0.006","90","","2593.1","0.5","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-5-dimethylamino-1,1,t-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0484","0.0339","","0.0905","0.0871","","","","1.063","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007173","16.246","0.003","10.8936","0.0008","20.173","0.003","90","","134.282","0.009","90","","2555.9","0.7","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-5-dimethylamino-1,1,c-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0656","0.048","","0.1343","0.1252","","","","0.965","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007174","12.156","0.002","14.537","0.0011","14.499","0.0014","90","","100.352","0.011","90","","2520.4","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","c-2-dimethylamino-r-1,1,5-trimethyl-6-(4-methyl-benzoyl)-t-7a-p-tolyl- 1,2,5,7a-tetrahydro-pyrrolizine-3,3-dicarbonitrile","","- C29 H32 N4 O -","- C29 H32 N4 O -","- C116 H128 N16 O4 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0556","0.0394","","0.1071","0.1016","","","","1.041","1.159","1.159","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007175","9.2212","0.0004","18.0246","0.001","17.4099","0.0008","90","","101.016","0.005","90","","2840.4","0.2","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril","","- C34 H39 N5 -","- C34 H39 N5 -","- C136 H156 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0796","0.0344","","0.0551","0.0503","","","","0.713","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007176","7.08","0.003","6.8203","0.0005","29.473","0.004","90","0.008","90.32","0.03","90","0.02","1423.2","0.6","208","2","208","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Dipyridinomethane cis-Dibromotetrafluoroosmate(IV)","","- C11 H12 Br2 F4 N2 Os -","- C11 H12 Br2 F4 N2 Os -","- C44 H48 Br8 F16 N8 Os4 -","4","1","JZ1245","Höhling, Matthias; Preetz, Wilhelm","Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~]","Acta Crystallographica Section C","1998","54","4","481","483","10.1107/S0108270197017174","","","0.71069","MoKα","","0.043","0.0261","","","0.0616","0.0734","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007177","9.7824","0.0007","10.583","0.001","16.344","0.001","90","","90","","90","","1692","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-2-oxoethyl 2-methoxymethylpyrrolidine-1- dithiocarboxylate","","- C15 H18 Br N O2 S2 -","- C15 H18 Br N O2 S2 -","- C60 H72 Br4 N4 O8 S8 -","4","1","JZ1254","Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre","(<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate","Acta Crystallographica Section C","1998","54","4","507","509","10.1107/S0108270197016570","","","0.71073","MoKα","","0.125","0.0623","","0.1326","0.0941","","","","1.242","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007178","7.43","0.004","18.453","0.002","7.686","0.003","90","","96.32","0.02","90","","1047.4","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2H-1-benzopyran-2-[cyano(methylthio)methylene]","","- C12 H9 N O S -","- C12 H9 N O S -","- C48 H36 N4 O4 S4 -","4","1","JZ1258","Pochat, Francis; L'Haridon, Paul","α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile","Acta Crystallographica Section C","1998","54","4","531","533","10.1107/S0108270197015874","","","0.7107","MoKα","","","0.058","","","","0.066","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007179","12.1747","0.0016","12.1747","0.0016","13.791","0.002","90","","90","","90","","2044.1","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II)","","- C18 H27 Cu N3 O3 S -","- C18 H27 Cu N3 O3 S -","- C72 H108 Cu4 N12 O12 S4 -","4","1","JZ1262","Warda, Salam A.","An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","4","460","462","10.1107/S0108270197016582","","","0.71073","MoKα","","0.0545","0.035","","","","0.0803","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007180","7.949","0.001","13.383","0.003","14.34","0.004","104.06","0.02","102.15","0.02","95.93","0.02","1427.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Di(methoxyethyl)cyclopentadienyl]-trichlorozirconium(IV)","","- C11 H17 Cl3 O2 Zr -","- C11 H17 Cl3 O2 Zr -","- C44 H68 Cl12 O8 Zr4 -","4","2","JZ1264","van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland","[1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV)","Acta Crystallographica Section C","1998","54","4","458","460","10.1107/S0108270197016594","","","0.71073","MoKα","","0.0578","0.0385","","0.1648","0.0978","","","","1.189","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007181","8.546","0.001","17.865","0.002","15.044","0.002","90","","98.14","0.02","90","","2273.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C92 H92 N4 O32 S4 -","4","1","LN1030","Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou","<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate","Acta Crystallographica Section C","1998","54","4","525","527","10.1107/S0108270197015631","","","0.71073","MoKα","","0.0451","0.043","","0.088","0.0876","","","","1.003","1.194","1.194","","","","","has coordinates","281832","2023-03-13","07:44:32",""
"2007182","7.471","0.001","7.735","0.001","12.33","0.001","85.043","0.007","73.879","0.008","82.665","0.007","677.94","0.14","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C28 H24 Cl2 N2 O4 S2 -","2","1","MU1319","Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay","<i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide","Acta Crystallographica Section C","1998","54","4","488","489","10.1107/S010827019701545X","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007183","10.317","0.002","5.864","0.004","24.582","0.001","90","","100.15","0.02","90","","1463.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2-(napthalenyl)]-3-(3-nitrophenyl)-2-propen-1-one","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","MU1335","Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.","1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one","Acta Crystallographica Section C","1998","54","4","541","542","10.1107/S0108270197015953","","","1.5418","CuKα","","0.029","0.028","","0.118","0.097","","","","1.079","0.925","0.925","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007184","7.596","0.001","15.53","0.002","6.966","0.001","90","","90","","90","","821.75","0.19","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis (2-chloroimidazolium) hexachloroplatinate(IV)","","- C6 H8 Cl8 N4 Pt -","- C6 H8 Cl8 N4 Pt -","- C12 H16 Cl16 N8 Pt2 -","2","0.25","MU1347","Giovanni Valle; Renato Ettorre","Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~]","Acta Crystallographica Section C","1998","54","4","448","449","10.1107/S0108270197015965","","","0.7107","MoKα","","0.048","0.041","","0.106","0.101","","","","1.283","1.329","1.329","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007185","9.7495","0.0009","13.0024","0.0014","16.358","0.002","90","","94.096","0.008","90","","2068.4","0.4","293","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-bis(2-pyridyl)-quinoxaline-N,N')-dichloro-palladium(II) hydrate","","- C20 H18 Cl2 N4 O Pd -","- C20 H16 Cl2 N4 O Pd -","- C80 H64 Cl8 N16 O4 Pd4 -","4","1","MU1352","Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe","Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate","Acta Crystallographica Section C","1998","54","4","485","487","10.1107/S0108270198000511","","","0.71073","MoKα","","0.0357","0.0285","","0.0879","0.0862","","","","1.05","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007186","9.337","0.008","7.597","0.004","9.321","0.006","90","","104.46","0.07","90","","640.2","0.8","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.038","0.027","","0.069","0.065","","","","1.104","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007187","9.359","0.007","7.621","0.003","9.367","0.006","90","","104.31","0.06","90","","647.4","0.7","240","1","240","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.0579","0.0311","","0.0865","0.0778","","","","1.048","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007188","12.686","0.001","12.686","0.001","9.314","0.002","90","","90","","120","","1298.1","0.3","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)copper(I)Iodide","","- C15 H36 Cu I N6 S3 -","- C15 H36 Cu I N6 S3 -","- C30 H72 Cu2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.037","0.03","","0.081","0.077","","","","0.994","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007189","12.792","0.001","12.792","0.001","9.335","0.001","90","","90","","120","","1322.9","0.2","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)silver(I) Iodide","","- C15 H36 Ag I N6 S3 -","- C15 H36 Ag I N6 S3 -","- C30 H72 Ag2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.045","0.027","","0.07","0.065","","","","0.901","1.038","1.038","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007190","25.049","0.004","9.043","0.001","15.956","0.002","90","","102.2","0.01","90","","3532.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Co N12 -","- C15 H13 Co N12 -","- C120 H104 Co8 N96 -","8","1","MU1361","Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang","<i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","4","479","481","10.1107/S0108270197016375","","","0.71073","MoKα","","0.0547","0.0351","","0.041","0.0357","","","","1.029","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007191","12.615","0.002","9.514","0.001","13.721","0.001","90","","116.58","0.01","90","","1472.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-(Propionato)(di-2-pyridylamine)-nitrato-copper(II)","","- C13 H14 Cu N4 O5 -","- C13 H14 Cu N4 O5 -","- C52 H56 Cu4 N16 O20 -","4","1","MU1370","Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun","<i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","4","451","453","10.1107/S0108270197016405","","","0.71073","MoKα","","0.0493","0.0323","","0.0934","0.0876","","","","0.985","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007192","5.4759","0.0007","7.4682","0.0006","50.997","0.005","90","","90","","90","","2085.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl O3 -","- C25 H27 Cl O3 -","- C100 H108 Cl4 O12 -","4","1","NA1312","Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene","Acta Crystallographica Section C","1998","54","4","521","523","10.1107/S010827019701737X","","","1.54178","CuKα","","0.8","0.06","","0.175","0.156","","","","1.044","1.07","1.07","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007193","9.345","0.002","14.683","0.004","11.244","0.003","90","","93.07","0.02","90","","1540.6","0.7","292","","292","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate tetraurea monohydrate","","- C4 H18 Mg N8 O9 S -","- C4 H18 Mg N8 O9 S -","- C16 H72 Mg4 N32 O36 S4 -","4","1","NA1321","Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova","Magnesium Sulfate Tetraurea Monohydrate","Acta Crystallographica Section C","1998","54","4","456","458","10.1107/S0108270197012912","","","0.71073","MoKα","","","0.03","","","","0.047","","","","","","0.966","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2007194","12.643","0.001","12.643","0.001","12.643","0.001","90","","90","","90","","2020.9","0.3","297","2","297","2","","","","","","","","3","P m -3","-P 2 2 3","200","α-(AlMnSi)","α-(AlMnSi)","","- Al4 Mn1.01 Si0.74 -","- Al4.0125 Mn Si0.7375 -","- Al96.3 Mn24 Si17.7 -","24","1","OH1107","Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji","Re-Refinement of α-(AlMnSi)","Acta Crystallographica Section C","1998","54","4","445","447","10.1107/S0108270197015989","","","0.71069","MoKα","","0.066","0.031","","0.062","0.057","","","","0.959","1.09","1.09","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007195","10.753","0.002","18.955","0.004","10.326","0.002","93.87","0.02","117.92","0.01","100.9","0.02","1796.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,6-di(triphenylphosphine)-closo-decaborane","","- C36 H38 B10 P2 -","- C36 H38 B10 P2 -","- C72 H76 B20 P4 -","2","1","QA0034","Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng","A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~","Acta Crystallographica Section C","1998","54","4","IUC9800008","","10.1107/S0108270198099764","","","0.71069","MoKα","","","0.0649","","","","0.1799","","","","","","0.984","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007196","12.1045","0.001","21.6675","0.0012","21.1669","0.0014","90","","90","","90","","5551.5","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","[tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I)","","- C30 H66 Cu4 I6 K2 N2 O12 -","- C30 H66 Cu4 I5 K2 N2 O12 -","- C120 H264 Cu16 I20 K8 N8 O48 -","4","0.5","QB0033","Mague, Joel T.","Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)","Acta Crystallographica Section C","1998","54","4","IUC9800010","","10.1107/S0108270198099776","","","0.71073","MoKα","","0.1039","0.0311","","0.0931","","0.0723","","","1.012","","","1.102","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007197","8.543","0.003","12.76","0.004","7.8","0.003","98.39","0.03","114.84","0.03","88.36","0.03","762.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 F7 N O -","- C17 H10 F7 N O -","- C34 H20 F14 N2 O2 -","2","1","QB0034","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one","Acta Crystallographica Section C","1998","54","4","IUC9800009","","10.1107/S0108270198099752","","","0.7107","MoKα","","0.193","0.0587","","0.1861","0.1354","","","","0.978","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007198","7.533","0.002","10.306","0.003","20.139","0.005","90","","95.24","0.02","90","","1557","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F7 N O -","- C17 H10 F7 N O -","- C68 H40 F28 N4 O4 -","4","1","QB0034","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one","Acta Crystallographica Section C","1998","54","4","IUC9800009","","10.1107/S0108270198099752","","","0.7107","MoKα","","0.0796","0.0379","","0.1268","0.0969","","","","1.025","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007199","10.458","0.002","10.925","0.002","12.097","0.002","86.17","0.03","81.83","0.03","76.31","0.03","1328.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 I N8 Sb -","- C32 H16 I N8 Sb -","- C64 H32 I2 N16 Sb2 -","2","1","SK1152","Kubiak, Ryszard; Razik, Mariola","(Phthalocyaninato)antimony Iodide","Acta Crystallographica Section C","1998","54","4","483","485","10.1107/S0108270197016867","","","0.71073","MoKα","","0.0862","0.0387","","0.1001","0.0859","","","","0.985","1.081","1.081","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007200","14.266","0.002","13.528","0.001","11.747","0.001","90","","90","","90","","2267.1","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-(4-DIMETHYLAMINOPHENYL) 3,4,6,9,10-HEXAHYDRO 2,2,8,8-TETRAMETHYL 1,8(2H,5H)-ACRIDINE DIONE","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","VJ1060","V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan","9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","4","557","559","10.1107/S0108270197016727","","","0.71073","MoKα","","0.1029","0.0565","","0.1507","0.1261","","","","1.032","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007201","5.4376","0.0005","7.2577","0.0008","22.773","0.002","90","","90","","90","","898.72","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-PHENYLGLYCINE HYDROCHLORIDE","D-α-Aminophenyl acetic acid hydrochloride","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","VJ1074","Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana","<small>D</small>-Phenylglycine Hydrochloride","Acta Crystallographica Section C","1998","54","4","499","501","10.1107/S0108270197014674","","","0.71073","MoKα","","0.045","0.035","","0.127","0.106","","","","0.768","0.747","0.747","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007202","9.8899","0.0013","10.1168","0.001","10.5673","0.0009","86.702","0.009","88.222","0.011","72.206","0.009","1004.95","0.19","293","2","","","","","","","","","","4","P -1","-P 1","2","","8-hydroxyquinoline salicylate-salicylic acid complex","","- C23 H19 N O7 -","- C23 H19 N O7 -","- C46 H38 N2 O14 -","2","1","VJ1075","Jebamony, Justin Robert; Thomas Muthiah, Packianathan","8-Hydroxyquinolinium‒Salicylate‒Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~","Acta Crystallographica Section C","1998","54","4","539","540","10.1107/S0108270197013930","","","0.71069","MoKα","","","0.0313","","","","0.009","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007203","11.188","0.004","13.672","0.009","27.352","0.002","90","","90","","90","","4184","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C224 H160 N16 O8 -","8","1","AB1463","Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian","1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one","Acta Crystallographica Section C","1998","54","5","629","630","10.1107/S0108270197017411","","","1.5418","CuKα","","0.0714","0.059","","0.1735","0.1634","","","","1.103","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007204","9.346","0.001","14.441","0.001","24.524","0.002","90","0.01","97.13","0.01","94.55","0.01","3273.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1H-[1,3]oxazino[3,2-a] [1,5]benzodiazepin-1-one","","- C43 H32 N2 O3 -","- C43 H32 N2 O3 -","- C172 H128 N8 O12 -","4","2","AB1494","Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.","7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one","Acta Crystallographica Section C","1998","54","5","666","668","10.1107/S010827019701740X","","","0.71073","MoKα","","0.2057","0.0451","","0.179","0.113","","","","0.973","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007205","7.0939","0.0006","9.2625","0.0008","11.657","0.001","90","","97.672","0.001","90","","759.09","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Acetaminophen","4-acetaminophenol","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","AV1018","Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard","The Monoclinic Form of Acetaminophen at 150K","Acta Crystallographica Section C","1998","54","5","653","655","10.1107/S0108270197018386","","","0.71073","MoKα","","0.0671","0.0555","","0.1119","0.1069","","","","1.185","1.209","1.209","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007206","26.831","0.002","15.2944","0.0007","24.952","0.001","90","","94","0.01","90","","10214.5","1","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl12 O2 -","- C18 H12 Cl12 O2 -","- C288 H192 Cl192 O32 -","16","2","BK1349","Garcia, J. Gabriel; Fronczek, Frank R.","<i>endo</i>-<i>endo</i>-<i>anti</i> Diels‒Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1998","54","5","645","647","10.1107/S0108270197014005","","","0.71073","MoKα","","","0.057","","","0.039","","","","","1.243","1.243","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2007207","9.295","0.001","9.295","0.001","17.689","0.003","90","","90","","120","","1323.5","0.3","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Tri-aquo-tris-(oxydiacetate) (europium(III) lanthanum(III))-pentahydrate","","- C12 H28 Eu La O23 -","- C12 H12 Eu La O22.98 -","- C24 H24 Eu2 La2 O45.96 -","2","0.166667","BK1364","Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille","Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate","Acta Crystallographica Section C","1998","54","5","591","594","10.1107/S0108270197017356","","","0.71073","MoKα","","0.0267","0.023","","0.065","0.0632","","","","1.09","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007208","10.309","0.002","11.451","0.002","13.361","0.003","96.706","0.002","93.109","0.003","105.188","0.002","1505.8","0.5","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 Ni O6 -","- C32 H30 N6 Ni O6 -","- C64 H60 N12 Ni2 O12 -","2","1","BM1157","Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem","{2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 ‒)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","5","623","625","10.1107/S0108270197016545","","","0.71069","MoKα","","","0.042","","","0.047","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007209","9.999","0.001","13.867","0.002","8.911","0.004","90.81","0.02","91.18","0.02","104.91","0.01","1193.5","0.6","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H35 N7 Ni S2 -","- C18 H35 N7 Ni S2 -","- C36 H70 N14 Ni2 S4 -","2","1","BM1168","Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan","Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes","Acta Crystallographica Section C","1998","54","5","627","628","10.1107/S0108270197017368","","","0.71069","MoKα","","0.1058","0.0583","","0.1073","0.0936","","","","1.27","1.438","1.438","","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2007210","13.436","0.002","14.584","0.004","14.327","0.003","90","","104.891","0.015","90","","2713.1","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin","","- C58 H70 N4 Si2 -","- C58 H70 N4 Si2 -","- C116 H140 N8 Si4 -","2","0.5","BM1176","Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L.","5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin","Acta Crystallographica Section C","1998","54","5","662","664","10.1107/S0108270197017162","","","1.54184","CuKα","","0.0466","0.0409","","","0.1155","0.1198","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007211","19.639","0.003","13.143","0.002","15.1992","0.0014","90","","101.845","0.013","90","","3839.6","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachloro-bis[3-(2-pyridyl)pyrazolato]-bis(N,N'-dimethyformamide) diindium(III) bis(N,N'-dimethyformamide) solvate","","- C28 H40 Cl4 In2 N10 O4 -","- C28 H40 Cl4 In2 N10 O4 -","- C112 H160 Cl16 In8 N40 O16 -","4","0.5","BM1206","Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.","A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands","Acta Crystallographica Section C","1998","54","5","601","603","10.1107/S0108270197019185","","","0.71073","MoKα","","0.0428","0.0275","","0.0696","0.0643","","","","1.029","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007212","8.9913","0.0005","13.1001","0.001","16.6041","0.001","90","","90","","90","","1955.7","0.2","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deoxy-3epiryanodol","","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.0313","0.0304","","0.0842","0.0832","","","","1.052","1.059","1.059","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007213","8.914","0.0005","18.1678","0.0013","25.326","0.002","90","","90","","90","","4101.5","0.5","293","2","293","2","","","","","","","","3","I 2 2 2","I 2 2","23","2,3-dideoxy-2,3-dihydroryanodol","","","- C20 H35 O7.5 -","- C20 H34 O7.429 -","- C160 H272 O59.432 -","8","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.043","0.039","","0.108","0.1039","","","","1.024","1.035","1.035","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007214","9.7509","0.0005","10.3005","0.0008","19.5609","0.0013","90","","101.937","0.005","90","","1922.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H56 O12 -","- C40 H56 O12 -","- C80 H112 O24 -","2","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","Molybdenum","","0.0549","0.0379","","0.0939","0.0829","","","","1.036","1.082","1.082","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007215","10.321","0.003","13.917","0.005","29.196","0.004","90","","90","","90","","4194","2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cinnzeylanol","","","- C40 H74.3 O19.15 -","- C40 H64 O19.154 -","- C160 H256 O76.616 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","MolybdenumKα","","0.0855","0.0617","","0.1519","0.14","","","","1.038","1.143","1.143","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007216","9.0121","0.001","18.08","0.004","25.476","0.003","90","","90","","90","","4151","1.1","293","","293","","","","","","","","","3","P 2 21 21","P 2bc 2","18","2-deoxyryanodol","","","- C20 H34.5 O8.25 -","- C20 H34.5 O8.125 -","- C160 H276 O65 -","8","2","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CopperKα","","0.0611","0.0553","","0.1585","0.1509","","","","1.041","1.075","1.075","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007217","12.178","0.003","13.885","0.003","7.143","0.003","90","","90","","90","","1207.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diaquacobalt Tetracyanonickelate Tetrahydrate","","- C4 H12 Co N4 Ni O6 -","- C4 H12 Co N4 Ni O6 -","- C16 H48 Co4 N16 Ni4 O24 -","4","0.5","BS1042","Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J.","Diaquacobalt Tetracyanonickelate Tetrahydrate","Acta Crystallographica Section C","1998","54","5","565","567","10.1107/S0108270197018003","","","0.71073","MoKα","","0.0463","0.0362","","0.1069","0.1028","","","","1.061","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007218","6.775","0.005","11.146","0.003","7.055","0.004","90","","111.72","0.06","90","","494.9","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethyl-2,2'-bipyridyl","6,6'-dimethyl-2,2'-bipyridyl","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","0.5","CF1167","Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D.","6,6'-Dimethyl-2,2'-bipyridyl","Acta Crystallographica Section C","1998","54","5","661","662","10.1107/S0108270197019872","","","0.71069","MoKα","","0.058","0.051","","0.135","0.132","","","","1.065","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007219","6.704","0.001","10.156","0.002","13.321","0.002","91.09","0.02","95.49","0.02","108.24","0.02","856.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C44 H48 N4 O2 -","2","1","CF1201","Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard","4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine","Acta Crystallographica Section C","1998","54","5","670","672","10.1107/S0108270197017447","","","0.71069","MoKα","","0.0444","0.0441","","0.0888","0.0887","","","","1.011","1.069","1.069","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007220","17.765","0.001","26.708","0.002","7.6153","0.0009","90","","99.46","0.01","90","","3564.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Fe K2 N6 O2.5 -","- C14 H13 Fe K2 N6 O2.5 -","- C112 H104 Fe8 K16 N48 O20 -","8","2","CF1210","Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G.","Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O","Acta Crystallographica Section C","1998","54","5","603","606","10.1107/S0108270197018039","","","0.71073","MoKα","","0.086","0.045","","0.11","0.093","","","","1.049","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007221","13.714","0.004","10.159","0.003","14.006","0.002","90","","118.1","0.02","90","","1721.3","0.8","150","2","150","2","","","","","","","","4","P 1 a 1","P -2ya","7","","dibromotriphenylantimony(V)","","- C18 H15 Br2 Sb -","- C18 H15 Br2 Sb -","- C72 H60 Br8 Sb4 -","4","2","CF1211","Webster, Michael","Dibromotriphenylantimony(V), a Second Polymorph","Acta Crystallographica Section C","1998","54","5","570","572","10.1107/S0108270197018040","","","0.71069","MoKα","","0.088","0.051","","","","0.148","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007222","14.435","0.002","18.025","0.002","8.5494","0.0009","90","0.01","90","0.01","90","0.01","2224.5","0.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Adenosine 5'-carboxylic acid","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C80 H88 N40 O40 -","8","2","DE1070","G. Sreekanta Padiyar; T. P. Seshadri","Adenosine-5'-carboxylic Acid","Acta Crystallographica Section C","1998","54","5","647","649","10.1107/S0108270197017678","","","0.71067","MoKα","","0.07","0.0379","","0.1124","0.0975","","","","1.023","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007223","13.102","0.003","11.57","0.002","19.345","0.003","90","","101.126","0.012","90","","2877.4","0.9","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 D6 N2 O19 P2 W6 -","- C52 H40 D6 N2 O19 P2 W6 -","- C104 H80 D12 N4 O38 P4 W12 -","2","0.5","FG1378","Parvez, Masood; Boorman, P. Michael; Langdon, Naomi","Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","5","608","609","10.1107/S0108270197016946","","","0.71069","MoKα","","0.122","0.035","","0.028","0.022","","","","1.22","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007224","11.598","0.001","10.959","0.001","12.148","0.001","90","0.01","117.41","0.01","90","0.01","1370.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Crystal structures of three diphenylsulphones","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0399","0.037","","0.113","0.1079","","","","0.613","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007225","20.339","0.007","11.024","0.004","15.22","0.007","90","","126.8","0.02","90","","2733","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Crystal structures of three diphenylsulphones","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C120 H128 O16 S8 -","8","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0508","0.045","","0.133","0.1246","","","","0.921","0.924","0.924","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007226","12.36","0.005","8.246","0.004","11.615","0.007","90","","103.74","0.03","90","","1149.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Crystal structures of three diphenylsulphones","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0585","0.0568","","0.1623","0.1602","","","","1.186","1.204","1.204","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007227","6.1119","0.0012","11.047","0.002","6.7488","0.0013","90","","101.23","0.03","90","","446.94","0.15","208","2","208","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 O3 W -","- C9 H6 O3 W -","- C18 H12 O6 W2 -","2","0.5","FR1065","Oh, Jane M.; Geib, Steven J.; Cooper, N. John","The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]","Acta Crystallographica Section C","1998","54","5","581","583","10.1107/S0108270197009955","","","0.71073","MoKα","","0.0283","0.0257","","0.0738","0.0713","","","","1.259","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007228","13.398","0.003","13.988","0.003","13.674","0.003","90","","104.24","0.02","90","","2483.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","zinc(II)tepa bisperchlorate","","","- C21 H24 Cl2 N4 O8 Zn -","- C21 H24 Cl2 N4 O8 Zn -","- C84 H96 Cl8 N16 O32 Zn4 -","4","1","FR1069","Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary","A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine","Acta Crystallographica Section C","1998","54","5","600","601","10.1107/S0108270197017733","","","1.54178","CuKα","","0.0862","0.059","","0.184","0.1505","","","","1.142","1.086","1.086","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007229","6.7611","0.0011","16.889","0.003","7.7713","0.0013","90","","92.44","0.02","90","","886.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5-dichloropyridinium chloride","","- C5 H7 Cl3 N2 O -","- C5 H7 Cl3 N2 O -","- C20 H28 Cl12 N8 O4 -","4","1","FR1087","Anagnostis, Jason; Turnbull, Mark M.","2-Amino-3,5-dichloropyridinium Chloride Monohydrate","Acta Crystallographica Section C","1998","54","5","681","683","10.1107/S0108270197017344","","","0.71073","MoKα","","0.0365","0.0281","","0.0714","0.0692","","","","0.958","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007230","10.855","0.001","16.045","0.002","10.516","0.002","90","","90","","90","","1831.6","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H33 Cl Si -","- C18 H33 Cl Si -","- C72 H132 Cl4 Si4 -","4","0.5","FR1098","Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R.","Chlorotricyclohexylsilane, C~18~H~33~ClSi","Acta Crystallographica Section C","1998","54","5","694","695","10.1107/S0108270197017745","","","0.71073","MoKα","","0.048","0.043","","0.077","0.073","","","","1.43","1.47","1.47","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007231","19.037","0.006","9.548","0.003","12.089","0.004","90","","90","","90","","2197.4","1.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","FULGID-1","2,3-diphenylbenzylidenesuccinic anhydride","","- C30 H20 O3 -","- C30 H20 O3 -","- C120 H80 O12 -","4","0.5","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71069","MoKα","","0.1608","0.0868","","0.313","0.1742","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007232","11.939","0.003","10.251","0.003","8.731","0.002","100.45","0.02","100.32","0.02","67.65","0.02","964.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","FULGID-2","2-fluorenylidene,3-(adamantylidene)succinic anhydride","","- C27 H22 O3 -","- C27 H22 O3 -","- C54 H44 O6 -","2","1","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71069","MoKα","","0.1505","0.0783","","0.2773","0.1725","","","","0.238","0.228","0.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007233","10.2498","0.001","12.586","0.003","8.189","0.004","96.51","","87.9","","93.5","","1047.2","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","FULGID-3","2-fluorenylidene,3-(3,4,5-trimethoxybenzylidene) succinic anhydride","","- C27 H20 O6 -","- C27 H20 O6 -","- C54 H40 O12 -","2","1","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71093","MoKα","","0.1268","0.0886","","0.2587","0.2019","","","","0.394","0.41","0.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007234","21.2245","0.0011","21.2245","0.0011","21.2245","0.0011","90","","90","","90","","9561.2","0.9","250","2","250","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Disodium bis(methyl-α-D-mannopyranosidato(3-)) 5/3-bismutate(III) hydroxide dodecahydrate","","- C14 H47 Bi1.6667 Na2 O25 -","- C14 H22.6667 Bi1.66667 Na2 O25.0467 -","- C168 H272 Bi20 Na24 O300.56 -","12","1","JZ1224","Klüfers, Peter; Mayer, Peter","Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex","Acta Crystallographica Section C","1998","54","5","583","586","10.1107/S0108270197011050","","","0.71073","MoKa","","0.026","0.022","","0.043","0.042","","","","0.983","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007235","8.9033","0.0008","6.3","0.003","10.717","0.002","90","","102.614","0.013","90","","586.6","0.3","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","β-Sodium succinate hexahydrate","","- C4 H16 Na2 O10 -","- C4 H16 Na2 O10 -","- C8 H32 Na4 O20 -","2","0.5","JZ1231","Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía","A New Phase of Sodium Succinate Hexahydrate","Acta Crystallographica Section C","1998","54","5","578","580","10.1107/S0108270197017393","","","0.71069","MoKα","","0.0404","0.0289","","0.1076","0.0746","","","","1.059","1.08","1.08","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007236","11.085","0.003","7.7168","0.0006","13.006","0.002","90","","99.97","0.02","90","","1095.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester","","- C9 H11 N5 O3 -","- C9 H11 N5 O3 -","- C36 H44 N20 O12 -","4","1","JZ1235","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester","Acta Crystallographica Section C","1998","54","5","659","661","10.1107/S0108270197015795","","","1.54178","CuKα","","0.041","0.038","","0.101","0.1","","","","1.381","1.408","1.408","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007237","9.2753","0.0006","11.3756","0.0008","21.72","0.002","90","","90","","90","","2291.7","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate","","- C12 H38 Cl2 Cu N6 O10 -","- C12 H38 Cl2 Cu N6 O10 -","- C48 H152 Cl8 Cu4 N24 O40 -","4","0.25","JZ1250","Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1998","54","5","614","616","10.1107/S0108270197018131","","","0.71073","MoKα","","0.0485","0.0273","","","","0.0586","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007238","7.4845","0.0009","10.4936","0.001","6.2217","0.0005","90","","90","","90","","488.65","0.08","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","lithium hexafluoro arsenate monohydrate","","- As F6 H2 Li O -","- As F6 H2 Li O -","- As4 F24 H8 Li4 O4 -","4","0.25","JZ1259","Loss, Sandra; Röhr, Caroline","Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O","Acta Crystallographica Section C","1998","54","5","567","569","10.1107/S0108270197015497","","","0.7107","MoKα","","0.0381","0.021","","0.0558","0.0507","","","","1.085","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007239","8.107","0.003","8.53","0.003","7.339","0.003","90.11","0.03","98.44","0.03","94.859","0.003","500.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Crystal structure of 2,4 dichlorophenyloxy acetyl hydrazine","","- C8 H8 Cl2 N2 O2 -","- C8 H8 Cl2 N2 O2 -","- C16 H16 Cl4 N4 O4 -","2","1","KA1248","Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P.","(2,4-Dichlorophenoxy)acetohydrazide","Acta Crystallographica Section C","1998","54","5","669","670","10.1107/S0108270197018416","","","0.71069","MoKα","","0.0603","0.0439","","0.1539","0.1326","","","","1.166","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007240","4.644","0.003","16.559","0.005","7.007","0.003","90","","94.19","0.04","90","","537.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","KA1251","F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger","2,2'-Bibenzoxazole","Acta Crystallographica Section C","1998","54","5","668","669","10.1107/S0108270197018143","","","0.71073","MoKα","","0.0533","0.0444","","","","0.1328","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007241","7.1513","0.0006","8.2054","0.0006","8.3385","0.0006","117.264","0.006","96.049","0.006","100.497","0.006","417.56","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Ammonium saccharin","Ammonium o-sulfobenzoimide","","- C7 H8 N2 O3 S -","- C7 H8 N2 O3 S -","- C14 H16 N4 O6 S2 -","2","1","KA1255","Ng, Seik Weng","Ammonium Saccharin","Acta Crystallographica Section C","1998","54","5","649","651","10.1107/S0108270197014868","","","0.71073","MoKα","","0.037","0.033","","0.101","0.097","","","","1.067","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007242","7.855","0.002","9.982","0.002","11.589","0.002","90","","90","","90","","908.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenyl-2-pyridylketone","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","LN1015","Sievert, Mark; Dienelt, Ruediger; Bock, Hans","Phenyl 2-Pyridyl Ketone at 150K","Acta Crystallographica Section C","1998","54","5","674","676","10.1107/S0108270197017940","","","0.71073","MoKα","","0.0441","0.0373","","0.106","0.0968","","","","1.036","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007243","7.655","0.002","10.867","0.002","12.082","0.002","103.44","0.02","102.75","0.02","105.89","0.02","895.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Triiodide","","- C24 H22 I6 S6 -","- C24 H22 I6 S6 -","- C24 H22 I6 S6 -","1","0.5","LN1043","Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate","Acta Crystallographica Section C","1998","54","5","679","681","10.1107/S010827019701768X","","","0.71073","MoKα","","0.1005","0.0346","","0.1007","0.0819","","","","1.006","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007244","11.087","0.005","10.4329","0.001","14.325","0.009","90","","104.32","0.02","90","","1605.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methoxylphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene) ethane Perchlorate","","- C26 H26 Cl2 O10 S6 -","- C26 H26 Cl2 O10 S6 -","- C52 H52 Cl4 O20 S12 -","2","0.5","LN1043","Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate","Acta Crystallographica Section C","1998","54","5","679","681","10.1107/S010827019701768X","","","0.71073","MoKα","","0.0697","0.0384","","0.1096","0.0948","","","","1.019","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007245","33.354","0.007","10.26","0.002","17.4","0.004","90","","90","","90","","5954","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane","","- C20.5 H46 B9 Cl P2 Pt -","- C20.5 H46 B9 Cl P2 Pt -","- C164 H368 B72 Cl8 P16 Pt8 -","8","2","MU1341","Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O.","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-<i>closo</i>-dodecaborane 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","5","588","591","10.1107/S0108270197017204","","","0.71073","MoKα","","0.051","0.033","","0.08","0.075","","","","1.063","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007246","8.873","0.001","12.921","0.001","24.812","0.003","90","","100.16","0.01","90","","2800","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Chloro-6,7-dihydro-5H benzo[6,7]cyclohepta[1,2-b]quinoline","","- C18 H14 Cl N -","- C18 H14 Cl N -","- C144 H112 Cl8 N8 -","8","2","MU1348","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","10-Chloro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline and 10-Methyl-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline","Acta Crystallographica Section C","1998","54","5","641","643","10.1107/S0108270197017654","","","0.71073","MoKα","","0.114","0.0433","","0.1031","0.0871","","","","0.798","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007247","8.972","0.005","12.973","0.004","24.699","0.009","90","","98.41","0.03","90","","2844","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-Methyl-6,7-dihydro-5H[benzo][6,7]cyclohepta[1,2-b]qinoline","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","2","MU1348","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","10-Chloro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline and 10-Methyl-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline","Acta Crystallographica Section C","1998","54","5","641","643","10.1107/S0108270197017654","","","0.71073","MoKα","","0.167","0.0537","","0.1326","0.1006","","","","0.81","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007248","9.965","0.002","21.188","0.004","16.792","0.003","90","","93.1","0.03","90","","3540.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 I2 N10 Zr -","- C40 H20 I2 N10 Zr -","- C160 H80 I8 N40 Zr4 -","4","1","MU1357","Kubiak, Ryszard; Ejsmont, Krzysztof","(1,2-Benzenedicarbonitrile-κ<i>N</i>)diiodo(phthalocyaninato-κ^4^<i>N</i>)zirconium(IV)","Acta Crystallographica Section C","1998","54","5","572","574","10.1107/S0108270197017691","","","0.71073","MoKα","","0.1228","0.0467","","0.0889","0.0741","","","","1.018","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007249","17.786","0.002","14.504","0.001","7.437","0.003","90","","90","","90","","1918.5","0.8","295","0.1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}","","- C12 H14 Cl4 Hg2 N2 S2 -","- C12 H14 Cl4 Hg2 N2 S2 -","- C48 H56 Cl16 Hg8 N8 S8 -","4","0.5","MU1360","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena","Di-μ-chloro-bis[(2-ammoniobenzenethiolato-<i>S</i>)chloromercury(II)]","Acta Crystallographica Section C","1998","54","5","574","576","10.1107/S0108270197016788","","","0.71073","MoKα","","0.0778","0.0368","","","","0.0772","","","","","","1.038","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2007250","7.8069","0.0012","15.768","0.004","16.398","0.003","90","","90","","90","","2018.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)","","- C8 H7 Cl2 N3 Pd -","- C8 H7 Cl2 N3 Pd -","- C64 H56 Cl16 N24 Pd8 -","8","1","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0284","0.0236","","0.0632","0.0619","","","","1.108","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007251","11.752","0.003","5.1373","0.0008","12.288","0.002","90","","104.62","0.02","90","","717.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[3-(2-pyridyl)pyrazolato]palladium(II)","","- C16 H12 N6 Pd -","- C16 H12 N6 Pd -","- C32 H24 N12 Pd2 -","2","0.5","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0216","0.0177","","0.0501","0.0495","","","","1.043","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007252","13.186","0.006","5.279","0.001","27.288","0.004","90","","90","","90","","1899.5","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquachlorobis(pyridinioacetato)copper(II) perchlorate","","- C14 H18 Cl2 Cu N2 O10 -","- C14 H18 Cl2 Cu N2 O10 -","- C56 H72 Cl8 Cu4 N8 O40 -","4","1","MU1368","Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W.","Diaquachlorobis(4-pyridinioacetate-<i>O</i>)copper(II) Perchlorate","Acta Crystallographica Section C","1998","54","5","606","608","10.1107/S0108270197017216","","","0.71073","MoKα","","0.0442","0.0346","","0.0827","0.0773","","","","1.077","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007253","6.081","0.001","6.957","0.001","19.707","0.004","90","","95.46","0.03","90","","829.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cl N2 O2 -","- C7 H7 Cl N2 O2 -","- C28 H28 Cl4 N8 O8 -","4","1","MU1371","Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Bujak, Maciej","4-Chloro-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","1998","54","5","672","674","10.1107/S0108270197017708","","","0.71073","MoKα","","0.0845","0.0673","","0.2322","0.2044","","","","1.106","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007254","12.206","0.005","15.259","0.003","20.718","0.008","90","","100.51","0.03","90","","3794","2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","mono methylcyclopentadienyl bis(2,6-ditertbutyl-4-methylphenoxo) ytterbium tetrafuranate","","- C40 H61 O3 Yb -","- C40 H61 O3 Yb -","- C160 H244 O12 Yb4 -","4","1","NA1292","Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(η^5^-methylcyclopentadienyl)(tetrahydrofuran-<i>O</i>)ytterbium","Acta Crystallographica Section C","1998","54","5","625","627","10.1107/S0108270197015205","","","0.71069","MoKα","","","0.029","","","0.039","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007255","19.033","0.002","13.661","0.001","9.546","0.001","90","","95.72","0.01","90","","2469.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis[2'hydroxy-3'-(N-ethylimino)-5'-methylbenzyl]-piperazine","","- C26 H36 N4 O2 -","- C26 H34.5 N4 O2 -","- C104 H138 N16 O8 -","4","1","NA1317","R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy","1,4-Bis[3-(<i>N</i>-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine","Acta Crystallographica Section C","1998","54","5","644","645","10.1107/S0108270197017514","","","0.71073","MoKα","","0.0888","0.0445","","0.1359","0.1171","","","","0.908","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007256","9.855","0.007","28.479","0.009","6.28","0.001","90","","90","","90","","1762.5","1.4","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 3,4-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.044","","","0.044","","","","","2.392","2.392","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007257","6.163","0.001","10.199","0.009","14.14","0.009","90","","94.112","0.009","90","","886.5","1","298","","","","","","","","","","","5","P 1 21 1","","","","L-leucine 2,5-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C28 H50 N2 O12 S2 -","2","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.049","","","0.06","","","","","3.729","3.729","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2007258","9.866","0.002","28.201","0.009","6.25","0.002","90","","90","","90","","1738.9","0.9","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 4-methylbenzenesulfonate monohydrate","","- C13 H23 N O6 S -","- C13 H23 N O6 S -","- C52 H92 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.047","","","0.055","","","","","2.86","2.86","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007259","5.264","0.003","10.084","0.004","24.758","0.003","90","","93.02","0.04","90","","1312.4","0.9","298.2","","298.2","","","","","","","","","4","P 1 21 1","P 2yb","4","1-phenyl-1,2,3,4-tetrahydroisoquinolinine monohydrochloride","","","- C15 H16 Cl N -","- C15 H16 Cl N -","- C60 H64 Cl4 N4 -","4","2","OA1027","Nakahara, Hideaki; Takeuchi, Makoto; Naito, Ryo; Kurihara, Hiroyuki; Nagano, Noriaki; Isomura, Yasuo; Mase, Toshiyasu","Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride","Acta Crystallographica Section C","1998","54","5","651","653","10.1107/S0108270197018581","","","1.54184","CuKα","","","0.059","","","0.077","","","","","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007260","10.797","0.003","11.933","0.003","12.939","0.003","82.457","0.001","66.762","0.001","70.985","0.001","1448.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H100 Al2 Er2 O14 -","- C42 H100 Al2 Er2 O14 -","- C42 H100 Al2 Er2 O14 -","1","0.5","OS1001","Kritikos, Mikael; Wijk, Maria; Westin, Gunnar","[Er~2~Al~2~(O^<i>i^</i>Pr)~12~(HO^<i>i^</i>Pr)~2~], a Novel Heterobimetallic Alkoxide","Acta Crystallographica Section C","1998","54","5","576","578","10.1107/S0108270197017460","","","0.71073","MoKα","","0.025","0.0237","","0.0626","","0.0618","","","1.088","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007261","20.252","0.002","13.638","0.001","13.132","0.001","90","","100.401","0.008","90","","3567.4","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexakis(N,N-dimethylformamide)aluminium(III) perchlorate","","- C18 H42 Al Cl3 N6 O18 -","- C18 H42 Al Cl3 N6 O18 -","- C72 H168 Al4 Cl12 N24 O72 -","4","0.5","OS1003","Suzuki, Honoh; Ishiguro, Shin-ichi","<i>N</i>,<i>N</i>-Dimethylformamide Complex of Aluminium(III) Perchlorate","Acta Crystallographica Section C","1998","54","5","586","588","10.1107/S0108270197018817","","","1.54184","CuKα","","0.0603","0.0556","","0.1695","0.1625","","","","1.089","1.106","1.106","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007262","9.012","0.002","13.492","0.002","16.808","0.002","90","","95.991","0.001","90","","2032.5","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O4 S -","- C22 H16 Br N O4 S -","- C88 H64 Br4 N4 O16 S4 -","4","1","PT1045","Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","(3-Bromo-1-phenylsulfonyl-2-indolyl)methyl Benzoate","Acta Crystallographica Section C","1998","54","5","635","637","10.1107/S0108270197016995","","","0.71073","MoKα","","0.0909","0.0509","","0.1311","0.1101","","","","1.069","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007263","8.6696","0.0007","11.1396","0.0007","21.1975","0.0007","90","","92.49","0.02","90","","2045.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","PT1052","V.K. Ganesh; S.Banumathi; D.Velmurugan; N. Ramasubbu; V.T.Ramakrishnan","9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","5","633","635","10.1107/S0108270197017009","","","1.5418","CuKα","","0.0722","0.0511","","0.1762","0.1522","","","","0.61","0.612","0.612","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007264","18.1623","0.0007","9.5124","0.0003","17.8745","0.0007","90","","106.063","0.003","90","","2967.56","0.19","150","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenylphosphine sulfide","","- C18 H15 P S -","- C18 H15 P S -","- C144 H120 P8 S8 -","8","2","QA0032","Foces-Foces, C.; Llamas-Saiz, A.L.","Triphenylphosphine Sulfide: a Redetermination at 150K","Acta Crystallographica Section C","1998","54","5","IUC9800013","","10.1107/S0108270198099673","","","1.5418","CuKα","","0.04","0.036","","0.045","0.043","","","","0.989","0.99","0.99","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007265","14.247","0.002","11.371","0.002","16.727","0.003","90","","90.33","0.01","90","","2709.8","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","(μ-dicyclohexylphosphido)(μ-trifluormethyl-mercury)-octacarbonyl-dirhenium","","- C21 H22 F3 Hg O8 P Re2 -","- C21 H22 F3 Hg O8 P Re2 -","- C84 H88 F12 Hg4 O32 P4 Re8 -","4","0.5","QA0033","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl(μ-dicyclohexylphosphanido)(μ-trifluoromethylmercury)dirhenium","Acta Crystallographica Section C","1998","54","5","IUC9800015","","10.1107/S0108270198099727","","","0.71073","MoKα","","0.0626","0.0364","","0.0861","0.074","","","","0.99","1.041","1.041","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007266","9.722","0.002","11.36","0.002","13.123","0.003","66.16","0.02","87.77","0.02","75.19","0.02","1278.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-cyclohexylphosphido)-octacarbonyl-manganese-rhenium","","- C20 H24 Mn O8 P2 Re -","- C20 H22 Mn O8 P2 Re -","- C40 H44 Mn2 O16 P4 Re2 -","2","1","QA0035","Flörke, Ulrich","Octacarbonylbis(μ-cyclohexylphosphanido)manganeserhenium","Acta Crystallographica Section C","1998","54","5","IUC9800016","","10.1107/S0108270198099715","","","0.71073","MoKα","","0.066","0.0394","","0.0944","0.0848","","","","1.102","1.166","1.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007267","10.228","0.004","25.01","0.009","10.823","0.005","90","","114.59","0.03","90","","2517.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(μ-dicyclohexyl)(μ-chloro)bis(triphenylphosphane-tricarbonyl-rhenium)","","- C54 H52 Cl O6 P3 Re2 -","- C54 H49 Cl O6 P3 Re2 -","- C108 H98 Cl2 O12 P6 Re4 -","2","0.5","QA0036","Flörke, Ulrich","μ-Chloro-(μ-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium]","Acta Crystallographica Section C","1998","54","5","IUC9800017","","10.1107/S0108270198099703","","","0.71073","MoKα","","0.0959","0.0469","","0.1347","0.0903","","","","1.045","1.023","1.023","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2007268","8.282","0.0002","7.8396","0.0001","20.2459","0.0004","90","","99.613","0.001","90","","1296.06","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-hydroxy-N-(4-nitrophenyl)phenethylamine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","QA0037","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","β-Hydroxy-<i>N</i>-(4-nitrophenyl)phenethylamine","Acta Crystallographica Section C","1998","54","5","IUC9800012","","10.1107/S0108270198099685","","","0.71073","MoKα","","0.0634","0.046","","0.1225","0.1101","","","","1.038","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007269","15.9935","0.0007","17.3378","0.0006","17.5073","0.0007","90","","101.542","0.005","90","","4756.5","0.3","148","","148","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetrabutylammonium) Nonadecaoxohexamolybdenum(VI)","","- C32 H72 Mo6 N2 O19 -","- C32 H72 Mo6 N2 O19 -","- C128 H288 Mo24 N8 O76 -","4","0.5","QB0032","Boyle, Paul D.; Stauffer, Thad C.; Wirgau, Joseph I.; Cornman, Charles R.","Bis(tetra-<i>n</i>-butylammonium) Nonadecaoxohexamolybdenum(VI): a Redetermination at 148K","Acta Crystallographica Section C","1998","54","5","IUC9800011","","10.1107/S0108270198099739","","","0.71073","MolybdenumKα","","0.035","0.035","","0.043","0.042","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007270","5.999","0.001","5.999","0.001","5.999","0.001","90","","90","","90","","215.89","0.06","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","lithium tantalum phosphide","","","- Li7.5 P4 Ta0.5 -","- Li7.5072 P4 Ta0.4896 -","- Li7.5072 P4 Ta0.4896 -","1","0.00520833","QB0037","Monconduit, Laure; Belin, Claude; Tillard, Monique","The New Mixed Lithium Tantalum Phosphide Li~8{-~<i>x</i>}Ta~<i>x~</i>P~4~ (<i>x</i> = 0.5)","Acta Crystallographica Section C","1998","54","5","IUC9800014","","10.1107/S0108270198099740","","","0.71073","MoKα","","0.0304","0.0304","","","","0.0707","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007271","6.5694","0.0015","8.917","0.002","13.696","0.003","90","","96.14","0.03","90","","797.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(2-aminobenzyl)-1,4-diazacyclohexane","","- C18 H24 N4 -","- C18 H24 N4 -","- C36 H48 N8 -","2","0.5","QB0038","Li, Wan-Sheung; Vatsadze, Sergei V.; Blake, Alexander J.; Mountford, Philip","1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane","Acta Crystallographica Section C","1998","54","5","IUC9800019","","10.1107/S0108270198099661","","","0.71073","MoKα","","0.0484","0.0357","","","","0.0919","","","","","","1.102","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007272","6.644","0.013","23.03","0.004","8.856","0.003","90","","99.64","0.02","90","","1336","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-nitrobenzyl)diethanolamine hydrobromide","N-(2-nitrobenzyl)diethanolammonium bromide","","- C11 H17 Br N2 O4 -","- C11 H17 Br N2 O4 -","- C44 H68 Br4 N8 O16 -","4","1","QB0039","Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Mountford, Philip; Schröder, Martin; Wilson, Paul J.","Bis(2-hydroxyethyl)(2-nitrobenzyl)ammonium Bromide","Acta Crystallographica Section C","1998","54","5","IUC9800020","","10.1107/S0108270198098783","","","0.71073","MoKα","","0.0724","0.048","","","","0.1171","","","","","","1.029","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007273","9.739","0.001","9.739","0.001","16.921","0.001","90","","90","","90","","1604.9","0.3","198","","198","","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H56 Li2 N2 O2 Si4 -","- C20 H56 Li2 N2 O2 Si4 -","- C40 H112 Li4 N4 O4 Si8 -","2","0.25","QC0002","Boyle, Timothy J.; Scott, Brian L.","Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~","Acta Crystallographica Section C","1998","54","5","IUC9800018","","10.1107/S0108270198099697","","","0.71073","MoKα","","0.0402","0.0358","","0.1063","0.1022","","","","1.323","1.326","1.326","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007274","14.135","0.002","9.884","0.001","10.877","0.001","90.01","0.01","118.95","0.01","90.004","0.001","1329.7","0.3","180","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole oxide","","- C12 H13 Br2 O P -","- C12 H13 Br2 O P -","- C48 H52 Br8 O4 P4 -","4","1","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0378","0.0309","","0.0749","0.0727","","","","1.137","1.172","1.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007275","7.843","0.001","26.024","0.003","14.003","0.002","90","","96.95","0.02","90","","2837.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole sulfide","","- C12 H13 Br2 P S -","- C12 H13 Br2 P S -","- C96 H104 Br16 P8 S8 -","8","2","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0908","0.0509","","0.1495","0.1416","","","","1.193","1.531","1.531","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007276","7.3535","0.0015","7.9457","0.0017","11.731","0.002","92.61","0.02","96.96","0.02","109.53","0.02","638.5","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","1-phenyl-2-bromo-3,4-dimethylphosphole sulfide","","- C12 H12 Br P S -","- C12 H12 Br P S -","- C24 H24 Br2 P2 S2 -","2","1","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0427","0.0364","","","0.095","0.0997","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007277","7.2897","0.0005","19.692","0.003","7.523","0.002","90","","92.18","0.02","90","","1079.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3-formyl-2,4-dinitrophenolate dihydrate","","- C7 H7 K N2 O8 -","- C7 H7 K N2 O8 -","- C28 H28 K4 N8 O32 -","4","1","SK1160","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. D'A. Rocha; Serra, A.C.","Potassium 3-Formyl-2,4-dinitrophenolate Dihydrate","Acta Crystallographica Section C","1998","54","5","618","621","10.1107/S0108270197017484","","","0.71073","MoKα","","0.0521","0.0317","","","0.0801","0.0889","","","","","","1.075","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007278","10.082","0.002","10.187","0.001","10.304","0.002","88.5","0.02","70.62","0.01","88.19","0.02","997.7","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","2,2'-Bis(1-cyclohexanol)-biphenyl","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0642","0.0466","","","","0.1226","","","","","","1.061","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007279","10.062","0.001","16.307","0.001","11.398","0.002","90","","97.83","0.01","90","","1852.8","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2,7,7-Bis(pentamethylene)-dibenzo[c;e]-dihydro-oxepin","","- C24 H28 O -","- C24 H28 O -","- C96 H112 O4 -","4","2","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0473","0.0392","","","","0.0907","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007280","5.308","0.001","7.781","0.001","10.453","0.001","99.38","0.01","95.87","0.01","99.93","0.01","415.78","0.11","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","4,5-9,10-Dicyclodexapyrene","","- C24 H26 -","- C24 H26 -","- C24 H26 -","1","0.5","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0567","0.045","","","","0.1254","","","","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007281","13.3409","0.001","5.8353","0.0005","15.0408","0.001","90","","100.142","0.008","90","","1152.6","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Δ^4^-7,7-ethylenedioxy-10-methyl-octal-1-one","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","SX1036","Branco, Marcelo Cardoso; Rodrigues, Ana Maria Goncalves D.; Gambardella, Maria Teresa do P.; Muzzi, Rosana M.; Ferraz, Helena M. C.","Δ^4^-7,7-Ethylenedioxy-10-methyloctal-1-one","Acta Crystallographica Section C","1998","54","5","664","666","10.1107/S0108270197019173","","","0.71073","MoKα","","0.1224","0.053","","0.1737","0.1389","","","","1.023","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007282","8.313","0.005","17.486","0.007","10.566","0.005","90","","90","","90","","1535.9","1.3","301","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetraethylammonium Dicopper Triiodide","","- C8 H20 Cu2 I3 N -","- C8 H20 Cu2 I3 N -","- C32 H80 Cu8 I12 N4 -","4","1","SX1046","Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt","Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","597","600","10.1107/S0108270197017496","","","0.71073","MoKα","","","0.047","","","","0.053","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007283","15.44","0.007","17.635","0.006","8.422","0.003","90","","97.14","0.04","90","","2275.4","1.5","301","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 18-Crown-6 Dicopper Triiodide","","- C12 H24 Cu2 I3 K O6 -","- C22 H44 Cu2 I3 K O12 -","- C88 H176 Cu8 I12 K4 O48 -","4","1","SX1046","Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt","Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","597","600","10.1107/S0108270197017496","","","0.71073","MoKα","","","0.086","","","","0.218","","","","","","0.892","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007284","25.19","0.03","11.177","0.012","16.86","0.03","90","","120.36","0.07","90","","4096","10","301","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cesium 15-crown-5 Dicopper(I) Triiodide","","- C10 H20 Cs Cu2 I3 O5 -","- C10 H20 Cs Cu2 I3 O5 -","- C80 H160 Cs8 Cu16 I24 O40 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0595","","","","0.0685","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007285","23.818","0.014","10.956","0.006","17.071","0.01","90","","119.75","0.02","90","","3868","4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium 15-crown-5 Dicopper(I) Triiodide","","- C10 H20 Cu2 I3 K O5 -","- C10 H20 Cu2 I3 K O5 -","- C80 H160 Cu16 I24 K8 O40 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0586","","","","0.0694","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007286","24.613","0.003","11.17","0.001","17.211","0.003","90","","119.9","0.01","90","","4102","1","301","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rubidium 15-Crown-5 Dicopper Triiodide","","- C10 H20 Cu2 I3 O5 Rb -","- C10 H20 Cu2 I3 O5 Rb -","- C80 H160 Cu16 I24 O40 Rb8 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0584","","","","0.0575","","","","","","0.93","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007287","11.027","0.003","12.1065","0.0012","13.199","0.003","90","","106.45","0.02","90","","1689.9","0.6","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trans-3-methoxy-4-nitro-3'4'5'-trimethoxy stilbene","(E)-1-(3'-methoxy-4'-nitrophenyl)-2-(3'',4'',5''-trimethoxyphenyl) ethene","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","SX1050","Mullica, Donald F.; Pinney, Kevin G.; Mejia, Pilar; Rosenquist, Brent E.; Sappenfield, Eric L.","(<i>E</i>)-1-(3-Methoxy-4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene","Acta Crystallographica Section C","1998","54","5","695","697","10.1107/S0108270197019902","","","0.71073","MoKα","","0.066","0.045","","0.531","","0.071","","","","","","1.805","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007288","10.898","0.004","8.807","0.002","14.189","0.002","90","","94.14","0.02","90","","1358.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-Methylphenazinium)tetranitropalladate(II)","","- C26 H22 N8 O8 Pd -","- C26 H22 N8 O8 Pd -","- C52 H44 N16 O16 Pd2 -","2","0.5","TA1144","Namgung, Hae; Kim, Seung-Bin; Suh, Il-Hwan","Bis[<i>N</i>-methylphenazinium(1+)] Tetranitropalladate(II)","Acta Crystallographica Section C","1998","54","5","612","614","10.1107/S0108270197007208","","","0.71073","MoKα","","0.0554","0.0293","","0.0617","0.0577","","","","1.102","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007289","9.19","0.005","9.232","0.002","9.66","0.002","79.15","0.01","85.82","0.03","65.39","0.04","731.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","biammonium trisodium nonadecaoxo(tritungsto)trivanadate dodecahydrate","","- H32 N2 Na3 O31 V3 W3 -","- N2 Na3 O31 V3 W3 -","- N2 Na3 O31 V3 W3 -","1","0.5","TA1182","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Wang, Tie-Gang; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~2~Na~3~(V~3~W~3~O~19~).12H~2~O","Acta Crystallographica Section C","1998","54","5","563","565","10.1107/S0108270197016417","","","0.71073","MoKα","","0.073","0.0667","","0.1792","0.1598","","","","1.203","1.226","1.226","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007290","21.88","0.002","13.918","0.001","23.829","0.002","90","","105.745","0.001","90","","6984.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 N12 Ni2 O23 V4 -","- C60 H48 N12 Ni2 O23 V4 -","- C240 H192 N48 Ni8 O92 V16 -","4","0.5","TA1193","Guo-Yu Yang; Da-Wei Gao; Ying Chen; Ji-Qing Xu; Qing-Xin Zeng; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yan Xing; Yong-Hua Ling; Heng-Qing Jia","[Ni(C~10~H~8~N~2~)~3~]~2~[V~4~O~12~].11H~2~O","Acta Crystallographica Section C","1998","54","5","616","618","10.1107/S0108270197018751","","","0.71073","MoKα","","0.0528","0.0376","","0.1077","0.1016","","","","0.962","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007291","29.357","0.004","7.096","0.006","20.201","0.004","90","","128.472","0.008","90","","3295","3","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","","","","","","- C18 H10 Cl2 N4 Pt -","- C27 H15 Cl3 N6 Pt1.5 -","- C216 H120 Cl24 N48 Pt12 -","8","1","TA1194","Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru","Two-Dimensional Stacking of Dichloro(dipyridophenazine)platinum(II)","Acta Crystallographica Section C","1998","54","5","621","623","10.1107/S0108270197018052","","","0.7107","MoKα","","0.076","0.076","","0.103","0.103","","","","1.176","1.176","1.176","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007292","10.665","0.005","7.219","0.002","23.662","0.003","90","","90","","90","","1821.8","1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Neodymium diselenite seleniousf acid dihydrate","","- H6 Nd2 O20 Se7 -","- H6 Nd2 O20 Se7 -","- H24 Nd8 O80 Se28 -","4","1","AB1466","Miluvka Stancheva; Rosica Petrova; Josef Macíček","Neodymium Diselenite Selenious Acid Dihydrate: Structure and Conformation of the Se~2~O~5~ Group","Acta Crystallographica Section C","1998","54","6","699","701","10.1107/S0108270197019318","","","0.71069","MoKα","","0.0321","0.0277","","","","0.0708","","","","","","0.897","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007293","16.675","0.003","7.163","0.001","8.1","0.002","90","","90","","90","","967.5","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Trimethylammoniumnickel(II)chloridedihydrate","Trimethylammoniumdiaquodichloronickel(II)chloride","","- C3 H14 Cl3 N Ni O2 -","- C3 H14 Cl3 N Ni O2 -","- C12 H56 Cl12 N4 Ni4 O8 -","4","0.5","AB1508","Thiele, Gerhard; Wittenburg, Gunnar","Trimethylammonium Nickel(II) Chloride Dihydrate","Acta Crystallographica Section C","1998","54","6","764","766","10.1107/S0108270198000109","","","0.71069","MoKα","","0.0836","0.0271","","","","0.0789","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007294","25.281","0.004","6.741","0.001","15.559","0.003","90","","101.92","0.03","90","","2594.4","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","AB1513","Gigmes, Didier; Siri, Didier; Reboul, Jean-Pierre; Redouane, Nourredine; Tordo, Paul; Pèpe, Gerard","2-Methyl-2-(10-phenoxazinyl)propiononitrile","Acta Crystallographica Section C","1998","54","6","822","824","10.1107/S010827019701932X","","","0.71073","MoKα","","0.0455","0.044","","0.0896","0.0893","","","","0.961","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007295","11.2662","0.0013","9.8162","0.001","17.2773","0.0018","90","","102.47","0.01","90","","1865.6","0.4","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 N3 -","- C21 H17 Cl2 N3 -","- C84 H68 Cl8 N12 -","4","1","AB1518","Kendi, Engin; Özbey, Süheyla; Tunçbilek, Meral; Göker, Hakan","1-Benzyl-2-(2,6-dichloroanilinomethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","1998","54","6","854","856","10.1107/S0108270197019331","","","0.71073","MoKα","","","0.0336","","","0.039","","","","","0.71","0.71","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007296","9.716","0.003","10.447","0.004","16.303","0.006","87.56","0.03","89.14","0.03","88.1","0.03","1652.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis (guanidinium) (hydrogentriethylene tetraamine-hexaacetato) bismuthate III","","- C20 H45 Bi N10 O16 -","- C20 H37 Bi N10 O16 -","- C40 H74 Bi2 N20 O32 -","2","1","AB1531","Wullens, Hilda; Devillers, Michel; Tinant, Bernard; Declercq, Jean-Paul","Bis(guanidinium) (Hydrogen triethylenetetraminehexaacetato)bismuthate(III) Tetrahydrate","Acta Crystallographica Section C","1998","54","6","770","773","10.1107/S0108270198000882","","","0.71069","MoKα","","0.078","0.055","","0.126","","0.119","","","0.983","","","1.061","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007297","9.921","0.001","9.921","0.001","26.88","0.005","90","","90","","120","","2291.2","0.5","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","(2R,4S,6S)-(+)-2-N-benzylmethyl-amino-2-thio-4,6- dimethyl-1,3,2-dioxaphosphorinane","","","- C13 H20 N O2 P S -","- C13 H20 N O2 P S -","- C78 H120 N6 O12 P6 S6 -","6","1","BK1328","Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara","(4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane","Acta Crystallographica Section C","1998","54","6","832","834","10.1107/S0108270197020179","","","0.71073","MoKα","","0.055","0.037","","0.112","0.106","","","","1.137","1.262","1.262","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007298","12.861","0.002","14.328","0.002","23.929","0.002","90","","99.784","0.011","90","","4345.3","1","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","biphenyl-2-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","4","BK1371","Dobson, Allison J.; Gerkin, Roger E.","Biphenyl-2-carboxylic Acid: a Layered Structure","Acta Crystallographica Section C","1998","54","6","795","798","10.1107/S0108270197018738","","","0.71073","MoKα","","","0.052","","","","0.137","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007299","9.889","0.002","10.208","0.003","9.466","0.006","85.81","0.04","79.79","0.03","79.14","0.02","922.8","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)","Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)","","- C38 H48 Cl2 N2 O2 Sn -","- C38 H48 Cl2 N2 O2 Sn -","- C38 H48 Cl2 N2 O2 Sn -","1","0.5","BK1372","Yeap, Guan-Yeow; Ishizawa, Nobuo","Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-<i>O</i>}tin(IV)","Acta Crystallographica Section C","1998","54","6","720","722","10.1107/S010827019701874X","","","0.7107","MoKα","","0.053","0.029","","0.022","0.02","","","","1.462","1.587","1.587","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007300","4.851","0.004","6.288","0.005","9.781","0.008","99.96","0.07","101.26","0.07","91.04","0.07","287.8","0.4","150","1","150","2","","","","","","","","4","P 1","P 1","1","3-acetamido-2-nitrobenzyl acetate","3-acetamido-2-nitrobenzyl acetate","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","1","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71073","MoKα","","0.0454","0.0371","","0.1047","0.0971","","","","1.144","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007301","4.874","0.007","17.833","0.016","13.277","0.015","90","","92.35","0.1","90","","1153","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Acetamido-6-nitrobenzyl acetate","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71073","MoKα","","0.0702","0.0426","","0.1217","0.1095","","","","1.091","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007302","7.453","0.003","10.939","0.005","15.473","0.009","90","","93.84","0.03","90","","1258.7","1.1","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetamido-6-nitrobenzyl acetate monohydrate","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71069","MoKα","","0.0746","0.0441","","0.1386","0.1185","","","","1.058","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007303","8.58","0.001","13.901","0.002","19.977","0.003","90","","98.57","0.02","90","","2356.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","BM1178","Luccioni-Houzé, Barbara; Giusti, Gerard; Pèpe, Gérard","5'-[2-(<i>N</i>-<i>tert</i>-Butylethanal nitrone)]-1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-<i>b</i>][1,4]oxazine]","Acta Crystallographica Section C","1998","54","6","824","825","10.1107/S0108270197012882","","","0.71069","MoKα","","0.046","0.036","","0.066","0.065","","","","0.923","0.991","0.991","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007304","9.0996","0.0007","10.9985","0.0009","11.3214","0.0008","98.956","0.007","109.026","0.006","103.602","0.006","1007.29","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5-Amino-8-cyano-2,4-diphenyl-7-(pyrrolidin-1yl)-1,6-naphthyridine","","- C25 H21 N5 -","- C25 H21 N5 -","- C50 H42 N10 -","2","1","BM1213","Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan","5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","1998","54","6","781","783","10.1107/S0108270197019574","","","0.71073","MoKα","","0.0738","0.0448","","0.1341","0.1207","","","","0.938","1.078","1.078","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007305","5.7358","0.0015","14.693","0.002","13.112","0.0012","90","","98.87","0.04","90","","1091.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-5-nitrobenzophenone","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","BM1214","Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland","2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone","Acta Crystallographica Section C","1998","54","6","856","859","10.1107/S0108270197018969","","","0.7107","MoKα","","0.0693","0.0378","","0.0768","0.0718","","","","0.757","0.957","0.957","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007306","4.215","0.0017","13.602","0.0018","21.547","0.007","90","","94.748","0.0011","90","","1231.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-methylamino-9-fluoro-5-nitrobenzophenone","","- C14 H11 F N2 O3 -","- C14 H11 F N2 O3 -","- C56 H44 F4 N8 O12 -","4","1","BM1214","Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland","2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone","Acta Crystallographica Section C","1998","54","6","856","859","10.1107/S0108270197018969","","","0.7107","MoKα","","0.1122","0.0334","","","","0.0682","","","","","","0.496","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007307","13.409","0.003","12.6654","0.0009","8.9671","0.0011","90","","90.308","0.012","90","","1522.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1-Naphthoyl)-5,8-dihydronaphthalene-1-ol","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BM1218","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-(1-Naphthoyl)-5,8-dihydronaphthalen-1-ol","Acta Crystallographica Section C","1998","54","6","783","785","10.1107/S010827019800050X","","","0.71073","MoKα","","0.151","0.037","","0.079","0.061","","","","0.727","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007308","10.2947","0.001","16.368","0.002","10.3822","0.001","90","","96.845","0.01","90","","1737","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,7,10-Tetraoxacyclododecane Di(benzenesulfonyl)amine (1:2)","","- C32 H38 N2 O12 S4 -","- C32 H38 N2 O12 S4 -","- C64 H76 N4 O24 S8 -","2","0.5","BM1226","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CI. 1,4,7,10-Tetraoxacyclododecane‒Di(benzenesulfonyl)amine (1/2)","Acta Crystallographica Section C","1998","54","6","818","820","10.1107/S0108270198002376","","","0.71073","MoKα","","0.037","0.028","","0.073","0.07","","","","1.037","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007309","10.179","0.001","10.179","0.001","11.674","0.002","90","","90","","120","","1047.5","0.2","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","Hexamolybdenum Octatelluride","","- Mo6 Te8 -","- Mo6 Te8 -","- Mo18 Te24 -","3","0.166667","BR1198","Miller, Gordon J.; Smith, Mark","Hexamolybdenum Octatelluride, Mo~6~Te~8~","Acta Crystallographica Section C","1998","54","6","709","710","10.1107/S0108270197017812","","","0.71073","MoKα","","0.0405","0.0387","","0.1097","","0.1091","","","1.171","1.187","1.187","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2007310","7.269","0.001","8.03","0.002","11.055","0.002","90","","103.76","0.03","90","","626.8","0.2","293","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R*,2R*,4R*,5S*,1'E)-1,2,4-trichloro-5-(2'-chloroethenyl-1,5- dimethylcyclohexane)","","- C10 H14 Cl4 -","- C10 H14 Cl4 -","- C20 H28 Cl8 -","2","1","BS1027","Rivera, Patricio; Manríquez, Victor; Wittke, Oscar","Absolute Configuration of a Tetrachloro Monoterpene from <i>Plocamium cartilagineum</i>","Acta Crystallographica Section C","1998","54","6","816","818","10.1107/S0108270197017976","","","0.71073","MoKα","","0.0266","0.0258","","0.0724","0.0713","","","","1.09","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007311","11.4731","0.0004","12.2009","0.0004","17.6234","0.0007","72.477","0.003","75.764","0.003","62.294","0.002","2066.3","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5-5'-diacetyl-2-2'-diethoxy-3-3'-dimethoxy-1,1'-biphenyl","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","2","BS1044","Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.","Lignin Model Compounds: 4,4'-<i>O</i>-Dimethyldehydrodiacetovanillone and 4,4'-<i>O</i>-Diethyldehydrodiacetovanillone","Acta Crystallographica Section C","1998","54","6","837","840","10.1107/S0108270197018015","","","0.71073","MoKα","","0.0775","0.0488","","0.0601","0.0562","","","","2.099","2.305","2.305","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007312","20.09","0.002","7.0879","0.0006","15.414","0.001","90","","124.513","0.004","90","","1808.6","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,5'-diacetyl-2,2',3,3'-tetramethoxy-1,1'-biphenyl","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","BS1044","Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.","Lignin Model Compounds: 4,4'-<i>O</i>-Dimethyldehydrodiacetovanillone and 4,4'-<i>O</i>-Diethyldehydrodiacetovanillone","Acta Crystallographica Section C","1998","54","6","837","840","10.1107/S0108270197018015","","","0.71073","MoKα","","0.0602","0.0602","","0.0886","0.0886","","","","1.8505","1.8505","1.8505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007313","9.256","0.004","11.917","0.004","23.489","0.008","90","","94.74","0.03","90","","2582.1","1.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","CF1215","Pajunen, Aarne; Pirkko Karhunen; Gösta Brunow","7-(4-Hydroxy-3-methoxyphenyl)-6-hydroxymethyl-4,10-dimethoxy-2,8-dipropyl-<i>cis</i>-6,7-dihydrodibenzo[<i>b</i>,<i>d</i>]oxepin-11-ol","Acta Crystallographica Section C","1998","54","6","885","887","10.1107/S0108270197019811","","","0.71073","MoKα","","0.082","0.064","","0.194","0.181","","","","0.927","0.985","0.985","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007314","8.7829","0.0007","9.622","0.002","9.8535","0.0011","90","","92.948","0.008","90","","831.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(tert-Butoxycarbonyl)-3-Amino-4-(Trimethylstannyl)pyridine","","- C13 H22 N2 O2 Sn -","- C13 H22 N2 O2 Sn -","- C26 H44 N4 O4 Sn2 -","2","1","CF1218","Crous, Renier; Holzapfel, Cedric W.; Kruger, Gert J.","[3-(<i>tert</i>-Butoxycarbonylamino)-4-pyridyl]trimethyltin(IV), a Tetraorganotin Compound Containing an Unexpected Intramolecular Sn···O Interaction","Acta Crystallographica Section C","1998","54","6","760","762","10.1107/S0108270197017459","","","0.7107","MoKα","","0.0278","0.0269","","","","0.0691","","","","","","1.114","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007315","8.825","0.002","16.518","0.002","7.368","0.002","90","","111.39","0.02","90","","1000.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene) dibenzaldehyde","","- C20 H20 Br2 N2 O4 -","- C20 H20 Br2 N2 O4 -","- C40 H40 Br4 N4 O8 -","2","0.5","CF1222","R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; K.Chinnakali; Suchada Chantrapromma; M.Marappan; M.Kandaswamy","5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene)dibenzaldehyde","Acta Crystallographica Section C","1998","54","6","780","781","10.1107/S0108270198000614","","","0.71073","MoKα","","0.0653","0.034","","0.098","0.0805","","","","0.935","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007316","7.102","0.0004","12.7094","0.0006","28.213","0.002","90","","92.076","0.001","90","","2544.9","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(8-methylaminoquinolinium) dimethyltetrachlorostannate(IV)","","- C22 H28 Cl4 N4 Sn -","- C22 H28 Cl4 N4 Sn -","- C88 H112 Cl16 N16 Sn4 -","4","1","CF1224","Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent","8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)","Acta Crystallographica Section C","1998","54","6","728","732","10.1107/S0108270198000626","","","0.71073","MoKα","","","0.034","","","0.048","","","","","1.324","1.324","","","","","has coordinates,has Fobs","190732","2020-10-21","18:00:00",""
"2007317","13.7689","0.0006","12.087","0.0005","18.7926","0.0008","90","","92.641","0.001","90","","3124.2","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(8-methylaminoquinolinium) diphenyltetrachlorostannate(IV)","","- C32 H32 Cl4 N4 Sn -","- C32 H32 Cl4 N4 Sn -","- C128 H128 Cl16 N16 Sn4 -","4","0.5","CF1224","Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent","8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)","Acta Crystallographica Section C","1998","54","6","728","732","10.1107/S0108270198000626","","","0.71073","MoKα","","","0.02","","","0.033","","","","","1.198","1.198","","","","","has coordinates,has Fobs","190732","2020-10-21","18:00:00",""
"2007318","7.753","0.002","11.126","0.002","18.281","0.003","90","","90","","90","","1576.9","0.6","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Cl N3 O -","- C18 H14 Cl N3 O -","- C72 H56 Cl4 N12 O4 -","4","1","CF1231","Malhotra, Sanjay; Vats, Archana; Parmar, Virinder S.; Errington, William","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1998","54","6","844","846","10.1107/S0108270198000717","","","0.71073","MoKα","","0.0407","0.032","","","","0.08","","","","","","1.037","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007319","26.3","0.006","15.596","0.002","16.936","0.004","90","","90","","90","","6947","2","295","1","295","1","","","","","","","","6","C 2 2 21","C 2c 2","","Compound Cubpsac","","","- C34 H28 Cu N6 O8 S2 -","- C34 H28 Cu N6 O8 S2 -","- C272 H224 Cu8 N48 O64 S16 -","8","1","CF1234","Grupče, Orhideja; Jovanovski, Gligor; Šoptrajanov, Bojan; Hergold-Brundić, Antonija","Structure of Bis(2,2'-bipyridyl)(saccharinato-<i>N</i>)copper(II) Saccharinate Dihydrate. Addendum","Acta Crystallographica Section C","1998","54","6","890","891","10.1107/S0108270198005897","","","1.54178","CuKα","","","0.063","","","0.083","","","","","0.704","0.704","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2007320","14.669","0.007","10.722","0.008","10.802","0.006","90","","99.55","0.08","90","","1675.4","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(N-Oxido-N'-hydroxydiazinyl)-3-methylbutyl)octanamide","","- C13 H27 N3 O3 -","- C13 H27 N3 O3 -","- C52 H108 N12 O12 -","4","1","DE1075","Chang, Rakwoo; Shin, Whanchul","<i>N</i>-[2-(<i>N</i>'-Hydroxy-<i>N</i>-oxidodiaziniumyl)-3-methylbutyl]octanamide","Acta Crystallographica Section C","1998","54","6","827","829","10.1107/S0108270198000729","","","1.5418","CuKα","","0.111","0.067","","0.198","0.159","","","","1.028","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007321","9.686","0.003","17.868","0.004","9.636","0.004","87.27","0.02","116.3","0.03","92.66","0.02","1492.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexa(p-Anisidinium) Cyclohexaphosphate Tétrahydrate","","- C42 H68 N6 O28 P6 -","- C41.98 H56 N6 O28 P6 -","- C41.98 H56 N6 O28 P6 -","1","0.5","DU1176","Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Hexakis(<i>p</i>-anisidinium) <i>cyclo</i>-Hexaphosphate Tétrahydrate","Acta Crystallographica Section C","1998","54","6","813","816","10.1107/S0108270197011888","","","1.54178","CuKα","","0.058","0.048","","0.141","0.132","","","","1.068","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007322","8.291","0.001","26.735","0.005","8.567","0.001","90","","114.49","0.02","90","","1728.1","0.5","293","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F16 -","- C18 H2 F16 -","- C72 H8 F64 -","4","1","FG1361","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene","Acta Crystallographica Section C","1998","54","6","846","849","10.1107/S0108270197019951","","","0.7107","MoKα","","0.08","0.044","","0.14","0.11","","","","1.1","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007323","8.268","0.001","8.469","0.002","8.274","0.002","126.06","0.02","110.62","0.02","90.19","0.02","421","0.2","291","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H2 F16 -","- C18 H2 F16 -","- C18 H2 F16 -","1","0.5","FG1361","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene","Acta Crystallographica Section C","1998","54","6","846","849","10.1107/S0108270197019951","","","0.7107","MoKα","","0.045","0.036","","0.117","0.104","","","","1.11","1.112","1.112","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007324","9.386","0.002","27.5","0.001","10.316","0.002","90","","115.51","0.02","90","","2403.1","0.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","α,α',α''-trimethyl-1,3,5-benzenetrimethanol","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","FG1397","Blackburn, Anthony C.; Gerkin, Roger E.","Hydrogen-Bonding Patterns in a Centrosymmetric Structure with <i>Z</i>' = 2: α,α',α''-Trimethyl-1,3,5-benzenetrimethanol","Acta Crystallographica Section C","1998","54","6","792","795","10.1107/S0108270197019975","","","0.71073","MoKα","","","0.071","","","","0.083","","","","","","2.11","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007325","10.8768","0.0015","11.238","0.002","11.6786","0.0008","97.929","0.008","110.895","0.007","109.635","0.009","1201","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C64 H44 N4 O4 -","2","1","FG1399","García-Martínez, Emilia; Vázquez-López, Ezequiel M.; Tuck, Dennis G.","Hydrogen Bonding in the 1:1 Adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol","Acta Crystallographica Section C","1998","54","6","840","842","10.1107/S0108270197019987","","","1.54184","CuKα","","0.1","0.042","","","","0.129","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007326","9.8504","0.0007","15.1177","0.001","11.9574","0.0008","90","","95.831","0.001","90","","1771.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(1,4,8,12- tetraazacyclopentadecane-N,N',N'',N''')zinc(II) Perchlorate","","- C11 H26 Cl2 N4 O4 Zn -","- C11 H26 Cl2 N4 O4 Zn -","- C44 H104 Cl8 N16 O16 Zn4 -","4","1","FG1404","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun","Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) Perchlorate","Acta Crystallographica Section C","1998","54","6","712","714","10.1107/S0108270197019999","","","0.71073","MoKα","","0.115","0.063","","0.131","0.112","","","","1.083","1.182","1.182","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007327","7.663","0.001","11.833","0.003","29.452","0.007","90","","90","","90","","2670.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","FG1407","Liu, Huiyou; Bélanger-Gariépy, Francine; Akram, Mehdi; Moskova, Mariana; Zhu, Xiao-Xia","Methyl 7α,12α-Dihydroxy-3α-methacryloyloxy-5β-cholan-24-oate","Acta Crystallographica Section C","1998","54","6","801","803","10.1107/S0108270197020003","","","1.54178","CuKα","","0.093","0.04","","0.081","","0.068","","","0.665","","","0.888","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007328","11.667","0.003","7.292","0.002","15.275","0.003","90","","97.02","0.02","90","","1289.8","0.5","200","1","200","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocyclic lactone","7-Oxa-spiro[5,9]pentadecane-1,8,13-trione","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","FG1408","Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.","7-Oxaspiro[5.9]pentadecane-1,8,13-trione","Acta Crystallographica Section C","1998","54","6","789","790","10.1107/S0108270197019847","","","0.71069","MoKα","","0.066","0.037","","0.139","0.107","","","","1.16","1.171","1.171","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007329","7.712","0.003","11.579","0.004","11.416","0.004","90","","106.11","0.03","90","","979.4","0.6","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Dicyanomethylene-5,6-dimethyl-3-cyano-1,2-dihydropyridine","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","FG1411","Elgemeie, Galal E. H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.","2-Dicyanomethylene-5,6-dimethyl-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","6","820","822","10.1107/S0108270197019835","","","0.71073","MoKα","","0.09","0.054","","0.143","0.123","","","","1.018","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007330","18.871","0.007","18.871","","16.249","0.011","90","","90","","90","","5787","4","210","2","210","2","","","","","","","","4","I -4","I -4","82","","","","- C29.25 H40.25 Br2 Cl0.75 -","- C29.25 H40.25 Br2 Cl0.75 -","- C234 H322 Br16 Cl6 -","8","1","FG1412","Mario Leclerc; Maxime Ranger; Francine Bélanger-Gariépy","2,7-Dibromo-9,9-dioctylfluorene‒Chloroform (1/0.25)","Acta Crystallographica Section C","1998","54","6","799","801","10.1107/S0108270197020015","","","1.54178","CuKα","","0.052","0.044","","0.113","","0.106","","","1.003","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007331","9.938","0.004","11.876","0.005","13.611","0.005","90","","91.96","0.01","90","","1605.5","1.1","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","14-O-Benzoyl-8-methoxy- and 14-O-Benzoyl-8-ethoxy- Bikhaconines","[1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-methoxy 14-benzoate and [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-ethoxy 14-benzoate.","","- C33.35 H47.7 N O8 -","- C33.35 H47.7 N O8 -","- C66.7 H95.4 N2 O16 -","2","1","FG1415","Parvez, Masood; Gul, Waseem; Anwar, Saeed","14-<i>O</i>-Benzoyl-8-ethoxybikhaconine and 14-<i>O</i>-Benzoyl-8-methoxybikhaconine","Acta Crystallographica Section C","1998","54","6","790","792","10.1107/S0108270198000171","","","1.54178","CuKα","","0.067","0.062","","0.171","0.161","","","","1.009","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007332","14.14","0.002","9.167","0.001","7.263","0.001","90","","90","","90","","941.4","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","(+\-)-3-indanone-1-acetic acid","(+\-)-2,3-dihydro-3-oxo-1H-indeneacetic Acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1417","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(±)-3-Indanone-1-acetic Acid: Heterochiral Catemeric Hydrogen Bonding in a δ-Keto Acid","Acta Crystallographica Section C","1998","54","6","829","831","10.1107/S0108270197019823","","","0.71073","MoKα","","0.07","0.05","","0.129","0.117","","","","1.05","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007333","12.698","0.003","5.6022","0.0011","21.041","0.004","90","","106.387","0.004","90","","1436","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-cyano-4'-(4R-5-epoxypentyloxy)biphenyl","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","2","FG1424","Clegg, William; Coles, Simon J.; Fallis, Ian A.; Griffiths, Paul M.; Teat, Simon J.","4-Cyano-4'-[(4<i>R</i>)-4,5-epoxypentyloxy]biphenyl: a Pseudosymmetry Problem Solved with Synchrotron Data","Acta Crystallographica Section C","1998","54","6","882","885","10.1107/S0108270197020027","","","0.6956","Synchrotron","","0.058","0.046","","","","0.133","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007334","10.95","0.0012","12.2333","0.0009","7.1453","0.0006","90.242","0.007","106.042","0.007","85.257","0.008","916.55","0.15","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","2,6,6-trimethyl-3-carbethoxy-4-(fluorophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline","","- C21 H24 F N O3 -","- C21 H24 F N O3 -","- C42 H48 F2 N2 O6 -","2","1","FG1427","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime","Racemic Ethyl 4-(2-Fluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","1998","54","6","879","882","10.1107/S0108270198000195","","","0.71069","MoKα","","0.067","0.052","","","","0.16","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007335","10.2","0.001","10.243","0.001","11.23","0.001","63.7","0.01","87.54","0.01","69.45","0.01","976","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tetrasodium triethylenetetraminehexaacetic acid dilead nitrate decahydrate","tetrasodium [μ~2~-[3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato-] ]-dilead dinitrate decahydrate","","- C18 H44 N6 Na4 O28 Pb2 -","- C18 H44 N6 Na4 O28 Pb2 -","- C18 H44 N6 Na4 O28 Pb2 -","1","0.5","FR1076","Thompson, Julia A.; Scott, Brian L.; Sauer, Nancy N.","Triethylenetetraminehexaacetic Acid Complex of Lead","Acta Crystallographica Section C","1998","54","6","734","736","10.1107/S0108270197018428","","","0.71073","MoKα","","0.0365","0.0308","","0.0786","0.0752","","","","1.079","1.081","1.081","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2007336","10.6443","0.0001","10.9621","0.0001","16.1129","0.0002","86.01","0.001","81.937","0.001","61.998","0.001","1643.59","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N4 O2 -","- C42 H30 N4 O2 -","- C84 H60 N8 O4 -","2","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0775","0.0465","","0.1294","0.1124","","","","1.032","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007337","9.2081","0.0001","10.962","0.0001","13.2238","0.0001","67.053","0.001","84.532","0.001","68.754","0.001","1143.98","0.02","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H23 N5 -","- C29 H23 N5 -","- C58 H46 N10 -","2","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0665","0.0452","","0.1301","0.1188","","","","1.015","1.141","1.141","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007338","11.1257","0.0001","15.4692","0.0002","18.7765","0.0001","90","","91.135","0.001","90","","3230.91","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 N4 O2 -","- C42 H32 N4 O2 -","- C168 H128 N16 O8 -","4","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0578","0.0429","","0.1062","0.0976","","","","1.019","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007339","9.8829","0.0001","12.3755","0.0001","12.0482","0.0001","90","","95.869","0.001","90","","1465.84","0.02","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Co3 N8 O8 -","- C20 H36 Co3 N8 O8 -","- C40 H72 Co6 N16 O16 -","2","0.5","FR1108","Mareque Rivas, Juan C.; Brammer, Lee","Bis[tris(2-aminoethyl)amine]cobalt(II) Bis[tetracarbonylcobaltate(1‒)]","Acta Crystallographica Section C","1998","54","6","757","760","10.1107/S0108270198000900","","","0.71073","MoKα","","0.04","0.029","","0.078","0.072","","","","1.019","1.05","1.05","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007340","7.393","0.002","13.069","0.004","17.855","0.005","90","","90","","90","","1725.1","0.9","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","FULGID-4","ethyl 3,3-dimethyl-2-(3-phenyl-1-indenone-2-yl)acrylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","HA1199","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","Ethyl 3,3-Dimethyl-2-(1-oxo-3-phenylinden-2-yl)acrylate","Acta Crystallographica Section C","1998","54","6","849","851","10.1107/S010827019701843X","","","0.71073","MoKα","","0.082","0.063","","0.171","0.149","","","","1.069","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007341","10.456","0.002","11.277","0.002","12.676","0.003","90","","112.4","0.03","90","","1381.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-thienyl)-3-(5-phenyl-2-furyl)propenenitrile","","- C17 H11 N O S -","- C17 H11 N O S -","- C68 H44 N4 O4 S4 -","4","1","JZ1199","Lokaj, Ján; Štetinová, Jarmila; Kada, Rudolf; Kettmann, Viktor; Warda, Salam A.","<i>trans</i>-2-(2-Thienyl)-3-(5-phenyl-2-furyl)propenenitrile","Acta Crystallographica Section C","1998","54","6","787","788","10.1107/S0108270197010585","","","1.54178","CuKα","","0.0681","0.061","","0.1461","0.1415","","","","1.073","1.095","1.095","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007342","13.4806","0.0013","7.6909","0.0006","18.1758","0.0015","90","","90","","90","","1884.4","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Rubidium-Di-Tantalum-Undeca-Sulfide","","","- Rb4 S11 Ta2 -","- Rb4 S11 Ta2 -","- Rb16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.057","0.035","","0.092","0.085","","","","1.027","1.064","1.064","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007343","13.913","0.004","7.989","0.002","18.327","0.005","90","","90","","90","","2037.1","1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Caesium-Di-Tantalum-Undeca-Sulfide","","","- Cs4 S11 Ta2 -","- Cs4 S11 Ta2 -","- Cs16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.043","0.038","","0.104","0.101","","","","1.07","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007344","7.171","0.001","7.171","0.001","5.944","0.003","90","","90","","120","","264.71","0.14","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Caesium nickel chloride","Caesium nickel(II) chloride'","","- Cl3 Cs Ni -","- Cl3 Cs Ni -","- Cl6 Cs2 Ni2 -","2","0.0833333","JZ1253","Sassmannshausen, Markus; Lutz, Heinz Dieter","Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~","Acta Crystallographica Section C","1998","54","6","704","706","10.1107/S0108270197019598","","","0.71069","MoKα","","0.0164","0.0144","","0.0312","0.0304","","","","1.437","1.465","1.465","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007345","9.224","0.002","9.224","0.002","14.551","0.008","90","","90","","90","","1238","0.8","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","Caesium nickel chloride","Tricaesium nickel(II) chloride","","- Cl5 Cs3 Ni -","- Cl5 Cs3 Ni -","- Cl20 Cs12 Ni4 -","4","0.125","JZ1253","Sassmannshausen, Markus; Lutz, Heinz Dieter","Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~","Acta Crystallographica Section C","1998","54","6","704","706","10.1107/S0108270197019598","","","0.71069","MoKα","","0.0874","0.0488","","0.1319","0.1115","","","","1.07","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007346","9.172","0.0002","12.2492","0.0003","12.94","0.0003","90.7376","0.0005","104.776","0.0004","101.34","0.0006","1375.24","0.06","293","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 N3 Ni O2 P S -","- C30 H28 N3 Ni O2 P S -","- C60 H56 N6 Ni2 O4 P2 S2 -","2","1","KA1226","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Prelesnik, Bogdan V.; Leovac, Vukadin M.","Transition Metal Complexes with Thiosemicarbazide-Based Ligands. 33. [4-(2-Diphenylphosphino-α-ethoxybenzyl-<i>P</i>)-3-methyl-1-salicylideneisothiosemicarbazido-<i>N</i>^1^,<i>N</i>^4^,<i>O</i>]nickel(II)","Acta Crystallographica Section C","1998","54","6","766","768","10.1107/S0108270197019677","","","0.71073","MoKα","","","0.049","","","0.0986","","","","","1.244","1.244","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007347","7.711","0.002","7.711","0.002","17.076","0.002","90","","90","","90","","1015.3","0.4","293","2","293","2","","","","","","","","6","P 42/m","-P 4c","84","","Trans-dichloro-[(1RS,4RS,5SR,7RS,8SR,11SR,12RS,14SR)-5,7,12,14- tetramethyl-1,4,8,11-tetraazacyclotetradecane]cobalt(III) perchlorate","","- C14 H32 Cl3 Co N4 O4 -","- C14 H32 Cl3 Co N4 O4 -","- C28 H64 Cl6 Co2 N8 O8 -","2","0.25","KA1261","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Liu, Guey-Sung; Chi, Ta-Yung; Chung, Chung-Sun","<i>trans</i>-Dichloro[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]cobalt(III) Perchlorate","Acta Crystallographica Section C","1998","54","6","714","716","10.1107/S0108270197019690","","","0.71073","MoKα","","0.06","0.039","","0.133","0.116","","","","1.318","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007348","24.58","0.002","24.58","0.002","21.5609","0.0011","90","","90","","120","","11281.4","1.4","210","3","210","3","","","","","","","","6","R -3 :H","-R 3","148","","Dodekakis{tris(2-aminoethyl)amin}heptacadmium(II)-perchlorate","","- C72 H216 Cd7 Cl14 N48 O56 -","- C72 H216 Cd7 Cl14 N48 O56.06 -","- C216 H648 Cd21 Cl42 N144 O168.18 -","3","0.166667","LN1016","Klüfers, Peter; Mayer, Peter","A Star-Shaped Heptanuclear Tetramine Cadmium(II) Complex","Acta Crystallographica Section C","1998","54","6","722","725","10.1107/S0108270197019355","","","0.71069","MoKα","","0.045","0.037","","0.098","0.095","","","","1.049","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007349","10.181","0.005","13.047","0.007","14.751","0.007","101.6","0.03","101.9","0.04","99.86","0.05","1831.3","1.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N4 O5 Zn -","- C36 H48 N4 O5 Zn -","- C72 H96 N8 O10 Zn2 -","2","1","LN1020","Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard","Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)","Acta Crystallographica Section C","1998","54","6","776","779","10.1107/S0108270197019215","","","0.71073","MoKα","","0.0965","0.0505","","0.1381","0.1166","","","","0.968","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007350","8.817","0.006","9.361","0.007","19.06","0.02","101.48","0.07","99.58","0.09","99.1","0.09","1490","2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H98 Cd N4 O6 -","- C60 H98 Cd N4 O6 -","- C60 H98 Cd N4 O6 -","1","0.5","LN1020","Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard","Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)","Acta Crystallographica Section C","1998","54","6","776","779","10.1107/S0108270197019215","","","0.71073","MoKα","","0.0484","0.042","","0.102","0.0961","","","","0.973","0.983","0.983","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007351","8.514","0.006","19.39","0.012","21.94","0.012","90","","90","","90","","3622","4","301","2","301","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-methyl-r-2,c-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.1405","0.0458","","0.1325","0.1061","","","","1.026","1.301","1.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007352","24.52","0.02","6.369","0.006","22.4","0.02","90","","90","","90","","3498","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3-methyl-r-2,t-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","2","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.108","0.058","","0.154","0.1355","","","","1.012","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007353","11.739","0.002","10.092","0.002","20.652","0.004","90","","99.53","0.03","90","","2412.9","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-azathioprine-N3,N9)tetrachlorocopper(II) dimethylformamide solvate","","- C15 H21 Cl2 Cu N9 O4 S -","- C30 H42 Cl4 Cu2 N18 O8 S2 -","- C60 H84 Cl8 Cu4 N36 O16 S4 -","2","0.5","LN1050","Zhu, Fu-Chun; Schmalle, Helmut W.; Dubler, Erich","A Dinuclear Complex of the Thiopurine Drug Azathioprine: [Cu~2~Cl~4~(μ-azathioprine)~2~].4DMF","Acta Crystallographica Section C","1998","54","6","773","776","10.1107/S0108270197019203","","","0.71073","MoKα","","0.2391","0.0769","","0.1694","0.1235","","","","1.045","1.223","1.223","","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007354","7.7418","0.0006","20.242","0.003","9.4443","0.0007","90","","109.561","0.006","90","","1394.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Co N4 O6 -","- C24 H32 Cl2 Co N4 O6 -","- C48 H64 Cl4 Co2 N8 O12 -","2","0.5","MU1364","Buchanan, Colin; Parsons, Simon; Winpenny, Richard E.P.","<i>trans</i>-Diaquadichlorobis(6-methyl-2-pyridone-<i>O</i>)cobalt(II) Bis(6-methyl-2-pyridone) Solvate","Acta Crystallographica Section C","1998","54","6","762","764","10.1107/S0108270198000523","","","0.71073","MoKα","","0.0835","0.042","","0.079","0.0684","","","","1.026","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007355","9.109","0.001","10.74","0.002","16.04","0.001","90","","99","0.1","90","","1549.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4-Dimethyl-2-[(Z)-(2-N-p-anisyl-3,3,3-trifluoro)propenyl]-2-oxazoline.","","- C15 H17 F3 N2 O2 -","- C15 H17 F3 N2 O2 -","- C60 H68 F12 N8 O8 -","4","1","NA1290","Liu-Gonzalez, Malva; Sanz-Ruíz, Francisco; Navarro-Martinez, Antonio; García de la Torre, Marta; Fustero-Lardies, Santos","2-[(<i>Z</i>)-2-(<i>p</i>-Anisidino)-3,3,3-trifluoropropenyl]-4,4-dimethyl-2-oxazoline","Acta Crystallographica Section C","1998","54","6","875","877","10.1107/S0108270197017228","","","0.71073","MoKα","","0.1614","0.0409","","","","0.1295","","","","","","0.878","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007356","11.905","0.004","12.337","0.003","14.218","0.004","88.17","0.02","80.5","0.03","84.52","0.02","2049.9","1","293","2","293","","","","","","","","","6","P -1","-P 1","2","","tris(tert-butylcyclopentadienyl) praseodymium-μ-bromo-tris(tetrahydrofuran) lithium","","- C39 H63 Br Li O3 Pr -","- C39 H63 Br Li O3 Pr -","- C78 H126 Br2 Li2 O6 Pr2 -","2","1","NA1291","Luo, Yunjie; Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng","Tris(<i>tert</i>-butylcyclopentadienyl)praseodymium-μ-bromo-tris(tetrahydrofuran)lithium","Acta Crystallographica Section C","1998","54","6","711","712","10.1107/S0108270197015199","","","0.71069","MoKα","","0.095","0.0388","","0.1108","0.0861","","","","1.099","1.067","1.067","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007357","10.404","0.002","9.743","0.002","19.096","0.003","90","","95.7","0.02","90","","1926.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-ethoxycarbonyl-3,5-dimethyl-cis-2,6-diphenyl piperidin-4-one","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","NA1307","Suresh Kumar, M.; Ponnuswamy, M. N.; Ponnuswamy, S.; Jeyaraman, R.; Paneerselvam, K.; Soriano-Garcia, Manuel","Ethyl 3,5-Dimethyl-4-oxo-<i>cis</i>-2,6-diphenylpiperidine-1-carboxylate","Acta Crystallographica Section C","1998","54","6","870","872","10.1107/S0108270198000201","","","1.54178","CuKα","","0.063","0.05","","0.157","0.138","","","","1.03","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007358","8.5287","0.0001","9.8554","0.0001","18.6719","0.0001","104.195","0.001","95.384","0.001","91.638","0.001","1512.64","0.03","143","","143","2","","","","","","","","4","P -1","-P 1","2","","4-Benzoyl-4-(2-cyano-ethyl)-heptanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","NA1313","Bolte, Michael; Scholtyssik, Maria","4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile at 143K","Acta Crystallographica Section C","1998","54","6","852","854","10.1107/S010827019701723X","","","0.71073","MoKα","","0.1355","0.0584","","","","0.1487","","","","","","0.919","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007359","11.218","0.002","7.991","0.002","15.202","0.002","90","","94.95","0.01","90","","1357.7","0.5","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(dimethylglyoximato)[(R)-1-methoxycarbonylethyl] (tricyanoethylphosphine)cobalt(III)","","- C21 H33 Co N7 O6 P -","- C21 H33 Co N7 O6 P -","- C42 H66 Co2 N14 O12 P2 -","2","1","NA1314","Arai, Yoshifusa; Hashizume, Daisuke; Kogo, Hidenori; Ohashi, Yuji; Ohgo, Yoshiaki","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[methyl (<i>R</i>)-ethanoato-<i>C</i>^2^][tris(2-cyanoethyl)phosphine-<i>P</i>]cobalt(III)","Acta Crystallographica Section C","1998","54","6","739","741","10.1107/S0108270197020192","","","0.71069","MoKα","","0.043","0.035","","0.095","0.09","","","","1.05","1.07","1.07","","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007360","9.384","0.002","17.237","0.003","11.307","0.002","90","","94.5","0.03","90","","1823.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyanogold-phosphine","Cyanodi(phenyl)cyclohexylphosphinegold(I)","","- C19 H21 Au N P -","- C19 H21 Au N P -","- C76 H84 Au4 N4 P4 -","4","1","NA1329","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Isab, A.A.","<i>R</i>~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)~3~P}AuCN]","Acta Crystallographica Section C","1998","54","6","716","719","10.1107/S0108270197017198","","","0.71073","MoKα","","0.0789","0.0466","","0.1315","0.1121","","","","1.042","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007361","11.312","0.002","12.996","0.003","13.308","0.003","90","","90","","90","","1956.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyanogold-phosphine","Cyano-tri-(m-tolyl)phosphinegold(I)","","- C22 H21 Au N P -","- C22 H21 Au N P -","- C88 H84 Au4 N4 P4 -","4","1","NA1329","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Isab, A.A.","<i>R</i>~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)~3~P}AuCN]","Acta Crystallographica Section C","1998","54","6","716","719","10.1107/S0108270197017198","","","0.71073","MoKa","","0.0398","0.0325","","0.0905","0.078","","","","1.06","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007362","7.7869","0.0012","9.6947","0.0013","9.849","0.002","93.036","0.014","102.402","0.015","98.478","0.013","715.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(2'-methoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrole-6a(6H)-carboxylate","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C30 H38 N2 O6 S2 -","2","1","NA1332","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pinho e Melo, T. M. V. D.; Cabral, A. M. T. D. P. V.","Methyl 2-(2-Methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1<i>H</i>-thieno[3,4-<i>b</i>]pyrrole-6a-carboxylate","Acta Crystallographica Section C","1998","54","6","803","805","10.1107/S0108270198000213","","","0.71069","MoKα","","0.046","0.033","","","","0.09","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007363","7.8466","0.0003","13.6602","0.0004","12.2522","0.0005","90","","100.83","0.004","90","","1289.88","0.08","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylmethandiol)copper(II) diperchlorate","","- C22 H20 Cl2 Cu N4 O12 -","- C22 H20 Cl2 Cu N4 O12 -","- C44 H40 Cl4 Cu2 N8 O24 -","2","0.5","NA1335","Yang, Guang; Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>O</i>,<i>N</i>')copper(II) Diperchlorate","Acta Crystallographica Section C","1998","54","6","732","734","10.1107/S0108270198000225","","","0.71073","MoKα","","0.057","0.044","","0.131","0.12","","","","1.026","1.057","1.057","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007364","18.317","0.013","14.59","0.007","7.431","0.003","90","","90","","90","","1985.9","1.9","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pyridinium pentachloropyridinemolybdate(III)","","- C15 H17 Cl5 Mo N3 -","- C15 H17 Cl5 Mo N3 -","- C60 H68 Cl20 Mo4 N12 -","4","0.5","NA1339","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-<i>N</i>)molybdate(III)","Acta Crystallographica Section C","1998","54","6","736","738","10.1107/S0108270198000237","","","0.71073","MoKα","","0.095","0.039","","0.042","0.033","","","","1.274","1.459","1.459","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007365","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-N)molybdate(III)","Acta Crystallographica Section C","1998","54","","736","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007366","7.791","0.001","9.197","0.001","7.688","0.001","95.31","0.01","107.04","0.01","66.98","0.01","484.6","0.11","300","","","","","","","","","","","4","P -1","-P 1","2","","Magnesium bis (dihydrogenorthophosphate) tetrahydrate","","- H12 Mg O12 P2 -","- H12 Mg O12 P2 -","- H24 Mg2 O24 P4 -","2","1","OH1110","Miyake, Michihiro; Matsuda, Nobuyuki; Sato, Shoichi; Matsuda, Motohide; Nakagawa, Souhei; Ochiai, Junko","Mg(H~2~PO~4~)~2~.4H~2~O","Acta Crystallographica Section C","1998","54","6","702","703","10.1107/S0108270198000262","","","0.71069","MoKα","","","0.022","","","","0.033","","","","","","1.88","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007367","11.686","0.008","3.956","0.002","20.404","0.013","90","","106.06","0.07","90","","906.5","1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(1-Methyl-1,2-dihydropyridine-2-iminomethylene)propanedinitrile","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","OS1002","Ján Lokaj; Viktor Kettmann; Viktor Milata; Rudolf Kada; Jordis Ulrich","2-(1-Methyl-1,2-dihydro-2-pyridylideneaminomethylene)propanedinitrile","Acta Crystallographica Section C","1998","54","6","785","787","10.1107/S0108270197017472","","","0.7107","MoKα","","0.1101","0.0502","","0.1303","0.0975","","","","1.004","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007368","10.098","0.002","18.902","0.004","16.71","0.003","90","","90","","90","","3189.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,5-diméthylpyrrolidin-2-yl] phosphonate de diisopropyle","","- C12 H26 N O3 P -","- C12 H26 N O3 P -","- C96 H208 N8 O24 P8 -","8","1","PA1253","Roubaud, Valerie; Siri, Didier; Tordo, Paul; Hdii, Fathia; Reboul, Jean-Pierre","(2,5-Diméthylpyrrolidin-2-yl)phosphonate de Diisopropyle","Acta Crystallographica Section C","1998","54","6","825","827","10.1107/S0108270197008408","","","0.7107","MoKα","","0.05","0.045","","0.09","0.089","","","","1.082","1.426","1.426","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007369","10.904","0.006","13.404","0.006","13.683","0.006","88.97","0.04","69.05","0.04","77.88","0.04","1822.5","1.6","126","2","126","2","","","","","","","","5","P -1","-P 1","2","","7-Nitro-5,10,15,20-tetraphenylporphyrin","","- C45 H31 Cl2 N5 O2 -","- C45 H31 Cl2 N5 O2 -","- C90 H62 Cl4 N10 O4 -","2","1","QA0038","Senge, Mathias O.","7-Nitro-5,10,15,20-tetraphenylporphyrin Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","6","IUC9800022","","10.1107/S0108270198099648","","","0.71073","MoKα","","","0.0597","","","","0.1532","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007370","9.9862","0.0005","12.3722","0.0005","16.0829","0.0007","90","","92.777","0.002","90","","1984.73","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-naphthylamino-2-benzoyl-3-phenyl-3-hydroxy-2-propene-1-one","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","QA0039","Sema Öztürk; Hoong-Kun Fun; Mehmet Akkurt; Mehmet Sönmez; Kandasamy Chinnakali","2-Benzoyl-3-hydroxy-1-naphthylamino-3-phenyl-2-propen-1-one","Acta Crystallographica Section C","1998","54","6","IUC9800023","","10.1107/S0108270198099636","","","0.71073","MoKα","","0.1538","0.0667","","0.1555","0.1192","","","","1.033","1.143","1.143","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007371","5.013","0.003","6.915","0.003","9.271","0.004","90","","90","","90","","321.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ethane-1,2-diol","Ethane-1,2-diol","","- C2 H6 O2 -","- C2 H6 O2 -","- C8 H24 O8 -","4","1","QA0040","Boese, Roland; Weiss, Hans-Christoph","1,2-Ethanediol (Ethylene Glycol) at 130K","Acta Crystallographica Section C","1998","54","6","IUC9800024","","10.1107/S0108270198099624","","","0.71073","MoKα","","0.0544","0.0527","","0.1284","0.1254","","","","1.121","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007372","8.5553","0.0011","9.2494","0.0011","9.3431","0.0008","66.011","0.009","72.016","0.009","86.618","0.01","640.58","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethylenetriammonium oxalate hydrate (2:3:4)","","- C14 H40 N6 O16 -","- C14 H40 N6 O16 -","- C14 H40 N6 O16 -","1","0.5","QB0014","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bonding in Two Forms of Bis(diethylenetriammonium) Trioxalate Tetrahydrate","Acta Crystallographica Section C","1998","54","6","IUC9800025","","10.1107/S0108270198099612","","","0.71069","MoKα","","0.0547","0.0341","","","","0.103","","","","","","0.912","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007373","19.3069","0.0016","6.6698","0.0009","12.0449","0.0009","90","","120.166","0.007","90","","1341","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethylenetriammonium oxalate hydrate (2:3:4)","","- C14 H40 N6 O16 -","- C14 H36 N6 O16 -","- C28 H72 N12 O32 -","2","0.5","QB0014","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bonding in Two Forms of Bis(diethylenetriammonium) Trioxalate Tetrahydrate","Acta Crystallographica Section C","1998","54","6","IUC9800025","","10.1107/S0108270198099612","","","0.71073","MoKα","","0.1548","0.0627","","","","0.2179","","","","","","0.967","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2007374","10.235","0.004","8.6448","0.0012","10.495","0.002","90","","118.586","0.015","90","","815.4","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce H2 O9 Rb S2 -","- Ce H2 O9 Rb S2 -","- Ce4 H8 O36 Rb4 S8 -","4","1","QB0042","Robinson, Paul D.; Jasty, Shashi","Rubidium Cerium Sulfate Monohydrate, RbCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1998","54","6","IUC9800021","","10.1107/S010827019809965X","","","0.71069","MoKα","","0.023","0.0191","","","","0.0507","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007375","12.984","0.002","6.893","0.001","17.224","0.002","90","","90","","90","","1541.5","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","0.5","SK1089","Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz; Büyükgüngör, Orhan; Erdönmez, Ahmet","3-<i>tert</i>-Butyl-2hydroxy-5-methoxyazobenzene","Acta Crystallographica Section C","1998","54","6","859","860","10.1107/S0108270198000286","","","0.71069","MoKα","","0.0792","0.044","","0.113","0.1032","","","","1.055","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007376","13.0786","0.0008","12.174","0.0007","9.9027","0.0009","90","","94.354","0.008","90","","1572.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,4-dimethylpyridine((N-salicylideneglycinato)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C64 H72 Cu4 N8 O16 -","4","1","SK1096","Warda, Salam A.","Aqua(2,4-dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","6","768","770","10.1107/S0108270197019367","","","0.71073","MoKα","","0.0507","0.0373","","0.101","","","","","1.075","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007377","10.9539","0.0012","8.1317","0.0011","17.9391","0.0014","90","","105.566","0.004","90","","1539.3","0.3","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 Ni O2 -","- C19 H13 N3 Ni O2 -","- C76 H52 N12 Ni4 O8 -","4","1","SK1106","Ülkü, Dinçer; Tahir, M. Nawaz; Nazır, Hasan; Yilmaz, Hamza","[2,3-Bis(salicylideneamino-<i>O</i>,<i>N</i>)pyridinato]nickel(II)","Acta Crystallographica Section C","1998","54","6","725","726","10.1107/S0108270197019379","","","0.71073","MoKα","","","0.052","","","0.056","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007378","10.817","0.002","12.908","0.003","14.08","0.003","105.13","0.03","105.77","0.04","103.46","0.04","1726","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","(Nitrito-O,O')bis(triphenylphosphine)silver(I)‒dichloromethane","","- C37 H32 Ag Cl2 N O2 P2 -","- C37 H32 Ag Cl2 N O2 P2 -","- C74 H64 Ag2 Cl4 N2 O4 P4 -","2","1","SK1123","Belaj, Ferdinand; Trnoska, Andreas; Nachbaur, Edgar","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I) Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","6","727","728","10.1107/S0108270197020039","","","0.71069","MoKα","","0.06","0.047","","0.134","0.122","","","","1.044","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007379","9.168","0.001","9.313","0.003","16.59","0.009","90","","105.88","0.02","90","","1362.4","0.9","295","1","295","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenz[c,e]azepine","±-6,7-Dihydro-1,6,11-trimethyl-5H-dibenz[c,e]azepine","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","SK1156","Mrvoš-Sermek, Draginja; Lončar-Tomašković, Linda; Hergold-Brundić, Antonija; Mintas, Mladen; Nagl, Ante","(±)-6,7-Dihydro-1,6,11-trimethyl-5<i>H</i>-dibenz[<i>c</i>,<i>e</i>]azepine","Acta Crystallographica Section C","1998","54","6","877","879","10.1107/S0108270198000936","","","0.71073","MoKα","","0.0814","0.046","","0.146","0.1232","","","","1.028","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007380","8.003","0.005","11.253","0.005","18.461","0.005","90","0.005","90","0.005","90","0.005","1662.6","1.4","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((1S)-1-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-2- nitropropyl) malonate","","- C14 H23 N O8 -","- C14 H23 N O8 -","- C56 H92 N4 O32 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.052","0.052","","","","0.124","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007381","10.693","0.001","8.446","0.001","11.992","0.001","90","","101.268","0.005","90","","1062.16","0.18","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (3S)-2-acetyl-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl- (phenylsulfonyl) pentanoate","","- C20 H28 O8 S -","- C20 H28 O8 S -","- C40 H56 O16 S2 -","2","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.032","0.03","","","","0.077","","","","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007382","7.3201","0.0001","10.719","0.001","19.39","0.001","90","0.006","90","0.004","90","0.005","1521.42","0.16","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl (3S)-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethylcyclopropane-1,1-dicarboxylate","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.054","0.049","","","","0.142","","","","","","1.082","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007383","11.17","0.005","12.181","0.004","9.366","0.004","90.75","0.04","105.24","0.04","112.92","0.03","1122.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Irbesartan","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C50 H56 N12 O2 -","2","1","SX1039","Böcskei, Zsolt; Simon, Kálmán; Rao, Renée; Caron, Antoine; Rodger, Charles A.; Bauer, Michel","Irbesartan Crystal Form B","Acta Crystallographica Section C","1998","54","6","808","810","10.1107/S0108270197019884","","","1.5418","CuKα","","0.077","0.062","","0.204","0.17","","","","1.029","1.06","1.06","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007384","7.554","0.0008","7.3473","0.0006","11.8146","0.0011","90","","107.148","0.008","90","","626.58","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","desmethyl selegiline","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C24 H32 Cl2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.095","0.077","","0.256","0.218","","","","1.156","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007385","7.481","0.002","7.447","0.002","11.8743","0.0009","90","","107.48","0.009","90","","631","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-fluoro-dezmethyl-selegiline","","","- C12 H15 Cl F N -","- C12 H15 Cl F N -","- C24 H30 Cl2 F2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.078","0.06","","0.184","0.166","","","","1.108","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007386","11.922","0.001","18.963","0.002","12.826","0.001","90","","90.83","0.01","90","","2899.4","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","8-Chloro-5-(4-chlorophenyl)-5H-indeno[1,2d]pyrimidine","","- C17 H10 Cl2 N2 -","- C17 H10 Cl2 N2 -","- C136 H80 Cl16 N16 -","8","2","SX1053","Caruso, Francesco; Rossi, Miriam","8-Chloro-5-(4-chlorophenyl)-5<i>H</i>-indeno-[1,2-<i>d</i>]pyrimidine","Acta Crystallographica Section C","1998","54","6","842","844","10.1107/S0108270198000572","","","1.54178","CuKα","","0.044","0.044","","0.056","0.056","","","","0.986","0.986","0.986","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007387","13.068","0.003","13.715","0.003","14.312","0.003","84.48","0.02","65.25","0.02","86.76","0.02","2318.3","1","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","(Dicyclohexylammonium succinatotributylstannate)^.^1/2(dicyclohexylammonium succinate) hydrate","","- C84 H166 N4 O14 Sn2 -","- C84 H166 N4 O14 Sn2 -","- C84 H166 N4 O14 Sn2 -","1","0.5","SX1058","Ng, Seik Weng; Holeček, Jaroslav","2[(C~6~H~11~)~2~NH~2~]^+^.[Sn(O~2~CCH~2~CH~2~CO~2~)(C~4~H~9~)~3~]^{-^}.1/2(O~2~CCH~2~CH~2~CO~2~)^2{-^}.H~2~O, an Organostannate Consisting of Linear Polyanionic Tributyl(succinato)stannate Chains Hydrogen Bonded into Layers by a [Tetrakis(dicyclohexylammonium) Succinate Dihydrate] Dicationic Network","Acta Crystallographica Section C","1998","54","6","750","752","10.1107/S010827019701888X","","","0.71073","MoKα","","0.1292","0.069","","0.1602","0.1255","","","","1.032","1.079","1.079","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007388","9.535","0.002","19.225","0.002","9.76","0.002","90","","102.98","0.01","90","","1743.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(triphenyltin) succinate","μ-Succinatobis(triphenyltin)","","- C40 H34 O4 Sn2 -","- C40 H34 O4 Sn2 -","- C80 H68 O8 Sn4 -","2","0.5","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0504","0.0366","","0.0941","0.0869","","","","1.127","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007389","14.206","0.002","15.777","0.001","20.198","0.002","67.565","0.006","74.546","0.008","70.904","0.008","3901.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[Bis(triphenyltin) succinate]^.^[bis(triphenyltin) succinate^.^sesqui(dimethylsulfoxide)^.^hemiethanol]","","- C84 H80 O10 S1.5 Sn4 -","- C84 H80 O10 S1.5 Sn4 -","- C168 H160 O20 S3 Sn8 -","2","1","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0549","0.0373","","0.101","0.09","","","","1.041","1.053","1.053","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007390","12.488","0.001","14.068","0.002","14.182","0.004","72.11","0.02","81.76","0.02","78.55","0.01","2314.8","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[bis(triphenyltin) succinate][bis(triphenyltin) succinate^.^2HMPA]","[μ-succinatobis(triphenyltin)]^.^[μ- succinatobis(triphenyltin)^.^bis(hexamethylphosphoramide)]","","- C92 H104 N6 O10 P2 Sn4 -","- C92 H104 N6 O10 P2 Sn4 -","- C92 H104 N6 O10 P2 Sn4 -","1","0.5","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0509","0.0417","","0.1167","0.1092","","","","1.06","1.085","1.085","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007391","12.442","0.002","12.516","0.003","22.163","0.005","88.01","0.06","78.48","0.03","77.88","0.01","3306.3","1.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","Bis[1,1,3,3-tetrabutyl-1,3-bis(picolinato-N-oxide)distannoxane] hydrate","","","- C56 H90 N4 O15 Sn4 -","- C56 H90 N4 O15 Sn4 -","- C112 H180 N8 O30 Sn8 -","2","1","SX1060","Ng, Seik Weng","Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-bis-μ~3~-oxo-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-tetrakis[μ-(2-pyridinecarboxylato <i>N</i>-oxide)]-1κ^2^<i>O</i>,<i>O</i>':2κ<i>O</i>;2κ<i>O</i>:3κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>':4κ<i>O</i>;1κ^2^<i>O</i>,<i>O</i>':4κ<i>O</i>-tetratin Hydrate","Acta Crystallographica Section C","1998","54","6","752","755","10.1107/S010827019701891X","","","0.71073","MoKα","","0.0786","0.0486","","0.1331","0.1216","","","","0.9","1.035","1.035","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007392","5.7473","0.0003","7.6109","0.0007","9.0705","0.0009","70.19","0.008","85.259","0.006","78.188","0.006","365.34","0.06","296","","","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H21.92 O5 -","- C15 H21.92 O5 -","1","1","SX1065","Thalji, Reema K.; Pentes, Howard G.; Fischer, Nikolaus H.; Fronczek, Frank R.","8-Desacetoxy-11β<i>H</i>,13-dihydroperoxyferolide, a Sesquiterpene Lactone Hydroperoxide","Acta Crystallographica Section C","1998","54","6","861","863","10.1107/S0108270197020088","","","1.54184","CuKα","","","0.04","","","0.054","","","","","1.94","1.94","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2007393","17.789","0.004","16.927","0.005","11.751","0.002","90","","101.18","0.02","90","","3471.2","1.4","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","racemic-1,1,6,6-tetramethyl-1,6-distannatetranaphtho [2,1-b;1',2'-d;2"",1""-g;1""',2""'-i]cyclodeca-2,4,7,9-tetraene","","- C44 H36 Sn2 -","- C44 H36 Sn2 -","- C176 H144 Sn8 -","4","1","TA1135","Tani, Kazuhide; Yamagata, Tsuneaki; Hironori Tashiro","Racemic 1,1,6,6-Tetramethyl-1,6-distannatetranaphtho[2,1-<i>b</i>;1',2'-<i>d</i>;2'',1''-<i>g</i>;1''',2'''-<i>i</i>]cyclodeca-2,4,7,9-tetraene","Acta Crystallographica Section C","1998","54","6","755","757","10.1107/S0108270197007750","","","0.71069","MoKα","","0.126","0.057","","0.086","0.071","","","","0.842","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007394","17.492","0.004","10.839","0.002","5.753","0.001","90","","90","","90","","1090.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","TA1189","Dunne, Simon, J.; von Nagy-Felsobuki, Ellak, I.; Mackay, Maureen, F.","An Orthorhombic Polymorph of 2,2'-Dipyridyl Diselenide","Acta Crystallographica Section C","1998","54","6","887","889","10.1107/S0108270197018118","","","1.5418","CuKα","","0.0331","0.0321","","0.0878","0.0867","","","","1.108","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007395","16.964","0.003","18.972","0.004","21.063","0.003","90","","90","","90","","6779","2","298","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","O,O'-trifluoroacetatobis(triphenylphosphine)silver(I)","","- C38 H30 Ag F3 O2 P2 -","- C38 H30 Ag F3 O2 P2 -","- C304 H240 Ag8 F24 O16 P16 -","8","1","TA1203","Ng, Seik Weng","(Trifluoroacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1998","54","6","743","744","10.1107/S0108270198000304","","","0.71073","MoKα","","0.0796","0.066","","0.133","0.1275","","","","1.334","1.38","1.38","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007396","18.4645","0.0009","8.0647","0.0006","21.9392","0.0009","90","","90","","90","","3267","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(2-pyridyl)-4-p-bromophenyl-1,2,4-triazole","","- C18 H12 Br N5 -","- C18 H12 Br N5 -","- C144 H96 Br8 N40 -","8","1","TA1205","Chen, Wei; Wang, Z. X.; Jian, F. F.; Bai, Z. P.; You, X. Z.","4-(<i>p</i>-Bromophenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","6","851","852","10.1107/S0108270198000316","","","0.71073","MoKα","","0.127","0.059","","0.121","0.103","","","","0.925","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007397","15.575","0.005","8.455","0.005","22.745","0.005","90","","90","","90","","2995","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Bis(pyridine-2-ylmethyl)amine)iron(III)chloride","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","VJ1072","K. R. Justin Thomas; Marappan Velusamy; Mallayan Palaniandavar","A Polymorph of Bis(2-pyridylmethyl)amine Iron(III) Chloride","Acta Crystallographica Section C","1998","54","6","741","743","10.1107/S0108270197016624","","","0.71073","MoKα","","0.0525","0.0332","","0.1475","0.0863","","","","1.109","0.986","0.986","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007398","8.42","0.0007","12.908","0.002","7.9874","0.0009","94.902","0.011","93.311","0.008","104.834","0.008","833.25","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Chloro(2,3-dimethylbutane-2,3-diolato-O,O'(2-))(2,3-dimethylbutane-2,3- diolato-O,O'-(1-))oxotungsten(VI)","","- C12 H25 Cl O5 W -","- C12 H25 Cl O5 W -","- C24 H50 Cl2 O10 W2 -","2","1","AB1506","Lehtonen, Ari; Sillanpää, Reijo","Chloro[2,3-dimethylbutane-2,3-diolato(2 ‒)-<i>O</i>,<i>O</i>'][2,3-dimethylbutane-2,3-diolato(1 ‒)-<i>O</i>,<i>O</i>']oxotungsten(VI)","Acta Crystallographica Section C","1998","54","7","935","937","10.1107/S0108270198000705","","","0.71069","MoKα","","0.024","0.02","","0.045","0.045","","","","1.096","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007399","6.739","0.001","10.731","0.001","11.606","0.001","100.96","0.001","98.01","0.001","105.11","0.01","779.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","AB1522","Puviarasan, Krishnan.; Govindasamy, Lakshmanan.; Velmurugan, Devadesan.; Shanmuga Sundara Raj, Sivanantha Perumal.; Shanmuga sundaram, Muthian.; Raghunathan, Raghavachary.; Hoong-Kun Fun","3-Phenylspiro[bicyclo[2.2.1]hept-5-ene-2,3'-chroman]-4'-one","Acta Crystallographica Section C","1998","54","7","961","963","10.1107/S0108270198000110","","","0.71073","MoKα","","0.0561","0.0415","","","","0.1298","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007400","14.8109","0.0004","9.6159","0.0003","12.2536","0.0004","90","","91.705","0.001","90","","1744.39","0.09","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-ethylene-bis(salicylideneaminato)-nitrido-chromium(V)","","- C17 H17 Cr N4 O4 -","- C17 H17 Cr N4 O4 -","- C68 H68 Cr4 N16 O16 -","4","1","AB1529","Jesper Bendix; Scott R. Wilson; Teresa Prussak-Wieckowska","The Improved Synthesis of [Cr(N)(salen)].CH~3~NO~2~","Acta Crystallographica Section C","1998","54","7","923","925","10.1107/S0108270198000870","","","0.71073","MoKα","","0.06","0.042","","0.108","0.094","","","","1.116","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007401","16.886","0.003","12.481","0.002","11.521","0.002","90","","90","","90","","2428.1","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","bis-(μ-(3,4-dimethylphospholyl))-octacarbonyl-dimanganese","","- C20 H16 Mn2 O8 P2 -","- C20 H16 Mn2 O8 P2 -","- C80 H64 Mn8 O32 P8 -","4","","AB1530","Flörke, Ulrich; Krampe, Olaf; Haupt, Hans-Jürgen","Bis(μ-3,4-dimethylphosphol-1-yl)bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1998","54","7","918","920","10.1107/S0108270198001036","","","0.71073","MoKα","","0.0543","0.0345","","0.0932","","0.0745","","","1.063","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007402","23.437","0.003","11.8595","0.0013","17.898","0.002","90","","97.418","0.01","90","","4933.1","1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,17-Dinitro-11,23-diphthalimido-25,26,27,28-tetrapropoxycalix[4]arene","","- C56 H52 N4 O12 -","- C56 H52 N4 O12 -","- C224 H208 N16 O48 -","4","0.5","AB1536","Spek, Anthony L.; Boerrigter, Harold; Verboom, Willem; Reinhoudt, David N.","5,17-Dinitro-11,23-diphthalimido-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section C","1998","54","7","1023","1025","10.1107/S0108270198001516","","","0.71073","MoKα","","0.095","0.05","","","","0.117","","","","","","1.004","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007403","10.01","0.002","10.737","0.002","10.512","0.002","90","","99.41","0.01","90","","1114.6","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenanthrene-4-carboxylic acid","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.049","","0.114","","0.114","","","","","","1.19","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007404","16.065","0.003","16.534","0.002","8.632","0.002","90","","90","","90","","2292.8","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-dihydrophenanthrene-4-carboxylic acid","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.043","","0.104","","0.104","","","1.25","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007405","8.574","0.001","30.57","0.009","7.0473","0.0008","90","","100.53","0.01","90","","1816","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","BK1361","S. Selladurai; R. Chandrasekaran; L. Govindasamy; Il-Hwan Suh","9-(4-Dimethylaminophenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","7","957","959","10.1107/S0108270198001401","","","0.71069","MoKα","","0.116","0.049","","0.291","","0.291","","","1.616","","","1.091","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007406","28.048","0.002","7.9501","0.0014","13.6096","0.001","90","","90","","90","","3034.7","0.6","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C44 H104 Cl8 N8 O24 Pd8 S14 -","2","0.5","BM1182","Chen, Xiao-hua; Zhu, Long-gen; Duan, Chun-ying; Liu, Yong-jiang; Kostic, Nenad M.","A Tetranuclear Complex of Palladium(II) with Cysteine","Acta Crystallographica Section C","1998","54","7","909","911","10.1107/S0108270198001012","","","0.71073","MoKα","","0.1136","0.0668","","0.2384","0.1713","","","","1.204","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007407","14.574","0.008","6.5096","0.0016","10.103","0.005","90","","109.82","0.04","90","","901.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,4a,5,6,7,8,8a-octahydro-8a-hydroxy-2-quinolone","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","BM1184","Stefano Alini; Attilio Citterio; Alessandra Farina; Maria Cristina Fochi; Luciana Malpezzi","3,4,4a,5,6,7,8,8a-Octahydro-8a-hydroxy-2-quinolone and its 8a-Hydroperoxy Derivative","Acta Crystallographica Section C","1998","54","7","1000","1003","10.1107/S0108270198001565","","","1.54178","CuKα","","0.034","0.037","","","0.105","0.107","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007408","6.912","0.001","10.905","0.002","12.848","0.002","90","","102.62","0.01","90","","945","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,4a,5,6,7,8,8a-octahydro-8a-hydroperoxy-2-quinolone","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","BM1184","Stefano Alini; Attilio Citterio; Alessandra Farina; Maria Cristina Fochi; Luciana Malpezzi","3,4,4a,5,6,7,8,8a-Octahydro-8a-hydroxy-2-quinolone and its 8a-Hydroperoxy Derivative","Acta Crystallographica Section C","1998","54","7","1000","1003","10.1107/S0108270198001565","","","1.54178","CuKα","","0.055","0.044","","","0.119","0.127","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007409","9.554","0.001","10.401","0.001","12.999","0.001","71.92","0.01","70.72","0.01","74.95","0.01","1141.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C60 H44 N4 O4 -","2","1","BM1201","Puviarasan, K.; Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Shanmuga Sundaram, M.; Raghunathan, R.","1,3,4,8-Tetraphenyl-7-oxa-1,2-diazaspiro[4.4]nona-2,8-dien-6-one","Acta Crystallographica Section C","1998","54","7","959","961","10.1107/S0108270197020180","","","0.71073","MoKα","","0.0812","0.0407","","","","0.1141","","","","","","0.783","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007410","11.999","0.002","15.45","0.002","13.197","0.002","90","","90","","90","","2446.5","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ferrocenium μ-bromo-bis(dibromodimethylstannate(IV))","","- C14 H22 Br5 Fe Sn2 -","- C14 H22 Br5 Fe Sn2 -","- C56 H88 Br20 Fe4 Sn8 -","4","0.5","BM1212","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Chinnakali, Kandasamy","Ferrocenium μ-Bromo-bis[dibromodimethylstannate(IV)]","Acta Crystallographica Section C","1998","54","7","912","914","10.1107/S0108270198002352","","","0.71073","MoKα","","0.2","0.043","","0.107","0.081","","","","0.704","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007411","10.7138","0.0011","11.5397","0.0014","18.747","0.003","90","","90","","90","","2317.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 5-deoxy-5-C-[(iododiphenylstannyl)methyl]-2,3-O-isopropylidene -α-D-lyxofuranoside","","- C22 H27 I O4 Sn -","- C22 H27 I O4 Sn -","- C88 H108 I4 O16 Sn4 -","4","1","BM1215","Charles C. C. Chibesakunda; Philip J. Cox; Helena Rufino; James L. Wardell","Methyl 5-Deoxy-5-<i>C</i>-[(iododiphenylstannyl)methyl]-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-lyxofuranoside","Acta Crystallographica Section C","1998","54","7","925","927","10.1107/S0108270198001413","","","0.71073","MoKα","","0.04","0.038","","","","0.093","","","","","","1.12","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007412","7.638","0.008","10.885","0.012","10.845","0.012","60.832","0.01","69.164","0.01","79.24","0.01","735.7","1.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tri-2-pyridyl-1,3,5-Triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C36 H24 N12 -","2","1","BM1223","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Russell, Mark L.; Madic, Charles","2,4,6-Tris(2-pyridyl)-1,3,5-triazine","Acta Crystallographica Section C","1998","54","7","985","987","10.1107/S0108270198001929","","","0.71073","MoKα","","0.058","0.05","","","","0.159","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007413","8.052","0.003","6.632","0.005","9.815","0.002","90","","90","","90","","524.1","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- As Li3 S3 -","- As Li3 S3 -","- As4 Li12 S12 -","4","1","BR1180","Seung,Do-Young; Gravereau,Pierre; Trut,Louis; Levasseur,Alain","Li~3~AsS~3~","Acta Crystallographica Section C","1998","54","7","900","902","10.1107/S0108270198001103","","","0.7107","MoKα","","","0.051","","","","0.1017","","","","","","1.182","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007415","15.6684","0.0008","15.6684","0.0008","3.829","0.001","90","","90","","90","","940","0.3","298","","298","","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium arsenic pentacosaoxide,","","- As Nb9 O25 -","- As Nb9 O25 -","- As2 Nb18 O50 -","2","0.125","BR1199","Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh","A Niobium(V) Arsenate: Nb~9~AsO~25~","Acta Crystallographica Section C","1998","54","7","898","900","10.1107/S0108270198000134","","","0.71073","MoKα","","0.0295","0.0259","","0.0528","0.0522","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007416","9.728","0.002","10.556","0.002","9.499","0.003","108.59","0.02","93.55","0.02","102.414","0.015","893.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br2.5 Cl1.5 O2 P2 Re -","- C36 H30 Br2.52 Cl1.52 O2 P2 Re -","- C36 H30 Br2.52 Cl1.52 O2 P2 Re -","1","0.5","CF1176","Harben, Spencer M.; Smith, Paul D.; Beddoes, Roy L.; Helliwell, Madeleine; Collison, David; Garner, C. David","Mixed-halide Complex <i>trans</i>-Tetrahalobis(triphenylphosphine oxide)rhenium(IV)","Acta Crystallographica Section C","1998","54","7","941","943","10.1107/S0108270197018027","","","1.54178","CuKα","","0.056","0.052","","0.148","0.1411","","","","1.095","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007417","8.483","0.001","19.174","0.003","7.1793","0.0008","90","","90","","90","","1167.7","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","CF1221","Graham, Duncan; Kennedy, Alan R.","7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline","Acta Crystallographica Section C","1998","54","7","978","980","10.1107/S0108270198001577","","","0.71069","MoKα","","0.076","0.036","","0.047","0.041","","","","","1.22","1.22","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007418","9.023","0.0005","17.894","0.002","24.469","0.002","90","","90","","90","","3950.7","0.6","299","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α-(3'-furyl)-4β,4aβ-epoxy-5,8aα-dimethyl-3-oxohexahydro- 1H-2-benzopyran","","- C15 H16 O4 -","- C15 H16 O4 -","- C180 H192 O48 -","12","3","DA1000","Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H.","Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i>","Acta Crystallographica Section C","1998","54","7","950","952","10.1107/S0108270197015151","","","1.54184","CuKα","","","0.052","","","0.044","","","","","1.557","1.557","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2007419","11.159","0.002","16.21","0.003","16.807","0.003","87.58","0.03","81.48","0.03","80.65","0.03","2966.2","1","295","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H79 N3 O11 -","- C68 H79 N3 O11 -","- C136 H158 N6 O22 -","2","1","DA1004","Nachtigall, Francine F.; Vencato, Ivo; Lazzarotto, Márcio; Nome, Faruk","Calix[4]arene Piperidinium Salt","Acta Crystallographica Section C","1998","54","7","1007","1010","10.1107/S0108270197019197","","","0.71073","MoKα","","0.1065","0.0567","","","","0.1917","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007420","5.0283","0.0003","8.0427","0.0005","16.03","0.001","90","","90","","90","","648.27","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Lithium Ethylene Glyconate","mono lithium ethylene glyconate","","- C2 H5 Li O2 -","- C2 H5 Li O2 -","- C16 H40 Li8 O16 -","8","1","DA1011","Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley","Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)","Acta Crystallographica Section C","1998","54","7","937","939","10.1107/S0108270198002121","","","0.71069","MoKα","","","0.036","","","0.055","","","","","1.63","1.63","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007421","12.704","0.002","15.788","0.004","16.676","0.002","90","","107.7","0.01","90","","3186.4","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C152 H144 N16 O8 -","8","2","DE1064","R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal","Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline","Acta Crystallographica Section C","1998","54","7","976","978","10.1107/S0108270198000146","","","0.71073","MoKα","","0.118","0.07","","0.148","0.135","","","","1.284","1.547","1.547","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007422","10.25","0.004","19.183","0.005","10.077","0.005","90","","99.05","0.03","90","","1956.7","1.3","288","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F2 N O6 S2 -","- C17 H16 Cl F2 N O6 S2 -","- C68 H64 Cl4 F8 N4 O24 S8 -","4","1","DE1071","Masakazu Sato; Keita Matsumoto; Yutaka Kawashima; Kazuyuki Tomisawa","Methyl Ester of the Bioactive Metabolite of Thromboxane A2 Receptor Antagonist ON-579","Acta Crystallographica Section C","1998","54","7","982","984","10.1107/S0108270198000158","","","1.5418","CuKα","","","0.052","","","0.048","","","","","3.267","3.267","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007423","6.87","0.002","20.711","0.002","8.526","0.001","90","","100.69","0.01","90","","1192.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine","(±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","1","DE1077","Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi","A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond","Acta Crystallographica Section C","1998","54","7","980","982","10.1107/S010827019800016X","","","1.5418","CuKα","","0.069","0.052","","0.143","0.134","","","","2.098","2.259","2.259","","","","","has coordinates,has disorder","194474","2020-10-21","18:00:00",""
"2007424","16.603","0.005","6.743","0.001","12.136","0.005","90","","130.77","0.02","90","","1029","0.6","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","1","FG1368","Jordan, Richard F.; Black, David G.; Swenson, Dale C.","(5a<i>R</i>,9a<i>R</i>)-2,4-Dimethyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1998","54","7","1030","1033","10.1107/S0108270198001279","","","0.7107","MoKα","","0.0577","0.0439","","0.1092","0.103","","","","1.041","1.082","1.082","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007425","8.57","0.002","12.4127","0.0015","14.549","0.002","90","","106.502","0.015","90","","1483.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone","","- C35 H37 N O3 -","- C35 H37 N O3 -","- C70 H74 N2 O6 -","2","1","FG1426","Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","<i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide‒Acetone: a Novel 1:1 Cavitate","Acta Crystallographica Section C","1998","54","7","1013","1016","10.1107/S0108270198001280","","","0.71069","MoKα","","0.1349","0.0381","","0.1256","","0.0922","","","1.012","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007426","9.5604","0.0015","18.2218","0.0017","12.782","0.003","90","","107.536","0.017","90","","2123.2","0.7","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Doxylamine tetrachlorozincate(II)","","","- C17 H24 Cl4 N2 O Zn -","- C17 H24 Cl4 N2 O Zn -","- C68 H96 Cl16 N8 O4 Zn4 -","4","1","FG1429","Parvez, Masood; Sabir, Aaliya P.","Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","7","933","935","10.1107/S0108270198001292","","","1.54178","CuKα","","0.0654","0.0429","","","","0.1099","","","","","","1.001","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007427","9.5279","0.0012","18.229","0.003","12.7795","0.0013","90","","107.313","0.009","90","","2119","0.5","170","1","170","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Doxylamine tetrachlorocobaltate(II)","","","- C17 H24 Cl4 Co N2 O -","- C17 H24 Cl4 Co N2 O -","- C68 H96 Cl16 Co4 N8 O4 -","4","1","FG1429","Parvez, Masood; Sabir, Aaliya P.","Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","7","933","935","10.1107/S0108270198001292","","","0.71069","MoKα","","0.215","0.0484","","","","0.1673","","","","","","0.953","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007428","9.8769","0.0001","9.8769","0.0001","35.3642","0.0002","90","","90","","90","","3449.89","0.05","223","2","223","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 N3 O -","- C20 H18 N3 O -","- C160 H144 N24 O8 -","8","1","FR1077","George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.","2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","7","1033","1036","10.1107/S0108270197018398","","","0.71073","MoKα","","0.0784","0.0504","","0.1175","0.103","","","","1.043","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007429","10.598","0.002","7.5746","0.001","19.053","0.004","90","","103.026","0.011","90","","1490.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","FR1077","George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.","2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","7","1033","1036","10.1107/S0108270197018398","","","0.71073","MoKα","","0.0981","0.0495","","0.1136","0.0944","","","","1.015","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007430","7.425","0.002","9.568","0.003","14.035","0.004","90","","97.13","0.02","90","0.02","989.4","0.5","163","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dimethyltetrathiafulvalene","","- C8 H8 S4 -","- C8 H8 S4 -","- C32 H32 S16 -","4","1","FR1086","Uzelmeier, Calvin E.; Fourmigué, Marc; Dunbar, Kim R.","3,4-Dimethyltetrathiafulvalene","Acta Crystallographica Section C","1998","54","7","1047","1049","10.1107/S0108270198000894","","","0.71073","MoKα","","","0.035","","","","0.093","","","1.068","1.123","1.123","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007431","11.1046","0.0005","15.0729","0.0008","14.2998","0.0007","90","","100.205","0.001","90","","2355.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F24 N2 Ni2 O10 S2 -","- C38 H26 F24 N2 Ni2 O10 S2 -","- C76 H52 F48 N4 Ni4 O20 S4 -","2","0.5","FR1094","Dickman, Michael H.; Ward, Jeffrey P.; Villamena, Frederick A.; Crist, DeLanson R.","Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine <i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section C","1998","54","7","929","930","10.1107/S0108270198000730","","","0.71073","MoKα","","0.041","0.031","","0.076","0.071","","","","1.03","1.055","1.055","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007432","24.823","0.004","18.17","0.002","11.429","0.002","90","","110.61","0.01","90","","4824.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(quinoline)-1κN;2κN-di-(-bromine-1:2κ^4^Br- bis(triphenylphosphine)-1κP;2κP-di-copper(1)","","- C54 H44 Br2 Cu2 N2 P2 -","- C54 H44 Br2 Cu2 N2 P2 -","- C216 H176 Br8 Cu8 N8 P8 -","4","0.5","FR1096","Jin, Qiong-Hua; Long, De-Liang; Wang, Yu-Xian; Xin, Xin-Quan","Di-μ-bromo-1:2κ^4^<i>Br</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1998","54","7","948","949","10.1107/S0108270198000997","","","0.71073","MoKα","","","0.036","","","0.072","","","","","1.051","1.051","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007433","7.863","0.003","8.171","0.002","13.415","0.003","78.11","0.02","74.4","0.03","85.12","0.03","811.9","0.4","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Mo2 O8 Si2 -","- C26 H34 Mo2 O8 Si2 -","- C26 H34 Mo2 O8 Si2 -","1","0.5","FR1100","Katharine J. Covert; Jonathan L. Male; David R. Tyler; Timothy J. R. Weakley","Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-bis{1,2(η^5^)-1-[2-(trimethylsiloxy)ethyl]cyclopentadienyl}dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1998","54","7","943","945","10.1107/S0108270198000742","","","0.71073","MoKα","","","0.031","","","0.033","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007434","4.615","0.001","7.519","0.001","24.97","0.001","90","","90.65","0.02","90","","866.3","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-aminocaprylic acid","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Dobson, Allison J.; Gerkin, Roger E.","8-Aminocaprylic Acid","Acta Crystallographica Section C","1998","54","7","969","972","10.1107/S0108270198001309","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2007435","17.964","0.002","8.716","0.001","8.172","0.001","90","","90","","90","","1279.5","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-3-aminoisobutyric acid monohydrate","","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","FR1106","Dobson, Allison J.; Gerkin, Roger E.","<small>DL</small>-3-Aminoisobutyric Acid Monohydrate","Acta Crystallographica Section C","1998","54","7","972","974","10.1107/S0108270198001310","","","0.71073","MoKα","","","0.04","","","","0.056","","","","","","1.87","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007436","3.7582","0.0004","14.5505","0.0015","6.2451","0.0006","90","","101.162","0.008","90","","335.05","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-diamino-dichloropyrazine","","- C4 H4 Cl2 N4 -","- C4 H4 Cl2 N4 -","- C8 H8 Cl4 N8 -","2","0.5","FR1107","Barclay, Tosha M.; Cordes, A. Wallace; Oakley, Richard T.; Preuss, Kathryn E.; Zhang, Hongzhou","2,5-Diamino-3,6-dichloropyrazine","Acta Crystallographica Section C","1998","54","7","1018","1019","10.1107/S0108270198001152","","","0.7107","MolybdenumKα","","0.033","0.033","","0.063","0.063","","","","","1.08","1.08","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007437","9.542","0.005","10.327","0.006","11.857","0.009","114.41","0.05","90.7","0.05","96.61","0.05","1054.6","1.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","GS1001","Kubicki, Marek M.; Blacque, Olivier; Djapa, Francis; Ciamala, Kabula; Vebrel, Joël","4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","Acta Crystallographica Section C","1998","54","7","1027","1028","10.1107/S0108270198001930","","","0.71073","MoKα","","0.165","0.048","","","","0.125","","","","","","0.994","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007438","7.3367","0.0007","7.7985","0.0008","8.396","0.0009","69.989","0.001","64.152","0.001","89.997","0.002","399.85","0.07","157","","157","","","","","","","","","4","P -1","-P 1","2","","3,4-Dimethylpyridinehydrobromide","","- C7 H10 Br N -","- C7 H10 Br N -","- C14 H20 Br2 N2 -","2","1","HA1209","Bolte, Michael; Kettner, Markus","The Twinned Crystal Structure of 3,4-Dimethylpyridine Hydrobromide at 157K","Acta Crystallographica Section C","1998","54","7","963","964","10.1107/S0108270198001164","","","0.71073","MoKα","","0.0718","0.0617","","0.1324","0.1274","0.1324","","","1.08","","","1.08","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007439","4.741","0.0009","15.293","0.005","19.61","0.005","90","","90","","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl2 N O -","- C17 H11 Cl2 N O -","- C68 H44 Cl8 N4 O4 -","4","1","HA1210","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut","<i>N</i>-(3,5-Dichlorophenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","7","974","976","10.1107/S0108270198001176","","","0.71093","MoKα","","0.0496","0.0358","","0.1034","0.0954","","","","1.077","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007440","9.9807","0.0007","7.5585","0.0006","17.0244","0.0012","90","","90.196","0.007","90","","1284.3","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-anilinyl-4-toluenesulfonate","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","HA1211","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline","Acta Crystallographica Section C","1998","54","7","954","955","10.1107/S0108270198001425","","","0.71073","MoKα","","0.067","0.039","","0.107","0.097","","","","0.901","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007441","10.7523","0.0006","11.0208","0.0007","14.0493","0.0009","90","","90","","90","","1664.83","0.18","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,3S)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide methanol solvate","","- C14 H16 Cl3 N3 O2 -","- C14 H16 Cl3 N3 O2 -","- C56 H64 Cl12 N12 O8 -","4","1","JZ1190","Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard","Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo","Acta Crystallographica Section C","1998","54","7","1005","1007","10.1107/S0108270198001437","","","0.71073","MoKα","","","0.045","","","","0.115","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007443","5.838","0.001","7.231","0.001","20.548","0.001","90","","90","","90","","867.4","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","1","JZ1270","Eilers, Frank; Bach, Thorsten; Fröhlich, Roland","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","Acta Crystallographica Section C","1998","54","7","1011","1013","10.1107/S0108270198001528","","","1.54178","CuKα","","0.031","0.031","","0.09","0.09","","","","1.132","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007444","9.4468","0.0009","10.7321","0.0008","10.9452","0.0009","91.601","0.008","93.036","0.009","92.609","0.009","1106.45","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazole-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')- copper(II)","","- C21 H27 Cu N5 O3 -","- C21 H27 Cu N5 O3 -","- C42 H54 Cu2 N10 O6 -","2","1","JZ1275","Warda, Salam A.","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","7","916","918","10.1107/S0108270198001942","","","0.71073","MoKα","","0.064","0.034","","","","0.059","","","","","","0.995","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007445","12.533","0.003","12.649","0.003","25.319","0.005","84.79","0.03","80.74","0.03","83.84","0.03","3927.6","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Tetraundecylpentacyclooctacosadodecaeneoctol","2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene -4,6,10,12,16,18,22,24-octol","","- C80 H136 O12 -","- C80 H136 O12 -","- C160 H272 O24 -","2","1","KA1222","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank","Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)","Acta Crystallographica Section C","1998","54","7","987","992","10.1107/S0108270197019689","","","0.71069","MoKα","","0.144","0.074","","0.196","0.175","","","","0.783","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007446","11.9971","0.0014","12.7","0.002","25.742","0.004","80.06","0.02","84.22","0.02","82.372","0.009","3816.9","1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Tetraundecylpentacyclooctacosadodecaenedodecol","2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene- 4,5,6,10,11,12,16,17,18,22,23,24-dodecol","","- C77 H129 O15.5 -","- C77 H123 O15.5 -","- C154 H246 O31 -","2","1","KA1222","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank","Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)","Acta Crystallographica Section C","1998","54","7","987","992","10.1107/S0108270197019689","","","0.71069","MoKα","","0.15","0.084","","0.241","0.223","","","","0.882","1.339","1.339","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007447","8.387","0.001","12.511","0.002","11.806","0.003","90","","96.11","0.02","90","","1231.8","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","dichloro(1,4,7-trithiacyclodecane)platinum","","","- C7 H14 Cl2 Pt S3 -","- C7.5 H17 Cl2 Pt S3.5 -","- C30 H68 Cl8 Pt4 S14 -","4","2","KA1253","Lee, Gene-Hsiang","Platinum Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1998","54","7","906","909","10.1107/S0108270197014509","","","0.71073","MoKα","","0.069","0.041","","0.042","0.041","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007448","17.998","0.004","11.627","0.002","13.69","0.003","90","","96.75","0.02","90","","2844.9","1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(1,4,7,-trithiacyclodecane)platinum dichloride heptahydrate","","","- C14 H42 Cl2 O7 Pt S6 -","- C14 H44 Cl O6 Oc2 Pt S6 -","- C56 H176 Cl4 O24 Oc8 Pt4 S24 -","4","0.5","KA1253","Lee, Gene-Hsiang","Platinum Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1998","54","7","906","909","10.1107/S0108270197014509","","","0.71073","MoKα","","0.042","0.029","","0.045","0.044","","","","","2.49","2.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007449","21.595","0.013","12.323","0.007","9.266","0.006","90","","98.9","0.05","90","","2436","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(2-Benzothiazolyl)-3,3,3-trichloro-2-propanol","","- C10 H8 Cl3 N O S -","- C10 H8 Cl3 N O S -","- C80 H64 Cl24 N8 O8 S8 -","8","1","KA1264","Viktor Vrábel; Július Sivý; Drahomír Oktavec; Alexander Bartovič","1-(1,3-Benzothiazol-2-yl)-3,3,3-trichloro-2-propanol","Acta Crystallographica Section C","1998","54","7","984","985","10.1107/S0108270198001589","","","0.71069","MoKα","","0.12","0.039","","0.078","0.07","","","","0.851","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007450","11.834","0.002","8.841","0.002","12.889","0.002","90","","93.41","0.02","90","","1346.1","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methylphenylammonium hydrogen dipicolinate","Methylphenylammonium hydrogen 2,6-pyridinecarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","KA1269","Ng, Seik Weng; Turnbull, Mark M.","Methylphenylammonium Hydrogen 2,6-Pyridinedicarboxylate at 158K","Acta Crystallographica Section C","1998","54","7","1025","1027","10.1107/S0108270198001590","","","0.71073","MoKα","","0.103","0.042","","0.071","0.068","","","","0.737","0.955","0.955","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007451","5.96","0.003","8.312","0.005","32.8","0.03","90","","90","","90","","1625","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N, N'-methylene-bis(5-phenyl-oxazolidine)","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","LN1028","Lemoine, Pascale; Viossat, Bernard; Martin, Pierre-Guy; Aitken, David J.","<i>N</i>,<i>N</i>'-Methylenebis[(<i>S</i>)-5-phenyloxazolidine]","Acta Crystallographica Section C","1998","54","7","1036","1038","10.1107/S010827019701562X","","","0.71069","MoKα","","0.145","0.058","","0.2","0.094","","","","1.078","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007452","10.51","0.003","10.288","0.004","10.227","0.003","90","","117.6","0.02","90","","980","0.6","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O10 S2 -","- C18 H12 N2 O10 S2 -","- C36 H24 N4 O20 S4 -","2","0.5","LN1048","Bertault, Marcel; Even, Jacky; Toupet, Loic","Monomeric pNBS: Bis(<i>p</i>-nitrobenzenesulfonate) of 2,4-Hexadiyne","Acta Crystallographica Section C","1998","54","7","1028","1030","10.1107/S0108270198000754","","","0.71073","MoKα","","0.0998","0.034","","0.0954","0.077","","","","1.001","1.066","1.066","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007453","11.822","0.004","14.812","0.005","22.612","0.003","73.57","0.02","75.4","0.02","67.38","0.03","3459.5","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(p-methoxyphenyl)tellurium(IV) diiodide","","- C14 H14 I2 O2 Te -","- C14.5 H12.5 I2 O2.5 Te -","- C116 H100 I16 O20 Te8 -","8","4","MU1363","Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos","Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide","Acta Crystallographica Section C","1998","54","7","995","1000","10.1107/S0108270197016387","","","0.71069","MoKα","","0.049","0.0365","","0.0942","0.0919","","","","1.066","1.172","1.172","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007454","10.334","0.001","13.091","0.001","14.588","0.001","110.237","0.007","100.875","0.006","100.272","0.008","1753.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(p-methoxyphenyl)tellurium(IV) diiodide","","- C14 H14 I2 O2 Te -","- C14 H14 I2 O2 Te -","- C56 H56 I8 O8 Te4 -","4","2","MU1363","Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos","Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide","Acta Crystallographica Section C","1998","54","7","995","1000","10.1107/S0108270197016387","","","0.71069","MoKα","","0.049","0.0277","","0.0725","0.0706","","","","1.013","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007455","7.049","0.002","7.492","0.004","15.077","0.006","91.57","0.04","92.83","0.03","99.74","0.03","783.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κN-hydrazide‒Cyanoborane","","- C15 H16 B F N4 O -","- C15 H16 B F N4 O -","- C30 H32 B2 F2 N8 O2 -","2","1","NA1320","Bruno, Giuseppe; Maccari, Rosanna; Nicoló, Francesco; Ottaná, Rosaria; Panzalorto, Manuela; Scopelliti, Rosario; Vigorita, Maria Gabriella","2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κ<i>N</i>-hydrazide‒Cyanoborane","Acta Crystallographica Section C","1998","54","7","1038","1040","10.1107/S0108270198001681","","","0.71073","MoKα","","0.152","0.063","","0.187","0.152","","","","0.82","1.193","1.193","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007456","13.24","0.005","13.24","0.005","7.157","0.005","90","0.005","90","0.005","120","0.005","1086.5","1","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(3R,4S)-N-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-O-isopropylidene-1-pentyne","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C45 H57 N3 O9 -","3","1","NA1331","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Structures of Chiral Hydroxylamines. VI. (3<i>R</i>,4<i>S</i>)-<i>N</i>-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-<i>O</i>-isopropylidene-1-pentyne","Acta Crystallographica Section C","1998","54","7","1003","1004","10.1107/S010827019800153X","","","0.71069","MoKα","","0.05","0.041","","0.108","","0.102","","","1.062","","","1.093","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007457","17.435","0.001","10.926","0.001","9.089","0.002","90","","93.01","0.01","90","","1729","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-b]pyridin-3-(2H)- one","","- C19 H22 N4 O S -","- C19 H22 N4 O S -","- C76 H88 N16 O4 S4 -","4","1","NA1333","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","992","994","10.1107/S0108270198001474","","","1.54178","CuKα","","0.057","0.041","","0.129","0.119","","","","1.085","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007458","8.664","0.001","10.64","0.002","8.822","0.001","90","","108.38","0.01","90","","771.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cis,anti-7-phenyl-7a,8,9,10a-tetrahydro-6H,7H-furo[3',2':5,6]pyrano[3,2-c][1] benzopyran-6-one","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.074","0.041","","0.088","0.074","","","","1.114","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007459","11.987","0.002","10.028","0.002","13.413","0.002","90","","107.551","0.008","90","","1537.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-3,4-dihydro-2-ethoxy-4-[2-furyl]-2H,5H-pyrano[3,2-c][1]benzopyran-5-one","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.057","0.036","","0.101","0.094","","","","0.962","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007460","11.682","0.001","11.101","0.001","12.61","0.001","90","","93.66","0.01","90","","1632","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-3,4-dihydro-2-ethoxy-4-phenyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.069","0.037","","0.096","0.087","","","","0.922","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007461","8.276","0.001","15.024","0.001","14.448","0.001","90","","98.68","0.01","90","","1775.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-3,4-dihydro-2-ethoxy-4-(2-nitrophenyl)-2H,5H-pyrano[3,2-c][1]benzopyran-5- one","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.067","0.033","","0.079","0.071","","","","0.851","1.026","1.026","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007462","10.392","0.001","17.192","0.001","11.193","0.001","90","","107.394","0.006","90","","1908.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-2-ethoxy-4-methoxycarbonyl-4-phenyl-2H,5H-pyrano[3,2-c][1]benzo pyran-5-one","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.072","0.04","","0.1","0.088","","","","1.014","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007463","12.5841","0.0008","12.5841","0.0008","18.993","0.002","90","","90","","120","","2604.8","0.4","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris(selenophenyl)methane","","- C19 H16 Se3 -","- C19 H16 Se3 -","- C114 H96 Se18 -","6","0.333333","NA1344","Schulz Lang, Ernesto; Pradella Ziani, Juliana; Abram, Ulrich","Tris(phenylseleno)methane","Acta Crystallographica Section C","1998","54","7","1010","1011","10.1107/S0108270198001085","","","0.71073","MoKα","","0.048","0.029","","","","0.067","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007464","23.63","0.006","10.985","0.001","9.779","0.003","90","","91.06","0.01","90","","2538","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Co(DH)~2~(4-^t^Bu-Py)(PhS)","Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C23 H32 Co N5 O4 S -","- C23 H32 Co N5 O4 S -","- C92 H128 Co4 N20 O16 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.054","0.034","","0.09","0.084","","","","1.076","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007465","12.898","0.001","18.482","0.002","11.412","0.001","90","","90","","90","","2720.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co(DH)~2~(4-^t^Bu-Py)(4-MeO-PhS)","Bis(dimethylglyoximato)(4-methoxybenzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C24 H34 Co N5 O5 S -","- C24 H34 Co N5 O5 S -","- C96 H136 Co4 N20 O20 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.06","0.035","","0.09","0.099","","","","1.028","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007466","13.367","0.003","10.019","0.002","15.554","0.002","90","","109.56","0.01","90","","1962.8","0.7","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","","0.05","","","0.057","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007467","13.948","0.002","11.703","0.002","14.725","0.002","90","","116.753","0.008","90","","2146.3","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2-diphenyl-1,3,6,9,12,15-hexaoxacycloheptadecane","","- C23 H30 O6 -","- C23 H28.494 O6 -","- C92 H113.976 O24 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","0.17","0.051","","0.199","0.141","","","","1.01","1.16","1.16","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007468","21.97","0.04","6.155","0.003","19.98","0.04","90","","122.08","0.09","90","","2289","7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- I4 O Ta4 Te9 -","- I4 O Ta4 Te9 -","- I16 O4 Ta16 Te36 -","4","0.5","OH1092","Huang, Da-Ping; Huang, Chang-Cang; Liu, Shi-Xiong; Xu, Huai-Da; Huang, Jin-Ling","An Oxygen-Centred Tetranuclear Tantalum Cluster: Ta~4~O(Te~2~)~4~TeI~4~","Acta Crystallographica Section C","1998","54","7","893","895","10.1107/S0108270197018593","","","0.71069","MoKα","","","0.033","","","0.043","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007469","7.712","0.002","26.454","0.008","6.777","0.002","91.06","0.02","102.02","0.02","94.69","0.02","1346.9","0.7","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- I10 Ta7 Te24 -","- I10 Ta7 Te24 -","- I10 Ta7 Te24 -","1","0.5","OH1093","Huang, Jin-Ling; Huang, Da-Ping; Liu, Shi-Xiong; Huang, Chang-Cang; Xu, Huai-Da","A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~)","Acta Crystallographica Section C","1998","54","7","895","897","10.1107/S010827019701860X","","","0.71069","MoKα","","","0.0318","","","0.0554","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007470","7.7068","0.0011","10.1645","0.0012","9.691","0.002","90","","90","","90","","759.2","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.048","0.035","","0.088","0.079","","","","1.147","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007471","10.175","0.002","9.6082","0.0014","9.577","0.002","90","","90","","90","","936.3","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.084","0.043","","0.125","0.103","","","","1.042","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007472","6.1062","0.0012","8.404","0.002","17.721","0.003","90","","93.478","0.015","90","","907.7","0.3","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 O2 S2 -","- C7 H12 O2 S2 -","- C28 H48 O8 S8 -","4","1","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71073","MoKα","","0.03","0.027","","0.074","0.072","","","","1.084","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007473","14.225","0.002","14.225","0.002","5.9","0.003","90","","90","","120","","1033.9","0.6","293","","","","","","","","","","","3","P 31","P 31","144","","(1R,2R,5S,7R,8R,9S)-2,6,6,8-tetramethyl tricyclo[5.3.1^1,7^.0^1,5^]undecane-8,9-diol","","- C15 H26 O2 -","- C15 H26 O2 -","- C45 H78 O6 -","3","1","QA0041","Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun","Cedranediol: a New Auxiliary for Asymmetric Homologation","Acta Crystallographica Section C","1998","54","7","IUC9800027","","10.1107/S0108270198099557","","","0.7107","MoKα","","","0.04","","","0.043","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007474","11.2771","0.001","11.3895","0.0011","13.715","0.002","90","","90","","90","","1761.6","0.3","133","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4R,5R)-2-benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy- 4,5-dimethyl-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","QA0042","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K","Acta Crystallographica Section C","1998","54","7","IUC9800033","","10.1107/S010827019809951X","","","0.71073","Mo-Kα","","","0.033","","","0.037","","","","","1.475","1.475","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007475","10.2091","0.0009","11.4381","0.0009","20.236","0.003","90","","93.831","0.009","90","","2357.7","0.4","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bis(trimethylsilyl)amino-2-methoxy-3-methyl-6-(trimethylsilylamino)- pyrimidin-4(3H)-one","","- C15 H34 N4 O2 Si3 -","- C15 H34 N4 O2 Si3 -","- C60 H136 N16 O8 Si12 -","4","1","QA0044","Molina, Sebastian; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Ferguson, George; Low, John N.","5-[Bis(trimethylsilyl)amino]-2-methoxy-3-methyl-6-(trimethylsilylamino)pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","IUC9800030","","10.1107/S0108270198099533","","","0.7107","MolybdenumKα","","0.0951","0.0483","","","","0.1339","","","","","","0.988","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007476","9.1779","0.0008","9.5094","0.0007","29.07","0.002","90","","90","","90","","2537.1","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine","","- C20 H25 N5 O11 -","- C20 H25 N5 O11 -","- C80 H100 N20 O44 -","4","1","QA0045","Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A.","6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","IUC9800031","","10.1107/S0108270198099521","","","0.7107","MolybdenumKα","","0.118","0.0522","","","","0.115","","","","","","0.923","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007477","15.311","0.001","11.41","0.001","14.561","0.001","90","","90","","90","","2543.8","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","the cholic acid methanol-water inclusion complex","","- C25 H46 O7 -","- C25 H46 O7 -","- C100 H184 O28 -","4","1","QB0013","Volkov, Anatoly; Huizhe, Zhu; Shuncheng, Liu; White, Mark A.; Coppens, Philip","The Cholic Acid-Methanol-Water Inclusion Complex","Acta Crystallographica Section C","1998","54","7","IUC9800026","","10.1107/S0108270198099569","","","0.71073","MoKα","","0.0551","0.0534","","","","0.1485","","","","","","1.063","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007478","8.995","0.002","11.35","0.004","9.724","0.003","90","","97.69","0.03","90","","983.8","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sodium Hexacyanoferrate(II) Decahydrate","","","- C6 H20 Fe N6 Na4 O10 -","- C12 H40 Fe2 N12 Na8 O20 -","- C12 H40 Fe2 N12 Na8 O20 -","1","0.25","QB0040","Longridge, John J.; Rawson, Jeremy M.; Davies, John E.","Tetrasodium Hexacyanoferrate(II) Decahydrate","Acta Crystallographica Section C","1998","54","7","IUC9800028","","10.1107/S0108270198099582","","","0.71069","MoKα","","0.0564","0.0549","","","","0.1605","","","","","","1.141","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007479","10.465","0.002","11.418","0.002","12.705","0.003","90","","110.94","0.03","90","","1417.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzoyloxy)methyl-2,2-dichloro-3,3-dimethylcyclobutanone","","- C14 H14 Cl2 O3 -","- C14 H14 Cl2 O3 -","- C56 H56 Cl8 O12 -","4","1","QB0048","Lee-Ruff, Edward; Ramnauth, Jailall","3,3-Dichloro-4,4-dimethyl-2-oxocyclobut-1-yl Benzoate","Acta Crystallographica Section C","1998","54","7","IUC9800029","","10.1107/S0108270198099545","","","0.71073","MoKα","","0.048","0.037","","","","0.096","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007480","7.406","0.001","12.386","0.002","12.409","0.003","105.9","0.02","101.6","0.02","91.27","0.02","1068.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Lead(II)bis(2-fluorobenzoato)-bis(thiourea)monohydrate","(catena-(bis(μ-thiourea-S,S)-2-fluorobenzoato)-lead(II)) 2-fluorobenzoate - water (1/1)","","- C16 H18 F2 N4 O5 Pb S2 -","- C16 H18 F2 N4 O5 Pb S2 -","- C32 H36 F4 N8 O10 Pb2 S4 -","2","1","QC0003","Ragan, Colman; Jai-nhuknan, Jaran; Hughes, John M.; Cantrell, Joseph S.","Poly[[(2-fluorobenzoato)lead(II)-di-μ-thiourea-<i>S</i>:<i>S</i>] 2-Fluorobenzoate Monohydrate]","Acta Crystallographica Section C","1998","54","7","IUC9800032","","10.1107/S0108270198099570","","","0.71069","MoKα","","0.042","0.035","","0.08","0.076","","","","0.997","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007481","9.755","0.002","7.43","0.002","11.255","0.002","90","","99.8","0.1","90","","803.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methanediyl bis(N,N-diethyldithiocarbamate).","","- C11 H22 N2 S4 -","- C11 H22 N2 S4 -","- C22 H44 N4 S8 -","2","1","SK1097","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","A New Bis(dithioester): Methanediyl Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamate), Derived from <i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1998","54","7","1040","1042","10.1107/S0108270198000924","","","0.71073","MoKα","","0.051","0.029","","0.076","0.069","","","","0.975","1.01","1.01","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007482","10.435","0.002","7.312","0.003","14.596","0.002","90","","101.29","0.02","90","","1092.1","0.5","292","","292","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(urea)magnesium chlorate","","- C6 H24 Cl2 Mg N12 O12 -","- C6 H24 Cl2 Mg N12 O12 -","- C12 H48 Cl4 Mg2 N24 O24 -","2","0.5","SK1132","Todorov, Todor; Petrova, Rosica; Kossev, Krasimir; Macíček, Josef; Angelova, Olyana","Hexakis(urea-<i>O</i>)magnesium Dichlorate","Acta Crystallographica Section C","1998","54","7","927","929","10.1107/S0108270197018167","","","0.71073","MoKα","","","0.04","","","","0.048","","","","","","0.726","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007483","18.267","0.003","12.122","0.002","27.522","0.004","90","","108.26","0.02","90","","5787.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 P2 S15 Sb2 -","- C48 H40 P2 S15 Sb2 -","- C192 H160 P8 S60 Sb8 -","4","0.5","SK1145","Rijnberk, Herme; Näther, Christian; Schur, Michael; Jeß, Inke; Bensch, Wolfgang","[Ph~4~P]~2~[Sb~2~S~15~]","Acta Crystallographica Section C","1998","54","7","920","923","10.1107/S0108270198001188","","","0.71073","MoKα","","0.0465","0.0257","","0.0629","0.0577","","","","1.022","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007484","9.627","0.002","11.119","0.002","9.562","0.002","90","","90","","90","","1023.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Trirubidium niobium tetrasulfide","","","- Nb Rb3 S4 -","- Nb Rb3 S4 -","- Nb4 Rb12 S16 -","4","0.5","SK1159","Krause, Oliver; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","Trirubidium Tetrathioniobate","Acta Crystallographica Section C","1998","54","7","902","904","10.1107/S0108270198001723","","","0.71073","MoKα","","0.0539","0.0292","","0.0748","0.0677","","","","1.016","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007485","18.618","0.002","18.618","0.002","18.618","0.002","118.34","0.01","118.34","0.01","118.34","0.01","2141","4","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","2-(4-nitroanilino)-phenethylalcohol","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C84 H84 N12 O18 -","6","1","SK1162","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","2-(4-Nitroanilino)-2-phenylethanol","Acta Crystallographica Section C","1998","54","7","955","957","10.1107/S0108270198001826","","","0.71073","MoKα","","0.1029","0.0446","","0.1246","0.1092","","","","0.798","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007486","9.68","0.003","17.611","0.004","10.076","0.002","90","","116.96","0.02","90","","1531","0.7","178","2","178","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-Cyclopentane-1,2-diyl-bis[(4'S,5'S)-4',5'-diisopropoxycarbonyl- 1'3',2'-dioxaphospholane]","","- C25 H40 O12 P2 -","- C25 H40 O12 P2 -","- C50 H80 O24 P4 -","2","1","SK1170","Dahlenburg, Lutz; Kaunert, Anja","Chiral Bisphosphanes. IV. Tetraisopropyl 2,2'-[(1<i>R</i>,2<i>R</i>)-Cyclopentane-1,2-diyl]bis[(4<i>S</i>,5<i>S</i>)-1,3,2-dioxaphospholane-4,5-dicarboxylate]","Acta Crystallographica Section C","1998","54","7","1016","1017","10.1107/S010827019800119X","","","0.71069","MoKα","","0.0587","0.0526","","0.1414","","0.1399","","","1.051","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007487","9.9216","0.0006","11.2148","0.0006","12.1991","0.0007","90","","105.558","0.005","90","","1307.64","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(dichlorodimethyltin^.^3-methyl-4-nitropyridine N-oxide)","","- C8 H12 Cl2 N2 O3 Sn -","- C8 H12 Cl2 N2 O3 Sn -","- C32 H48 Cl8 N8 O12 Sn4 -","4","1","SK1174","Lim, Hock Chuan; Ng, Seik Weng","Di-μ-chloro-bis[chlorodimethyl(3-methyl-4-nitropyridine <i>N</i>-oxide-<i>O</i>)tin]","Acta Crystallographica Section C","1998","54","7","939","941","10.1107/S0108270198001735","","","0.71073","MoKα","","0.0381","0.0255","","0.0633","0.0585","","","","1.009","1.045","1.045","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007488","12.8011","0.0002","9.6258","0.0002","19.4453","0.0002","90","","92.882","0.001","90","","2393.04","0.07","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 -","- C12 H10 Cl2 N2 -","- C96 H80 Cl16 N16 -","8","2","SK1176","Benchat, Nour-Eddine; Taoufik, Jamal; Essassi, El-Mokhtar; Ramdani, Abdelkrim; El-Bali, Brahim; Bolte, Michael","6-Chloro-4-(<i>o</i>-chlorobenzyl)-3-methylpyridazine at 173K","Acta Crystallographica Section C","1998","54","7","964","966","10.1107/S0108270198001838","","","0.71073","MoKα","","0.0465","0.034","","0.081","0.0753","0.081","","","1.052","","","1.052","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007489","8.5961","0.0003","10.367","0.0006","16.506","0.001","90","","98.76","0.01","90","","1453.79","0.14","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","SX1044","Garcia, J. Gabriel; Haas, Julia; Rodriguez, Augusto; Fronczek, Frank R.","9-Hydroxy-9-(3-methylbut-3-en-1-ynyl)-9<i>H</i>-fluorene-1-carbonitrile","Acta Crystallographica Section C","1998","54","7","952","954","10.1107/S010827019701771X","","","1.54184","CuKα","","","0.038","","","0.051","","","","","2.58","2.58","","","","","has coordinates,has disorder,has Fobs","192029","2020-10-21","18:00:00",""
"2007490","9.226","0.001","15.164","0.002","18.868","0.002","90","","99.03","0.01","90","","2607","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2,2'-iminodipyridinium(1+)] bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3-)]bis[aquadibutyltin(IV)] dihydrate","","- C25 H34 N4 O7 Sn -","- C25 H34 N4 O7 Sn -","- C100 H136 N16 O28 Sn4 -","4","1","TA1200","Ng, Seik Weng","Bis[2,2'-iminodipyridinium(1+)] Bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3 ‒)]bis[aquadibutyltin(IV)] Dihydrate","Acta Crystallographica Section C","1998","54","7","914","916","10.1107/S0108270198001322","","","0.71073","MoKα","","0.04","0.028","","0.072","0.067","","","","1.002","1.04","1.04","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007491","14.354","0.005","13.594","0.004","17.501","0.003","90","","91.29","0.02","90","","3414.1","1.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BistriphenylphosphineoxidetinIIchloride","","","- C36 H30 Cl2 O2 P2 Sn -","- C36 H30 Cl2 O2 P2 Sn -","- C144 H120 Cl8 O8 P8 Sn4 -","4","1","VJ1080","Selvaraju, R.; Panchanatheswaran, K.; Parthasarathi, V.","Dichlorobis(triphenylphosphine oxide)tin(II)","Acta Crystallographica Section C","1998","54","7","905","906","10.1107/S0108270198000328","","","0.71069","MoKα","","0.063","0.04","","0.077","0.072","","","","1.218","1.317","1.317","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007492","9.3938","0.0008","9.3938","0.0008","6.9013","0.0005","90","","90","","120","","527.4","0.07","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","britholite","","","- Ca9 F1.5 Nd O24.25 P5 Si -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","1","0.0833333","","Laurent Boyer; Jean-Michel Savariault; Joëlle Carpena; Jean-Louis Lacout","Neodymium-Substituted Britholite Compound","Acta Crystallographica Section C","1998","54","","1057","1059","","","","","","","","0.0346","","","0.0924","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007493","9.255","0.001","12.524","0.002","13.538","0.002","90","","104.32","0.01","90","","1520.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Br2 Cu N2 O2 -","- C36 H26 Br2 Cu N2 O2 -","- C72 H52 Br4 Cu2 N4 O4 -","2","0.5","AB1532","Elerman, Yalc̨in; Elmali, Ayhan; Özbey, Süheyla","Bis[<i>N</i>-(2-bromo-4-methylphenyl)naphthaldiminato]copper(II)","Acta Crystallographica Section C","1998","54","8","1072","1074","10.1107/S0108270198003345","","","0.71069","MoKα","","0.098","0.056","","0.097","0.09","","","","1.208","1.387","1.387","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007494","6.235","0.009","13.137","0.01","25.73","0.03","88.05","0.09","86.38","0.1","84.5","0.09","2093","4","293","2","293","2","","","","","","","","3","P 1","P 1","1","Seychellogenin","3β-Hydroxy-20(S)-Holost-7,9-dien","","- C31 H48.67 O3.67 -","- C31 H48.6667 O3.66667 -","- C93 H146 O11 -","3","3","AV1012","Ilyin, Sergey G.; Antonov, Alexander S.; Stonik, Valentine A.; Antipin, Michael Yu.; Elyakov, Georgy B.","(20<i>S</i>)-3β-Hydroxyholosta-7,9-diene","Acta Crystallographica Section C","1998","54","8","1156","1158","10.1107/S0108270198001966","","","0.71069","MoKα","","0.1888","0.0843","","0.1256","0.1208","","","","1.829","2.484","2.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007495","14.766","0.002","24.223","0.005","9.239","0.001","94.74","0.01","96.72","0.01","87.19","0.01","3268.1","0.9","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H68 Mn2 O12 -","- C80 H68 Mn2 O12 -","- C160 H136 Mn4 O24 -","2","1","BK1373","Yaukey, Tammy S.; Steward, Omar W.; Chang, Shih-Chi","Manganese(II) Triphenylacetate Hydrate, a Manganese(II) Complex with a Chain Structure","Acta Crystallographica Section C","1998","54","8","1081","1083","10.1107/S0108270198003126","","","0.7107","MoKα","","","0.048","","","0.052","","","","","1.94","1.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007496","13.558","0.004","7.051","0.002","15.482","0.004","90","","90.42","0.02","90","","1480","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(1,10-phenanthrolyne-N,N')(μ-thiosulfato-S,O) cadmium(II)), hydrate.","","- C12 H12 Cd N2 O5 S2 -","- C12 H12 Cd N2 O5 S2 -","- C48 H48 Cd4 N8 O20 S8 -","4","1","BK1378","Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Aqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(μ~3~-thiosulfato-<i>S</i>:<i>S</i>:<i>O</i>)cadmium(II) Hydrate","Acta Crystallographica Section C","1998","54","8","1099","1102","10.1107/S0108270198003138","","","0.71073","MoKα","","0.084","0.041","","","","0.072","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007497","11.642","0.002","33.225","0.003","16.312","0.004","90","","93.21","0.02","90","","6300","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[7,11- or 7,8-(μ-thiobenzoate-S:O)-7-(triphenylphosphine-P)-8,9:10,11-di- μH-7-platina-nido-undecaborane] 0.5-dichloromethane","","- C25.5 H32 B10 Cl O P Pt S -","- C25.5 H27 B10 Cl O P Pt S -","- C204 H216 B80 Cl8 O8 P8 Pt8 S8 -","8","2","BM1188","Chun-Hua Hu; Jian-Min Dou; Jie Sun; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Pei-Ju Zheng","Exopolyhedral Cyclized Platinaundecaboranes: [(PPh~3~)(PhCOS)PtB~10~H~11~].0.5CH~2~Cl~2~","Acta Crystallographica Section C","1998","54","8","1089","1091","10.1107/S010827019800290X","","","0.71073","MoKα","","0.121","0.076","","","","0.258","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007498","8.108","0.005","5.345","0.001","16.68","0.011","90","","94.16","0.03","90","","721","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 S2 -","- C14 H14 N4 S2 -","- C28 H28 N8 S4 -","2","0.5","BM1197","Bermejo, Elena; Carballo, Rosa; Castiñeiras, Alfonso; Maichle-Mössmer, Cäcilia","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)dithiooxamide","Acta Crystallographica Section C","1998","54","8","1130","1131","10.1107/S0108270198002510","","","1.54184","CuKα","","0.104","0.052","","","","0.146","","","","","","1.027","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007499","8.972","0.001","8.972","0.001","34.15","0.02","90","","90","","120","","2380.7","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Kemp's acid-acrylonitrile","(1α,3α,5α)-1,3,5-trimethyl-1,3,5-cyclohexanetricarboxylic acid-acetonitrile","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C84 H126 N6 O36 -","6","0.333333","BM1202","Hirose, Takuji; Baldwin, Bruce W.; Wang, Zhen-He; Kennard, Colin H. L.","(1α,3α,5α)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic Acid Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","8","1143","1144","10.1107/S0108270198001024","","","0.71073","MoKα","","0.08","0.05","","","","0.152","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007500","10.128","0.002","10.599","0.002","12.784","0.004","86.75","0.02","86.35","0.02","79.079","0.009","1343.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Iodo (1,10-Phenathroline-N,N')(Triphenylphosphine) Copper(I)","","- C30 H23 Cu I N2 P -","- C30 H23 Cu I N2 P -","- C60 H46 Cu2 I2 N4 P2 -","2","1","BM1209","Jin, Qiong-Hua; Xin, Xiu-Lan; Dong, Cheng-Jun; Zhu, Hui-Ju","Iodo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)","Acta Crystallographica Section C","1998","54","8","1087","1089","10.1107/S0108270198001991","","","0.71073","MoKα","","","0.0312","","","","0.0843","","","","","","1.117","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007501","11.0341","0.0008","11.0341","0.0008","62.874","0.009","90","","90","","120","","6629.4","1.2","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","β-dihydroentandrophragmin","","","- C44.42 H60.84 O17.71 -","- C44.42 H60.84 O17.71 -","- C266.52 H365.04 O106.26 -","6","1","BM1227","Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon","β-Dihydroentandrophragmin‒Ethyl Acetate (1/0.355)","Acta Crystallographica Section C","1998","54","8","1182","1184","10.1107/S0108270198006076","","","1.54184","CuKα","","0.093","0.075","","","","0.21","","","","","","1.043","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007502","6.4542","0.0014","12.388","0.003","13.501","0.003","90","","93.2","0.02","90","","1077.8","0.4","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Benzo[g]imidazo[1,2-a]-2,3,5,6,7,8-hexahydro-quinazoline","","- C14 H13 N3 -","- C14 H13 N3 -","- C56 H52 N12 -","4","1","BM1232","Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Jones, Peter G.","1,2,3,4-Tetrahydrobenzimidazo[2,1-<i>b</i>]quinazoline","Acta Crystallographica Section C","1998","54","8","1109","1111","10.1107/S0108270198003278","","","0.71073","MoKα","","0.083","0.051","","0.126","0.109","","","","1.047","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007503","8.105","0.004","9.292","0.004","10.283","0.004","109.67","0.03","102.76","0.03","107.14","0.02","651.3","0.5","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C34 H30 N6 -","2","1","","Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G.","2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile","Acta Crystallographica Section C","1998","54","","1107","1109","","","","","","","","0.055","","","0.096","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007504","8.5161","0.0004","10.039","0.0004","7.5138","0.0003","90","","95.372","0.003","90","","639.56","0.05","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","calcium iodate monohydrate","calcium iodate monohydrate","","- Ca D2 I O7 -","- Ca D2.01 I2 O7 -","- Ca4 D8.04 I8 O28 -","4","1","BR1201","Peter, Stefan; Suchanek, Ellen; Roisnel, Thierry; Lutz, Heinz Dieter","Neutron Powder Diffraction Study on Highly Deuterated Ca(IO~3~)~2~.D~2~O","Acta Crystallographica Section C","1998","54","8","1064","1066","10.1107/S010827019800167X","","neutron","1.2272","neutron","","0.039","","","","","","","","1.3","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007505","9.384","0.002","9.182","0.002","10.997","0.003","90","","90","","90","","947.5","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Sodium managanese tellurate","","","- Mn4 Na3 O12 Te2 -","- Mn4 Na3 O12 Te2 -","- Mn16 Na12 O48 Te8 -","4","0.5","BR1203","Feger, Christopher R.; Kolis, Joseph W.","Na~3~Mn~4~Te~2~O~12~","Acta Crystallographica Section C","1998","54","8","1055","1057","10.1107/S0108270197020076","","","0.71073","MoKα","","0.068","0.048","","0.05","0.049","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007506","9.2892","0.0006","9.0724","0.0005","9.5328","0.0012","90","","96.15","0.006","90","","798.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 O7 P -","- C6 H9 O7 P -","- C24 H36 O28 P4 -","4","1","CF1164","Neidle, Stephen; Gaffney, Piers R.J.; Reese, Colin B.","<i>myo</i>-Inositol 1,3,5-Bicyclic Phosphate","Acta Crystallographica Section C","1998","54","8","1191","1192","10.1107/S0108270197017435","","","0.7107","MoKα","","0.0457","0.0387","","0.0978","0.0927","","","","0.576","0.609","0.609","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007507","7.654","0.001","11.282","0.002","29.404","0.004","90","","90","","90","","2539.1","0.7","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C112 H96 N16 O16 S8 -","8","1","CF1230","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard","10-Ethyl-3-nitrophenothiazine","Acta Crystallographica Section C","1998","54","8","1151","1152","10.1107/S0108270198002522","","","0.71073","MoKα","","0.041","0.039","","0.082","0.081","","","","0.992","1.181","1.181","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007508","34.201","0.005","5.219","0.002","23.179","0.004","90","","98.57","0.05","90","","4091.1","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O5 S3 -","- C19 H19 N O5 S3 -","- C152 H152 N8 O40 S24 -","8","1","CF1236","TranQui, Duc; Fresneau, Pierre; Cussac, Max","(<i>Z</i>)-5-(1-Methoxy-2-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1998","54","8","1152","1154","10.1107/S0108270198003096","","","0.71073","MoKα","","0.055","0.054","","0.121","0.118","","","","1.128","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007509","10.819","0.003","4.936","0.001","23.671","0.007","90","","91.34","0.02","90","","1263.7","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","0.5","CF1237","Elerman, Yalc̨in; Elmali, Ayhan; Svoboda, Ingrid; Fuess, Hartmut","Bis(<i>N</i>-<i>n</i>-butyl-2-hydroxy-1-naphthaldiminato)nickel(II)","Acta Crystallographica Section C","1998","54","8","1076","1078","10.1107/S0108270198002534","","","0.71069","MoKα","","0.135","0.048","","0.162","0.128","","","","1.006","1.124","1.124","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007510","7.9188","0.0014","15.01","0.003","13.422","0.002","90","","101.064","0.003","90","","1565.7","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2',4'-dihydroxy-2-[3""-(4""'-methylphenyl)isoxazol-5""-yl]acetophenone","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","CF1247","Kumar, Naresh; Roy, Sucharita; Parmar, Virinder S.; Errington, William","2',4'-Dihydroxy-2-[3-(4-methylphenyl)isoxazol-5-yl]acetophenone","Acta Crystallographica Section C","1998","54","8","1123","1125","10.1107/S0108270198003102","","","0.71073","MoKα","","0.073","0.043","","","","0.111","","","","","","0.99","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007511","5.4965","0.0002","5.4965","0.0002","11.137","0.001","90","","90","","90","","336.47","0.03","296","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C H2 N4 O -","- C H2 N4 O -","- C4 H8 N16 O4 -","4","0.5","DA1003","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki","1<i>H</i>-Tetrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1998","54","8","1160","1162","10.1107/S0108270198002108","","","0.7107","MoKα","","","0.028","","","","0.04","","","","","","1.36","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007512","8.89","0.002","19.392","0.002","8.704","0.002","90","","118.48","0.02","90","","1318.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5,5-diphenyl-2-thiohydantoin","5,5-diphenyl-2-thioimidazolidine-4-one","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","FG1365","Roszak, Aleksander W.; Weaver, Donald F.","5,5-Diphenyl-2-thiohydantoin","Acta Crystallographica Section C","1998","54","8","1168","1170","10.1107/S0108270197019963","","","0.71069","MoKα","","0.057","0.035","","0.112","0.095","","","","1.105","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007513","11.715","0.002","11.385","0.005","16.071","0.003","90","","104.57","0.01","90","","2074.5","1.1","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I)","","- C21 H20 O6 P Rh -","- C21 H20 O6 P Rh -","- C84 H80 O24 P4 Rh4 -","4","1","FG1391","Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1998","54","8","1085","1087","10.1107/S0108270198002388","","","0.7107","MoKα","","0.069","0.052","","","","0.187","","","","","","1.175","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007514","8.8847","0.0006","10.483","0.001","11.6776","0.0013","90","","108.375","0.008","90","","1032.18","0.17","293","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","racemic atrolactamidinium chloride","Racemic 2-Hydroxy-2-phenyl-propanamidinium chloride","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","FG1392","Barnes, John C.; Weakley, Timothy J.R.","Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate","Acta Crystallographica Section C","1998","54","8","1170","1173","10.1107/S010827019800239X","","","0.71073","MoKα","","0.062","0.054","","","","0.155","","","","","","1.823","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007515","7.3793","0.0009","12.917","0.004","10.2713","0.0013","90","","109.407","0.011","90","","923.4","0.3","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-hydroxy-2-phenylbutanamidinium (R)-mandelate","(S)-2-Hydroxy-2-phenylbutanamidinium (R)-2-Hydroxy-2-phenylethanoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","FG1392","Barnes, John C.; Weakley, Timothy J.R.","Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate","Acta Crystallographica Section C","1998","54","8","1170","1173","10.1107/S010827019800239X","","","0.71073","MoKα","","0.059","0.037","","","","0.107","","","","","","1.111","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007516","8.6388","0.0008","12.9233","0.0011","11.13","0.0013","90","","90","","90","","1242.6","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H13 N5 S2 Zn -","- C6 H13 N5 S2 Zn -","- C24 H52 N20 S8 Zn4 -","4","0.5","FG1401","Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua","(Diethylenetriamine)bis(isothiocyanato)zinc(II)","Acta Crystallographica Section C","1998","54","8","1067","1068","10.1107/S0108270198002753","","","0.7107","MoKα","","0.055","0.039","","0.098","0.095","","","","1.071","1.173","1.173","","","","","has coordinates,has disorder,has Fobs","203567","2020-10-21","18:00:00",""
"2007517","10.9634","0.0008","11.1491","0.0008","13.2319","0.001","114.161","0.006","95.894","0.004","92.468","0.006","1461.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[μ-(4,7-η:16,19-η)-5,24:6,11:12,17:18,23-tetra[1,2]benzeno- tetrabenzo[a,e,i,m]cyclohexadecene]bis{aqua[(2,3-η)toluene]silver(I)} bis(trifluoromethanesulfonate)","","- C72 H52 Ag2 F6 O8 S2 -","- C72 H52 Ag2 F6 O8 S2 -","- C72 H52 Ag2 F6 O8 S2 -","1","0.5","FG1410","Kammermeier, Stefan; Jones, Peter G.; Dix, Ina; Herges, Rainer","A Silver(I) Complex of a Tube-Shaped Hydrocarbon","Acta Crystallographica Section C","1998","54","8","1078","1081","10.1107/S0108270198002406","","","0.71073","MoKα","","0.044","0.034","","0.08","0.077","","","","1.051","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007518","6.4046","0.0009","5.255","0.0008","27.634","0.003","90","","92.111","0.008","90","","929.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(+/-)-α-Tetralonecarboxylic Acid","(+/-)-4-Oxo-1,2,3,4-tetrahydronapthalene-1-carboxylic Acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1433","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(±)-4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid: Hydrogen Bonding and Carboxyl Disordering in a δ-Keto Acid","Acta Crystallographica Section C","1998","54","8","1180","1182","10.1107/S0108270198002765","","","0.71073","MoKα","","0.074","0.041","","0.108","0.091","","","","1.03","1.1","1.1","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007519","12.5595","0.0003","18.7907","0.0007","10.375","0.002","90","","90","","90","","2448.5","0.5","180","","180","","","","","","","","","3","P n a 21","P 2c -2n","33","","(RS,RS)-1,2-(1-Dinaphthyl)-1,2-diphenyl-ethan-1,2-diol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.072","0.044","","","","0.113","","","1.3","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007520","11.072","0.002","11.4926","0.0003","18.9075","0.0007","90","","90","","90","","2405.9","0.4","180","","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(1-naphthyl)-3,5-diphenyl-4-oxa- tricyclo[7.4.0.0^2,6^]trideca-7,9,11,13-tetraen-3-ol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.076","0.048","","","","0.121","","","1.16","","","1.16","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007521","11.832","0.001","14.216","0.002","16.649","0.003","90","","90","","90","","2800.4","0.7","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3α-Bikhaconine","","","- C28 H47 N O9 -","- C28 H47 N O9 -","- C112 H188 N4 O36 -","4","1","FG1439","Parvez, Masood; Gul, Waseem; Anwar, Saeed","3α-Bikhaconine Acetone Solvate","Acta Crystallographica Section C","1998","54","8","1139","1141","10.1107/S0108270198002546","","","1.54178","CuKα","","0.059","0.057","","","","0.149","","","","","","1.064","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007522","8.544","0.002","13.164","0.0013","16.8094","0.0019","90","","90","","90","","1890.6","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","","- C16 H25 Br Hg O5 -","- C16 H25 Br Hg O5 -","- C64 H100 Br4 Hg4 O20 -","4","1","FG1440","Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","Acta Crystallographica Section C","1998","54","8","1091","1093","10.1107/S0108270198002418","","","0.71073","MoKα","","0.033","0.025","","","","0.051","","","","","","0.996","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007523","9.0116","0.0017","12.073","0.003","8.4305","0.0018","104.542","0.019","96.133","0.017","86.504","0.018","882.2","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","sp-9-[o-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene","","- C23 H21 Cl -","- C23 H21 Cl -","- C46 H42 Cl2 -","2","1","FG1442","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>sp</i>-9-[<i>o</i>-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene: an Unanticipated Exclusive Product from the Reaction of <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol with Thionyl Chloride","Acta Crystallographica Section C","1998","54","8","1173","1175","10.1107/S0108270198002911","","","0.71069","MoKα","","0.069","0.035","","","","0.094","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007524","8.519","0.002","9.315","0.002","13.429","0.003","90","","90","","90","","1065.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","FR1088","Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas","(7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one","Acta Crystallographica Section C","1998","54","8","1162","1164","10.1107/S0108270197019586","","","0.71073","MoKα","","0.045","0.038","","0.078","0.074","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007525","6.771","0.001","8.63","0.004","9.88","0.003","103.88","0.02","102.8","0.02","100.14","0.03","530.3","0.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","8-aminoquinolinium chloride dihydrate","","- C9 H13 Cl N2 O2 -","- C9 H13 Cl N2 O2 -","- C18 H26 Cl2 N4 O4 -","2","1","FR1092","Barry J. Prince; Mark M. Turnbull","8-Aminoquinolinium Chloride Dihydrate","Acta Crystallographica Section C","1998","54","8","1178","1180","10.1107/S0108270198002133","","","0.71073","MoKα","","0.048","0.04","","0.115","0.112","","","","1.036","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007526","7.161","0.0001","9.445","0.002","12.479","0.003","80.63","0.002","72.441","0.003","83.272","0.002","791.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C34 H38 Cl2 N4 O2 -","2","1","FR1105","Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz","3-<i>tert</i>-Butyl-2'-chloro-2-hydroxy-5-methylazobenzene","Acta Crystallographica Section C","1998","54","8","1145","1146","10.1107/S0108270198002923","","","0.71069","MoKα","","0.074","0.055","","0.14","0.131","","","","1.097","1.195","1.195","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007527","13.047","0.0002","13.3683","0.0001","21.467","0.0003","90","","90","","90","","3744.19","0.08","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Adamantyl dithiete","3,4‒Bis(1‒adamantyl)‒1,2‒dithiete","","- C22 H30 S2 -","- C22 H30 S2 -","- C176 H240 S16 -","8","2","FR1112","Donahue, James P.; Holm, Richard H.","3,4-Bis(1-adamantyl)-1,2-dithiete: the First Structurally Characterized Dithiete Unsupported by a Ring or Benzenoid Frame","Acta Crystallographica Section C","1998","54","8","1175","1178","10.1107/S0108270198002935","","","0.71073","MoKα","","0.065","0.045","","0.105","0.094","","","","1.014","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007528","17.218","0.002","8.121","0.002","19.301","0.001","90","","91.264","0.007","90","","2698.2","0.7","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","ortho-(1-naphthoyl)benzoic acid","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","FR1119","Gerkin, Roger E.","<i>ortho</i>-(1-Naphthoyl)benzoic Acid","Acta Crystallographica Section C","1998","54","8","1184","1186","10.1107/S0108270198002868","","","0.71073","MoKα","","","","","","","0.06","","","","","","1.67","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007529","11.591","0.001","10.891","0.001","10.903","0.001","90","","118","0.02","90","","1215.3","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclopropylcarboximidamide Hydrochloride","","- C4 H9 Cl N2 -","- C4 H9 Cl N2 -","- C32 H72 Cl8 N16 -","8","1","HA1206","Barker, James; Powell, Harold R.","Cyclopropylcarboxamidinium Chloride","Acta Crystallographica Section C","1998","54","8","1189","1191","10.1107/S0108270197018829","","","0.71073","MoKα","","","0.052","","","0.053","","","","","1.098","1.098","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007530","4.2308","0.0003","14.2071","0.0009","7.0308","0.0005","90","","101.961","0.001","90","","413.43","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dibromo-4-nitroaniline","2,6-dibromo-4-nitroaniline","","- C6 H4 Br2 N2 O2 -","- C6 H4 Br2 N2 O2 -","- C12 H8 Br4 N4 O4 -","2","0.5","HA1207","Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","2,6-Dibromo-4-nitroaniline","Acta Crystallographica Section C","1998","54","8","1113","1115","10.1107/S0108270198001814","","","0.71073","MoKα","","0.0666","0.0588","","0.1477","0.1459","","","","0.994","1.145","1.145","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007531","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H24 N2 Ni O2 -","- C184 H192 N16 Ni8 O16 -","8","1","JZ1238","Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut","Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 ‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","8","1075","1076","10.1107/S0108270198005228","","","0.71069","MoKα","","0.133","0.037","","0.113","0.084","","","","1.007","1.082","1.082","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007532","6.981","0.002","8.334","0.001","8.924","0.001","90","","112.32","0.02","90","","480.3","0.17","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co O7 P2 Zn -","- Co O7 P2 Zn -","- Co4 O28 P8 Zn4 -","4","1","JZ1256","Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.","A Mixed Zinc‒Cobalt Diphosphate, ZnCoP~2~O~7~","Acta Crystallographica Section C","1998","54","8","1059","1062","10.1107/S0108270198002820","","","0.71073","Mo_Kα","","0.048","0.041","","","0.064","","","","","2.011","2.011","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007533","12.302","0.008","7.461","0.004","11.203","0.008","90","","101.7","0.05","90","","1006.9","1.1","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","η-cyclopentadienyl-1,2,5,6-η-cyclooctatetraenecobalt'","","- C13 H13 Co -","- C13 H13 Co -","- C52 H52 Co4 -","4","1","JZ1269","Hubert Wadepohl; Rüdiger Merkel; Hans Pritzkow","[(1,2,5,6-η)-Cyclooctatetraene](η^5^-cyclopentadienyl)cobalt","Acta Crystallographica Section C","1998","54","8","1095","1097","10.1107/S0108270198002078","","","0.7107","MoKα","","0.0664","0.0402","","","","0.1042","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007534","9.783","0.002","11.91","0.001","10.395","0.002","90","","99.11","0.01","90","","1195.9","0.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-3-Phenyl-2-[(2S,4S)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl] cyclopentanone","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","JZ1271","Berger, Bernd; Bolte, Michael","(2<i>R</i>,3<i>S</i>)-3-Phenyl-2-[(2<i>S</i>,4<i>S</i>)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl]cyclopentanone","Acta Crystallographica Section C","1998","54","8","1106","1107","10.1107/S0108270198002169","","","1.5418","CuKα","","0.032","0.032","","0.086","0.086","","","","1.071","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007535","15.1015","0.0001","9.9128","0.0001","16.3279","0.0002","90","","92.359","0.001","90","","2442.19","0.04","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","24,27-diaza-3,6,9,12,15,18-hexaoxa tricyclo [24.4.0.0^20,25^] triaconta-1(26),20,22,24,27,29-hexaene dichloro palladium (II)","","- C22 H30 Cl2 N2 O6 Pd -","- C22 H30 Cl2 N2 O6 Pd -","- C88 H120 Cl8 N8 O24 Pd4 -","4","1","JZ1272","Luis, Santiago V.; Frías, Juan C.; Burguete, M. Isabel; Bolte, Michael","Organization of the Cavity in a Bipyridyl Crown Ether Through Coordination with PdCl~2~","Acta Crystallographica Section C","1998","54","8","1093","1095","10.1107/S0108270198002558","","","0.71073","MoKα","","0.033","0.027","","","","0.067","","","","","","1.138","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007536","8.229","0.003","11.522","0.003","14.43","0.004","66.33","0.02","79.23","0.02","70.08","0.02","1176.1","0.7","298","","294","","","","","","","","","3","P -1","-P 1","2","","9,10-dihydro-1,4-dimethoxy-5,8-dimethyl-cis-9,10-diphenyl- 9,10-anthracenediol","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","JZ1274","Krieger, Claus; Wartini, Alexander R.; Neugebauer, Franz A.","9,10-Dihydro-1,4-dimethoxy-5,8-dimethyl-<i>cis</i>-9,10-diphenyl-9,10-anthracenediol, a Crowded Planar 9,10-Dihydroanthracene","Acta Crystallographica Section C","1998","54","8","1125","1127","10.1107/S0108270198003187","","","0.71073","MoKα","","","0.068","","","0.056","","","","","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007537","9.095","0.001","15.624","0.001","18.372","0.001","90","","90","","90","","2610.7","0.4","291","1","291","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,1-Bis(3-dimethylamino-1,1-dimethylpropyl)-3,3,5,5-tetramethyl-2,4,6-trioxa- 3,5-disila-1-stannacyclohexane","","- C18 H44 N2 O3 Si2 Sn -","- C18 H44 N2 O3 Si2 Sn -","- C72 H176 N8 O12 Si8 Sn4 -","4","1","JZ1276","Nicole Pieper; Markus Schürmann; Klaus Jurkschat","6,6-Bis[3-(dimethylamino)-1,1-dimethylpropyl]-2,2,4,4-tetramethyl-1,3,5-trioxa-2,4-disila-6-stannacyclohexane","Acta Crystallographica Section C","1998","54","8","1097","1099","10.1107/S0108270198003199","","","0.71069","MoKα","","0.0458","0.0278","","0.0547","0.0509","","","","0.94","0.985","0.985","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007538","9.573","0.002","9.778","0.002","8.562","0.002","90","","97.49","0.03","90","","794.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ortho-fluorophenyl-thiourea","1-(2-Fluorophenyl)thiourea","","- C7 H7 F N2 S -","- C7 H7 F N2 S -","- C28 H28 F4 N8 S4 -","4","1","JZ1278","Steiner, Thomas","N—H···S and N-H···Ph Hydrogen Bonding in 1-(2-Fluorophenyl)thiourea","Acta Crystallographica Section C","1998","54","8","1121","1123","10.1107/S010827019800242X","","","0.71073","MoKα","","0.044","0.036","","0.1","0.092","","","","1.113","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007539","14.916","0.003","9.372","0.002","19.076","0.004","90","","107.64","0.01","90","","2541.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenformin","1-Phenethylbiguanide hydrochloride (Phenformin)","","- C10 H16 Cl N5 -","- C10 H16 Cl N5 -","- C80 H128 Cl8 N40 -","8","2","KA1267","Soriano-Lesh, Michelle Ann; Holt, Elizabeth M.; Aguirre García, Fermin; Soriano-García, Manuel","1-Phenethylguanidinium Chloride","Acta Crystallographica Section C","1998","54","8","1187","1189","10.1107/S0108270198003321","","","0.71073","MoKα","","0.155","0.071","","0.051","0.041","","","","1.053","1.339","1.339","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007540","6.1373","0.0006","8.979","0.002","13.3554","0.001","90","","96.88","0.005","90","","730.67","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C36 H28 Br2 N2 O2 -","2","1","KA1275","Elmali, Ayhan; Elerman, Yalc̨in; Kendi̇, Engin","<i>N</i>-(2-Bromo-4-methylphenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","8","1137","1139","10.1107/S0108270198002893","","","0.71069","MoKα","","0.07","0.044","","","","0.094","","","","","","1.254","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007541","15.33","0.001","11.829","0.002","11.631","0.002","90","","90.104","0.014","90","","2109.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Lead molybdenum oxide: Pb~5~MoO~8~","","- Mo O8 Pb5 -","- Mo O8 Pb5 -","- Mo8 O64 Pb40 -","8","2","NA1328","Vassilev, Peter; Nihtianova, Diana","Pb~5~O~4~MoO~4~","Acta Crystallographica Section C","1998","54","8","1062","1064","10.1107/S0108270198001000","","","0.71073","MoKα","","0.06","0.034","","0.1","","0.076","","","0.981","","","1.076","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007542","6.4494","0.0006","15","0.001","21.334","0.001","90","","90","","90","","2063.9","0.3","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-5-(2-Fluorophenyl)-1-methyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride","","- C22 H21 Cl F N3 O S -","- C22 H21 Cl F N3 O S -","- C88 H84 Cl4 F4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.046","0.045","","0.123","","0.123","","","1.069","","","1.069","","","","has coordinates,has disorder","200177","2020-10-21","18:00:00",""
"2007543","6.3344","0.0002","13.5131","0.0007","25.693","0.002","90","","90","","90","","2199.3","0.2","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1H- 1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O S -","- C23 H24 Cl N3 O S -","- C92 H96 Cl4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.057","0.048","","0.137","","0.137","","","1.042","","","1.042","","","","has coordinates,has disorder","200178","2020-10-21","18:00:00",""
"2007544","11.9932","0.0003","19.667","0.001","12.9428","0.0007","90","","117.471","0.004","90","","2708.6","0.2","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-(2S)-5-(4-Fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride Methyl isobutyl ketone solvate","","- C29 H33 Cl F N3 O1.5 -","- C29 H33 Cl F N3 O1.5 -","- C116 H132 Cl4 F4 N12 O6 -","4","2","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.038","0.037","","0.105","","0.105","","","1.084","","","1.084","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007545","11.15","0.002","11.232","0.002","12.176","0.003","65.67","0.02","84.14","0.02","65.641","0.013","1261.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-phenylthio-tetrakis(triethylphosphine)diplatinum(II) hexafluorophosphate","","- C36 H70 F12 P6 Pt2 S2 -","- C36 H70 F12 P6 Pt2 S2 -","- C36 H70 F12 P6 Pt2 S2 -","1","0.5","NA1346","Bruhn, Clemens; Becke, Steffi; Steinborn, Dirk","Di-μ-phenylthio-bis[bis(triethylphosphine-<i>P</i>)platinum(II)] Bis(hexafluorophosphate), [Pt~2~(μ-SPh)~2~(PEt~3~)~4~](PF~6~)~2~","Acta Crystallographica Section C","1998","54","8","1102","1103","10.1107/S0108270198001097","","","0.71073","MoKα","","0.0356","0.0316","","0.0883","0.0825","","","","1.071","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007546","6.524","0.001","7.412","0.001","16.875","0.003","90","","93.72","0.03","90","","814.3","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","1","NA1351","Kuhl, Alexander; Kornath, Andreas; Preut, Hans; Kreiser, Wolfgang","17β-Hydroxymethyl-3-methoxy-19,21-dinorestra-1,3,5(10)-trieno-18,20-lactone","Acta Crystallographica Section C","1998","54","8","1115","1117","10.1107/S0108270198003047","","","0.71069","MoKα","","0.099","0.042","","0.112","0.082","","","","0.856","0.923","0.923","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007547","7.2603","0.0012","9.4959","0.0007","14.0498","0.001","90.273","0.006","99.462","0.011","89.944","0.009","955.45","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 Cu N6 O7 -","- C14 H26 Cu N6 O7 -","- C28 H52 Cu2 N12 O14 -","2","1","OA1033","Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","[7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>](nitrato-κ<i>O</i>)copper(II) Nitrate Hydrate","Acta Crystallographica Section C","1998","54","8","1069","1070","10.1107/S0108270198002947","","","0.7107","MoKα","","0.033","0.033","","0.061","0.061","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007548","10.579","0.003","10.124","0.003","15.147","0.003","90","","90","","90","","1622.3","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R, 3R, 4R)- cis-4-acetamido-3-hydroxy-2-dimethoxymethyl-2-methyl- 6-nitro-3,4-dihydro-2H-1-benzopyran","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C60 H80 N8 O28 -","4","1","OA1040","Yoon, Tae-Sung; Yoo, Sung Eun; Shin, Whanchul","<i>N</i>-(2-Dimethoxymethyl-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2<i>H</i>-1-benzopyran-4-yl)acetamide","Acta Crystallographica Section C","1998","54","8","1146","1148","10.1107/S0108270198000250","","","0.7107","MoKα","","0.0913","0.047","","0.109","0.083","","","","1.08","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007549","8.9245","0.001","14.9611","0.001","15.7331","0.0013","90","","96.184","0.01","90","","2088.5","0.3","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 Cl Cu N5 O4 S -","- C15 H32 Cl Cu N5 O4 S -","- C60 H128 Cl4 Cu4 N20 O16 S4 -","4","1","OA1047","Lu, Tian-Huey; Shui, Wei-Ze; Tung, Shu-Fang; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","(Isothiocyanato-κ<i>N</i>)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) Perchlorate","Acta Crystallographica Section C","1998","54","8","1071","1072","10.1107/S0108270198001711","","","0.7107","MolybdenumKα","","0.041","0.041","","0.053","0.052","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007550","11.28","0.003","13.417","0.002","8.986","0.002","90","","90","","90","","1360","0.5","298","","","","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C16 H28 Cl3 Co N6 O16 -","- C16 H28 Cl2.5 Co0.5 N6 O16 -","- C32 H56 Cl5 Co N12 O32 -","2","0.5","OA1050","Hideaki Kanno; Shunji Utsuno; Junnosuke Fujita; Kinya Iijima","Absolute Configuration of (+)~589~-(4,4'-Dimethoxy-2,2'-bipyridine 1,1'-dioxide-<i>O</i>,<i>O</i>')bis(ethylene-diamine-<i>N</i>,<i>N</i>')cobalt(III) Triperchlorate","Acta Crystallographica Section C","1998","54","8","1083","1085","10.1107/S0108270198002959","","","0.71073","MoKα","","","0.056","","","","0.07","","","","","","1.433","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007551","11.898","0.003","29.39","0.005","11.634","0.002","90","","90","","90","","4068.2","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-15-hydroxycotylenol","9-Deoxy-15-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C168 H272 O32 -","8","2","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.083","0.061","","0.189","0.168","","","","1.055","1.067","1.067","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007552","12.703","0.003","17.141","0.003","9.203","0.001","90","","90","","90","","2003.9","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-19-hydroxycotylenol","9-Deoxy-19-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.066","0.06","","0.182","0.173","","","","1.067","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007553","7.392","0.002","8.965","0.006","14.925","0.004","90","","102.9","0.02","90","","964.1","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","OS1005","Byrne, Janice J.; Chavant, Pierre Y.; Averbuch-Pouchot, Marie-Thérèse; Vallée, Yannick","2,2'-Biphenol","Acta Crystallographica Section C","1998","54","8","1154","1156","10.1107/S0108270198002431","","","0.7107","MoKα","","0.042","0.042","","0.053","0.053","","","","1.768","1.768","1.768","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007554","6.4014","0.0011","9.2804","0.0012","13.606","0.002","90","","93.126","0.018","90","","807.1","0.2","293","2","293","2","","","","","","","","4","A 1 2/m 1","-A 2y","12","Hexaquocobalt(II)-cyclopropane-1,1-hydrogencarboxylate","","","- C10 H22 Co O14 -","- C10 H8 Co O14 -","- C20 H16 Co2 O28 -","2","0.25","OS1008","Schwarz, Thomas; Petri, Alke; Schilling, Joachim; Lentz, Axel","Hexaaquacobalt(II) Bis(hydrogen cyclopropane-1,1-dicarboxylate)","Acta Crystallographica Section C","1998","54","8","1104","1105","10.1107/S0108270198002960","","","0.71073","MoKα","","0.038","0.037","","","","0.107","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007555","8.007","0.001","5.546","0.001","19.289","0.002","90","","95.62","0.01","90","","852.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethanolbis(N-nitroso-N-phenyl-hydroxylaminato-O,O')cobalt(II)","","- C14 H18 Co N4 O6 -","- C14 H18 Co N4 O6 -","- C28 H36 Co2 N8 O12 -","2","0.5","QB0041","Andrea Deák; László Párkányi; Alajos Kálmán; Monica Venter; Ionel Haiduc","Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section C","1998","54","8","IUC9800036","","10.1107/S0108270198099478","","","0.7107","MoKα","","0.1277","0.0531","","","","0.1331","","","","","","0.875","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007556","9.2118","0.0001","12.0569","0.0002","12.0845","0.0002","104.471","0.001","97.954","0.001","102.247","0.001","1243.77","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H35 N3 Si2 W -","- C22 H35 N3 Si2 W -","- C44 H70 N6 Si4 W2 -","2","1","QB0044","Wang, Shu-Yu S.; Boncella, James M.; Abboud, Khalil A.","[<i>N</i>,<i>N</i>'-Bis(trimethylsilyl)-<i>o</i>-phenylenediamido](1,4-butanediyl)(phenylimido)tungsten(VI), a Deactivation Product from Olefin Metathesis Polymerization","Acta Crystallographica Section C","1998","54","8","IUC9800035","","10.1107/S010827019809948X","","","0.71073","MoKα","","0.0293","0.0244","","","0.0564","0.0588","","","","","","1.055","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007557","6.4346","0.0012","9.837","0.002","13.116","0.002","90","","90.59","0.02","90","","830.2","0.3","158","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,5S)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C34 H50 N2 O6 -","2","1","QB0045","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>R</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800039","","10.1107/S0108270198099429","","","0.71073","Mo-Kα","","0.0952","0.0607","","","","0.1037","","","","","","1.47","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007558","5.6316","0.0004","12.498","0.002","23.592","0.002","90","","90","","90","","1660.5","0.3","158","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5R)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","QB0046","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>S</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800038","","10.1107/S0108270198099430","","","0.71073","Mo-Kα","","0.097","0.0537","","","","0.0878","","","","","","1.256","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007559","12.799","0.001","19.842","0.002","6.079","0.001","90","","90","","90","","1543.8","0.3","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis-ethanediammoniumchloride tetrachloromercurate","","- C4 H20 Cl6 Hg N4 -","- C4 H20 Cl6 Hg N4 -","- C16 H80 Cl24 Hg4 N16 -","4","0.5","QB0047","Spengler, Roland; Zouari, Ridha; Ben Salah, Abdelhamid; Zimmermann, Helmuth; Burzlaff, Hans","Redetermination of Bis(1,2-ethanediammonium) Dichloride Tetrachloromercurate(II)","Acta Crystallographica Section C","1998","54","8","IUC9800034","","10.1107/S0108270198099491","","","0.70926","MoKα1","","","0.04","","","0.052","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007560","11.761","0.003","12.102","0.004","13.371","0.003","89.28","0.04","74.76","0.02","63.8","0.04","1635.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,2-diammonium,2-methylpropan) cyclohexaphosphate trihydrate","","- C12 H48 N6 O21 P6 -","- C12 H43 N6 O21 P6 -","- C24 H86 N12 O42 P12 -","2","1","QB0051","Charfi, Miriem; Jouini, Amor; Pierrot, Marcel","Disorder in Tris(2-methyl-1,2-propanediammonium) <i>cyclo</i>-Hexaphosphate Trihydrate","Acta Crystallographica Section C","1998","54","8","IUC9800041","","10.1107/S0108270198099417","","","0.71069","MoKα","","0.0532","0.046","","0.1363","0.1322","","","","1.096","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007561","11.749","0.002","6.849","0.002","12.592","0.002","90","","91.8","0.03","90","","1012.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piperazinium dihydrogendiphosphate","","- C4 H14 N2 O7 P2 -","- C4 H14 N2 O7 P2 -","- C16 H56 N8 O28 P8 -","4","1","QB0052","Charfi, Miriem; Jouini, Amor; Pierrot, Marcel","Piperazine-1,4-diium Dihydrogendiphosphate","Acta Crystallographica Section C","1998","54","8","IUC9800042","","10.1107/S0108270198099405","","","0.71069","MoKα","","0.0376","0.0323","","0.0896","0.0867","","","","1.071","1.113","1.113","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007562","8.3429","0.0004","11.0878","0.0004","12.1128","0.0005","102.095","0.001","107.863","0.001","98.02","0.001","1017.49","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(di(n-propyl)dithiocarbamate) Nickel(II)","","- C14 H28 N2 Ni S4 -","- C14 H28 N2 Ni S4 -","- C28 H56 N4 Ni2 S8 -","2","1","QB0053","Jian, Fang-Fang; Wang, Zuo-Xiang; Fun, Hoong-Kun; Bai, Zhi-Ping; You, Xiao-Zeng; Razak, Ibrahim Abdul; Chinnakali, Kandasamy","A New Polymorph of Bis(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1998","54","8","IUC9800044","","10.1107/S0108270198099442","","","0.71073","MoKα","","0.065","0.042","","","","0.115","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007563","12.9452","0.0015","12.9452","0.0015","7.0747","0.0015","90","","90","","90","","1185.6","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium tetrachloroaluminate","","","- C24 H20 Al Cl4 P -","- C24 H20 Al Cl4 P -","- C48 H40 Al2 Cl8 P2 -","2","0.25","QB0056","Neil Burford; Daren J. LeBlanc; Alan J. Lough","Tetraphenylphosphonium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","8","IUC9800040","","10.1107/S0108270198099454","","","0.71073","MoKα","","0.0727","0.0467","","","","0.0999","","","","","","0.993","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007564","8.8978","0.0003","13.7057","0.0004","7.5532","0.0002","90","","115.867","0.001","90","","828.83","0.04","300","2","300","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Feldspar","","","- Fe Ge3 K O8 -","- Fe Ge3 K O8 -","- Fe4 Ge12 K4 O32 -","4","0.5","QB0058","Lévy, David; Barbier, Jacques","A Sanidine Feldspar Analogue: KFeGe~3~O~8~","Acta Crystallographica Section C","1998","54","8","IUC9800043","","10.1107/S0108270198099508","","","0.71073","MoKα","","0.053","0.036","","0.077","0.071","","","","1.138","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007565","7.8972","0.0011","11.571","0.003","12.429","0.003","111.582","0.006","96.749","0.003","91.662","0.003","1045.6","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl Co N4 O9 -","- C18 H22 Cl Co N4 O9 -","- C36 H44 Cl2 Co2 N8 O18 -","2","1","QB0059","Caravan, P.; Orvig, Chris; Rettig, Steven J.","[<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ethylenediaminediacetato]cobalt(III) Perchlorate Monohydrate","Acta Crystallographica Section C","1998","54","8","IUC9800037","","10.1107/S0108270198099466","","","0.7107","MoKα","","0.0902","0.037","","0.0753","","0.0753","","","1.115","","","1.115","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2007566","12.415","0.002","10.806","0.002","13.253","0.003","90","","102.83","0.03","90","","1733.6","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","7-(4-methyl-1-piperazinyl)-6H-[1]benzopyrano[3,4-c]quinoline","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","SK1085","Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore","Characterization of Quinoline Derivatives. II. 7-(4-Methyl-1-piperazinyl)-6<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]quinoline","Acta Crystallographica Section C","1998","54","8","1127","1130","10.1107/S0108270198003941","","","0.71073","MoKα","","0.085","0.046","","0.136","","0.108","","","1.022","","","1.092","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007567","10.564","0.005","6.268","0.002","15.878","0.006","90","","107.94","0.02","90","","1000.2","0.7","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C42 H46 N6 O14 -","2","1","SK1178","Carl Epple; Christian Leumann; Helen Stoeckli-Evans","(1'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>S</i>)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-<i>N</i>^4^-benzoylcytosine","Acta Crystallographica Section C","1998","54","8","1141","1143","10.1107/S010827019800184X","","","0.71073","MoKα","","0.0726","0.0473","","","","0.1458","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007568","12.87","0.002","15.06","0.002","16.575","0.002","84.07","0.02","84.122","0.015","77.77","0.02","3112.2","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,2,4,4,6,6-Hexaphenylcyclotrisiloxane","","- C36 H30 O3 Si3 -","- C36 H30 O3 Si3 -","- C144 H120 O12 Si12 -","4","2","SK1181","Ziemer, Burkhard; Backer, Michael; Auner, Norbert","A Triclinic Polymorph of Hexaphenylcyclotrisiloxane","Acta Crystallographica Section C","1998","54","8","1111","1113","10.1107/S0108270198003205","","","0.71073","MoKα","","0.051","0.036","","0.097","0.091","","","","0.932","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007569","7.178","0.002","14.268","0.003","14.795","0.003","90","","90","","90","","1515.2","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","SX1029","Slobodanka Stanković; Dušan Lazar; Vjera Pejanović; Julijana Petrović; Christian Courseille","<small>D</small>-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","1998","54","8","1158","1160","10.1107/S0108270197019161","","","1.54178","CuKα","","0.0793","0.0428","","0.1855","0.0889","","","","1.133","1.224","1.224","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007570","14.59","0.001","8.857","0.001","16.674","0.001","90","","90.22","0.01","90","","2154.7","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 -","- C27 H23 N3 -","- C108 H92 N12 -","4","1","SX1063","de Silva, Saliya A.; Whitener, Mark A.; Baron, David E.; Zavaleta, Andres; Isidor, Edward V.; Allam, Osama","(9-Anthrylmethyl)bis(2-pyridylmethyl)amine","Acta Crystallographica Section C","1998","54","8","1117","1119","10.1107/S0108270198002728","","","0.71073","MoKα","","0.109","0.055","","0.156","0.123","","","","1.009","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007571","11.675","0.001","14.738","0.002","6.261","0.001","90","","90","","90","","1077.3","0.2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[[(2-Aminoethyl)imino]methyl]-4-hydroxybenzoic acid 0.28 hydrate","","- C10 H12.56 N2 O3.28 -","- C10 H12 N2 O3.277 -","- C40 H48 N8 O13.108 -","4","1","SX1066","Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres","3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate","Acta Crystallographica Section C","1998","54","8","1119","1121","10.1107/S010827019800273X","","","0.71073","MoKα","","0.07","0.043","","0.119","0.104","","","","1.056","1.127","1.127","","","","","has coordinates","194049","2020-10-21","18:00:00",""
"2007572","13.323","0.002","7.8005","0.0009","15.324","0.002","90","","110.499","0.008","90","","1491.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","pptphe","N-tert-butyloxycarbonyl-N-benzylglycine","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","SX1067","Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa","<i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer","Acta Crystallographica Section C","1998","54","8","1164","1165","10.1107/S0108270198002741","","","1.5418","CuKα","","0.095","0.068","","0.288","0.183","","","","1.167","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007573","3.8588","0.0001","3.8588","0.0001","29.6561","0.0007","90","","90","","90","","441.589","0.019","300","2","300","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- K2 Nd2 O10 Ti3 -","- K2 Nd2 O10 Ti3 -","- K4 Nd4 O20 Ti6 -","2","0.0625","TA1188","Amow, Gisele; Greedan, J. E.","The Layered Perovskite K~2~Nd~2~Ti~3~O~10~","Acta Crystallographica Section C","1998","54","8","1053","1055","10.1107/S0108270198002145","","","0.71073","MoKα","","0.028","0.026","","0.067","0.064","","","","1.129","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007574","6.9174","0.0004","7.4267","0.0004","12.0693","0.0007","90","","98.206","0.003","90","","613.69","0.06","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(3-pyridinoxy)benzene","1,4-bis(3-pyridinoxy)benzene","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","0.5","TA1207","McMorran, David A.; Steel, Peter J.","1,4-Bis(3-pyridyloxy)benzene","Acta Crystallographica Section C","1998","54","8","1132","1133","10.1107/S0108270198003059","","","0.71073","MoKα","","","0.037","","","","0.105","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007575","18.951","0.001","9.104","0.001","20.842","0.002","90","","100.01","0.01","90","","3541.1","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(1,4-bis(diphenylphosphino-k,P,P')butane)(N,N'-diethyldithiocarbamato)- nickel(II) perchlorate.","","- C33 H38 Cl N Ni O4 P2 S2 -","- C33 H38 Cl N Ni O4 P2 S2 -","- C132 H152 Cl4 N4 Ni4 O16 P8 S8 -","4","1","AB1521","Ramalingam,Kuppukkannu; Shawkataly, Omar bin; Fun, Hoong-Kun; Ibrahim,Abdul Razak","[1,4-Bis(diphenylphosphino)butane-<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate","Acta Crystallographica Section C","1998","54","9","1223","1225","10.1107/S0108270198001917","","","0.71073","MoKα","","0.0713","0.0441","","0.1314","0.1193","","","","0.945","1.076","1.076","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007576","6.933","0.004","7.826","0.004","11.969","0.007","90","","104.05","0.05","90","","630","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium hydroxypropanedioate","","- C3 H2 K2 O5 -","- C3 H2 K2 O5 -","- C12 H8 K8 O20 -","4","1","AV1017","Taka, Jun-ichiro; Kashino, Setsuo","Potassium Tartronate and Ammonium Tartronate","Acta Crystallographica Section C","1998","54","9","1257","1259","10.1107/S0108270198004065","","","0.71073","MoKα","","","0.031","","","","0.034","","","","","","1.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007577","8.012","0.003","7.638","0.003","10.842","0.005","90","","90","","90","","663.5","0.5","295","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium hydroxypropanedioate","","- C3 H10 N2 O5 -","- C3 H10 N2 O5 -","- C12 H40 N8 O20 -","4","1","AV1017","Taka, Jun-ichiro; Kashino, Setsuo","Potassium Tartronate and Ammonium Tartronate","Acta Crystallographica Section C","1998","54","9","1257","1259","10.1107/S0108270198004065","","","0.71073","MoKα","","","0.039","","","","0.038","","","","","","1.26","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007578","12.681","0.003","12.145","0.002","22.107","0.004","90","","90.35","0.03","90","","3404.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C33 H34 N6 Ni2 O11 -","- C16.5 H16 N3 Ni O5.5 -","- C66 H64 N12 Ni4 O22 -","4","1","BM1200","Koman, Marian; Baloghová, Zuzana; Valigura, Dušan","Structural Investigation of Nickel(II) Complexes. XIII. μ-[2,3,5,6-Tetra-(2-pyridyl)pyrazine]-bis-[bis(acetato)aquanickel(II)]‒Formaldehyde (1/1)","Acta Crystallographica Section C","1998","54","9","1277","1279","10.1107/S0108270198003631","","","0.71073","MoKα","","0.1092","0.0494","","0.1694","0.1184","","","","0.955","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007579","16.031","0.002","17.942","0.003","11.25","0.003","90","","90","","90","","3235.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","trans-2,3,5,7,15-pentaacetoxy jatroph 6(17),11-DIENE-9,14-DIONE","E-(-)-(2R,3R,4R,5S,7R,13R,15R)- 2,3,5,7,15-Pentaacetoxy-2,10,10,13-tetramethyl- 6-methylene-bicyclo[10.3.0] pentadec-11-en-9,14-dione","","- C30 H40 O12 -","- C30 H40 O12 -","- C120 H160 O48 -","4","1","BM1208","Kar, Tanusree; Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Hohmann, Judit","<i>trans</i>-2,3,5,7,15-Pentaacetoxyjatropha-6(17),11-diene-9,14-dione, a Diterpene Oligoester","Acta Crystallographica Section C","1998","54","9","1287","1289","10.1107/S010827019800393X","","","1.5418","CuKα","","0.1067","0.0765","","0.2801","0.2228","","","","1.037","1.258","1.258","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007580","13.61","0.004","8.286","0.001","19.848","0.004","90","","93.74","0.02","90","","2233.5","0.8","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (1-Pyrrolidinecarbodithioate-S,S')(tetrathiotungstenio-S,S')-nickelate(1-)","","- C13 H28 N2 Ni S6 W -","- C13 H28 N2 Ni S6 W -","- C52 H112 N8 Ni4 S24 W4 -","4","1","BM1219","De-Liang Long; Qing-Hua Wang; Jin-Shun Huang","Tetraethylammonium (1-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')(tetrathiotungstenio-<i>S</i>,<i>S</i>')nickelate(1 ‒)","Acta Crystallographica Section C","1998","54","9","1251","1253","10.1107/S0108270198004296","","","0.71073","MoKα","","","0.037","","","0.047","","","","","0.69","0.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007581","9.2751","0.0017","10.39","0.0016","14.08","0.002","98.503","0.012","106.398","0.014","99.953","0.014","1254","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridylamine)(propionato)copper(II) Chloride Monohydrate","","- C23 H25 Cl Cu N6 O3 -","- C23 H25 Cl Cu N6 O3 -","- C46 H50 Cl2 Cu2 N12 O6 -","2","1","BM1221","Sujittra Youngme; Kitisak Poopasit; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Suchada Chantrapromma","Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Chloride Monohydrate","Acta Crystallographica Section C","1998","54","9","1221","1223","10.1107/S0108270198003618","","","0.71073","MoKα","","0.0702","0.05","","0.1477","0.1388","","","","0.994","1.121","1.121","","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2007582","11.885","0.003","8.004","0.002","33.795","0.007","90","","90.59","0.02","90","","3214.7","1.3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-2-amino-5,6-dihydro-benzo[f]quinoline-3-carbonitrile","","- C20 H14 Cl N3 -","- C20 H14 Cl N3 -","- C160 H112 Cl8 N24 -","8","2","BM1235","Elgemeie, Galal E.H.; Fathy, Nahed M.; Jones, Peter G.","2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile, a Strongly Fluorescent Phenanthridine Analogue","Acta Crystallographica Section C","1998","54","9","1314","1316","10.1107/S0108270198003813","","","0.71073","MoKα","","0.0676","0.044","","0.1071","0.0928","","","","1.044","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007583","5.5431","0.0005","8.909","0.0006","45.893","0.004","90","","90","","90","","2266.4","0.3","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyacetophenone anil","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0603","","","0.0735","","","","","1.0892","1.0892","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007584","18.339","0.003","9.642","0.001","16.323","0.002","90","","90.26","0.02","90","","2886.3","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-hydroxybenzophenone anil","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0437","","","0.0476","","","","","1.126","1.126","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007585","15.883","0.002","7.233","0.001","7.718","0.001","90","","90.29","0.01","90","","886.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Titano nonaoxodiarséniate de tétrasodium","","- As2 Na4 O9 Ti -","- As2 Na4 O9 Ti -","- As8 Na16 O36 Ti4 -","4","0.5","BR1184","Yaakoubi, Arbia; Jouini, Tahar","Na~4~TiAs~2~O~9~","Acta Crystallographica Section C","1998","54","9","1200","1202","10.1107/S010827019701994X","","","0.71069","MoKα","","0.077","0.036","","0.097","0.076","","","","1.154","1.135","1.135","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007586","3.6848","0.0002","3.6848","","10.552","0.0005","90","","90","","90","","143.272","0.01","292","","292","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C B2 Er Rh2 -","- C B2 Er Rh1.838 -","- C2 B4 Er2 Rh3.676 -","2","0.0625","BR1189","Ye, Jinhua; Shishido, Toetsu; Kimura, Takashi; Matsumoto, Takehiko; Fukuda, Tsuguo","End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C","Acta Crystallographica Section C","1998","54","9","1211","1214","10.1107/S0108270198003035","","","0.7107","MoKα","","","0.019","","","0.02","","","","","1.7","1.7","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007587","6.712","0.002","6.892","0.002","7.855","0.002","94.27","0.02","114.47","0.02","114.79","0.02","286.39","0.17","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","divanadium managanese tellurite","","","- Mn O7 Te V2 -","- Mn O7 Te V2 -","- Mn2 O14 Te2 V4 -","2","1","BR1206","Feger, Christopher R.; Kolis, Joseph W.","V~2~MnTeO~7~","Acta Crystallographica Section C","1998","54","9","1217","1219","10.1107/S010827019800448X","","","0.7107","MoKα","","0.036","0.028","","0.036","0.035","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007588","16.923","0.002","14.783","0.002","17.6634","0.0013","90","","90","","90","","4418.9","0.9","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra-n-butylammonium trinitromethane","tetra-n-butylammonium trinitromethanide","","- C17 H36 N4 O6 -","- C17 H36 N4 O6 -","- C136 H288 N32 O48 -","8","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.043","0.043","","0.127","","0.127","","","1.03","1.13","1.13","","","","","has coordinates,has disorder","200221","2020-10-21","18:00:00",""
"2007589","8.1023","0.0005","8.3297","0.0004","9.4897","0.0009","90","","99.208","0.006","90","","632.2","0.08","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caesium trinitromethane","caesium trinitromethanide","","- C Cs N3 O6 -","- C Cs N3 O6 -","- C4 Cs4 N12 O24 -","4","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.018","0.018","","0.047","","0.047","","","1.09","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007590","16.6","0.003","13.12","0.003","7.96","0.002","90","","109.23","0.03","90","","1636.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[6-(4,5-dimethyl-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7-dihydro-5H-dibenzo- [a.c]cycloheptene]","","- C20 H14 O2 S2 -","- C20 H14 O2 S2 -","- C80 H56 O8 S8 -","4","0.5","CF1132","Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim","New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety","Acta Crystallographica Section C","1998","54","9","1364","1367","10.1107/S0108270198000602","","","0.71073","MoKα","","0.088","0.043","","0.109","0.099","","","","0.749","0.969","0.969","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007591","10.519","0.002","25.456","0.005","20.319","0.004","90","","92.03","0.03","90","","5437.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[6-(4,5-tetramethylene-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7- dihydro-5H-dibenzo[a.c]cycloheptene]","","- C22 H16 O2 S2 -","- C22 H16 O2 S2 -","- C264 H192 O24 S24 -","12","1.5","CF1132","Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim","New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety","Acta Crystallographica Section C","1998","54","9","1364","1367","10.1107/S0108270198000602","","","0.71073","MoKα","","0.101","0.059","","0.171","0.132","","","","1.088","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007592","8.11","0.001","10.045","0.002","30.67","0.003","90","","90.8","0.3","90","","2498.3","0.7","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl2 N4 O2 S -","- C27 H24 Cl2 N4 O2 S -","- C108 H96 Cl8 N16 O8 S4 -","4","1","CF1198","Benelbaghdadi, Rachida; Benharref, Ahmed; Hasnaoui, Aïssa; Lavergne, Jean-Pierre; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. II. Condensation of Nitrilimines with [1,4]Benzodiazepine and [1,4]Benzodiazepin-2-one","Acta Crystallographica Section C","1998","54","9","1343","1345","10.1107/S0108270198003825","","","0.71073","Mo_Kα","","0.132","0.047","","","0.062","","","","","1.655","1.655","","","","","has coordinates,has Fobs","278324","2022-10-03","14:41:53",""
"2007593","10.8058","0.0003","11.1736","0.0003","16.7577","0.0005","93.7","0.001","90.732","0.001","100.238","0.001","1986.35","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato-S,S')- tris(μ^2^-η~2~-disulfido)(μ~3~-sulfido)trimolybdenum(IV) (3Mo—Mo) diethyldithiocarbamate","","- C20 H40 Mo3 N4 S15 -","- C20 H36 Mo3 N4 S15 -","- C40 H72 Mo6 N8 S30 -","2","1","CF1227","Hong-Ping Zhu; Chang-Neng Chen; Qiu-Tian Liu; Jiu-Tong Chen","A Triangular [Mo~3~S~7~]^4+^ Complex: Tris(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tris(μ~2~-η^2^-disulfido)(μ~3~-sulfido)trimolybdenum(IV)(3 <i>Mo</i>—<i>Mo</i>)Diethyldithiocarbamate","Acta Crystallographica Section C","1998","54","9","1273","1275","10.1107/S0108270198003643","","","0.71073","MoKα","","0.033","0.03","","0.09","0.082","","","","0.845","0.802","0.802","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007594","13.074","0.002","17.354","0.002","13.794","0.004","90","","90","","90","","3129.7","1.1","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(1,4-dimethyl-1,4,7-triazacyclononanyl)-μ-aqua- μ-acetato-μ-hydroxodicopper(II) perchlorate","","- C18 H44 Cl2 Cu2 N6 O12 -","- C18 H42 Cl2 Cu2 N6 O12 -","- C72 H168 Cl8 Cu8 N24 O48 -","4","0.5","CF1241","Elliot, David J.; Martin, Lisandra L.; Taylor, Max R.","μ-Acetato-μ-aqua-μ-hydroxo-bis[(1,4-dimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)] Diperchlorate","Acta Crystallographica Section C","1998","54","9","1259","1261","10.1107/S0108270198004375","","","0.71073","MoKα","","0.041","0.039","","0.092","0.09","","","","1.705","1.706","1.706","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2007595","15.3046","0.001","14.5739","0.001","6.4175","0.0006","90","","90","","90","","1431.41","0.19","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","7-Methyl-3,7,11,17-tetra-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene","","- C14 H24 N4 -","- C14 H24 N4 -","- C56 H96 N16 -","4","0.5","CF1244","Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","1998","54","9","1327","1329","10.1107/S0108270198004387","","","0.71073","MoKα","","0.0658","0.0479","","","","0.1222","","","","","","1.162","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007596","7.185","0.001","11.3264","0.0008","13.443","0.001","90","","93.48","0.01","90","","1091.98","0.19","294.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 B F2 N O -","- C11 H12 B F2 N O -","- C44 H48 B4 F8 N4 O4 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.057","","","0.038","","","","","3.14","3.14","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2007597","6.043","0.002","11.192","0.002","15.715","0.002","90","","99.76","0.01","90","","1047.5","0.4","294.2","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C44 H48 B4 F8 N4 O4 -","2","0.5","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.052","","","0.037","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007598","14.685","0.002","8.679","0.003","17.769","0.003","90","","111.75","0.01","90","","2103.5","0.9","289.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C88 H96 B8 F16 N8 O8 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.0848","","","0.0518","","","","","1.341","1.341","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2007599","8.0599","0.001","8.419","0.001","8.4446","0.0008","78.078","0.009","78.886","0.011","61.473","0.007","489.63","0.1","295","2","","","","","","","","","","4","P -1","-P 1","2","","8-Ammonioquinolinium dichloride","","- C9 H10 Cl2 N2 -","- C9 H10 Cl2 N2 -","- C18 H20 Cl4 N4 -","2","1","DE1080","Yaw Kai Yan; Ngoh Khang Goh; Lian Ee Khoo","8-Ammonioquinolinium Dichloride","Acta Crystallographica Section C","1998","54","9","1322","1324","10.1107/S0108270198003977","","","0.71073","MoKα","","","0.0275","","","","0.0835","","","","","","1.051","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007600","18.005","0.003","7.497","0.003","11.796","0.002","90","","90","","90","","1592.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Vanadyl diarsénovanadate de césium","","- As2.54 Cs2 O17 V4.46 -","- As2.54 Cs2 O17 V4.46 -","- As10.16 Cs8 O68 V17.84 -","4","0.5","DU1175","Haddad, Amor; Boughzala, Habib; Jouini, Tahar","Cs~2~V~3~(As~0,635~V~0,365~)~4~O~17~","Acta Crystallographica Section C","1998","54","9","1202","1204","10.1107/S0108270197007415","","","0.71069","RadiationMoKα","","0.0606","0.0307","","0.0682","0.0592","","","","1.133","1.183","1.183","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007601","10.263","0.002","10.27","0.002","20.42","0.002","90","","98.38","0.03","90","","2129.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O22 Rb5 Sb7 Ti -","- O22 Rb5 Sb7 Ti -","- O88 Rb20 Sb28 Ti4 -","4","0.5","FG1383","Almgren, Jenni; Svensson, Göran; Albertsson, Jörgen","Rubidium Antimony(V) Titanium Oxide, Rb~5~Sb~7~TiO~22~","Acta Crystallographica Section C","1998","54","9","1206","1209","10.1107/S0108270198003837","","","0.71073","MoKα","","0.0872","0.0499","","0.1004","0.0871","","","","1.273","1.323","1.323","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007602","8.582","0.002","11.313","0.002","16.251","0.003","74.75","0.03","87.29","0.03","83.16","0.03","1511.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Fe2 N3 O21 -","- C21 H25 Fe2 N3 O21 -","- C42 H50 Fe4 N6 O42 -","2","1","FG1421","Abboud, Khalil A.; Xu, Cheng; Drago, Russell S.","Triaqua(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Bis(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Hexahydrate: an Unusual Ion-Pair Compound","Acta Crystallographica Section C","1998","54","9","1270","1273","10.1107/S0108270198000183","","","0.71073","MoKα","","0.045","0.035","","","0.092","0.097","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007603","21.558","0.004","6.5897","0.0012","18.861","0.002","90","","111.891","0.01","90","","2486.2","0.7","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-2,16-dioxatetracyclo[9.4.0.0^3,8^.1^1,8^]hexadecane","","- C14 H22 O3 -","- C14 H22 O3 -","- C112 H176 O24 -","8","1","FG1423","Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.","10,16-Dioxatetracyclo[7.6.1.0^1,11^.0^4,9^]hexadecan-11-ol","Acta Crystallographica Section C","1998","54","9","1285","1287","10.1107/S0108270198003849","","","0.71069","MoKα","","0.0925","0.0399","","0.1251","0.0964","","","","1.014","1.055","1.055","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007604","15.8782","0.0011","5.784","0.0009","17.1481","0.0009","90","","107.535","0.004","90","","1501.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(ethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C15 H15 N O3 S2 -","- C15 H15 N O3 S2 -","- C60 H60 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.04","0.03","","","","0.081","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007605","35.6712","0.0018","5.8847","0.0019","15.4068","0.0015","90","","90.737","0.007","90","","3233.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-S-(propenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C128 H136 N8 O24 S16 -","8","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.06","0.038","","","","0.111","","","","","","1.03","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007606","10.37","0.002","9.9267","0.0018","19.9997","0.0016","90","","94.285","0.01","90","","2053","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-S-(2-cyclohexylethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C21 H25 N O3 S2 -","- C21 H25 N O3 S2 -","- C84 H100 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.06","0.038","","","","0.104","","","","","","1.026","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007607","9.968","0.003","11.6851","0.0014","18.509","0.004","90","","90","","90","","2155.9","0.8","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-S-phenyl-S-(4-phenylbut-1-enyl)-N-(p-tolylsulfonyl)sulfoximine","","- C23 H23 N O3 S2 -","- C23 H23 N O3 S2 -","- C92 H92 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.083","0.035","","","","0.095","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007608","13.876","0.007","21.926","0.008","9.363","0.002","97.05","0.03","91.78","0.03","99.83","0.03","2781.7","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-S-(2-trimethylsilylphenyl)-S-(3-methyl-1-trimethylsilylbut-1-enyl)- N-(p-tolylsulfonyl)sulfoximine","","- C24 H37 N O3 S2 Si2 -","- C24 H37 N O3 S2 Si2 -","- C96 H148 N4 O12 S8 Si8 -","4","2","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.057","0.036","","","","0.109","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007609","11.142","0.003","17.128","0.004","15.541","0.004","90","","100.35","0.03","90","","2917.6","1.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-S-(2-trimethylsilylphenyl)-S-(2-phenyl-1-trimethylsilylethenyl)- N-(p-tolylsulfonyl)sulfoximine","","- C27 H35 N O3 S2 Si2 -","- C27 H35 N O3 S2 Si2 -","- C108 H140 N4 O12 S8 Si8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.103","0.068","","","","0.227","","","","","","1.013","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007610","11.019","0.002","17.093","0.004","11.044","0.003","90","","99.73","0.03","90","","2050.2","0.8","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-S-(1-trimethylsilylprop-1-enyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C19 H25 N O3 S2 Si -","- C19 H25 N O3 S2 Si -","- C76 H100 N4 O12 S8 Si4 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.076","0.047","","","","0.149","","","","","","1.197","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007611","9.747","0.002","10.648","0.002","15.418","0.003","90","","90","","90","","1600.2","0.5","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","phenyl vinylsulfone","","- C8 H8 O2 S -","- C8 H8 O2 S -","- C64 H64 O16 S8 -","8","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.039","0.03","","","","0.087","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007612","9.057","0.002","11.092","0.003","7.299","0.002","106.31","0.02","108.15","0.02","77.88","0.02","662.7","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Fe N2 O10 -","- C24 H32 Fe N2 O10 -","- C24 H32 Fe N2 O10 -","1","0.5","FG1437","Okabe, Nobuo; Makino, Tomomi","<i>trans</i>-Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)iron(II)‒Ethanol‒Water (1/2/2)","Acta Crystallographica Section C","1998","54","9","1279","1280","10.1107/S0108270198004739","","","0.71069","MoKα","","","0.068","","","0.089","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007613","17.441","0.002","10.9569","0.0012","10.756","0.003","90","","107.69","0.011","90","","1958.3","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(N-Methyl-N-benzyl)carbamoyl-1,2,4- trimethylquinolinium iodide","","- C21 H23 I N2 O -","- C21 H23 I N2 O -","- C84 H92 I4 N8 O4 -","4","1","FG1441","Lutz, Martin; Spek, Anthony L.","3-(<i>N</i>-Benzyl-<i>N</i>-methylcarbamoyl)-1,2,4-trimethylquinolinium Iodide","Acta Crystallographica Section C","1998","54","9","1291","1292","10.1107/S010827019800314X","","","0.71073","MoKα","","0.033","0.029","","","","0.085","","","","","","1.136","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007614","13.9138","0.0016","8.2036","0.0013","14.555","0.002","90","","99.836","0.01","90","","1636.9","0.4","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Br2 Mg N O -","- C10 H23.9 Br2 Mg N O -","- C40 H95.6 Br8 Mg4 N4 O4 -","4","1","FG1446","Henderson, Kenneth W.; Kennedy, Alan R.","Dibromo(diethyl ether-<i>O</i>)(diisopropylamine-<i>N</i>)magnesium(II)","Acta Crystallographica Section C","1998","54","9","1238","1240","10.1107/S0108270198003655","","","0.71069","MoKα","","0.112","0.033","","","","0.096","","","","","","0.986","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007615","9.703","0.001","5.582","0.001","12.765","0.001","90","","97.9","0.01","90","","684.82","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-oxo-1-cyclohexene-1-carboxylic acid","3-oxo-1-cyclohexene-1-carboxylic acid","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","FG1448","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","3-Oxo-1-cyclohexene-1-carboxylic Acid: Catemeric Hydrogen Bonding and Flexional Ring Disorder in a γ-Keto Acid","Acta Crystallographica Section C","1998","54","9","1282","1285","10.1107/S0108270198004740","","","0.71073","MoKα","","0.084","0.048","","0.137","0.117","","","","1.06","1.15","1.15","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007616","13.488","0.005","10.113","0.003","22.223","0.01","90","","98.78","0.02","90","","2996","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 K O6 Se8 W -","- C17 H29 K O6 Se8 W -","- C68 H116 K4 O24 Se32 W4 -","4","1","FG1451","Thöne, Carsten; Jones, Peter G.; Laube, Jörg; Jäger, Stefan","Organometallic Selenolates. IX. (18-Crown-6)-potassium (η^5^-cyclopentadienyl)bis(1,4-tetraselenido-<i>Se</i>^1^,<i>Se</i>^4^)tungstate(IV)","Acta Crystallographica Section C","1998","54","9","1247","1249","10.1107/S0108270198004752","","","0.71073","MoKα","","0.146","0.065","","0.164","0.135","","","","0.92","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007617","18.049","0.001","8.637","0.001","13.908","0.001","90","","128.25","0.05","90","","1702.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl O2 P S -","- C16 H18 Cl O2 P S -","- C64 H72 Cl4 O8 P4 S4 -","4","0.5","FR1051","Aygün, Muhittin.; Işík, Şamil.; Odabaşoǧlu, Mustafa; Tahir,M.Nawaz; Erdönmez, Ahmet.; Büyükgüngör, Orhan.","Bis(2,6-dimethylphenyl) Chlorothiophosphate","Acta Crystallographica Section C","1998","54","9","1345","1347","10.1107/S0108270198003291","","","0.71069","MoKα","","0.0342","0.0313","","0.0872","0.0856","","","","1.141","1.178","1.178","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007618","20.977","0.003","5.2741","0.0004","15.406","0.002","90","","121.422","0.007","90","","1454.5","0.3","298","","0","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","triammonium dizinc vanadium diphosphate di(hydrogen phosphate)","","- H14 N3 O16 P4 V Zn2 -","- N3 O16 P4 V Zn2 -","- N12 O64 P16 V4 Zn8 -","4","0.5","FR1102","Bircsak, Zsolt; Harrison, William T. A.","Ammonium Zinc Vanadium Phosphate, (NH~4~)~3~Zn~2~V(PO~4~)~2~(HPO~4~)~2~","Acta Crystallographica Section C","1998","54","9","1197","1200","10.1107/S0108270198003667","","","0.71073","MoKα","","","0.038","","","0.036","","","","","1.92","1.92","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007619","7.173","0.002","8.841","0.002","9.458","0.002","65.08","0.02","70.68","0.02","69.59","0.02","497.7","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","triamonium trivanadium(III) hexakis(hydrogen phosphate)","","- H18 N3 O24 P6 V3 -","- H14 N3 O24 P6 V3 -","- H14 N3 O24 P6 V3 -","1","0.5","FR1104","Bircsak, Zsolt; Harrison, William T. A.","α-Ammonium Vanadium Hydrogen Phosphate, α-(NH~4~)V(HPO~4~)~2~","Acta Crystallographica Section C","1998","54","9","1195","1197","10.1107/S0108270198002856","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007620","9.614","0.004","10.664","0.004","12.26","0.003","112.37","0.03","100.77","0.03","90.2","0.03","1138","0.8","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Mn N6 Ni2 O10 -","- C44 H52 Mn N6 Ni2 O10 -","- C44 H52 Mn N6 Ni2 O10 -","1","0.5","FR1111","Ercan, Filiz; Atakol, Orhan","A Linear Trinuclear Ni^II^‒Mn^II^‒Ni^II^ Complex with a μ-Acetato Bridge: Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}manganese(II)","Acta Crystallographica Section C","1998","54","9","1268","1270","10.1107/S0108270198003679","","","0.71073","MoKα","","","0.031","","","0.04","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007621","12.661","0.005","13.816","0.006","7.93","0.002","96.44","0.03","96.71","0.03","109.5","0.03","1281.6","0.9","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-ethylenebis(3-t-butyl-5-methyl-salicylideneaminato)oxovanadium(IV)","","- C26 H34 N2 O3 V -","- C26 H34 N2 O3 V -","- C52 H68 N4 O6 V2 -","2","1","FR1114","Haas, Geoffrey; Schimek, George L.; Pennington, William T.; Kolis, Joseph W.","[<i>N</i>,<i>N</i>'-Ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneaminato)]oxovanadium(IV)","Acta Crystallographica Section C","1998","54","9","1263","1265","10.1107/S0108270198003990","","","0.7107","MoKα","","0.1256","0.0648","","0.0616","","0.0572","","","","","","1.88","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007622","11.059","0.003","7.862","0.002","21.828","0.004","90","","97.17","0.02","90","","1883","0.8","295","2","295","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Sodium ethylenediamminetetraacetato μ-oxo-μ-sulfido bisoxomolybdenum(V) dihydrate","","- C10 H16 Mo2 N2 Na2 O13 S -","- C10 H12 Mo2 N2 Na2 O13 S -","- C40 H48 Mo8 N8 Na8 O52 S4 -","4","1","FR1115","Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W.","Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O","Acta Crystallographica Section C","1998","54","9","1265","1268","10.1107/S0108270198003163","","","0.71073","MoKα","","0.086","0.047","","","","0.115","","","0.788","","","0.788","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007623","5.2789","0.0012","25.266","0.011","7.139","0.003","90","","103.49","0.03","90","","925.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclodecanol","cyclodecanol","","- C10 H20 O -","- C10 H20 O -","- C40 H80 O4 -","4","1","FR1118","Valente, Edward J.; Pawar, Diwakar M.; Noe, Eric A.","Cyclodecanol","Acta Crystallographica Section C","1998","54","9","1302","1304","10.1107/S0108270198003308","","","0.71073","MoKα","","0.172","0.056","","","","0.138","","","","","","0.6","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007624","8.945","0.001","11.472","0.001","14.649","0.002","90","","106.36","0.01","90","","1442.4","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethylbiphenyl-2,2'-dicarboxylic acid","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","FR1132","Gerkin, Roger E.","6,6'-Dimethylbiphenyl-2,2'-dicarboxylic Acid (6,6'-Dimethyldiphenic Acid)","Acta Crystallographica Section C","1998","54","9","1369","1372","10.1107/S0108270198005204","","","0.71073","MoKα","","","0.052","","","0.084","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007625","7.7244","0.0006","9.9912","0.0014","13.82","0.003","90","","91.006","0.011","90","","1066.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-7-(carboxymethyl)purine Ethyl Ester","","- C9 H9 Cl N4 O2 -","- C9 H9 Cl N4 O2 -","- C36 H36 Cl4 N16 O8 -","4","1","HA1208","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","7-(Carboxymethyl)-6-chloropurine Ethyl Ester","Acta Crystallographica Section C","1998","54","9","1316","1318","10.1107/S010827019800345X","","","1.54178","CuKα","","0.038","0.034","","0.082","0.079","","","","1.071","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007626","22.036","0.004","9.243","0.002","19.816","0.003","90","","90","","90","","4036.1","1.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bistitanium (IV) tetraisopropoxide di-μ-isopropoxide di-2,4,6-trimethylphenoxide","","- C36 H64 O8 Ti2 -","- C36 H64 O8 Ti2 -","- C144 H256 O32 Ti8 -","4","0.5","HA1214","James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","[Ti~2~(O-2,4,6-Me~3~C~6~H~2~)~2~(O^<i>i^</i>Pr)~4~(μ-O^<i>i^</i>Pr)~2~]","Acta Crystallographica Section C","1998","54","9","1261","1263","10.1107/S0108270198003461","","","0.71073","MoKα","","0.1","0.056","","0.172","0.15","","","","0.977","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007627","8.2983","0.0001","14.6086","0.0002","29.1258","0.0004","90","","90","","90","","3530.82","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarine- 8,9-aziridine","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C168 H144 Br8 N8 O16 -","8","1","HA1215","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative","Acta Crystallographica Section C","1998","54","9","1299","1301","10.1107/S0108270198003874","","","0.71073","MoKα","","0.0863","0.0479","","0.1088","0.0927","","","","1.065","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007628","23.9096","0.0007","9.5192","0.0003","11.9629","0.0003","90","","112.136","0.001","90","","2522.07","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","HA1219","Goswami, Shyamaprosad; Ajit Kumar Mahapatra; Gur Dayal Nigam; Chinnakali, Kandasamy; Fun, Hoong-Kun","<i>N</i>-(3-Hydroxyphenyl)-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1998","54","9","1301","1302","10.1107/S010827019800479X","","","0.71073","MoKα","","0.045","0.036","","0.102","0.096","","","","1.058","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007629","11.636","0.002","8.232","0.001","11.086","0.002","90","","128.71","0.01","90","","828.6","0.3","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ni O12 P4 Zn -","- Ni0.5 O12 P4 Zn0.5 -","- Ni2 O48 P16 Zn2 -","4","0.5","JZ1265","Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.","A Mixed Zinc‒Nickel <i>cyclo</i>-Tetraphosphate, ZnNiP~4~O~12~","Acta Crystallographica Section C","1998","54","9","1209","1211","10.1107/S0108270198003886","","","0.71073","MoKα","","0.069","0.031","","","0.041","","","","","1.227","1.227","","","","","has coordinates,has Fobs","176342","2020-10-21","18:00:00",""
"2007630","9.8205","0.001","10.9505","0.001","25.645","0.002","90","","90","","90","","2757.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11α-hydroxy-28-methoxy-28-oxo-2,3-dinor-18β-olean-12-en-1,4-olide","","- C29 H46 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.05","0.043","","0.133","0.122","","","","1.061","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007631","6.58","0.001","12.1344","0.001","32.338","0.002","90","","90","","90","","2582","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","28-methoxy-28-oxo-1,2-dinor-10α,18β-oleano-9,12-dien-3,10β-olide","","- C29 H42 O4 -","- C29 H42 O4 -","- C116 H168 O16 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.041","0.033","","0.102","0.094","","","","1.053","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007632","20.074","0.002","6.488","0.003","7.18","0.004","90","","96.68","0.02","90","","928.8","0.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","JZ1267","Okabe, Nobuo; Adachi, Yukari","2-Hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic Acid","Acta Crystallographica Section C","1998","54","9","1330","1331","10.1107/S0108270198003175","","","0.71069","MoKα","","","0.059","","","0.12","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007633","8.1023","0.0008","9.7724","0.001","5.5763","0.0008","90","","121.9","0.08","90","","374.8","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","caesium oxo-antimonate(III)","","- Cs O2 Sb -","- Cs O2 Sb -","- Cs4 O8 Sb4 -","4","0.5","JZ1279","Hirschle, Christian; Röhr, Caroline","Caesium Dioxoantimonate(III), CsSbO~2~","Acta Crystallographica Section C","1998","54","9","1219","1220","10.1107/S010827019800331X","","","0.7107","MoK~α~","","0.039","0.0383","","","","0.1072","","","","","","1.135","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007634","10.835","0.002","20.834","0.003","7.85","0.002","90","","103","0.02","90","","1726.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1H-indole-1-carboxylic Acid 2,2,2-Trichloroethyl ester","","- C15 H9 Cl5 N2 O3 -","- C15 H9 Cl5 N2 O3 -","- C60 H36 Cl20 N8 O12 -","4","1","JZ1281","Radspieler, Alexander; Ziemer, Burkhard; Liebscher, Jürgen","Twisted Structure of a Substituted 2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1<i>H</i>-indole","Acta Crystallographica Section C","1998","54","9","1351","1353","10.1107/S0108270198004351","","","0.71073","MoKα","","0.035","0.0286","","0.0775","0.075","","","","1.033","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007635","10.8948","0.001","7.7476","0.001","13.2634","0.001","90","","114.283","0.01","90","","1020.5","0.2","133","","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br N2 Si -","- C6 H13 Br N2 Si -","- C24 H52 Br4 N8 Si4 -","4","1","JZ1282","Hensen, Karl; Kettner, Markus; Bolte, Michael","<i>N</i>-Trimethylsilylimidazole Hydrobromide at 133K","Acta Crystallographica Section C","1998","54","9","1312","1314","10.1107/S010827019800362X","","","0.71073","MoKα","","0.0527","0.0382","","0.096","0.0891","","","","1.057","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007636","14.7592","0.0015","10.7763","0.0011","10.0983","0.0007","90","","92.473","0.007","90","","1604.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C64 H72 Cu4 N8 O16 -","4","1","JZ1284","Warda, Salam A.","Aqua(2-ethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","9","1236","1238","10.1107/S0108270198004673","","","0.71073","MoKα","","0.0737","0.0426","","","","0.095","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007637","9.847","0.003","10.242","0.003","10.866","0.003","90","","101.4","0.04","90","","1074.2","0.6","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6'-dimethoxy-1',2'α,3'β,4'-tetrahydroquinolino[3',2':16,17]estra-1,3,5(10)- triene","","- C27 H33 N O2 -","- C27 H33 N O2 -","- C54 H66 N2 O4 -","2","1","KA1260","Bes, M. Teresa; Usón, Isabel; Pelikán, Szilvia; Tietze, Lutz F.; Frank, Éva; Schneider, Gyula","A Hexacyclic Estrone Derivative","Acta Crystallographica Section C","1998","54","9","1341","1343","10.1107/S0108270198002881","","","0.71073","MoKα","","0.037","0.036","","0.102","0.101","","","","1.016","1.015","1.015","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007638","9.147","0.002","13.36","0.002","9.379","0.002","90","","113.83","0.02","90","","1048.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(perchlorato-O)- [(5RS,6RS,12SR,13SR)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N]copper(II)","","- C14 H32 Cl2 Cu N4 O8 -","- C14 H26 Cl2 Cu N4 O8 -","- C28 H52 Cl4 Cu2 N8 O16 -","2","0.5","KA1262","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Huang, Chin-Sun; Chung, Chung-Sun; Tung, Shu-Fang","Two Conformational (Configurational) Isomers of Diperchlorato[(5<i>RS</i>,6<i>RS</i>,12<i>SR</i>,13<i>SR</i>)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]copper(II)","Acta Crystallographica Section C","1998","54","9","1240","1242","10.1107/S0108270198003710","","","0.71073","MoKα","","0.102","0.051","","0.13","0.118","","","","0.99","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007639","9.291","0.001","7.957","0.002","8.093","0.002","90","","103.11","0.01","90","","582.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4 diaminobutane tetrabromopalladate","","- C4 H14 Br4 N2 Pd -","- C4 H14 Br4 N2 Pd -","- C8 H28 Br8 N4 Pd2 -","2","0.5","LN1029","Zouari, Rhida; Leger, Jean Michel; Maris,Thierry; Chanh, N. B.","1,4-Butanediammonium Tetrabromopalladate(II)","Acta Crystallographica Section C","1998","54","9","1253","1255","10.1107/S0108270198003473","","","0.71073","MoKα","","0.039","0.025","","","","0.074","","","","","","1.223","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007640","16.9681","0.001","16.9681","0.001","6.5473","0.0006","90","","90","","120","","1632.5","0.2","100","2","100","2","","","","","","","","3","P 65","P 65","170","","(2S,3R,5S)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone Diethyl Ether Solvate","","- C10.48 H17.2 O2.12 -","- C10 H16 O2 -","- C60 H96 O12 -","6","1","LN1051","Lutz, Martin; Spek, Anthony L.","(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate","Acta Crystallographica Section C","1998","54","9","1293","1295","10.1107/S0108270198003783","","","0.71073","MoKα","","0.0328","0.0301","","","","0.0836","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007641","16.599","0.002","13.957","0.002","18.105","0.003","90","","95.929","0.012","90","","4172","1","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)-one","","- C24 H22 N3 O2 P -","- C24 H22 N3 O2 P -","- C192 H176 N24 O16 P8 -","8","1","LN1053","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio","2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1355","1357","10.1107/S0108270198003795","","","0.7107","MolybdenumKα","","0.1092","0.0392","","0.1128","0.1007","","","","0.964","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007642","8.666","0.002","10.985","0.003","12.373","0.003","79.291","0.012","75.62","0.02","70.693","0.014","1069.8","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","2-methylthio-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)- one","","- C24 H22 N3 O P S -","- C24 H22 N3 O P S -","- C48 H44 N6 O2 P2 S2 -","2","1","LN1053","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio","2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1355","1357","10.1107/S0108270198003795","","","0.7107","MolybdenumKα","","0.0679","0.0647","","0.1641","0.1617","","","","1.084","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007643","8.0862","0.0019","12.576","0.004","8.186","0.002","90","","98.441","0.019","90","","823.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 B Cu F4 N2 O2 -","- C2 H9 B Cu F4 N2 O2 -","- C8 H36 B4 Cu4 F16 N8 O8 -","4","1","MU1344","Cronin, Leroy; Harper, Miriam, C; Walton, Paul H.; Lindsay, Chris","<i>catena</i>-Poly[diamminecopper(II)-μ-acetato-<i>O</i>:<i>O</i>'] Tetrafluoroborate","Acta Crystallographica Section C","1998","54","9","1255","1257","10.1107/S0108270198004594","","","0.71069","MoKα","","0.0454","0.0383","","","","0.1055","","","","","","1.053","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007644","10.802","0.003","12.896","0.008","14.936","0.006","90","","90","","90","","2080.6","1.6","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","0.71069","MoKα","","0.09","0.058","","0.152","0.086","","","","","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007645","27.132","0.005","27.132","0.005","8.29","0.004","90","","90","","120","","5285","3","296","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H33 N O3 -","- C24 H30 N O3 -","- C216 H270 N9 O27 -","9","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","1.5418","CuKα","","0.06","0.055","","0.084","0.074","","","","","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007646","13.148","0.005","5.834","0.001","6.501","0.002","90","","90","","90","","498.7","0.3","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","bis(thiourea)cadmium chloride","Bis(thiourea)cadmium Chloride","","- C2 H8 Cd Cl2 N4 S2 -","- C2 H8 Cd Cl2 N4 S2 -","- C4 H16 Cd2 Cl4 N8 S4 -","2","0.5","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.0258","0.0177","","0.0428","0.0397","","","","1.053","1.008","1.008","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007647","13.052","0.018","5.9892","0.0019","13.542","0.003","90","","90","","90","","1058.6","1.5","293","2","293","2","","","","","","","","6","P n a m","-P 2c 2n","62","bis(thiourea)cadmium chloride","Bis(thiourea)cadmium bromide","","- C2 H8 Br2 Cd N4 S2 -","- C2 H8 Br2 Cd N4 S2 -","- C8 H32 Br8 Cd4 N16 S8 -","4","0.5","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.132","0.0553","","","","0.191","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007648","10.481","0.002","7.64","0.002","15.133","0.004","90","","91","0.02","90","","1211.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(thiourea)cadmium iodide","Bis(thiourea)cadmium Iodide","","- C2 H8 Cd I2 N4 S2 -","- C2 H8 Cd I2 N4 S2 -","- C8 H32 Cd4 I8 N16 S8 -","4","1","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.117","0.0505","","","","0.1413","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007649","9.378","0.002","20.241","0.004","12.848","0.003","90","","99.31","0.03","90","","2406.7","0.9","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis((O, μ-O'methyllactato)-dioxovanadate(V))-bis(tetrabuthylammonium)] dihydrate]","","- C40 H88 N2 O12 V2 -","- C40 H88 N2 O12 V2 -","- C80 H176 N4 O24 V4 -","2","0.5","NA1343","Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter","Bis(tetra-<i>n</i>-butylammonium) Bis[(methyllactato)dioxovanadate(V)] Dihydrate","Acta Crystallographica Section C","1998","54","9","1249","1251","10.1107/S0108270198003424","","","0.71073","MoKα","","0.062","0.046","","0.133","0.12","","","","1","1.015","1.015","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007650","16.912","0.001","18.188","0.001","17.872","0.001","90","","91.009","0.004","90","","5496.5","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III)","","- C27 H29 Ce N2 O6 -","- C27 H11 Ce N2 O6 -","- C216 H88 Ce8 N16 O48 -","8","2","NA1347","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","Acta Crystallographica Section C","1998","54","9","1233","1236","10.1107/S0108270198003898","","","0.71073","MoKα","","0.105","0.053","","0.046","0.043","","","","1.49","1.835","1.835","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007651","9.515","0.001","21.086","0.009","14.978","0.002","90","","99.39","0.01","90","","2964.8","1.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","","- C27 H29 N2 O6 Pr -","- C27 H11 N2 O6 Pr -","- C108 H44 N8 O24 Pr4 -","4","1","NA1347","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","Acta Crystallographica Section C","1998","54","9","1233","1236","10.1107/S0108270198003898","","","0.71073","MoKα","","0.068","0.043","","0.051","0.045","","","","0.912","0.972","0.972","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007652","10.032","0.002","10.787","0.003","22.947","0.004","90","","90","","90","","2483.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3S,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.053","0.035","","0.07","0.066","","","","0.896","0.991","0.991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007653","6.237","0.001","18.928","0.002","21.321","0.003","90","","90","","90","","2517","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.101","0.052","","0.099","0.083","","","","1.013","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007654","9.041","0.001","11.242","0.001","11.637","0.001","65.482","0.005","66.853","0.005","73.376","0.005","978.75","0.17","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H60 N12 O6 P4 -","- C28 H60 N12 O6 P4 -","- C28 H60 N12 O6 P4 -","1","0.5","NA1358","Hökelek, Tuncer; Kılıç, Emïne; Kılıç, Zeynel","<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexamorpholinocyclo-2λ^5^, 4λ^5^, 6λ^5^, 8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1998","54","9","1295","1297","10.1107/S0108270198004260","","","0.71073","MoKα","","","0.073","","","0.084","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007655","7.537","0.001","16.928","0.001","10.292","0.001","90","","106.044","0.005","90","","1262","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C56 H52 N4 O4 S8 -","4","1","NA1362","Hökelek, Tuncer; Gündüz, Hüseyin; Patır, Süleyman; Nesimi Uludağ","Spiro[carbazole-1(2<i>H</i>),2'-[1,3]dithiolan]-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1297","1299","10.1107/S0108270198005083","","","0.71073","MoKα","","","0.04","","","0.046","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007656","5.4313","0.0005","45.18","0.003","5.0355","0.0005","92.924","0.006","92.317","0.008","92.088","0.006","1232.11","0.19","293.2","","293.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C48 H84 N4 O6 -","2","1","OA1032","Amai, Makoto; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa; Nakagaki, Masayuki","1:1 Complex of Octadecanoic Acid and 3-Pyridinecarboxamide","Acta Crystallographica Section C","1998","54","9","1367","1369","10.1107/S0108270197019227","","","1.5418","CuKα","","0.064","0.042","","0.056","0.053","","","","2.427","2.428","2.428","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007657","26.965","0.006","26.965","0.006","10.933","0.002","90","","90","","120","","6884","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","4-(p-hydroxyphenyl)-2,2,4-trimethylchroman","4-(2,2,4-trimethylchroman-4-yl)phenol","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","OA1044","Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji","`Guest-Free' Dianin's Compound","Acta Crystallographica Section C","1998","54","9","1357","1360","10.1107/S010827019800451X","","","1.5405","CuKα","","0.049","0.037","","0.101","0.092","","","","1.038","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007658","23.138","0.005","11.22","0.002","6.882","0.001","90","","93.94","0.02","90","","1782.4","0.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","OA1045","Hajime Irikawa; Kinya Iijima","2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione","Acta Crystallographica Section C","1998","54","9","1318","1320","10.1107/S0108270198003333","","","0.71073","MoK~α~","","","0.0669","","","","0.0694","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007659","10.892","0.006","15.82","0.01","8.223","0.003","90","","98.55","0.04","90","","1401.2","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15(1),17-diene-16,19-dione","","- C14 H18 O7 -","- C14 H18 O7 -","- C56 H72 O28 -","4","1","OA1046","Akihiko Tsuda; Tatsuya Kawamoto; Takumi Oshima","2,3-Benzoquino[15]crown-5","Acta Crystallographica Section C","1998","54","9","1362","1364","10.1107/S010827019800287X","","","0.71073","MoKα","","","0.061","","","0.063","","","","","1.316","1.316","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007660","28.021","0.005","17.118","0.004","12.11","0.002","90","","90.44","0.02","90","","5809","2","295","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-methylenebis(dicyclohexylphosphine)- P:P']bis[chloropalladium(I)](Pd—Pd) Bis(acetonitrile) Solvate","","- C54 H98 Cl2 N2 P4 Pd2 -","- C54 H98 Cl2 N2 P4 Pd2 -","- C216 H392 Cl8 N8 P16 Pd8 -","4","1","OA1051","Hashioka, Miho; Sakai, Ken; Tsubomura, Taro","Bis[μ-methylenebis(dicyclohexylphosphine)-<i>P</i>:<i>P</i>']bis[chloropalladium(I)](<i>Pd</i>—<i>Pd</i>) Diacetonitrile Solvate","Acta Crystallographica Section C","1998","54","9","1244","1247","10.1107/S0108270198004521","","","0.71069","MoKα","","0.16","0.064","","0.184","0.121","","","","1.034","1.069","1.069","","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007661","11.776","0.006","3.918","0.002","10.189","0.007","90","","100.59","0.04","90","","462.1","0.5","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3 O13 V6 -","- Li4 O13 V6 -","- Li8 O26 V12 -","2","0.25","OS1007","Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.","Electrochemically Lithiated Vanadium Oxide, Li~3~V~6~O~13~","Acta Crystallographica Section C","1998","54","9","1204","1206","10.1107/S0108270198004211","","","0.71073","MolybdenumKᾱ","","0.095","0.095","","0.082","0.082","","","","1.69","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007662","7.5815","0.0008","9.9861","0.0009","10.2413","0.0012","78.417","0.009","88.559","0.009","71.491","0.008","719.66","0.14","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N6 O12 -","- C26 H24 Co N6 O12 -","- C26 H24 Co N6 O12 -","1","0.5","OS1013","Hökelek, Tuncer; Necefoğlu, Hacalı","<i>trans</i>-Diaquabis(nicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1998","54","9","1242","1244","10.1107/S0108270198004533","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007663","9.92","0.002","10.631","0.002","19.413","0.004","90","","92.35","0.03","90","","2045.6","0.7","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","Octakis(dimethylsulfoxide-O)gadolinium(III) hexacyanoferrate(III)","","","- C22 H48 Fe Gd N6 O8 S8 -","- C22 H48 Fe Gd N6 O8 S8 -","- C44 H96 Fe2 Gd2 N12 O16 S16 -","2","0.5","OS1014","Martti Klinga; Rafael Cuesta; José María Moreno; José Manuel Dominguez-Vera; Enrique Colacio; Raikko Kivekäs","Octakis(dimethyl sulfoxide-<i>O</i>)gadolinium(III) Hexacyanoferrate(III)","Acta Crystallographica Section C","1998","54","9","1275","1277","10.1107/S0108270198004545","","","0.71073","MoKα","","0.065","0.052","","0.121","0.116","","","","1.169","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007664","18.116","0.002","18.601","0.002","18.503","0.003","90","","95.87","0.01","90","","6202.4","1.4","294.2","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ce H60 Na8 O66 W10 -","- Ce Na8 O66 W10 -","- Ce4 Na32 O264 W40 -","4","0.5","QA0047","Rosu, Cristina; Weakley, Timothy J. R.","Redetermination of Sodium [Bis(pentatungstato)cerate(IV)](8 ‒) 30-Hydrate, Na~8~[Ce(W~5~O~18~)~2~].30H~2~O","Acta Crystallographica Section C","1998","54","9","IUC9800047","","10.1107/S0108270198099363","","","0.71073","MoKα","","","0.047","","","0.055","","","","","","","2.14","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007665","9.1202","0.0005","14.743","0.0008","17.7793","0.0009","90","","102.389","0.001","90","","2334.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(N,N,N',N'-Tetramethylethylenediamine-N,N')bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)","","- C16 H18 F12 Fe N2 O4 -","- C16 H18 F12 Fe N2 O4 -","- C64 H72 F48 Fe4 N8 O16 -","4","0.5","QA0049","Dickman, Michael H.","(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine-<i>N</i>,<i>N</i>')bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II)","Acta Crystallographica Section C","1998","54","9","IUC9800048","","10.1107/S010827019809934X","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007666","14.028","0.001","8.6312","0.0006","20.615","0.002","90","","108.21","0.01","90","","2371","0.4","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-n-butylammonium Bis(1,1-dicyanoethylene-2,2-dithiolato)nickelate(II)","","- C40 H72 N6 Ni S4 -","- C40 H72 N6 Ni S4 -","- C80 H144 N12 Ni2 S8 -","2","0.5","QB0057","Dong, Gang; Fronczek, Frank R.; Watkins, Steven F.; Bernal, Ivan","Bis(tetra-<i>n</i>-butylammonium) Bis(1,1-dicyanoethylene-2,2-dithiolato)nickelate(II)","Acta Crystallographica Section C","1998","54","9","IUC9800045","","10.1107/S0108270198099351","","","1.54184","CuKα","","","0.061","","","0.057","","","","","1.447","1.447","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007667","7.822","0.001","7.822","0.001","7.822","0.001","90","","90","","90","","478.58","0.11","173","2","173","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Strontium Nitrate","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","QB0061","El-Bali, Brahim; Bolte, Michael","Sr(NO~3~)~2~ at 173K","Acta Crystallographica Section C","1998","54","9","IUC9800046","","10.1107/S0108270198099375","","","0.71073","MoKα","","0.0292","0.0226","","","","0.0549","","","","","","1.246","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007669","9.9403","0.0006","25.4021","0.0014","10.587","0.0005","90","","91.808","0.005","90","","2671.9","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S,5R)-(-)-2-(1H-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C112 H136 N24 O8 -","8","4","SK1179","Gallagher, John F.; Briody, John M.; Cantwell, Brendan P.","N—H···N Hydrogen Bonding in the Four Independent Molecules of (2<i>S</i>,4<i>S</i>,5<i>R</i>)-({-})-2-(1<i>H</i>-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine, with C-H···π~arene~, C-H···O and C-H···π~C=C~ Interactions","Acta Crystallographica Section C","1998","54","9","1331","1335","10.1107/S0108270198004089","","","0.71073","MoKα","","0.068","0.038","","","","0.088","","","","","","1.009","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007670","6.189","0.001","10.614","0.001","16.16","0.001","90","","100.993","0.004","90","","1042.1","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-phenyl-1-[(2S)-(3,5-dinitrobenzoyloxy)-propyl]-(2R)-methyl cyclopentane","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","SK1180","Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy","Dinitrobenzoate Derivative of a Chiral Arylcyclopentane","Acta Crystallographica Section C","1998","54","9","1353","1355","10.1107/S0108270198004090","","","1.54178","CuKα","","0.045","0.044","","","","0.116","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007671","6.184","0.002","17.787","0.004","11.746","0.002","90","","91.65","0.02","90","","1291.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-O-benzoyl-myo-inositol-1,3,5-orthoformate","","- C14 H14 O7 -","- C14 H14 O7 -","- C56 H56 O28 -","4","1","SX1052","Samanta, Uttamkumar; Puranik, Vedavati G.; Chakrabarti, Pinak; Thoniyot, Praveen; Shashidhar, Mysore S.","2-<i>O</i>-Benzoyl-<i>myo</i>-inositol-1,3,5-orthoformate","Acta Crystallographica Section C","1998","54","9","1289","1291","10.1107/S0108270197017721","","","0.71073","MoKα","","0.0773","0.0679","","0.2223","0.2115","","","","1.082","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007672","15.638","0.003","8.65","0.002","15.778","0.002","90","","98.503","0.014","90","","2110.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)- trien-17β-yl Acetate","","- C24 H26 Cl N O3 -","- C24 H26 Cl N O3 -","- C96 H104 Cl4 N4 O12 -","4","2","SX1056","Bull, James R.; de Koning, Pieter D.","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)-trien-17β-yl Acetate","Acta Crystallographica Section C","1998","54","9","1281","1282","10.1107/S0108270198000584","","","0.71069","MoKα","","0.1568","0.064","","0.161","0.151","","","","0.972","1.299","1.299","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007673","17.9713","0.0012","5.6693","0.0009","13.9522","0.0011","90","0.001","126.87","0.0006","90","0.0011","1137.2","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ethylenediammonium bis(monohydrogenoxalate) monohydrate","","- C6 H14 N2 O9 -","- C6 H14 N2 O9 -","- C24 H56 N8 O36 -","4","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71069","MoKα","","0.0746","0.0447","","","","0.1199","","","","","","1.064","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007674","6.7954","0.0008","16.1594","0.0013","5.6307","0.001","90","","90","","90","","618.3","0.14","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate (β-form)","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C14 H32 N4 O18 -","2","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71073","MoKα","","0.052","0.0356","","","","0.1019","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007675","14.6727","0.0019","7.3876","0.0006","11.3348","0.0018","90","","90","","90","","1228.6","0.3","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C28 H64 N8 O36 -","4","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71079","MoKα","","0.0538","0.0367","","","","0.108","","","","","","0.982","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007676","7.9808","0.0007","11.72","0.001","16.468","0.001","90","","90","","90","","1540.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","TA1201","White, Jonathan M.; Clark, Christopher I.","2-(4-Bromo-2-nitrophenyl)-1-(4-dimethylaminophenyl)-1-ethanone","Acta Crystallographica Section C","1998","54","9","1304","1306","10.1107/S0108270198003989","","","1.5418","CuKα","","0.0768","0.0482","","","","0.1296","","","","","","1.037","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007677","6.4274","0.001","11.826","0.002","17.616","0.002","90","","90","","90","","1339","0.3","122.4","0.5","122.4","0.5","","","","","","","","4","P n a m","-P 2c 2n","62","methylammonium hydrogen maleate","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","AB1534","Madsen, Dennis; Larsen, Sine","Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion","Acta Crystallographica Section C","1998","54","10","1507","1511","10.1107/S0108270198003606","","","0.71073","MoKα","","0.074","0.05","","0.075","0.072","","","","2.203","2.439","2.439","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007678","8.4738","0.0008","8.3444","0.0013","11.5727","0.001","90","","98.729","0.008","90","","808.81","0.16","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dimethylammonium hydrogen maleate","","","- C6 H11 N O4 -","- C6 H11 N O4 -","- C24 H44 N4 O16 -","4","1","AB1534","Madsen, Dennis; Larsen, Sine","Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion","Acta Crystallographica Section C","1998","54","10","1507","1511","10.1107/S0108270198003606","","","0.71073","MoKα","","0.082","0.054","","0.076","0.072","","","","2.187","2.471","2.471","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007679","12.617","0.0011","13.5333","0.0015","18.8645","0.0016","79.129","0.012","79.32","0.01","73.004","0.011","2995.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 Si3 -","- C30 H42 Si3 -","- C120 H168 Si12 -","4","2","AB1538","Teng, Zhu; Stoeckli-Evans, Helen; Keese, Reinhart","A Tricyclic Trisiladiene","Acta Crystallographica Section C","1998","54","10","1473","1475","10.1107/S0108270198004661","","","0.71073","MoKα","","0.0797","0.0461","","","","0.1291","","","","","","0.86","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007680","25.601","0.008","12.694","0.003","18.153","0.005","90","","107.608","0.012","90","","5623","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dekakis(acetato)bis(μ~4~-oxo)tetrakis(piridine) dimanganese(III)tetramanganese(II) pyridine solvate","","- C45 H55 Mn6 N5 O22 -","- C44 H54 Mn6 N6 O22 -","- C176 H216 Mn24 N24 O88 -","4","0.5","AV1019","Karsten, Peter; Strähle, Joachim","Deca-μ-acetato-di-μ~4~-oxo-tetra(pyridine-<i>N</i>)dimanganese(III)tetramanganese(II) Pyridine Solvate","Acta Crystallographica Section C","1998","54","10","1403","1406","10.1107/S0108270198005861","","","0.71073","MoKα","","0.072","0.052","","0.148","","0.128","","","1.126","","","1.104","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007681","7.2582","0.0014","9.585","0.002","15.47","0.003","93.626","0.012","101.703","0.011","101.479","0.01","1026.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(chloro)tetrakis(pyridine)iron(II) Di(1,8-diazabicyclo[5.4.0]undec-7-ene hydrochloride)","","- C38 H54 Cl4 Fe N8 -","- C38 H54 Cl4 Fe N8 -","- C38 H54 Cl4 Fe N8 -","1","0.5","AV1020","Karsten, Peter; Strähle, Joachim","Bis(1,8-diazabicyclo[5.4.0]undec-7-en-8-ium) <i>trans</i>-Dichlorotetra(pyridine-<i>N</i>)iron(II) Dichloride","Acta Crystallographica Section C","1998","54","10","1406","1408","10.1107/S0108270198005873","","","1.5418","CuKα","","0.06","0.054","","0.161","","0.154","","","1.117","","","1.128","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007682","6.585","0.001","11.066","0.002","14.207","0.003","90","","101.45","0.03","90","","1014.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-cyano-6-phenylpyridine","","- C12 H7 Cl N2 -","- C12 H7 Cl N2 -","- C48 H28 Cl4 N8 -","4","1","AV1021","Cyrañski, Michal K.; Mieczkowski, Jȯzef","2-Chloro-3-cyano-6-phenylpyridine","Acta Crystallographica Section C","1998","54","10","1521","1523","10.1107/S0108270198006015","","","1.54178","CuKα","","0.064","0.05","","0.163","0.132","","","","1.032","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007683","10.326","0.001","8.67","0.001","10.72","0.001","90","","94.93","0.01","90","","956.17","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.058","0.023","","0.0457","0.043","","","","0.6","0.809","0.809","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007684","10.314","0.001","8.587","0.001","10.71","0.001","90","","94.95","0.01","90","","945.01","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0651","0.0269","","0.0473","0.0441","","","","0.759","0.959","0.959","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007685","10.312","0.001","8.457","0.001","10.683","0.001","90","","94.935","0.009","90","","928.2","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0638","0.0261","","0.0498","0.046","","","","0.785","0.973","0.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007686","10.4","0.001","8.089","0.001","10.658","0.001","90","","94.804","0.009","90","","893.46","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0528","0.0242","","0.0458","0.0432","","","","0.659","0.852","0.852","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007687","10.443","0.001","7.857","0.001","10.601","0.001","90","","94.57","0.01","90","","867.05","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0517","0.025","","0.049","0.0466","","","","0.7","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007688","10.457","0.001","7.619","0.001","10.477","0.001","90","","94.126","0.01","90","","832.56","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0468","0.0242","","0.0486","0.0467","","","","0.71","0.881","0.881","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007689","12.03","0.002","13.652","0.003","15.462","0.003","87.91","0.03","77.62","0.03","72.56","0.03","2365.3","0.9","160","","160","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Fe3 N8 Ni2 S8 -","- C46 H30 Fe3 N8 Ni2 S8 -","- C92 H60 Fe6 N16 Ni4 S16 -","2","1","BK1370","Day, Michael W.; Qin, Jingui; Yang, Chuluo","Ferrocene, Ferrocenium and a Bis(maleonitriledithiolate) Complex of Nickel","Acta Crystallographica Section C","1998","54","10","1413","1416","10.1107/S0108270198002340","","","0.71073","MoKα","","0.049","0.035","","0.069","","0.064","","","1.44","","","1.5","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007690","10.4968","0.0009","13.5","0.001","15.626","0.001","90","","96.986","0.006","90","","2197.9","0.3","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C96 H72 Cl4 N4 O24 S4 -","4","1","BK1376","Nancy N. Tsou; Richard G. Ball; Patrick J. Roy; Yves Leblanc","4-Chloro-2-{4-[<i>p</i>-(methylsulfonyl)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1,3-oxazol-3-yl}phenyl Acetate","Acta Crystallographica Section C","1998","54","10","1493","1494","10.1107/S0108270198003928","","","1.54184","CuKα","","","0.049","","","0.128","","","","","1.026","1.026","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2007691","11.5036","0.0006","12.8861","0.0006","14.8388","0.0009","102.351","0.004","98.342","0.005","103.493","0.004","2044.9","0.2","297","","","","","","","","","","","5","P -1","-P 1","2","","pyridine [2-{1-methoxy-2-acetyl-2-(ethoxycarbonyl)} ethyl-8-quinolinol-C,N, O] palladium(II)","","- C22 H22 N2 O5 Pd -","- C22 H22 N2 O5 Pd -","- C88 H88 N8 O20 Pd4 -","4","2","BK1380","Billodeaux, Damon R.; Fronczek, Frank R.; Yoneda, Akio; Newkome, George R.","[2-(2-Acetyl-2-ethoxycarbonyl-1-methoxyethyl)-8-quinolinolato-<i>C</i>,<i>N</i>,<i>O</i>](pyridine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1998","54","10","1439","1441","10.1107/S0108270198005538","","","0.71073","MoKα","","","0.045","","","0.048","","","","","2.26","2.26","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007692","14.489","0.0002","14.489","0.0002","21.5432","0.0003","90","","90","","90","","4522.59","0.11","295","","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","octakis-tetramethylammonium acetate,docosavanadate hydrate","","- C34 H107.5 N8 O60.25 V22 -","- C34 H48 N8 O60.26 V22 -","- C68 H96 N16 O120.52 V44 -","2","0.25","BK1386","Chirayil, Thomas; Zavalij, Peter Y.; Whittingham, M. Stanley","The Inserting Host‒Guest System in [N(CH~3~)~4~]~8~[(CH~3~COO)V~22~O~54~].4.25H~2~O","Acta Crystallographica Section C","1998","54","10","1441","1444","10.1107/S0108270198006404","","","0.71073","MoKα","","","0.052","","","0.076","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007693","11.479","0.002","12.828","0.002","22.475","0.003","89.04","0.01","84.8","0.01","69.19","0.01","3080.4","0.9","153","2","153.2","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H78 Cl2 F12 N6 O14 P2 Ru -","- C49 H78 Cl2 F12 N6 O14 P2 Ru -","- C98 H156 Cl4 F24 N12 O28 P4 Ru2 -","2","1","BK1387","Dong I. Yoon; Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14","Acta Crystallographica Section C","1998","54","10","1427","1431","10.1107/S010827019800554X","","","0.7107","MoKα","","0.068","0.047","","0.081","0.073","","","","1.292","1.89","1.89","","","","","has coordinates","202200","2020-10-21","18:00:00",""
"2007694","9.004","0.002","7.065","0.002","9.851","0.003","90","","97.96","0.02","90","","620.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxymethyl-4-methyl-2-oxazolidinone","","- C5 H9 N O3 -","- C5 H9 N O3 -","- C20 H36 N4 O12 -","4","1","BK1395","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Fleury, Jennifer R.; Maddox, Spencer D.","Two Oxazolidinone Derivatives","Acta Crystallographica Section C","1998","54","10","1529","1532","10.1107/S0108270198005654","","","0.71073","MoKα","","0.073","0.045","","0.122","0.106","","","","1.058","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007695","10.45","0.003","8.198","0.003","17.497","0.007","90","","106.85","0.03","90","","1434.6","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-ethyl-4-hydroxymethyl-2-oxazolidinone","","- C6 H11 N O3 -","- C6 H11 N O3 -","- C48 H88 N8 O24 -","8","1","BK1395","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Fleury, Jennifer R.; Maddox, Spencer D.","Two Oxazolidinone Derivatives","Acta Crystallographica Section C","1998","54","10","1529","1532","10.1107/S0108270198005654","","","0.71073","MoKα","","0.046","0.037","","0.103","0.096","","","","1.081","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007696","12.544","0.001","9.017","0.002","15.12","0.001","90","","110.54","0.01","90","","1601.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-di-η^5^-cyclopentadienyl-1,2-dinickela-closo-dodecaborane","","- C10 H20 B10 Ni2 -","- C10 H20 B10 Ni2 -","- C40 H80 B40 Ni8 -","4","1","BM1225","Jian-Min Dou; Chun-Hua Hu; Jian-Ming Gu; Yong Nie; Hai-Jun Yao; Ruo-Shui Jin; Pei-Ju Zheng","A <i>closo</i>-12-Vertex Dinickelaborane: [(η^5^-C~5~H~5~)~2~Ni~2~B~10~H~10~]","Acta Crystallographica Section C","1998","54","10","1418","1419","10.1107/S0108270198004077","","","0.71073","MoKα","","","0.0343","","","","0.0989","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007697","9.735","0.003","12.7753","0.0008","9.735","0.003","90","","110.58","0.002","90","","1133.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-crotonoyl-5,8-dihydro-1-naphthol","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BM1234","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)","Acta Crystallographica Section C","1998","54","10","1496","1499","10.1107/S0108270198005599","","","0.71073","MoKα","","0.072","0.051","","0.134","0.118","","","","1.096","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007698","12.2964","0.0002","16.2109","0.0003","7.8517","0.0002","90","","103.197","0.002","90","","1523.79","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1-naphthoyl)-5,8-dihydro-1-naphthol","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BM1234","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)","Acta Crystallographica Section C","1998","54","10","1496","1499","10.1107/S0108270198005599","","","0.71073","MoKα","","0.149","0.059","","0.134","0.101","","","","1.005","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007699","14.131","0.003","8.281","0.002","15.473","0.003","90","","108.36","0.02","90","","1718.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,10aRS)-3-Imino-1-(2-thienyl)-1,2,3,9,10,10a-hexahydrophenanthrene-2,2,4- tricarbonitrile","","- C21 H14 N4 S -","- C21 H14 N4 S -","- C84 H56 N16 S4 -","4","1","BM1245","Elgemeie, Galal E. H.; Farag, Dalia S.; Jones, Peter G.","(1<i>RS</i>,10a<i>RS</i>)-3-Imino-1-(2-thienyl)-1,2,3,9,10,10a-hexahydrophenanthrene-2,2,4-tricarbonitrile","Acta Crystallographica Section C","1998","54","10","1466","1468","10.1107/S0108270198005022","","","0.71073","MoKα","","0.108","0.043","","0.078","0.065","","","","0.791","0.979","0.979","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007700","11.017","0.003","11.511","0.003","14.292","0.003","100.61","0.02","103.52","0.02","117.69","0.02","1467.4","0.8","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","trans-1,3-Diethoxy-5,5-dimethyl-1,3-diphospha-5-silacyclohexane-1,3-dione","","- C9 H22 O4 P2 Si -","- C9 H22 O4 P2 Si -","- C36 H88 O16 P8 Si4 -","4","2","BM1247","Jones, Peter G.; Weinkauf, Andreas","<i>trans</i>-1,3-Diethoxy-5,5-dimethyl-1,3-diphospha-5-silacyclohexane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1449","1451","10.1107/S0108270198006337","","","0.71073","MoKα","","0.039","0.032","","0.089","0.084","","","","1.044","1.059","1.059","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007701","7.313","0.002","9.028","0.002","18.61","0.005","90","","97.34","0.02","90","","1218.6","0.5","178","2","178","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","","- C8 H18 O4 P2 -","- C8 H18 O4 P2 -","- C32 H72 O16 P8 -","4","1","BM1249","Jones, Peter G.; Fischer, Axel K.","<i>cis</i>- and <i>trans</i>-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1451","1453","10.1107/S0108270198006349","","","0.71073","MoKα","","0.058","0.04","","0.121","0.103","","","","1.032","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007702","7.431","0.002","18.715","0.005","17.183","0.006","90","","99.06","0.03","90","","2359.8","1.2","178","2","178","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","","- C8 H18 O4 P2 -","- C8 H18 O4 P2 -","- C64 H144 O32 P16 -","8","2","BM1249","Jones, Peter G.; Fischer, Axel K.","<i>cis</i>- and <i>trans</i>-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1451","1453","10.1107/S0108270198006349","","","0.71073","MoKα","","0.059","0.038","","0.105","0.09","","","","1.053","1.046","1.046","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007703","25.108","0.01","10.954","0.005","8.547","0.004","90","","94.82","0.04","90","","2342.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane","","- C7 H16 O5 P2 -","- C7 H16 O5 P2 -","- C56 H128 O40 P16 -","8","1","BM1250","Jones, Peter G.; Weinkauf, Andreas","<i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione","Acta Crystallographica Section C","1998","54","10","1453","1456","10.1107/S0108270198006155","","","0.71073","MoKα","","0.047","0.036","","0.105","0.096","","","","1.031","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007704","9.058","0.002","15.312","0.003","8.27","0.002","90","","90","","90","","1147","0.4","178","2","178","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane","","- C7 H16 O5 P2 -","- C7 H16 O5 P2 -","- C28 H64 O20 P8 -","4","1","BM1250","Jones, Peter G.; Weinkauf, Andreas","<i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione","Acta Crystallographica Section C","1998","54","10","1453","1456","10.1107/S0108270198006155","","","0.71073","MoKα","","0.036","0.03","","0.08","0.076","","","","1.027","1.033","1.033","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007705","9.887","0.002","12.666","0.003","20.345","0.004","90","","102.78","0.02","90","","2484.7","0.9","178","2","178","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Difluoromethane-bis(diisopropylphosphonite)}tetracarbonylmolybdenum(0)","","- C17 H28 F2 Mo O8 P2 -","- C17 H28 F2 Mo O8 P2 -","- C68 H112 F8 Mo4 O32 P8 -","4","1","BM1251","Jones, Peter G.","Tetracarbonyl[difluoromethylenebis(diisopropoxyphosphine-<i>P</i>)]molybdenum(0)","Acta Crystallographica Section C","1998","54","10","1447","1448","10.1107/S0108270198005885","","","0.71073","MoKα","","0.038","0.027","","","","0.072","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007706","13.756","0.002","8.9663","0.0014","11.6831","0.0018","90","","99.828","0.01","90","","1419.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[Ethanediylbis(aminomethylene)]bis(pentane-2,4-dione)","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","0.5","BM1271","König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.","3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product","Acta Crystallographica Section C","1998","54","10","1468","1471","10.1107/S0108270198009263","","","0.71073","MoKα","","0.066","0.04","","0.093","0.087","","","","0.909","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007707","8.542","0.003","9.406","0.003","30.213","0.008","90","","90","","90","","2427.5","1.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[{6,13-diacetyl-5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca- 4,6,11,13-tetraenato(2-)}nickel(II)] deuterochloroform solvate (1:2)","","- C18 H22 Cl6 D2 N4 Ni O2 -","- C18 H24 Cl6 N4 Ni O2 -","- C72 H96 Cl24 N16 Ni4 O8 -","4","1","BM1271","König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.","3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product","Acta Crystallographica Section C","1998","54","10","1468","1471","10.1107/S0108270198009263","","","0.71073","MoKα","","0.036","0.031","","","","0.069","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007708","12.414","0.003","11.891","0.003","9.062","0.002","90","","94.23","0.02","90","","1334","0.6","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2;4,5-Di-O-isopropylidene-galactitol","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","BM1272","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","1,2:4,5-Di-<i>O</i>-isopropylidenegalactitol","Acta Crystallographica Section C","1998","54","10","1471","1473","10.1107/S0108270198009275","","","0.71073","MoKα","","0.106","0.058","","","","0.118","","","","","","1.063","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007709","7.664","0.002","7.664","0.002","10.241","0.002","90","","90","","90","","601.5","0.3","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Disodium Europium Zinc Diphosphate","Disodium Europium Zinc Diphosphate","","- Eu0.02 Na1.94 O7 P2 Zn -","- Eu0.017 Na1.948 O7 P2 Zn -","- Eu0.068 Na7.792 O28 P8 Zn4 -","4","0.25","BR1194","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate","Acta Crystallographica Section C","1998","54","10","1373","1376","10.1107/S0108270198006246","","","0.71073","MoKα","","0.083","0.059","","","0.137","0.137","","","","1.229","1.229","1.229","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007710","7.656","0.001","7.656","0.001","10.233","0.002","90","","90","","90","","599.8","0.16","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Disodium Zinc Diphosphate","Disodium Zinc Diphosphate","","- Na2 O7 P2 Zn -","- Na2 O7 P2 Zn -","- Na8 O28 P8 Zn4 -","4","0.25","BR1194","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate","Acta Crystallographica Section C","1998","54","10","1373","1376","10.1107/S0108270198006246","","","0.71073","MoKα","","0.052","0.039","","","0.102","0.102","","","","1.113","1.113","1.113","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007711","13.196","0.002","13.196","0.002","7.943","0.003","90","","90","","120","","1197.8","0.5","183","","183","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Potassium pentasilver trisulfide","","- Ag5 K S3 -","- Ag5 K S3 -","- Ag30 K6 S18 -","6","0.5","BR1202","Emirdag, Mehtap; Schimek, George L.; Kolis, Joseph W.","KAg~5~S~3~","Acta Crystallographica Section C","1998","54","10","1376","1378","10.1107/S0108270198003680","","","0.71073","MoKα","","0.084","0.062","","0.069","0.04","","","","","2.71","2.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007712","9.617","0.002","10.209","0.002","12.721","0.003","90","","110.55","0.03","90","","1169.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Benzenediamine N-[(3-nitrophenyl)methylene]","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","CF1208","Yang, Qing-chuan; Tang, You-qi; Yang, Wen-jun; Chen, Hui-ying","<i>N</i>-(3-Nitrobenzylidene)-<i>p</i>-phenylenediamine","Acta Crystallographica Section C","1998","54","10","1532","1534","10.1107/S0108270198004818","","","0.71073","MoKα","","0.101","0.052","","","","0.159","","","","","","1.088","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007713","13.002","0.009","9.329","0.006","22.798","0.014","90","","95.21","0.05","90","","2754","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,2,5,6,dibenzofluorenone","13-H-Dibenzo[a,g]fluoren-13-one","","- C21 H12 O -","- C21 H12 O -","- C168 H96 O8 -","8","1","CF1248","Morris, David G.; Ryder, Karl S.; Howie, R. Alan","13<i>H</i>-Dibenzo[<i>a</i>,<i>g</i>]fluoren-13-one","Acta Crystallographica Section C","1998","54","10","1542","1544","10.1107/S0108270198006167","","","0.71073","MoKα","","0.101","0.052","","","","0.136","","","","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007714","11.4712","0.0008","12.3457","0.0008","20.582","0.002","90","","90","","90","","2914.8","0.4","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","CF1250","Brady, Fiona; Gallagher, John F.; Kenny, Peter T. M.","O—H···O, C—H···O and C—H···π~arene~ Intermolecular Interactions in (2<i>R</i>/2<i>S</i>)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid","Acta Crystallographica Section C","1998","54","10","1523","1525","10.1107/S0108270198005678","","","0.7107","MoKα","","0.085","0.041","","","","0.098","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007715","13.274","0.002","12.214","0.004","15.044","0.003","90","","110.606","0.014","90","","2283","1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,8-Dimethylphenoxathiin-10-oxide","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","2","CF1253","Bennett, Stephen R.; Kennedy, Alan R.; Khalaf, Abedawn I.; Waigh, Roger D.","2,8-Dimethylphenoxathiin 10-Oxide","Acta Crystallographica Section C","1998","54","10","1511","1513","10.1107/S0108270198005903","","","0.71069","MoKα","","0.107","0.058","","","","0.17","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007716","10.5933","0.0006","8.8517","0.0007","11.3495","0.0006","90","","91.606","0.004","90","","1063.81","0.12","287","2","287","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","10-bornanesulfonic acid 2-hydroxy-γ-sultone","endo-10,10-dimethyl-4-oxa-5-thiatricyclo[5.2.1.0^3,7^]decane-S,S-dioxide","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","CF1262","Muir, Kenneth W.; Rodger, Colin S.; Morris, David G.; Ryder, Karl S.","A Sultone Derived from Racemic Camphene","Acta Crystallographica Section C","1998","54","10","1546","1548","10.1107/S0108270198006179","","","0.71073","MoKα","","0.056","0.035","","0.11","0.095","","","","1.008","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007717","8.7171","0.0008","10.9766","0.0012","21.946","0.004","90","","90","","90","","2099.9","0.5","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gomisin N","1,2,3,12-tetramethoxy-6,7-dimethyl- 10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","DA1014","Marek, Jaromír; Slanina, Jiří","Gomisin N","Acta Crystallographica Section C","1998","54","10","1548","1550","10.1107/S0108270198006489","","","0.71073","MoKα","","0.055","0.036","","","","0.1","","","","","","0.955","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007718","22.7727","0.0004","38.3529","0.0007","9.631","0.0002","90","","90","","90","","8411.7","0.3","297","2","297","2","","","","","","","","3","F d d 2","F 2 -2d","43","calanone","","","- C27 H20 O5 -","- C27 H20 O5 -","- C432 H320 O80 -","16","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.039","0.034","","0.084","0.081","","","","1.036","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007719","6.0017","0.0003","27.3003","0.0013","12.8273","0.0006","90","","95.303","0.001","90","","2092.73","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isocalanone","","","- C27 H20 O5 -","- C27 H20 O5 -","- C108 H80 O20 -","4","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.08","0.049","","0.12","0.107","","","","1.053","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007720","9.0418","0.0005","16.7577","0.001","14.1879","0.0009","90","","106.315","0.001","90","","2063.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","teysmanone A","","","- C27 H20 O5 -","- C27 H20 O5 -","- C108 H80 O20 -","4","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.092","0.056","","0.128","0.114","","","","1.057","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007721","7.074","0.001","11.052","0.001","15.086","0.002","90.22","0.01","91.85","0.01","105.37","0.01","1136.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","potassium(benzo-15-crown-5)picrate","[Potassium(2,3-benzo-1,4,7,10,13-pentaoxacyclopenta-dec-2-ene)picrate]","","- C20 H22 K N3 O12 -","- C20 H22 K N3 O11.98 -","- C40 H44 K2 N6 O23.96 -","2","1","FG1402","Dong, Wenkui; Yang, Rudong; Yu, Kaibei","<i>catena</i>-Poly[[(2,3-benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene-κ^5^<i>O</i>)potassium]-μ-(picrato-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^5^)]","Acta Crystallographica Section C","1998","54","10","1416","1418","10.1107/S0108270198003151","","","0.71073","MoKα","","0.062","0.048","","0.146","0.139","","","","1.1","1.203","1.203","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007722","13.18","0.002","13.555","0.003","13.267","0.002","90","","118.23","0.02","90","","2088.3","0.8","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-1,16-distanna-3,14,18,29- tetrasila(5,5)ferrocenophane","","- C36 H60 Fe2 Si4 Sn2 -","- C36 H60 Fe2 Si4 Sn2 -","- C72 H120 Fe4 Si8 Sn4 -","2","0.5","FG1430","Olivier Gausset; Guylaine Delpon-Lacaze; Markus Schürmann; Klaus Jurkschat","1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-3,14,18,29-tetrasila-1,16-distanna[5.5]ferrocenophane","Acta Crystallographica Section C","1998","54","10","1425","1427","10.1107/S0108270198006088","","","0.71069","MoKα","","0.034","0.022","","0.054","0.05","","","","1.054","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007723","8.207","0.002","17.445","0.002","11.151","0.001","90","","93.69","0.01","90","","1593.2","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-aminoisophthalic acid hemihydrate","","","- C8 H8 N O4.5 -","- C8 H8 N O4.5 -","- C64 H64 N8 O36 -","8","1","FG1449","Dobson, Allison J.; Gerkin, Roger E.","5-Aminoisophthalic Acid Hemihydrate","Acta Crystallographica Section C","1998","54","10","1503","1505","10.1107/S0108270198005915","","","0.71073","MoKα","","","0.043","","","0.074","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007724","7.2501","0.0005","22.917","0.0002","9.1648","0.0007","90","","92.443","0.009","90","","1521.35","0.16","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 I6 N2 Pd2 S4 -","- C12 H26 Cl2 I6 N2 Pd2 S4 -","- C24 H52 Cl4 I12 N4 Pd4 S8 -","2","0.5","FG1461","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Dichloro(μ-[18]aneN~2~S~4~)dipalladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","10","1408","1410","10.1107/S0108270198005927","","","0.71073","MoKα","","0.051","0.035","","","","0.087","","","","","","1.03","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007725","10.005","0.002","16.556","0.002","3.927","0.001","90","","99.26","0.01","90","","642","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 S2 -","- C16 H6 S2 -","- C32 H12 S4 -","2","0.5","FR1072","Sarkar, Abhijit; Komatsu, Kyoji; Okada, Shuji; Matsuda, Hiro; Nakanishi, Hachiro","1,8-Bis(2-thienyl)-1,3,5,7-octatetrayne","Acta Crystallographica Section C","1998","54","10","1519","1521","10.1107/S0108270198005605","","","0.71073","MoKα","","","0.074","","","0.056","","","","","1.805","1.805","","","","","has coordinates,has disorder","200209","2020-10-21","18:00:00",""
"2007726","5.9103","0.0004","28.2842","0.0019","5.0635","0.0003","90","","93.975","0.007","90","","844.42","0.1","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","S,S-trans-2,3-tetralindiol","(S,S)-trans-1,2,3,4-tetrahydro-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","FR1110","Michael A. Lloyd; Garth E. Patterson; Brock, Carolyn Pratt","(<i>S</i>,<i>S</i>)-<i>trans</i>-2,3-Tetralindiol","Acta Crystallographica Section C","1998","54","10","1486","1488","10.1107/S010827019800537X","","","0.71073","MoKα","","0.069","0.031","","0.076","0.065","","","","1.021","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007727","19.862","0.001","21.301","0.001","9.758","0.001","90","","90","","90","","4128.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","2","HA1213","Chitra Samanta; Alok Kumar Mukherjee; Monika Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-ethyltriazene 1-Oxide","Acta Crystallographica Section C","1998","54","10","1544","1546","10.1107/S0108270198003862","","","1.54178","CuKα","","0.0811","0.0489","","0.1342","0.1211","","","","0.948","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007728","8.4255","0.0002","8.5771","0.0002","14.5531","0.0002","89.692","0.001","85.374","0.002","61.295","0.001","918.78","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,6-dihydroxy-4-(6'-hydroxy-2',4'-dimethoxy-3'-methylbenzoyloxy)-3- methylbenzoate","","- C19 H20 O9 -","- C19 H20 O9 -","- C38 H40 O18 -","2","1","HA1218","Kan Chantrapromma; Rapeeporn Sortiruk; Suchada Chantrapromma; Chanita Ponglimanont; Hoong-Kun Fun; Kandasamy Chinnakali","Methyl 2,6-Dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyloxy)-3-methylbenzoate","Acta Crystallographica Section C","1998","54","10","1494","1496","10.1107/S0108270198005058","","","0.71073","MoKα","","0.0667","0.0492","","0.1493","0.1313","","","","1.054","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007729","17.298","0.001","10.738","0.001","12.453","0.001","90","","95.43","0.01","90","","2302.7","0.3","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-t-butyl cis-transoid-cis-perhydro-3,3,6,6-tetramethyl-1,4- dioxocyclobuta[1,2-c:3,4-c']-dipyrrole-2,5-dicarboxylate","","- C22 H34 N2 O6 -","- C22 H34 N2 O6 -","- C88 H136 N8 O24 -","4","0.5","JZ1280","Kopf, Jürgen; Wrobel, Matthias Nils; Margaretha, Paul","The 3,3,6,6-Tetramethyl <i>cis</i>-<i>transoid</i>-<i>cis</i>-Photocyclodimer of <i>tert</i>-Butyl 2,5-Dihydro-5,5-dimethyl-2-oxo-1<i>H</i>-pyrrole-1-carboxylate","Acta Crystallographica Section C","1998","54","10","1499","1501","10.1107/S0108270198005344","","","1.54178","CuKα","","0.045","0.045","","","","0.114","","","","","","1.078","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007730","12.386","0.002","11.732","0.002","12.845","0.002","90","","112.08","0.01","90","","1729.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(diisopropylammonium) hexafluorosilicate(IV)","","- C12 H32 F6 N2 Si -","- C12 H32 F6 N2 Si -","- C48 H128 F24 N8 Si4 -","4","0.5","JZ1289","Reiß, Guido J.","Bis(diisopropylammonium) Hexafluorosilicate(IV)","Acta Crystallographica Section C","1998","54","10","1489","1491","10.1107/S010827019800609X","","","0.71073","MoKα","","0.042","0.03","","","","0.076","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007731","11.0034","0.0002","27.2848","0.0004","6.7194","0.0001","90","","90","","90","","2017.34","0.06","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","1,1-Bis-(N-Methylimidazol)-silacyclohexane dibromide acetonitrile solvate","","- C15 H25 Br2 N5 Si -","- C15 H25 Br2 N5 Si -","- C60 H100 Br8 N20 Si4 -","4","1","JZ1295","Hensen, Karl; Gebhardt, Frank; Bolte, Michael","3,3'-(1-Silacyclohexane-1,1-diyl)bis(1-methylimidazolium) Dibromide Acetonitrile Solvate at 173K","Acta Crystallographica Section C","1998","54","10","1462","1464","10.1107/S0108270198006763","","","0.71073","MoKα","","0.073","0.065","","0.172","0.164","0.172","","","1.01","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007732","11.711","0.001","11.711","0.001","11.696","0.001","90","","90","","90","","1604.1","0.2","298","2","298","2","","","","","","","","6","I -4 2 m","I -4 2","121","Tetrabetainecopper(II) perchlorate","Tetrakis(trimethylammonioacetato-O)copper(II) diperchlorate","","- C20 H44 Cl2 Cu N4 O16 -","- C20 H44 Cl2 Cu N4 O16 -","- C40 H88 Cl4 Cu2 N8 O32 -","2","0.125","KA1268","Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang","Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate","Acta Crystallographica Section C","1998","54","10","1389","1393","10.1107/S010827019800523X","","","0.71073","MoKα","","0.034","0.034","","","","0.087","","","","","","0.936","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007733","12.6528","0.0008","25.849","0.001","5.7717","0.0004","90","","102.626","0.004","90","","1842.06","0.19","298","2","298","2","","","","","","","","7","C 1 m 1","C -2y","8","Sodium tetrabetainecopper(II) perchlorate","Perchlorato-2κO-bis(μ-trimethylammonioacetato)-1:2κ^4^O- bis(trimethylammonioacetato)-1κ^2^O-coppersodium diperchlorate","","- C20 H44 Cl3 Cu N4 Na O20 -","- C20 H44 Cl3 Cu N4 Na O20 -","- C40 H88 Cl6 Cu2 N8 Na2 O40 -","2","0.5","KA1268","Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang","Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate","Acta Crystallographica Section C","1998","54","10","1389","1393","10.1107/S010827019800523X","","","0.71073","MoKα","","0.085","0.075","","","","0.195","","","","","","1.466","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007734","12.167","0.001","14.712","0.002","10.18","0.001","90","","103.48","0.01","90","","1772","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazole-N^3^)copper(II)-μ-aqua-μ- acetylenedicarboxylato-O:O']","","- C18 H14 Cu N4 O5 -","- C18 H14 Cu N4 O5 -","- C72 H56 Cu4 N16 O20 -","4","0.5","KA1272","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-acetylenedicarboxylato-<i>O</i>:<i>O</i>'-μ-aqua] and Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-aqua-μ-fumarato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","10","1431","1435","10.1107/S0108270198004880","","","0.71073","MoKα","","0.034","0.028","","","0.069","0.071","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007735","12.941","0.002","13.292","0.002","10.398","0.002","90","","100.09","0.01","90","","1760.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazole-N^3^)copper(II)-μ-aqua-μ-fumarato-O:O']","","- C18 H16 Cu N4 O5 -","- C18 H16 Cu N4 O5 -","- C72 H64 Cu4 N16 O20 -","4","0.5","KA1272","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-acetylenedicarboxylato-<i>O</i>:<i>O</i>'-μ-aqua] and Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-aqua-μ-fumarato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","10","1431","1435","10.1107/S0108270198004880","","","0.71073","MoKα","","0.048","0.035","","","0.076","0.079","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007736","9.346","0.002","4.5979","0.0012","13.7798","0.0014","90","","105.164","0.011","90","","571.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-carboxy-2-pyridone","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","KA1286","Sawada, Keiju; Ohashi, Yuji","2-Oxo-1,2-dihydropyridine-6-carboxylic Acid","Acta Crystallographica Section C","1998","54","10","1491","1493","10.1107/S0108270198007446","","","1.54184","CuKα","","0.093","0.051","","","","0.161","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007737","6.6977","0.0007","7.9438","0.0005","10.81","0.0013","72.643","0.008","85.549","0.009","88.011","0.007","547.26","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Complex of (-)-Morphine with β-Phenylhydracrylic Acid","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C26 H29 N O6 -","1","1","LN1054","Lutz, Martin; Spek, Anthony L.","Complex of ({-})-Morphine with β-Phenylhydracrylic Acid","Acta Crystallographica Section C","1998","54","10","1477","1479","10.1107/S010827019800506X","","","0.71073","MoKα","","0.1096","0.0507","","","","0.1215","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007738","11.632","0.003","11.835","0.002","22.412","0.004","90","","100.28","0.03","90","","3035.8","1.1","210","2","210","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 I7 Rh S4 -","- C12 H24 Cl2 I7 Rh S4 -","- C48 H96 Cl8 I28 Rh4 S16 -","4","1","LN1058","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","<i>trans</i>-Dichloro([16]aneS~4~)rhodium(III) Pentaiodide Diiodine","Acta Crystallographica Section C","1998","54","10","1410","1413","10.1107/S0108270198005964","","","0.71073","MoKα","","0.09","0.062","","0.134","0.116","","","","1.235","1.225","1.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007739","7.32","0.005","8.307","0.005","16.399","0.005","81.23","0.05","98.52","0.05","104.46","0.05","948","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O4 S3 -","- C18 H17 N O4 S3 -","- C36 H34 N2 O8 S6 -","2","1","MU1359","D.TranQui; P. Fresneau; M.Cussac","(<i>Z</i>)-5-(2-Naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1998","54","10","1501","1503","10.1107/S0108270198004600","","","0.71073","MoKα","","0.0573","0.0437","","0.137","0.1","","","","0.974","0.897","0.897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007740","9.0038","0.0006","12.413","0.0005","6.6728","0.0008","96.458","0.006","99.231","0.008","75.48","0.004","710.57","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Hydroxy-3-Methoxycarbonyl-2-Dimethoxyphosphoryl-2H-1-Benzopyran","","- C13 H15 O7 P -","- C13 H15 O8 P -","- C26 H30 O16 P2 -","2","1","NA1323","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Modranka, R.; Kostka, K.; Olszak, Agnieszka","2<i>H</i>-1-Benzopyrans. III. 4-Hydroxy-3-methoxycarbonyl-2-dimethoxyphosphoryl-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1998","54","10","1459","1461","10.1107/S0108270198005241","","","1.54178","CuKα","","0.055","0.047","","0.142","0.139","","","","1.142","1.231","1.231","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007741","9.118","0.001","9.149","0.002","17.633","0.001","90","","95.17","0.01","90","","1465","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6,7-dihydroxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-phenyl-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C15 H18 Cl N O3 -","- C15 H18 Cl N O3 -","- C60 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.055","0.027","","","","0.057","","","","","","0.788","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007742","7.846","0.002","19.956","0.004","9.751","0.001","90","","94.6","0.01","90","","1521.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.076","0.033","","","","0.062","","","","","","0.751","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007743","15.1362","0.0008","15.8851","0.0007","11.861","0.001","90","","90","","90","","2851.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.051","0.032","","","","0.084","","","","","","0.914","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007744","9.747","0.005","14.882","0.004","15.48","0.005","90","","90","","90","","2245.4","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10- vinylacridin-9-yl-methyl acetate","","- C23 H31 N O4 -","- C23 H31 N O4 -","- C92 H124 N4 O16 -","4","1","NA1326","R. Sankaranarayanan; D. Velmurugan; P. Murugan; N.Ramasubbu","1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10-vinylacridin-9-ylmethyl Acetate","Acta Crystallographica Section C","1998","54","10","1534","1535","10.1107/S0108270198005356","","","1.5418","CuKα","","0.108","0.052","","0.158","0.13","","","","1.089","1.175","1.175","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007745","11.301","0.002","8.665","0.001","13.422","0.001","90","","107.77","0.01","90","","1251.6","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","NA1359","Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim","2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime","Acta Crystallographica Section C","1998","54","10","1513","1515","10.1107/S0108270198005071","","","0.71069","MoKα","","","0.0452","","","0.0529","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007746","19.799","0.004","8.914","0.002","8.411","0.002","90","","107.75","0.01","90","","1413.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tiosemicarbazide dihydrogen phosphate","Thiosemicarbazonium dihydrogen phosphate","","- C H8 N3 O4 P S -","- C H8 N3 O4 P S -","- C8 H64 N24 O32 P8 S8 -","8","1","NA1366","Waśkowska, Alicja","Thiosemicarbazid-1-ium Dihydrogenphosphate","Acta Crystallographica Section C","1998","54","10","1540","1542","10.1107/S0108270198006118","","","0.71073","MoKα","","0.061","0.039","","0.093","0.09","","","","1.049","1.107","1.107","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2007747","8.279","0.0001","13.2031","0.0001","9.6525","0.0001","90","","102.852","0.001","90","","1028.67","0.019","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-4-methyl-heptanedinitrile","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","NA1367","Bolte, Michael; Pfizer, José; Weigand, Barbara-Sylvia","4-Acetyl-4-methylheptanedinitrile at 173K","Acta Crystallographica Section C","1998","54","10","1461","1462","10.1107/S0108270198006210","","","0.71073","MoKα","","0.044","0.04","","0.108","0.104","0.108","","","1.076","","","1.076","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007748","11.951","0.004","10.59","0.004","28.852","0.002","90","","91.57","0.01","90","","3650.2","1.9","296.2","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 F6 N4 Ni O2 S2 -","- C32 H48 F6 N4 Ni O2 S2 -","- C128 H192 F24 N16 Ni4 O8 S8 -","4","1","OA1048","Ueyama, Norikazu; Tuji, Tomo-aki; Okamura,Taka-aki; Nakamura, Akira","Bis(tetraethylammonium) Bis[2-(trifluoroacetylamidato)benzenethiolato(2‒)-<i>S</i>,<i>N</i>]nickelate(II)","Acta Crystallographica Section C","1998","54","10","1424","1425","10.1107/S0108270198005551","","","0.7107","MoKα","","","0.045","","","0.047","","","","","1.828","1.828","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007749","9.872","0.001","15.779","0.001","7.229","0.001","96.31","0.01","91.13","0.01","82.2","0.01","1108.9","0.2","298.2","","298.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1057","Mizuguchi, Jin","3,6-Bis(4-<i>tert</i>-butylphenyl)-1,2,4,5-tetrahydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section C","1998","54","10","1482","1484","10.1107/S0108270198005563","","","1.5418","CuKα","","","0.061","","","0.087","","","","","1.286","1.286","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007750","4.737","0.001","32.45","0.003","9.507","0.001","90","","100.27","0.01","90","","1438","0.4","298.2","","298.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C80 H52 N4 O8 -","2","0.5","OA1058","Mizuguchi, Jin","<i>N</i>,<i>N</i>'-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section C","1998","54","10","1479","1481","10.1107/S0108270198005575","","","1.5418","CuKα","","","0.076","","","0.109","","","","","1.34","1.34","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007751","14.939","0.003","6.078","0.004","19.74","0.002","90","","102.345","0.012","90","","1750.9","1.2","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8CB","4'-octyl-4-cyanobiphenyl","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","OA1062","Kuribayashi, Miki; Hori, Kayako","4-Cyano-4'-octylbiphenyl","Acta Crystallographica Section C","1998","54","10","1475","1477","10.1107/S0108270198005952","","","1.54184","CuKα","","0.057","0.049","","0.153","0.144","","","","1.041","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007752","19.735","0.003","4.6","0.003","15.654","0.002","90","","104.22","0.02","90","","1377.5","0.9","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C64 H56 Br4 N4 O8 -","4","1","OS1023","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid","3-[(2-Bromo-4-methylphenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section C","1998","54","10","1464","1466","10.1107/S0108270198008002","","","0.71073","MoKα","","0.124","0.041","","0.098","0.077","","","","0.989","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007753","17.232","0.001","7.294","0.001","23.241","0.002","90","","95.27","0.01","90","","2908.8","0.5","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,R)-trans-1,2-Bis(2-hydroxyphenyl)cyclopentane,bis(R)-O-methylmandelic acid ester","","- C35 H34 O6 -","- C35 H34 O6 -","- C140 H136 O24 -","4","2","QA0050","Lynch, Vincent M.; Apodaca, Richard; Whitesell, James K.; Chou, Ming I.","<i>trans</i>-(<i>R</i>,<i>R</i>)-2,2'-(Cyclopenta-1,2-diyl)diphenyl Bis[(<i>R</i>)-<i>O</i>-methylmandelate]","Acta Crystallographica Section C","1998","54","10","IUC9800052","","10.1107/S0108270198099296","","","0.71073","MoKα","","0.1099","0.052","","0.105","0.0856","","","","1.03","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007754","21.262","0.006","3.837","0.004","13.972","0.004","90","","108.02","0.02","90","","1084","1.2","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-pyridinecarboxylic acid","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","QA0051","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Takeda, Sadamu; Kataoka, Hiroshi; Ohba, Shigeru","2-Pyridinecarboxylic Acid","Acta Crystallographica Section C","1998","54","10","IUC9800049","","10.1107/S0108270198099314","","","0.71073","MoKα","","","0.041","","","","0.041","","","","","","1.2","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007755","12.669","0.002","14.102","0.005","11.193","0.006","90","","99.21","0.03","90","","1973.9","1.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-tert-Butylphenyl)-3-(methylthio)fluorene","","- C24 H24 S -","- C24 H24 S -","- C96 H96 S4 -","4","1","QA0052","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-3-(methylthio)fluorene: a Major Rearrangement Product from the Facile Uncatalyzed Decomposition of <i>ap</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-(methylthio)fluorene","Acta Crystallographica Section C","1998","54","10","IUC9800051","","10.1107/S0108270198099302","","","0.71069","MoKα","","0.1062","0.0415","","","","0.1431","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007756","19.048","0.0009","19.048","0.0009","9.053","0.0004","90","","90","","120","","2844.6","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","catena-tris(μ-Glycine)-scandium(III) tri-perchlorate","","- C6 H15 Cl3 N3 O18 Sc -","- C6 H15 Cl3 N3 O18 Sc -","- C36 H90 Cl18 N18 O108 Sc6 -","6","0.333333","QA0053","Wang, Zhe-Ming; Lu, Zhi; Liao, Chun-Sheng; Yan, Chun-Hua","Tris(glycine)scandium(III) Triperchlorate: a Space-Group Correction","Acta Crystallographica Section C","1998","54","10","IUC9800050","","10.1107/S0108270198099338","","","0.71073","MoKα","","0.0362","0.0283","","","","0.0772","","","","","","1.083","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007757","17.186","0.003","18.936","0.004","17.406","0.004","90","","90","","90","","5665","2","298","","298","","","","","","","","","6","C m c a","-C 2ac 2","64","","Ethanaminium, N,N,N-triethyl-, tetra-.mu.-carbonyleicosacarbonyldithalla- hexaferrate (2-) (2Fe-Fe) (8Fe-Tl) (2:1)","","- C40 H40 Fe6 N2 O24 Tl2 -","- C40 H40 Fe6 N2 O24 Tl2 -","- C160 H160 Fe24 N8 O96 Tl8 -","4","","QA0054","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","Bis(tetraethylammonium) tetra-μ-carbonyl-icosacarbonylhexairondithallate(2 <i>Fe</i>—<i>Fe</i>)(8 <i>Fe</i>—<i>Tl</i>)(2‒)","Acta Crystallographica Section C","1998","54","10","IUC9800053","","10.1107/S0108270198099326","","","0.71073","MoKα","","0.1755","0.0492","","0.169","0.1163","","","","1.054","1.099","1.099","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007758","8.34","0.002","11.6","0.002","20.898","0.003","90","","101.27","0.03","90","","1982.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cu2 N14 O2 S4 -","- C32 H34 Cu2 N14 O2 S4 -","- C64 H68 Cu4 N28 O4 S8 -","2","0.5","SK1117","Chun-Ying, Duan; Xiao-Zeng, You; T.C.W.Mak","Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(isothiocyanato-<i>N</i>)copper(II)] Bis(dimethylformamide) Solvate","Acta Crystallographica Section C","1998","54","10","1395","1397","10.1107/S0108270198004843","","","0.71073","MoKα","","0.0535","0.0396","","0.1207","0.1033","","","","1.118","1.176","1.176","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007759","22.457","0.002","13.346","0.001","12.896","0.001","90","","113.66","0.01","90","","3540.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[di-[(2-pyridine)ketone thiosemicarbazone]copper(II) acetate ] dimethanol","","- C30 H34 Cu2 N10 O6 S2 -","- C30 H34 Cu2 N10 O6 S2 -","- C120 H136 Cu8 N40 O24 S8 -","4","0.5","SK1118","Chun-Ying Duan; Xiao-Zeng You; T.C.W. Mak","Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(acetato-<i>O</i>)copper(II)] Dimethanol Solvate","Acta Crystallographica Section C","1998","54","10","1397","1399","10.1107/S0108270198004764","","","0.71073","MoKα","","0.107","0.0637","","0.2548","0.1682","","","","1.024","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007760","19.464","0.002","10.087","0.002","13.993","0.002","90","","105.993","0.009","90","","2641","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{dimethyl[2,6-diacetylpyridinebis(2-furanecarboxylhydrazone)]tin(IV)} trans[dimethyltetraclorostannate(IV)]","","- C44 H50 Cl4 N10 O8 Sn3 -","- C44 H50 Cl4 N10 O8 Sn3 -","- C88 H100 Cl8 N20 O16 Sn6 -","2","0.5","SK1125","Francisco, Regina H. P.; Moreno, Patricia C.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Mangas, M. Beatriz P.; Abras, Anuar","Bis{[2,6-diacetylpyridine bis(2-furoylhydrazone)(1‒)]dimethyltin(IV)} <i>trans</i>-Tetrachlorodi-methylstannate(IV)","Acta Crystallographica Section C","1998","54","10","1444","1446","10.1107/S0108270198005940","","","0.71073","MoKα","","0.106","0.038","","0.092","0.068","","","","1.076","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007761","10.153","0.002","13.824","0.003","11.673","0.003","90","","110.14","0.02","90","","1538.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylguanidinium trifluoroacetate","","- C15 H14 F3 N3 O2 -","- C15 H14 F3 N3 O2 -","- C60 H56 F12 N12 O8 -","4","1","SK1182","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","1,3-Diphenylguanidinium Trifluoroacetate","Acta Crystallographica Section C","1998","54","10","1484","1486","10.1107/S0108270198005095","","","0.71073","MoKα","","0.103","0.039","","","","0.123","","","","","","0.987","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007762","8.582","0.005","9.609","0.005","31.213","0.005","90","0.005","90","0.005","90","0.005","2574","2","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-phenyl-cis-4,6-dimethyl-1,3-diselenane","","- C12 H16 Se2 -","- C12 H16 Se2 -","- C96 H128 Se16 -","8","1","SK1184","Baudoux, Guy; Norberg, Bernadette; Wouters, Johan; Defrère, Laurent; Krief, Alain; Evrard, Guy","<i>cis</i>-4,6-Dimethyl-2-phenyl-1,3-diselenane","Acta Crystallographica Section C","1998","54","10","1505","1507","10.1107/S0108270198004235","","","1.54178","CuKα","","0.0415","0.0371","","","","0.1025","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007763","9.571","0.004","12.773","0.006","13.486","0.006","66.39","0.03","74.97","0.03","80.84","0.03","1456.1","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(tetraphenylphosphonium) μ-oxalato-O^1^,O^2^:O^1^',O^2^' -bis[aqua(oxalato-O^1^,O^2^)oxovanadium(IV)] octahydrate","","- C54 H60 O24 P2 V2 -","- C54 H60 O24 P2 V2 -","- C54 H60 O24 P2 V2 -","1","0.5","SK1188","Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio","A Dinuclear Vanadyl‒Oxalate Compound","Acta Crystallographica Section C","1998","54","10","1435","1438","10.1107/S0108270198006520","","","0.71073","MoKα","","0.101","0.044","","","","0.121","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007764","29.1351","0.0009","10.4189","0.0002","20.0512","0.0006","90","","116.766","0.001","90","","5434.5","0.3","130","1","130","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,1-Tris(4-hydroxyphenyl)ethane-4,4'-bipyridyl (2/3)","","- C70 H60 N6 O6 -","- C70 H60 N6 O6 -","- C280 H240 N24 O24 -","4","0.5","SK1190","Bényei, Attila C.; Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Meehan, Paul R.","Tenfold Interpenetration of Giant Hexagonal <i>R</i>^12^~12~(126) Nets in the Hydrogen-Bonded Structure of 1,1,1-Tris(4-hydroxyphenyl)ethane‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1998","54","10","1515","1519","10.1107/S0108270198004624","","","0.7107","MolybdenumKα","","0.0646","0.0408","","","","0.1079","","","","","","0.938","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007765","6.5478","0.0002","9.9048","0.0003","10.8386","0.0004","90","","95.791","0.004","90","","699.35","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorodimethyltin.4,4'-bipyridine","","- C12 H14 Cl2 N2 Sn -","- C12 H14 Cl2 N2 Sn -","- C24 H28 Cl4 N4 Sn2 -","2","0.5","SK1191","Ng, Seik Weng","<i>catena</i>-Poly[(dichlorodimethyltin)-μ-(4,4'-bipyridine-<i>N</i>:<i>N</i>')]","Acta Crystallographica Section C","1998","54","10","1393","1395","10.1107/S0108270198005484","","","0.71073","MoKα","","0.029","0.023","","","","0.061","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007766","8.1259","0.0006","32.017","0.002","13.011","0.001","90","","103.065","0.007","90","","3297.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine]","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C152 H124 N24 O12 Sn4 -","2","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.073","0.0397","","","","0.0848","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007767","9.2219","0.0008","12.567","0.002","15.616","0.002","78.73","0.01","73.681","0.009","80.395","0.009","1691.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","1","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.0605","0.0412","","","","0.0945","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007768","8.9189","0.0011","18.2124","0.0014","16.813","0.002","90","","103.134","0.011","90","","2659.6","0.5","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1,4-Dimethylpyridinium [1,3-dithiole-2-thione-4,5-dithiolato)diphenyl(thiocyanato-N)stannate(1-)]","","- C23 H20 N2 S6 Sn -","- C23 H20 N2 S6 Sn -","- C92 H80 N8 S24 Sn4 -","4","1","SK1198","Khan, Abdullah; Low, John N.; Wardell, James L.; Ferguson, George","1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1399","1401","10.1107/S0108270198005496","","","0.7107","MoKα","","0.07","0.038","","","","0.096","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007769","11.0167","0.001","13.6197","0.0008","15.4733","0.0011","90","","90","","90","","2321.7","0.3","294","1","294","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","Tetraethylammonium [bromo(1,3-dithiole-2-one-4,5-dithiolato) diethylstannate(1-)]","","- C15 H30 Br N O S4 Sn -","- C15 H26.34 Br N O S4 Sn -","- C60 H105.36 Br4 N4 O4 S16 Sn4 -","4","0.5","SK1200","Chohan, Zahid H.; Wardell, James L.; Low, John N.; Meehan, Paul R.; Ferguson, George","Tetraethylammonium Bromo(1,3-dithiol-2-one-4,5-dithiolato)diethylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1401","1403","10.1107/S0108270198006027","","","0.7107","MoKα","","0.11","0.048","","","","0.153","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007770","13.378","0.0006","20.6464","0.0006","6.251","0.0004","90","","90","","90","","1726.57","0.14","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-chloro-2-methoxy-N-[(2S,4S)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl ] benzamide","","- C15 H22 Cl N3 O3 -","- C15 H22 Cl N3 O3 -","- C60 H88 Cl4 N12 O12 -","4","1","SX1037","Tsutomu Adachi; Jun-Ichi Mizoguchi; Yasuo Hayashi; Yuko Yamashoji; Nobuko Kanehisa; Yasushi Kai; Yoshihisa Inoue","New Gastroprokinetic Agent TKS159: 4-Amino-5-chloro-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl]-2-methoxybenzamide","Acta Crystallographica Section C","1998","54","10","1527","1529","10.1107/S0108270198003722","","","1.54178","CuKα","","","0.046","","","0.0647","","","","","1.895","1.895","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007771","12.672","0.003","15.43","0.003","14.731","0.003","90","","114.77","0.03","90","","2615.3","1.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1H-1,3-oxazino[3,2-d][1,5]benzothiazepin-1-one","6-(4-chlorophenyl)-3-methyl-2,4a-diphenyl-4a,5,6,12-tetrahydro-1H- 1,3-oxazino[3,2-d][1,5]benzothiazepin-1-one","","- C31 H24 Cl N O2 S -","- C31 H24 Cl N O2 S -","- C124 H96 Cl4 N4 O8 S4 -","4","1","TA1209","Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.","6-(4-Chlorophenyl)-3-methyl-2,4a-diphenyl-5,6-dihydro-1<i>H</i>,4a<i>H</i>-1,3-oxazino[2,3-<i>d</i>][1,5]benzothiazepin-1-one","Acta Crystallographica Section C","1998","54","10","1525","1527","10.1107/S0108270198005630","","","0.71073","MoKα","","0.135","0.055","","0.087","0.069","","","","0.973","1.48","1.48","","","","","has coordinates","198487","2020-10-21","18:00:00",""
"2007772","4.8635","0.0007","13.0125","0.0018","12.658","0.0018","90","","97.832","0.003","90","","793.61","0.19","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-[Methyl 2,3-di-O-methyl-4,6-O-(phenylmethylene)α-D-glucopyranoside]","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.146","0.072","","","","0.202","","","","","","0.945","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007773","8.3014","0.0002","13.8503","0.0002","17.7567","0.0005","90","","90","","90","","2041.61","0.08","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[(η^6^-phenyl)methylene]- α-D-glucopyranoside]chromium(0)","","- C19 H22 Cr O9 -","- C19 H22 Cr O9 -","- C76 H88 Cr4 O36 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.129","0.067","","","0.103","0.125","","","","","","1.065","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007774","7.9722","0.0002","8.5924","0.0002","16.0785","0.0004","90","","92.72","0.001","90","","1100.14","0.05","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(methylthio)phenyl]methylene]-α-D-glucopyranoside]chromium(0)","","- C20 H24 Cr O9 S -","- C20 H24 Cr O9 S -","- C40 H48 Cr2 O18 S2 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.04","0.034","","","0.092","0.103","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007775","22.3782","0.0001","11.4738","0.0001","13.8548","0.0002","90","","108.007","0.001","90","","3383.15","0.06","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(diphenylphosphino)phenyl]methylene]-α-D-glucopyranoside]]- chromium(0) dichloromethane solvate","","- C32 H33 Cl2 Cr O9 P -","- C32 H33 Cl2 Cr O9 P -","- C128 H132 Cl8 Cr4 O36 P4 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.035","0.03","","","0.077","0.08","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007776","8.482","0.0002","9.0429","0.0003","28.6178","0.0008","90","","90","","90","","2195.04","0.11","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5,'6'-η]-4'- (methoxyphenyl)methylene]-α-D-glucopyranoside]]chromium(0)","","- C20 H24 Cr O10 -","- C20 H24 Cr O10 -","- C80 H96 Cr4 O40 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.028","0.026","","","0.071","0.072","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007777","5.2442","0.0005","8.938","0.002","9.731","0.002","75.01","0.02","77.72","0.02","73.06","0.01","416.8","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H5 N O8 P2 Zn2 -","- H N O8 P2 Zn2 -","- H2 N2 O16 P4 Zn4 -","2","1","TA1214","Bircsak, Zsolt; Harrison, William T. A.","(NH~4~)Zn~2~(PO~4~)(HPO~4~)","Acta Crystallographica Section C","1998","54","10","1383","1385","10.1107/S0108270198005988","","","0.71073","MoKα","","","0.033","","","0.031","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007778","8.759","0.0005","10.554","0.0012","10.6064","0.0014","114.116","0.014","96.957","0.007","97.535","0.007","870.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C44 H34 Cl2 N4 -","2","1","BK1362","Song, Hyun; Shin, Hyun-So","The Antifungal Drug Clotrimazole","Acta Crystallographica Section C","1998","54","11","1675","1677","10.1107/S0108270198006386","","","0.71069","MoKα","","0.0521","0.037","","0.0923","0.086","","","","1.01","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007779","7.4173","0.0011","14.326","0.002","13.077","0.003","90","","90.14","0.013","90","","1389.6","0.4","153","2","153.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl N2 O3 Re -","- C13 H10 Cl N2 O3 Re0.5 -","- C52 H40 Cl4 N8 O12 Re2 -","4","0.5","BK1384","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","<i>fac</i>-Tricarbonylchlorobis(pyridine-<i>N</i>)rhenium and <i>fac</i>-Tricarbonylchlorobis(4,4'-bipyridine-<i>N</i>)rhenium","Acta Crystallographica Section C","1998","54","11","1596","1600","10.1107/S0108270198006398","","","0.7107","MoKα","","0.0221","0.015","","0.02","0.019","","","","1.888","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007780","7.126","0.002","14.658","0.003","21.517","0.006","90","","98.63","0.02","90","","2222.1","1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cl N4 O3 Re -","- C23 H16 Cl N4 O3 Re -","- C92 H64 Cl4 N16 O12 Re4 -","4","1","BK1384","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","<i>fac</i>-Tricarbonylchlorobis(pyridine-<i>N</i>)rhenium and <i>fac</i>-Tricarbonylchlorobis(4,4'-bipyridine-<i>N</i>)rhenium","Acta Crystallographica Section C","1998","54","11","1596","1600","10.1107/S0108270198006398","","","0.7107","MoKα","","","0.033","","","0.028","","","","","1.49","1.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007781","5.0309","0.0006","7.7455","0.0006","16.276","0.001","90","","90","","90","","634.22","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4R)-(-)-2-thioxothiazolidine-4-carboxylic acid","","","- C4 H5 N O2 S2 -","- C4 H5 N O2 S2 -","- C16 H20 N4 O8 S8 -","4","1","BK1393","Dobson, Allison J.; Gerkin, Roger E.","(4<i>R</i>)-({-})-2-Thioxothiazolidine-4-carboxylic Acid (Raphanusamic Acid)","Acta Crystallographica Section C","1998","54","11","1634","1637","10.1107/S0108270198006416","","","0.71073","MoKα","","","0.025","","","0.033","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007782","30.229","0.015","13.009","0.003","14.157","0.007","90","","102.42","0.04","90","","5437","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-(2,2-Bipyridyl)(carbonyl)(carboxylato) (η^2^-2,2':6',2''-terpyridyl)ruthenium(II) Hexafluorophosphate","","- C27 H20 F6 N5 O3 P Ru -","- C27 H20 F5.96 N5 O3 P Ru -","- C216 H160 F47.68 N40 O24 P8 Ru8 -","8","1","BK1398","Gibson, Dorothy H.; Sleadd, Bradley A.; Mashuta, Mark S.; Richardson, John F.","<i>cis</i>-(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')carbonyl(methanoato-<i>C</i>)(η^2^-2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>')ruthenium(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","11","1584","1586","10.1107/S0108270198006428","","","0.7107","MoKα","","0.052","0.04","","0.045","0.044","","","","3.28","2.76","2.76","","","","","has coordinates","198851","2020-10-21","18:00:00",""
"2007783","20.674","0.003","20.674","0.003","5.804","0.001","90","","90","","90","","2480.7","0.7","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","Cu(prop)~2~(mpc)~2~.1/4H~2~O","","","- C20 H26.5 Cu N4 O8.25 -","- C20 H26 Cu N4 O8.24 -","- C80 H104 Cu4 N16 O32.96 -","4","0.5","BM1193","Koman, Marian; Melník, Milan; Glowiak, Tadeus","Bis(methyl 3-pyridyl-κ<i>N</i>^1^-carbamate)bis(propionato-κ<i>O</i>)copper(II)‒Water (4/1)","Acta Crystallographica Section C","1998","54","11","1604","1605","10.1107/S0108270198006313","","","1.5418","CuKα","","0.094","0.043","","0.165","0.117","","","","0.789","0.921","0.921","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007784","14.768","0.003","7.057","0.001","17.999","0.004","90","","112.81","0.03","90","","1729.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","spiro[fluorene-chromenes]","spiro[fluorene-9,2'-[2H]naphto[1,2-b]pyrane","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","BM1220","Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Pozzo, Jean Luc; Lokshin, Vladimir; Pèpe, Gérard","Photochromic Properties of Spiro[fluorene-chromenes]","Acta Crystallographica Section C","1998","54","11","1720","1722","10.1107/S0108270198004727","","","1.54178","CuKα","","0.0789","0.0383","","0.1438","0.1049","","","","1.18","1.122","1.122","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007785","9.876","0.003","11.156","0.004","11.281","0.004","64.72","0.02","65.51","0.02","80.78","0.02","1022.5","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Spiro[fluorene-chromenes]","spiro[7H-benzofurano[3,2-g]-chromene-7,9'-fluorene]","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","1","BM1220","Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Pozzo, Jean Luc; Lokshin, Vladimir; Pèpe, Gérard","Photochromic Properties of Spiro[fluorene-chromenes]","Acta Crystallographica Section C","1998","54","11","1720","1722","10.1107/S0108270198004727","","","0.71073","MoKα","","0.047","0.0441","","0.0911","0.0903","","","","1.005","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007786","8.769","0.0001","9.5801","0.0003","11.0747","0.0003","80.513","0.001","72.546","0.001","71.89","0.002","840.93","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(quinoline-N)zinc(II)","","- C18 H14 Cl2 N2 Zn -","- C18 H14 Cl2 N2 Zn -","- C36 H28 Cl4 N4 Zn2 -","2","1","BM1252","Yong Cui; Deliang Long; Wendan Chen; Jinshun Huang","Dichlorobis(quinoline-<i>N</i>)zinc(II)","Acta Crystallographica Section C","1998","54","11","1605","1607","10.1107/S0108270198007240","","","0.71073","MoKα","","0.056","0.049","","0.131","0.126","","","","1.02","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007787","9.466","0.003","9.564","0.003","14.842","0.006","77.46","0.03","71.93","0.03","73.94","0.03","1214.8","0.8","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","1,4,7,1O,13,16-Hexaoxacyclooctadecane‒ Dimethyl Sulfoxide‒bis(4-fluorophenylsulfonyl)amine (1/2/2)","","- C40 H54 F4 N2 O16 S6 -","- C40 H54 F4 N2 O16 S6 -","- C40 H54 F4 N2 O16 S6 -","1","0.5","BM1256","Wijaya, Karna; Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. CVI. 1,4,7,10,13,16-Hexaoxacyclooctadecane‒Dimethyl Sulfoxide‒Bis(4-fluorophenylsulfonyl)amine (1/2/2)","Acta Crystallographica Section C","1998","54","11","1707","1710","10.1107/S0108270198007203","","","0.71073","MoKα","","0.034","0.031","","0.084","0.081","","","","1.061","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007788","10.935","0.001","15.064","0.001","17.577","0.001","84.467","0.006","80.458","0.007","86.175","0.007","2838.2","0.4","150","","150","","","","","","","","","3","P -1","-P 1","2","triphenylphosphine","triphenylphosphine","","- C18 H15 P -","- C18 H15 P -","- C144 H120 P8 -","8","4","BM1260","Kooijman, Huub; Spek, Anthony L.; Bommel, Kjeld J.C. van; Verboom, Willem; Reinhoudt, David N.","A Triclinic Modification of Triphenylphosphine","Acta Crystallographica Section C","1998","54","11","1695","1698","10.1107/S0108270198009305","","","0.71073","MoKα","","0.101","0.0532","","","","0.1346","","","","","","1.017","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007789","11.297","0.001","6.949","0.001","13.732","0.002","90","","91.95","0.01","90","","1077.4","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","BS1036","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Punte, Graciela; Hechevarría, Gustavo; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz","5-Oxo-4-phenyl-1,2,3,4,5,7-hexahydrofuro[3,4-<i>b</i>]-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1642","1644","10.1107/S0108270197017988","","","0.71069","MoKα","","0.259","0.054","","0.182","0.088","","","","1.065","1.162","1.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007790","8.983","0.002","21.125","0.004","13.196","0.003","90","","90","","90","","2504.2","0.9","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","BS1040","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Gómez González, Ariel; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Mascarenhas, Yvonne","5-Methoxycarbonyl-6-methyl-4-phenyl-3,4-dihydro-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1644","1645","10.1107/S010827019701799X","","","0.71069","MoKα","","0.168","0.0499","","0.1662","0.0996","","","","1.082","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007791","10.901","0.002","10.901","0.002","17.403","0.002","90","","90","","90","","2068","0.6","296.2","","296.2","","","","","","","","","6","I 4/m","-I 4","87","","hexamethylthiobenzenecopper(I) hexafluorophosphate","","- C12 H18 Cu F6 P S6 -","- C12 H18 Cu F6 P S6 -","- C48 H72 Cu4 F24 P4 S24 -","4","0.25","CF1226","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Maekawa, Masahiko; Morimoto, Hiroshi","A Linear-Chain Copper(I) Coordination Polymer with Hexakis(methylthio)benzene","Acta Crystallographica Section C","1998","54","11","1566","1569","10.1107/S010827019800643X","","","0.7107","MoKα","","","0.031","","","0.04","","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007792","9.7987","0.0008","19.1424","0.0014","13.3366","0.0011","90","","98.816","0.007","90","","2472","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichloro-6-exo-9-endo-bis(dimethylphenylphosphino)- arachno-decaborane(10)","","- C16 H32 B10 Cl2 P2 -","- C16 H32 B10 Cl2 P2 -","- C64 H128 B40 Cl8 P8 -","4","1","CF1228","Dörfler, Udo; McGrath, Thomas D.; Cooke, Paul A.; Kennedy, John D.; Thornton-Pett, Mark","2,4-Cl~2~-6,9-<i>exo</i>,<i>endo</i>-(PMe~2~Ph)~2~-<i>arachno</i>-B~10~H~10~","Acta Crystallographica Section C","1998","54","11","1703","1705","10.1107/S0108270198005666","","","1.54186","CuKα","","0.039","0.034","","","","0.09","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007793","7.3161","0.0005","10.9267","0.0014","11.2045","0.001","83.479","0.009","76.746","0.008","73.386","0.007","834.33","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis acetato-2,2'-bipyridylamine copper(II). Dihydrate","","- C14 H19 Cu N3 O6 -","- C14 H19 Cu N3 O6 -","- C28 H38 Cu2 N6 O12 -","2","1","CF1235","Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun; Kandasamy Chinnakali","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridyl-κ<i>N</i>-amine)copper(II) Dihydrate","Acta Crystallographica Section C","1998","54","11","1586","1588","10.1107/S0108270198006441","","","0.71073","MoKα","","0.032","0.03","","0.085","0.084","","","","1.071","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007794","5.161","0.001","17.694","0.004","13.155","0.003","90","","96.64","0.03","90","","1193.2","0.5","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(1,4-dioxano [5,6-b]) acridinone","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","CF1238","Karolak-Wojciechowska, Janina; Mrozek, Agnieszka; Trzeźwińska, Barbara; Morel, Sandrine; Galy, Jean-Pierre; Barbe, Jacques","2,3-Dihydrodioxin[2,3-<i>b</i>]acridin-11(6<i>H</i>)-one","Acta Crystallographica Section C","1998","54","11","1689","1690","10.1107/S0108270198006738","","","1.54178","CuKα","","0.0419","0.0378","","0.1158","0.1123","","","","1.11","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007795","13.957","0.003","13.877","0.003","21.831","0.004","90","","102.9","0.03","90","","4121.5","1.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(tripenylphosphino)-2,2-dicyano-1,1-ethylenedithiolate palladium(II)","","- C44 H36 N4 P2 Pd S2 -","- C44 H30 N4 P2 Pd S2 -","- C176 H120 N16 P8 Pd4 S8 -","4","1","DA1006","Bao, Mutai; Cao, Rong; Su, Weiping; Hong, Maochun","(1,1-Dimercaptoethene-2,2-dicarbonitrilato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)palladium(II) Diacetonitrile Solvate","Acta Crystallographica Section C","1998","54","11","1622","1624","10.1107/S0108270198006465","","","0.71073","MoKα","","0.051","0.037","","0.092","0.07","","","","1.162","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007796","10.8912","0.0006","7.4907","0.0004","11.2879","0.0006","90","","111.214","0.001","90","","858.49","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C38 H56 O10 -","2","1","DA1020","Cambie, Richard C.; Mitchell, Lorna H.; Rickard, Clifton E. F.; Rutledge, P. Stewart","12,12-Ethylenedioxy-8α,9α-epoxypodocarpan-19-oic Acid","Acta Crystallographica Section C","1998","54","11","1672","1673","10.1107/S0108270198008269","","","0.71073","MoKα","","0.051","0.048","","","0.125","0.126","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007797","7.855","0.002","8.669","0.001","11.115","0.002","70.38","0.01","69.39","0.01","73.97","0.01","656.5","0.2","293","2","300","","","","","","","","","4","P -1","-P 1","2","Indole","Ethyl 5-Ethoxy-3-Methyl-2-Indolecarboxylate","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","DE1073","Chandrakantha, T. N.; Puttaraja; Kokila, M. K.; Shivaprakash, N. C.","Ethyl 5-Ethoxy-3-methyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section C","1998","54","11","1685","1687","10.1107/S010827019800568X","","","1.5418","CuKα","","0.055","0.045","","0.16","0.131","","","","1.084","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007798","8.049","0.002","12.756","0.002","6.209","0.002","98.82","0.02","100.94","0.03","93.99","0.02","615.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(N, N-dimethylaminomethylene)-2-(2-nitrophenyl)-2-oxazolin-5-one","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","DE1078","Vijayalakshmi, L; Parthasarathi, V; Perumal, P.T; Majo, V.J","4-(Dimethylaminomethylene)-2-(2-nitrophenyl)oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1998","54","11","1683","1685","10.1107/S010827019800403X","","","0.70173","MoKα","","0.1031","0.041","","0.1341","0.1151","","","","1.06","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007799","15.1675","0.0004","11.964","0.0003","24.1413","0.0004","90","","103.156","0.001","90","","4265.8","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mo2 N O8 S2 -","- C38 H51 Mo2 N O8 S2 -","- C152 H204 Mo8 N4 O32 S8 -","4","1","DE1087","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A New Dinuclear Molybdenum Compound, (Bu~4~ N)[Mo~2~(CO)~6~(SPh)~2~(CH~2~CCH~3~COO)]","Acta Crystallographica Section C","1998","54","11","1580","1582","10.1107/S010827019800571X","","","0.71073","MoKα","","0.078","0.048","","0.098","0.086","","","","1.09","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007800","9.049","0.003","12.898","0.004","9.391","0.002","90","","115.65","0.02","90","","988","0.5","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-ethyl-1-methyl-imidazolium tetrachloropalladate(II)","","- C12 H22 Cl4 N4 Pd -","- C12 H22 Cl4 N4 Pd -","- C24 H44 Cl8 N8 Pd2 -","2","0.5","FG1431","Ortwerth, Michael F.; Wyzlic, Michael J.; Baughman, Russell G.","Bis(1-ethyl-3-methylimidazolium) Tetrachloropalladate(II)","Acta Crystallographica Section C","1998","54","11","1594","1596","10.1107/S0108270198006829","","","0.71073","MoKα","","0.042","0.03","","0.078","0.071","","","","1.081","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007801","12.435","0.003","7.517","0.003","28.79","0.004","90","","93.344","0.017","90","","2686.5","1.3","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Oxa-4-thia-spiro[4.5]decane(s)","","- C13 H22 O2 S -","- C13 H22 O2 S -","- C104 H176 O16 S8 -","8","2","FG1452","Parvez, Masood; Yadav, Veejendra K.; Jeyaraj, Duraiswamy A.","2-(7-Ethylidene-6-methyl-1-oxa-4-thiaspiro[4.5]dec-7-yl)ethanol","Acta Crystallographica Section C","1998","54","11","1679","1681","10.1107/S010827019800780X","","","0.71069","MoKα","","0.2293","0.0564","","","","0.1866","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007802","12.235","0.003","9.645","0.002","18.596","0.006","90","","105.97","0.02","90","","2109.8","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3,3'-dimethyl-2,2'-biquinoline)bromotricarbonylrhenium(I)","","- C23 H16 Br N2 O3 Re -","- C23 H16 Br N2 O3 Re -","- C92 H64 Br4 N8 O12 Re4 -","4","1","FG1459","Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio","Bromotricarbonyl(3,3'-dimethyl-2,2'-biquinoline-<i>N</i>,<i>N</i>')rhenium(I)","Acta Crystallographica Section C","1998","54","11","1592","1594","10.1107/S010827019800691X","","","0.71073","MoKα","","0.0585","0.0268","","","","0.0549","","","","","","0.926","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007803","6.2457","0.0011","11.9757","0.0009","17.1228","0.0014","90","","90.081","0.002","90","","1280.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Bis(methoxyacetato)nitratoaquoneodymium(III)","","- C6 H12 N Nd O10 -","- C6 H12 N Nd O10 -","- C24 H48 N4 Nd4 O40 -","4","1","FG1460","Mague, Joel T.; Apblett, Allen W.; Walker, Edwin H.","Metal Alkoxycarboxylate Complexes. I. Poly[aquabis(methoxyacetato)(nitrato)neodymium(III)]","Acta Crystallographica Section C","1998","54","11","1588","1590","10.1107/S0108270198006921","","","0.71073","MoKα","","0.048","0.033","","0.094","","0.088","","","1.167","","","1.222","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007804","13.7463","0.0008","8.6401","0.0004","11.9943","0.0012","90","","90","","90","","1424.56","0.18","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","ferrocenium tetrachloroferrate","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.038","0.035","","0.084","0.082","","","","1.179","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007805","13.788","0.006","8.643","0.002","12.009","0.006","90","","90","","90","","1431.1","1","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","ferrocenium tetrochloroaluminate","","- C10 H10 Al Cl4 Fe -","- C10 H10 Al Cl4 Fe -","- C40 H40 Al4 Cl16 Fe4 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.073","0.059","","0.144","0.134","","","","1.146","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007806","13.342","0.002","16.839","0.001","7.052","0.002","90","","90","","90","","1584.3","0.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-tazettine","(+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[ 6,7][2]benzopyrano[3,4-c]indol-6a-ol","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.052","0.039","","","","0.109","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007807","7.297","0.005","11.083","0.002","9.531","0.003","90","","104.3","0.03","90","","746.9","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-O-demethylcriwelline","(+)-(3R,4aS,6aS,13bS)-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[6,7][2]ben zopyrano[3,4-c]indole-3,6a-diol","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.051","0.036","","","","0.095","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007808","8.176","0.002","17.666","0.002","11.0743","0.0009","90","","95.054","0.009","90","","1593.3","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-epimacronine","(+)-(3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-[1,3]dioxolo[6, 7][2]benzopyrano[3,4-c]indol-8-one","","- C18 H19.132 N O5.066 -","- C18 H19.132 N O5.066 -","- C72 H76.528 N4 O20.264 -","4","2","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.044","0.035","","","","0.09","","","","","","1.031","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2007809","9.182","0.002","10.917","0.002","21.955","0.004","90","","90","","90","","2200.8","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(+/-)-cis-10-Carboxymethyl-2-decalone","(+/-)-cis-4a-carboxymethyloctahydro-2(1H)-napthalenone","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","FG1471","Zewge, Daniel; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-10-Carboxymethyl-2-decalone: Catemeric Hydrogen Bonding in an ε-Keto Acid","Acta Crystallographica Section C","1998","54","11","1651","1653","10.1107/S0108270198007495","","","0.71073","MoKα","","0.12","0.054","","0.135","0.108","","","","1.001","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007810","7.6013","0.0006","11.771","0.001","14.896","0.002","90","","90","","90","","1332.8","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C60 H72 O8 S4 -","4","1","FG1476","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. III. (1<i>S</i>,5<i>R</i>)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]hept-2-ene","Acta Crystallographica Section C","1998","54","11","1673","1675","10.1107/S0108270198007811","","","0.71073","MoKα","","0.0664","0.0339","","0.0892","","0.0796","","","1.077","","","1.1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007811","12.112","0.002","13.46","0.002","7.946","0.002","97.72","0.02","102.21","0.02","102.98","0.01","1211.1","0.4","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","3-(dimethylamino)-5,6,7,8,9,10-hexahydro-12,13-dimethoxy-4H-spiro[benzo-1-thia-2 ,5-diazacyclododecene-4,1'-cyclobutan]-6-one 1,1-dioxide dichloromethane solvate (1/1)","","- C21 H31 Cl2 N3 O5 S -","- C21 H31 Cl2 N3 O5 S -","- C42 H62 Cl4 N6 O10 S2 -","2","1","FG1482","Linden, Anthony; Mihova, Tonya R.; Heimgartner, Heinz","3-(Dimethylamino)-5,6,7,8,9,10-hexahydro-12,13-dimethoxy-4<i>H</i>-spiro[benzo-1-thia-2,5-diazacyclododecene-4,1'-cyclobutan]-6-one 1,1-Dioxide Dichloromethane Solvate (1/1) at 173K","Acta Crystallographica Section C","1998","54","11","1659","1662","10.1107/S0108270198008476","","","0.71069","MoKα","","0.1023","0.0565","","","","0.1608","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007812","7.7771","0.0012","13.148","0.002","10.0967","0.0015","90","","90.944","0.009","90","","1032.3","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl4 Hf2 -","- C20 H20 Cl4 Hf2 -","- C40 H40 Cl8 Hf4 -","2","0.5","FR1091","Morris, Robert J.; Shaw, Scott L.; Huffman, John C.; Bollinger, John C.","Di-μ-chloro-bis[chloro(η^5^-indenyl)methylhafnium(IV)]","Acta Crystallographica Section C","1998","54","11","1617","1618","10.1107/S0108270198005368","","","0.71069","MoKα","","","0.028","","","","0.028","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007813","10.526","0.006","14.03","0.004","16.884","0.004","93.16","0.02","103.19","0.03","110.99","0.03","2240.7","1.6","293","","","","","","","","","","","7","P -1","-P 1","2","","pyridino-1κN-μ-nitrobenzolate-2κO;3κO'- tris(diethoxyldithiophosphate)-1κ^2^S,S';2κ^2^S,S';3κ^2^S,S'-μ~3~- thio-tri-μ-thio-1:2κ^2^S;1:3κ^2^S;2:3κ^2^S-triangulo-trimolybdenum","","- C24 H39 Mo3 N2 O10 P3 S10 -","- C24 H39 Mo3 N2 O10 P3 S10 -","- C48 H78 Mo6 N4 O20 P6 S20 -","2","1","FR1109","Xia, Ji-Bo; Yao, Yuan-Gen; Wu, Ling; Huang, Xiao-Ying; Lu, Jia-Xi","A Trinuclear Molybdenum Cluster Coordinated by <i>o</i>-Nitrobenzoate","Acta Crystallographica Section C","1998","54","11","1612","1615","10.1107/S010827019800482X","","","0.71069","MoKα","","","0.044","","","0.055","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007814","22.8039","0.0011","10.334","0.0008","26.1543","0.0015","90","","90","","90","","6163.4","0.7","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(bromotri(p-tolyl)tin(IV))","","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C236 H288 Br8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.158","0.044","","0.131","0.101","","","","1.01","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007815","22.7565","0.0012","10.3774","0.0011","26.752","0.003","90","","90","","90","","6317.6","1","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(iodotri(p-tolyl)tin(IV))","","- C59 H72 I2 N2 O2 S2 Sn2 -","- C59 H72 I2 N2 O2 S2 Sn2 -","- C236 H288 I8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.096","0.028","","0.073","0.054","","","","1.04","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007816","16.555","0.001","10.062","0.001","12.972","0.002","90","","93.153","0.008","90","","2157.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","μ‒oxobis[(endo‒isodicyclopentadienyl)dichlorotitanium(IV)]","","","- C20 H22 Cl4 O Ti2 -","- C20 H22 Cl4 O Ti2 -","- C80 H88 Cl16 O4 Ti8 -","4","1","FR1123","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.","A [{TiCl~2~(isodiCp)}~2~(μ-O)] Dimer and a Twinned Cyclic [TiCl(isodiCp)(μ-O)]~4~ Tetramer","Acta Crystallographica Section C","1998","54","11","1609","1612","10.1107/S0108270198006945","","","0.7093","MoKα","","0.125","0.047","","0.096","0.079","","","","1.198","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007817","16.331","0.001","16.331","0.001","7.498","0.001","90","","90","","90","","1999.7","0.3","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","cyclo-tetrakis[μ‒oxo(endo‒isodicylopentadienyl)chlorotitanium(IV)]","","","- C40 H44 Cl4 O4 Ti4 -","- C40 H44 Cl4 O4 Ti4 -","- C80 H88 Cl8 O8 Ti8 -","2","0.25","FR1123","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.","A [{TiCl~2~(isodiCp)}~2~(μ-O)] Dimer and a Twinned Cyclic [TiCl(isodiCp)(μ-O)]~4~ Tetramer","Acta Crystallographica Section C","1998","54","11","1609","1612","10.1107/S0108270198006945","","","0.7093","MoKα","","0.045","0.026","","0.073","0.064","","","","1.176","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007818","8.411","0.0007","11.8372","0.0009","11.1004","0.0009","90","","100.066","0.001","90","","1088.17","0.15","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 B N O Si -","- C7 H20 B N O Si -","- C28 H80 B4 N4 O4 Si4 -","4","1","FR1124","Ramon Huertas; Jesus R. Medina; John A. Soderquist; Songping D. Huang","<i>N</i>-Borane-<i>N</i>-(trimethylsilyl)morpholine","Acta Crystallographica Section C","1998","54","11","1645","1647","10.1107/S0108270198007410","","","0.7107","MoKα","","0.045","0.032","","0.0557","","0.05","","","1.124","","","1.17","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007819","9.224","0.002","27.735","0.006","10.497","0.003","90","","112.42","0.01","90","","2482.4","1.1","163","","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis-dicyclohexano-18-crown-6 sodium perrhenate","cis-syn-cis-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane sodium perrhenate","","- C20 H36 Na O10 Re -","- C20 H36 Na O10 Re -","- C80 H144 Na4 O40 Re4 -","4","1","FR1125","Bryan, Jeffrey C.","<i>cis</i>‒<i>syn</i>‒<i>cis</i>-Dicyclohexano-18-crown-6 Sodium Perrhenate","Acta Crystallographica Section C","1998","54","11","1569","1571","10.1107/S0108270198007422","","","0.71073","MoKα","","0.054","0.035","","0.095","0.086","","","","1.12","1.16","1.16","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007820","8.044","0.001","17.093","0.001","6.949","0.001","90","","105.92","0.01","90","","918.81","0.19","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-ammoniosalicylic acid chloride monohydrate","5-ammoniosalicylic acid chloride monohydrate","","- C7 H10 Cl N O4 -","- C7 H10 Cl N O4 -","- C28 H40 Cl4 N4 O16 -","4","1","FR1127","Dobson, Allison J.; Gerkin, Roger E.","5-Ammoniosalicylic Acid Chloride Monohydrate","Acta Crystallographica Section C","1998","54","11","1632","1634","10.1107/S0108270198007045","","","0.71073","MoKα","","","0.036","","","0.057","","","","","2.98","2.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007821","7.9494","0.0009","13.3702","0.0007","14.9355","0.0008","90","","90","","90","","1587.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis-1,2-(o-nitrophenoxy)benzene","","","- C18 H12 N2 O6 -","- C18 H12 N2 O6 -","- C72 H48 N8 O24 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.042","0.042","","0.114","","0.114","","","1.025","1.05","1.05","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007822","10.9111","0.0007","18.0088","0.0009","7.583","0.0006","90","","93.362","0.008","90","","1487.46","0.17","173","","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis-1,2-(o-aminophenoxy)benzene","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.057","0.039","","","","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007823","8.6656","0.0006","17.7913","0.0014","10.7602","0.0006","90","","97.548","0.006","90","","1644.6","0.2","296","","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meso-bis-1,2-(2'-hydroxycyclohexyloxy)benzene","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.06","0.033","","","","0.09","","","1.03","1.09","1.09","1.04","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007824","4.8554","0.0006","4.8554","0.0006","23.2156","0.0017","90","","90","","120","","473.98","0.09","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Barium cobalt(II) phosphate","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba3 Co6 O24 P6 -","3","0.166667","FR1136","Bircsak, Zsolt; Harrison, William T. A.","Barium Cobalt Phosphate, BaCo~2~(PO~4~)~2~","Acta Crystallographica Section C","1998","54","11","1554","1556","10.1107/S010827019800794X","","","0.71073","MoKα","","0.0175","0.017","","","","0.045","","","","","","1.178","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007825","18.797","0.002","9.5553","0.0006","19.4819","0.0013","90","","109.574","0.006","90","","3296.9","0.5","173","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","mer-(triphenylphosphine)(triphenylphosphine oxide)trichlorooxorhenium(V)","","","- C36 H30 Cl3 O2 P2 Re -","- C36 H30 Cl3 O2 P2 Re -","- C144 H120 Cl12 O8 P8 Re4 -","4","1","FR1142","Bryan, Jeffrey C.; Perry, Marc C.; Arterburn, Jeffrey B.","Trichlorooxo(triphenylphosphine)(triphenylphosphine oxide)rhenium(V)","Acta Crystallographica Section C","1998","54","11","1607","1608","10.1107/S010827019800818X","","","0.71073","MoKα","","0.07","0.0399","","0.11","0.0986","","","","1.031","1.074","1.074","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007826","6.027","0.003","8.608","0.002","22.935","0.004","97.75","0.02","93.72","0.04","98.87","0.04","1160.4","0.7","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O4 P -","- C23 H33 N O4 P -","- C46 H66 N2 O8 P2 -","2","1","GS1002","Grimaldi, Sandra; Siri, Didier; Finet, Jean-Pierre; Tordo, Paul","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>-(1-dibenzylphosphono-2,2-dimethylpropyl)nitroxide","Acta Crystallographica Section C","1998","54","11","1712","1714","10.1107/S0108270198005216","","","0.71073","MoKα","","0.126","0.049","","","0.067","","","","","1.102","1.102","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007827","13.385","0.004","5.215","0.001","22.159","0.004","90","","107.29","0.04","90","","1476.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","L'Anhydride Cis-1,2,3,6-Tétrahydrophtalique","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","GS1003","Ben Fredj, Arij; Ben Redjeb, Sadok; Ben Amor, Fatma; Driss, Ahmed","L'Anhydride <i>cis</i>-1,2,3,6-Tétrahydrophtalique","Acta Crystallographica Section C","1998","54","11","1710","1712","10.1107/S0108270198006957","","","0.71069","MoKα","","0.091","0.045","","0.114","0.099","","","","1.082","1.252","1.252","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007828","7.2694","0.0011","9.649","0.002","25.045","0.004","90","","90","","90","","1756.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(3-furyl)-1,4,4a,5,9,10,10a,10b-octahydro-4-hydroxy-4a,10a-dimethyl-1,4- etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","HA1216","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Fibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1998","54","11","1649","1651","10.1107/S0108270198007069","","","0.71073","MoKα","","0.088","0.053","","0.142","0.129","","","","0.912","1.093","1.093","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007829","9.0498","0.0002","5.2275","0.0001","25.0771","0.0002","90","","97.71","","90","","1175.62","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","o-Phenylenediamine and Pyrocatechol (1:1) monohydrate complex","","- C12 H15 N2 O2.5 -","- C12 H15 N2 O2.5 -","- C48 H60 N8 O10 -","4","1","HA1221","Shyamaprosad Goswami; Reshmi Mukherjee; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","<i>o</i>-Phenylenediamine Pyrocatechol Hemihydrate Complex","Acta Crystallographica Section C","1998","54","11","1647","1649","10.1107/S0108270198006751","","","0.71073","MoKα","","0.0601","0.0411","","0.1066","0.0959","","","","1.057","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007830","8.205","0.001","10.319","0.001","27.168","0.003","90","","90","","90","","2300.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'R)-1,5-Dimethyl-4-phenyl-3-acetyl-[2'-phenyl-2'(1-naphthyl)] -imidazolidin-2-one","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","HA1223","Baggio, Ricardo; Lotz, Guillermo; Palacios, Sara; Mariezcurrena, Raúl A.","(4<i>S</i>,5<i>R</i>,2'<i>R</i>)-3,4-Dimethyl-1-[2'-(1-naphthyl)-2'-phenylacetyl]-5-phenylimidazolidin-2-one","Acta Crystallographica Section C","1998","54","11","1677","1679","10.1107/S0108270198006453","","","0.71073","MoKα","","0.073","0.04","","","","0.087","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007831","11.438","0.002","8.902","0.001","17.189","0.003","90","","96.35","0.01","90","","1739.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br2 N2 O2 -","- C17 H16 Br2 N2 O2 -","- C68 H64 Br8 N8 O8 -","4","1","JZ1285","Elerman, Yalc̨in; Elmali, Ayhan; Kabak, Mehmet; Svoboda, Ingrid","<i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-1,3-propanediamine","Acta Crystallographica Section C","1998","54","11","1701","1703","10.1107/S0108270198005046","","","0.71069","MoKα","","0.1253","0.0365","","0.0967","0.0727","","","","0.98","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007832","7.788","0.001","7.796","0.001","9.457","0.001","68.11","0.01","72.9","0.01","87.94","0.01","507.47","0.12","292","","292","","","","","","","","","5","P -1","-P 1","2","","1,3-Propanediammonium Tetrachloromercurate","","- C3 H12 Cl4 Hg N2 -","- C3 H12 Cl4 Hg N2 -","- C6 H24 Cl8 Hg2 N4 -","2","1","JZ1287","Spengler, Roland; Zouari, Ridha; Zimmermann, Helmuth; Ben Salah, Abdelhamid; Burzlaff, Hans","1,3-Propanediammonium Tetrachloromercurate","Acta Crystallographica Section C","1998","54","11","1628","1631","10.1107/S0108270198008282","","","0.70926","MoKα","","0.034","0.034","","0.071","0.048","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007833","12.7462","0.001","9.1967","0.0005","11.495","0.0009","90","","114.977","0.007","90","","1221.46","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trichloro-1,2,3-trimethylbenzenebismuth(III)","","- C9 H12 Bi Cl3 -","- C9 H12 Bi Cl3 -","- C36 H48 Bi4 Cl12 -","4","1","JZ1297","Frank, Walter; Reiland, Vera","Heavy-Metal π Complexes. 13. Trichloro(1,2,3-trimethylbenzene)bismuth(III)","Acta Crystallographica Section C","1998","54","11","1626","1628","10.1107/S0108270198008294","","","0.71073","MoKα","","0.0308","0.0261","","","","0.0629","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007834","6.291","0.002","11.009","0.002","20.185","0.0011","90","","93.939","0.011","90","","1394.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl3 O4 -","- C11 H13 Cl3 O4 -","- C44 H52 Cl12 O16 -","4","1","KA1266","Zsolt Böcskei; Zoltán Hell; Zoltán Finta; László Töke; Kálmán Simon","A Bicyclic Cyclopropane Carboxylic Acid Lactone from a Solid‒Liquid PTC Reaction","Acta Crystallographica Section C","1998","54","11","1694","1695","10.1107/S0108270198007951","","","1.54178","CuKα","","0.1216","0.0587","","0.1896","0.1399","","","","1.088","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007835","14.346","0.007","8.431","0.003","6.019","0.002","90","","99.48","0.05","90","","718.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly-[(Ammine)0.7-(aqua)0.3-zinc(II)-tricyanocuprate(I)]","","- C3 H2.7 Cu N3.7 O0.3 Zn -","- C3 Cu N3.7 O0.3 Zn -","- C12 Cu4 N14.8 O1.2 Zn4 -","4","0.5","KA1270","Černák, Juraj; Žák, Zdirad; Chomič, Jozef; Kappenstein, Charles","Copper‒Zinc Oxide Catalysts. VII. Zn(NH~3~)~0.7~(H~2~ O)~0.3~Cu(CN)~3~","Acta Crystallographica Section C","1998","54","11","1551","1553","10.1107/S0108270198007021","","","0.71073","MoKα","","0.074","0.036","","0.133","0.106","","","","1.155","1.242","1.242","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007836","10.167","0.002","14.499","0.003","17.86","0.004","90","","92.5","0.03","90","","2630.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexa potassium μ-oxo-bis{[2-hydroxy-κO-1,2,3-propanetricarboxylato(4-)-O^1^,O^2^] dioxomolybdenum(IV)} dihydrate","","- C12 H12 K6 Mo2 O21 -","- C24 H16 K12 Mo4 O42 -","- C48 H32 K24 Mo8 O84 -","2","0.25","KA1274","Xing, Yong-Heng; Xu, Ji-Qing; Sun, Hao-Ran; Li, Dong-Mei; Wang, Ren-Zhang; Wang, Tie-Gang; Bu, Wei-Ming; Ye, Ling; Yang, Guang-Di; Fan, Yu-Guo","Hexapotassium μ-Oxo-bis[(citrato)dioxomolybdenum] Dihydrate","Acta Crystallographica Section C","1998","54","11","1615","1616","10.1107/S0108270198006519","","","0.71073","MoKα","","0.05","0.04","","0.108","0.102","","","","1.068","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007837","7.303","0.001","8.583","0.002","10.489","0.002","100.92","0.03","103.27","0.03","98.88","0.03","614.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4,5-Dihydroimidazol-2-yl)phthalazinone-1 Hydroiodides","","- C11 H11 I N4 O -","- C11 H11 I N4 O -","- C22 H22 I2 N8 O2 -","2","1","KA1276","Główka, Marek L.; Książek, Waldemar","2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5-dihydroimidazolium Iodide and 2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5,6,7-tetrahydro-1,3-diazepinium Iodide","Acta Crystallographica Section C","1998","54","","1691","1693","10.1107/S010827019800701X","","","1.54178","CuKα","","0.047","0.042","","","0.115","0.119","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007838","8.196","0.002","8.55","0.002","10.787","0.002","77.43","0.03","73.15","0.03","83.58","0.03","705.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4,5,6,7-Tetrahydrodiazepin2-yl)phthalazinone-1 Hydroiodides","","- C13 H15 I N4 O -","- C13 H15 I N4 O -","- C26 H30 I2 N8 O2 -","2","1","KA1276","Główka, Marek L.; Książek, Waldemar","2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5-dihydroimidazolium Iodide and 2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5,6,7-tetrahydro-1,3-diazepinium Iodide","Acta Crystallographica Section C","1998","54","","1691","1693","10.1107/S010827019800701X","","","1.54178","CuKα","","0.05","0.043","","","0.111","0.119","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007839","7.631","0.002","10.888","0.002","9.917","0.002","90","","94.14","0.03","90","","821.8","0.3","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5 Dinitroindazole","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","KA1282","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1,5-Dinitro-1<i>H</i>-indazole","Acta Crystallographica Section C","1998","54","11","1687","1689","10.1107/S0108270198007434","","","0.71073","MoKα","","0.051","0.041","","","","0.117","","","","","","1.183","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007840","9.022","0.001","11.052","0.001","26.58","0.003","90","","90","","90","","2650.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl glycyl-L-valyl-L-tryptophan methyl ester","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","1","NA1355","Sankaran Banumathi; Devadasan Velmurugan; Easwara Subramanian; Sethuram Bandacharya Katti; Wahajul Haq","Methyl <i>N</i>-(<i>tert</i>-Butoxycarbonyl)glycyl-<small>L</small>-valyl-<small>L</small>-tryptophanate","Acta Crystallographica Section C","1998","54","11","1681","1683","10.1107/S0108270198005460","","","1.5418","CuKα","","0.064","0.051","","","","0.178","","","","","","0.913","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007841","7.055","0.002","12.531","0.002","24.464","0.002","90","","90","","90","","2162.8","0.7","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O3 S3 -","- C20 H25 N O3 S3 -","- C80 H100 N4 O12 S12 -","4","1","NA1360","Kuhl, Alexander; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","13,13-Ethylenedithio-3-mesyloxy-18-nor-13,17-secoestra-1,3,5(10)-triene-17-nitrile","Acta Crystallographica Section C","1998","54","11","1714","1716","10.1107/S0108270198005472","","","0.71069","MoKα","","0.149","0.058","","","","0.109","","","","","","1.148","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007842","12.243","0.002","12.243","0.002","32.923","0.004","90","","90","","90","","4934.9","1.3","293","","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","octa(μ-methoxo)octa(μ-oxo)octaoxotetrapyridineoctamolybdenum(V)","","- C28 H44 Mo8 N4 O24 -","- C28 H44 Mo8 N4 O24 -","- C112 H176 Mo32 N16 O96 -","4","0.25","NA1365","Modec, Barbara; Brenčič, Jurij V.; Rotar, Rok; Golič, Ljubo; Prout, Keith","An Oxomolybdenum(V) Cluster, [Mo~8~O~16~(OCH~3~)~8~(C~5~H~5~N)~4~]","Acta Crystallographica Section C","1998","54","11","1573","1575","10.1107/S0108270198006106","","","0.71069","MoKα","","","0.027","","","","0.028","","","","","","0.976","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007843","8.341","0.0011","9.2516","0.0011","13.522","0.002","81.329","0.009","84.722","0.009","68.05","0.007","956","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(S)-5-fluoroformyl-1-triphenylmethylpyrrolid-2-one","","- C24 H20 F N O2 -","- C24 H20 F N O2 -","- C48 H40 F2 N2 O4 -","2","2","NA1368","Vassilios Nastopoulos; George Karigiannis; Petros Mamos; Dionissios Papaioannou; Constantin Kavounis","(<i>S</i>)-<i>N</i>-Triphenylmethylpyroglutamyl Fluoride","Acta Crystallographica Section C","1998","54","11","1718","1720","10.1107/S010827019800729X","","","0.71069","MoKα","","0.07","0.042","","","","0.12","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007844","8.65","0.004","14.309","0.006","11.042","0.003","90","","105.83","0.03","90","","1314.9","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 Cu N4 O5 -","- C20 H44 Cl2 Cu N4 O5 -","- C40 H88 Cl4 Cu2 N8 O10 -","2","1","OA1052","Kojima, Yoshitane; Seki, Yoshio; Yasuda, Showji; Hirotsu, Ken; Miyake, Hiroyuki","A Copper(II) Complex of a Structurally Reinforced Chiral 14-Membered Aza-Macrocycle","Acta Crystallographica Section C","1998","54","11","1602","1604","10.1107/S0108270198002637","","","0.7107","MoKα","","","0.046","","","0.053","","","","","","","1.367","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007845","17.036","0.006","16.501","0.004","19.517","0.005","90","","104.62","0.02","90","","5309","3","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(pentafluoro)phenylborane-water","","- C23 H12 B Cl2 F15 O3 -","- C23 H12 B Cl2 F15 O3 -","- C184 H96 B8 Cl16 F120 O24 -","8","1","OS1004","Janiak, Christoph; Braun, Lothar; Scharmann, Tobias G.; Girgsdies, Frank","A Water Adduct of Tris(pentafluorophenyl)borane: (C~6~F~5~)~3~B(OH~2~)‒Dioxane‒CH~2~Cl~2~ (1/1/1)","Acta Crystallographica Section C","1998","54","11","1722","1724","10.1107/S0108270198007252","","","0.71069","MoKα","","0.119","0.046","","0.124","0.099","","","","1.003","1.138","1.138","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007846","5.129","0.001","8.84","0.002","10.1","0.002","90","","91.36","0.03","90","","457.81","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B Co Li O3 -","- B Co Li O3 -","- B8 Co8 Li8 O24 -","8","1","OS1009","Piffard, Yves; Rangan, Krishnaswamy Kasthuri; An, Yonglin; Guyomard, Dominique; Tournoux, Michel","Cobalt Lithium Orthoborate, LiCoBO~3~","Acta Crystallographica Section C","1998","54","11","1561","1563","10.1107/S0108270198007458","","","0.71073","MoKα","","0.081","0.033","","0.069","0.058","","","","0.977","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007847","8.736","0.002","9.909","0.002","12.705","0.003","70.37","0.03","76.86","0.03","88.74","0.03","1007","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(mu)~2~-chloro)-bis(η-5]-trimethylsilyl-cyclopentadienyl)samarium(iii))","","- C32 H52 Cl2 Si4 Sm2 -","- C16 H26 Cl Si2 Sm -","- C32 H52 Cl2 Si4 Sm2 -","2","1","OS1010","Marie-Rose Spirlet; Jean Goffart","Dicyclopentadienyl Complexes of Samarium(III): [Sm(η^5^-C~5~H~4~SiMe~3~)~2~(μ-Cl)]~2~","Acta Crystallographica Section C","1998","54","11","1624","1626","10.1107/S0108270198008300","","","0.71073","MoKα","","0.07","0.0613","","0.0673","0.0673","","","","2.65","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007848","21.198","0.008","6.3283","0.0009","35.442","0.009","90","","104.44","0.02","90","","4604","2","122","0.5","122","2","","","","","","","","4","C 1 2 1","C 2y","5","","Quininium (S,S)-hydrogen tartrate hemihydrate","","- C48 H62 N4 O17 -","- C48 H62 N4 O17 -","- C192 H248 N16 O68 -","4","1","OS1012","Ryttersgaard, Carsten; Larsen, Sine","Quininium Hydrogen (<i>S</i>,<i>S</i>)-Tartrate Hemihydrate, a Salt with a Unique Conformation of the Hydrogen Tartrate Ion","Acta Crystallographica Section C","1998","54","11","1698","1701","10.1107/S0108270198004399","","","1.5418","CuKα","","0.039","0.0366","","","","0.0976","","","","","","1.036","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007849","13.637","0.002","7.866","0.002","12.844","0.001","90","","109.574","0.008","90","","1298.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-mercaptoethyl)-2-methyl-1,2-dicarba-closo-dodecaborane(12)","","- C5 H18 B10 S -","- C5 H18 B10 S -","- C20 H72 B40 S4 -","4","1","OS1018","Raikko Kivekäs; Josefina Pedrajas; Francesc Teixidor; Reijo Sillanpää","1-(2-Mercaptoethyl)-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","11","1716","1718","10.1107/S0108270198007264","","","0.71069","MoKα","","0.085","0.051","","0.172","0.145","","","","1.055","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007850","8.553","0.004","12.86","0.005","15.53","0.007","90","","104.08","0.04","90","","1656.9","1.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloro(tetrahydrofuran-O)[tris(1-pyrazolyl-N^2^)borato]vanadium(III)","","- C13 H18 B Cl2 N6 O V -","- C13 H18 B Cl2 N6 O V -","- C52 H72 B4 Cl8 N24 O4 V4 -","4","1","OS1019","Rehder, Dieter; Gailus, Hartmut; Schmidt, Hauke","Dichloro(tetrahydrofuran-<i>O</i>)[tris(1-pyrazolyl-<i>N</i>^2^)borato]vanadium(III)","Acta Crystallographica Section C","1998","54","11","1590","1592","10.1107/S010827019800612X","","","0.71073","MoKα","","0.086","0.057","","0.151","0.136","","","","1.031","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007851","10.881","0.005","10.878","0.005","13.794","0.004","90","","109.77","0.03","90","","1536.5","1.1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","OS1031","Pajunen, Aarne; Mariitta Kokko","1,5-Diphenylbicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,<i>endo</i>-3-dicarboxylic Anhydride and 1,5-diphenylbicyclo[2.2.1]hept-5-ene-<i>exo</i>-2,<i>exo</i>-3-dicarboxylic Anhydride","Acta Crystallographica Section C","1998","54","11","1724","1727","10.1107/S010827019800849X","","","0.71073","MoKα","","0.0529","0.0475","","","","0.1317","","","","","","1.078","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007852","6.455","0.001","24.917","0.005","10.016","0.002","90","","103.11","0.03","90","","1569","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","OS1031","Pajunen, Aarne; Mariitta Kokko","1,5-Diphenylbicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,<i>endo</i>-3-dicarboxylic Anhydride and 1,5-diphenylbicyclo[2.2.1]hept-5-ene-<i>exo</i>-2,<i>exo</i>-3-dicarboxylic Anhydride","Acta Crystallographica Section C","1998","54","11","1724","1727","10.1107/S010827019800849X","","","0.71073","MoKα","","0.069","0.0509","","","","0.1134","","","","","","1.061","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007853","9.897","0.001","12.97","0.002","13.516","0.003","86.92","0.01","83.19","0.01","76.28","0.01","1673","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Tetracyclohexylcyclotetraphosphinepentacarbonylchrom(0)","","- C29 H44 Cr O5 P4 -","- C29 H44 Cr O5 P4 -","- C58 H88 Cr2 O10 P8 -","2","1","QA0055","Deeg, Axel; Wunderlich, Hartmut","Pentacarbonyl(1,2,3,4-tetracyclohexylcyclotetraphosphane-<i>P</i>)chromium(0), [Cr(CO)~5~(chexP)~4~]","Acta Crystallographica Section C","1998","54","11","IUC9800054","","10.1107/S0108270198099260","","","0.71073","MoKα","","0.0483","0.0328","","","","0.0985","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007854","6.4252","0.0009","8.6755","0.0014","14.856","0.003","73.359","0.013","83.302","0.013","74.22","0.012","762.8","0.2","125","2","125","2","","","","","","","","2","P -1","-P 1","2","","E-2,5-Bis(dimethyl)-3,4-diisopropyl-hexa-3-ene","","- C16 H32 -","- C16 H32 -","- C32 H64 -","2","1","QA0056","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","(<i>E</i>)-3,4-Diisopropyl-2,5-dimethylhex-3-ene at 125K","Acta Crystallographica Section C","1998","54","11","IUC9800055","","10.1107/S0108270198099247","","","0.71073","MoKα","","0.071","0.0466","","","","0.124","","","","","","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007855","15.096","0.004","7.329","0.002","16.176","0.004","90","","90","","90","","1789.7","0.8","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(1-Methylimidazole-N^3^)triphenylboron","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","QA0057","Bélanger, Suzanne; Beauchamp, André L.","(1-Methylimidazole-<i>N</i>^3^)triphenylboron","Acta Crystallographica Section C","1998","54","11","IUC9800057","","10.1107/S0108270198099223","","","1.54056","CuKα","","0.073","0.037","","0.078","","0.068","","","0.95","","","0.96","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007856","7.837","0.004","15.807","0.009","7.02","0.006","90.41","0.06","108.66","0.05","86.73","0.05","822.5","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(±)-(1S)-2-(2-Methyl-1,3-dioxolan-2-yl)-1-[(1S)-2-methylenecyclopropyl] ethyl-4-nitro-1-benzenecarboxylate","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","QA0058","Boffey, Raymond J.; Kilburn, Jeremy D.; Webster, Michael","(±)-(1<i>S</i>)-2-(2-Methyl-1,3-dioxolan-2-yl)-1-[(1<i>S</i>)-2-methylenecyclopropyl]-1-ethyl 4-Nitrobenzoate","Acta Crystallographica Section C","1998","54","11","IUC9800056","","10.1107/S0108270198099235","","","0.71073","MoKα","","0.1246","0.0539","","","","0.1784","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007857","16.232","0.001","7.449","0.0004","16.125","0.001","90","","103.8","0.01","90","","1893.4","0.2","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetra(methylammonium)chloride hexachloroindiumate","","- C4 H24 Cl7 In N4 -","- C4 H24 Cl7 In N4 -","- C16 H96 Cl28 In4 N16 -","4","1","QA0060","Rothammel, Walter; Spengler, Roland; Burzlaff, Hans; Jarraya, S.; Ben Salah, Abdelhamid","Redetermination of Tetrakis(methylammonium) Hexachloroindate Chloride","Acta Crystallographica Section C","1998","54","11","IUC9800059","","10.1107/S0108270198099284","","","0.70926","MoKα","","","0.052","","","0.03","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007858","9.9115","0.0013","12.4531","0.0013","16.053","0.003","90","","90","","90","","1981.4","0.5","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S,4aR,10as)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","QA0061","Low, John N.; Ferguson, George; López M. Dolores; Quijano M. Luisa; Sánchez, Adolfo; Nogueras, Manuel; Cobo, Justo","(3<i>S</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5-Acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridine-3,4-diyl Diacetate","Acta Crystallographica Section C","1998","54","11","IUC9800060","","10.1107/S0108270198099211","","","0.7107","MoKα","","0.095","0.051","","","","0.124","","","","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007859","13.543","0.004","10.2302","0.0015","8.894","0.003","90","","108.54","0.03","90","","1168.3","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ammonium manganese (II) gallium phosphate dihydrate","","- Ga2 H4 Mn N O14 P3 -","- Ga2 H4 Mn N O14 P3 -","- Ga8 H16 Mn4 N4 O56 P12 -","4","0.5","QA0062","Chippindale, Ann M.; Cowley, Andrew R.; Bond, Andrew D.","A New Ammonium Manganese(II) Gallium Phosphate Hydrate: NH~4~[MnGa~2~(PO~4~)~3~(H~2~ O)~2~]","Acta Crystallographica Section C","1998","54","11","IUC9800061","","10.1107/S0108270198099272","","","1.5418","CuKα","","","0.03","","","0.034","","","","","1.081","1.081","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007860","14.649","0.003","12.893","0.003","26.218","0.005","90","","93.14","0.02","90","","4944.3","1.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.98 H12.54 Cl F20 Fe N4 -","- C44 H8 Cl F20 Fe N4 -","- C176 H32 Cl4 F80 Fe4 N16 -","4","1","QB0063","Song, Byungho; Swenson, Dale C.; Goff, Harold M.","Chloro[5,10,15,20-tetrakis(pentafluorophenyl)porphinato]iron(III) 0.57-Toluene Solvate","Acta Crystallographica Section C","1998","54","11","IUC9800058","","10.1107/S0108270198099259","","","0.7107","MoKα","","0.153","0.069","","","","0.216","","","","","","0.879","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007861","12.1159","0.0016","12.7354","0.0019","13.824","0.003","112.98","0.02","93.55","0.02","104.94","0.02","1865.4","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cu2 N4 O5 -","- C40 H46 Cu2 N4 O5 -","- C80 H92 Cu4 N8 O10 -","2","1","SK1071","Lu, Tian-Huey; Yao, Hsueh-Hua; Lo, Jem-Mau; Tung, Shu-Fang","An Ethanol-Solvated Copper(II) Complex of 1,3-Bis(2-hydroxybenzylimino)pentane","Acta Crystallographica Section C","1998","54","11","1600","1602","10.1107/S0108270198004831","","","0.71073","MolybdenumKα","","0.051","0.051","","0.041","0.041","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007862","7.796","0.003","9.627","0.004","12.792","0.004","90","0.03","90","0.03","90","0.03","960.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,7S,8aS)-1,7-dihydroxyindolizidine","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C32 H68 N4 O12 -","4","1","SK1094","Garofano, Lidia; Guerri, Annalisa; Orioli, Pierluigi","(1<i>R</i>,7<i>S</i>,8a<i>S</i>)-1,7-Dihydroxyindolizidine Hydrate","Acta Crystallographica Section C","1998","54","11","1705","1707","10.1107/S0108270198005939","","","0.71069","MoKα","","0.056","0.043","","0.131","0.122","","","","1.062","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007863","22.943","0.004","5.893","0.013","20.541","0.005","90","","90.49","0.03","90","","2777","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(oxo-5 prolinato)zinc(II)","","- C10 H16 N2 O8 Zn -","- C10 H16 N2 O8 Zn -","- C80 H128 N16 O64 Zn8 -","8","1","SK1173","Loireau-Lozach, A. M.; Céolin, R.; Solans, X.; Font-Bardia, M.","Racemic Phase of Diaquabis(5-oxoprolinato)zinc(II)","Acta Crystallographica Section C","1998","54","11","1571","1573","10.1107/S0108270198006039","","","0.71069","MoKα","","0.102","0.059","","0.181","0.145","","","","1.041","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007864","11.311","0.001","3.61","0.001","4.8","0.001","90","","90","","90","","196","0.07","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","SK1183","Meetsma, Auke; de Boer, Jan L.; Damascelli, A.; Jegoudez, J.; Revcolevschi, A.; Palstra, T.T.M.","Inversion Symmetry in the Spin-Peierls Compound α'-NaV~2~O~5~","Acta Crystallographica Section C","1998","54","11","1558","1561","10.1107/S0108270198004855","","","0.71073","MoKα","","0.0176","0.0151","","","","0.0386","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007865","9.331","0.004","10.678","0.003","12.884","0.003","65.94","0.02","78.75","0.02","83.8","0.03","1149.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-N,N')(3,6-dichloro-2,5- dihydroxy-1,4-benzoquinato-O,O')copper(II)-Acetonitrile Solvate","","- C21 H15.5 Cl2 Cu N2.5 O9 -","- C21 H15.5 Cl2 Cu N2.5 O9 -","- C42 H31 Cl4 Cu2 N5 O18 -","2","1","SK1187","Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio","Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-<i>N</i>,<i>N</i>')(3,6-dichloro-4,5-dihydroxy-1,2-benzoquinonato-<i>O</i>^4^,<i>O</i>^5^)copper(II) Acetonitrile Hemisolvate","Acta Crystallographica Section C","1998","54","11","1578","1580","10.1107/S0108270198006507","","","0.71073","MoKα","","0.1666","0.0566","","","","0.1449","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007866","13.7975","0.0013","11.9811","0.0007","14.261","0.002","90","","110.516","0.01","90","","2208","0.4","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2)","","- C26 H22 N4 O3 -","- C26 H22 N4 O3 -","- C104 H88 N16 O12 -","4","1","SK1206","Lavender, Emma S.; Glidewell, Christopher; Ferguson, George","1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2): a Hydrogen-Bonded Structure Based on a Stem-and-Leaves Motif","Acta Crystallographica Section C","1998","54","11","1637","1639","10.1107/S0108270198007483","","","0.7107","MoKα","","0.087","0.038","","","","0.098","","","","","","0.992","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007867","8.468","0.0007","11.0388","0.0009","21.743","0.0017","90","","97.897","0.006","90","","2013.2","0.3","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Sulfonyldiphenol‒2,2'bipyridyl (1/1)","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C88 H72 N8 O16 S4 -","4","1","SK1207","Lavender, Emma S.; Glidewell, Christopher; Ferguson, George","Pairwise-Interlocked Chains in 4,4'-Sulfonyldiphenol‒2,2'-Bipyridyl (1/1)","Acta Crystallographica Section C","1998","54","11","1639","1642","10.1107/S0108270198007471","","","0.7107","MoKα","","0.057","0.038","","","","0.096","","","","","","1.026","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007868","6.5872","0.0006","16.06","0.002","14.876","0.001","90","","98.759","0.006","90","","1555.4","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","αlpha, αlpha-bis(4-chlorophenyl)-5-pyrimidinemethanol","","- C17 H12 Cl2 N2 O -","- C17 H12 Cl2 N2 O -","- C68 H48 Cl8 N8 O4 -","4","1","SX1057","Caruso, Francesco; Rossi, Miriam","Bis(4-chlorophenyl)(5-pyrimidinyl)methanol","Acta Crystallographica Section C","1998","54","11","1668","1670","10.1107/S0108270198003485","","","1.54178","CuKα","","0.072","0.072","","0.098","0.098","","","","1","1","1","","","","","has coordinates","278321","2022-10-03","12:07:34",""
"2007869","12.288","0.012","17.557","0.014","7.96","0.015","90","","90","","90","","1717","4","296","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano-2H,6H-dipyrido [1,2-a:1',2'-e][1,5]diazocine-N,N'}dinitrito-O;O,O'-copper(II)","","- C15 H26 Cu N4 O4 -","- C15 H26 Cu N4 O4 -","- C60 H104 Cu4 N16 O16 -","4","1","TA1191","Lee, Yong-Min; Choi, Sung-Nak; Suh, Il-Hwan; Bereman, Robert D.","({-})-Sparteine Copper(II) Dinitrite","Acta Crystallographica Section C","1998","54","11","1582","1584","10.1107/S0108270198005617","","","0.71073","MoKα","","","0.057","","","","0.084","","","","","","1.203","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007870","17.942","0.003","17.942","0.003","28.45","0.006","90","","90","","120","","7931","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- As6 H14 K6 O49 V15 -","- As6 K6 O49 V15 -","- As36 K36 O294 V90 -","6","0.166667","TA1192","Guo-Yu Yang; Lian-Shan Chen; Ji-Qing Xu; Ya-Feng Li; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yong-Hua Lin; Yan Xing; Heng-Qing Jia","K~6~[As~6~V~15~O~42~(H~2~O)].6H~2~O","Acta Crystallographica Section C","1998","54","11","1556","1558","10.1107/S0108270198005629","","","0.71073","MoKα","","0.042","0.031","","0.088","0.081","","","","1.143","1.269","1.269","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007871","9.925","0.002","9.472","0.002","10.347","0.002","90","","91.26","0.02","90","","972.5","0.3","130","2","130","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C H4.65 Al0.35 Co0.65 N O4 P -","- C H4.64 Al0.348 Co0.652 N O4 P -","- C8 H37.12 Al2.784 Co5.216 N8 O32 P8 -","8","1","TA1204","Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David","A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~","Acta Crystallographica Section C","1998","54","11","1564","1566","10.1107/S0108270198006842","","","0.71073","MoKα","","","0.054","","","0.064","","","","","1.358","1.358","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007872","4.669","0.002","9.622","0.003","16.377","0.006","90","","94.57","0.05","90","","733.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","TA1210","Abrahams, Brendan F.; Hoskins, Bernard F.; Robson, Richard; Slizys, Damian A.","1,4-Bis(imidazol-1-ylmethyl)benzene Dihydrate","Acta Crystallographica Section C","1998","54","11","1666","1668","10.1107/S0108270198004806","","","0.71069","MoKα","","0.15","0.07","","0.255","0.194","","","","1.011","1.161","1.161","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2007873","5.4367","0.0007","8.0061","0.0008","29.452","0.003","90","","90","","90","","1282","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O6 -","- C13 H14 N O6 -","- C52 H56 N4 O24 -","4","1","VJ1081","Sriram, D.; Srinivasan, S.; Priya, K.; Aruna, V.; Loganathan, D.","β-1-<i>N</i>-Benzamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","11","1670","1672","10.1107/S0108270198007306","","","1.5418","CuKα","","0.057","0.055","","0.161","0.157","","","","1.085","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007874","28.834","0.003","6.2885","0.0005","30.971","0.003","90","","93.778","0.013","90","","5603.5","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N2 O3 S Si -","- C30 H36 N2 O3 S Si -","- C240 H288 N16 O24 S8 Si8 -","8","1","AB1537","Boss, Christoph; Stoeckli-Evans, Helen; Keese, Reinhart","<i>trans</i>-7,7-Diphenyl-7-silabicyclo[3.3.0]octan-3-one <i>p</i>-Tosylhydrazone Tetrahydrofuran Solvate","Acta Crystallographica Section C","1998","54","12","1856","1858","10.1107/S0108270198005198","","","0.71073","MoKα","","0.104","0.077","","","","0.225","","","","","","0.989","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007875","9.0124","0.0011","9.0124","0.0011","21.08","0.006","90","","90","","120","","1482.8","0.5","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","Hexakis(imidazole-N^3^)nickel(II) carbonate pentahydrate.","","- C19 H34 N12 Ni O8 -","- C19 H31.98 N12 Ni O8 -","- C38 H63.96 N24 Ni2 O16 -","2","0.166667","BK1383","Povse, Vicente; Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa","Hexakis(imidazole-<i>N</i>^3^)nickel(II) Carbonate Pentahydrate","Acta Crystallographica Section C","1998","54","12","1817","1820","10.1107/S0108270198007409","","","0.71073","MoKα","","0.081","0.038","","0.112","0.091","","","","1.02","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007876","12.669","0.0004","12.6905","0.0004","15.8223","0.0005","73.092","0.001","78.875","0.001","78.849","0.001","2362.48","0.13","295","","295","","","","","","","","","5","P -1","-P 1","2","","tetrakis-tetramethylammonium dihydrogen-decavanadate acetic acid hydrate","","- C18 H59.6 N4 O32.8 V10 -","- C18 H59.58 N4 O32.79 V10 -","- C36 H119.16 N8 O65.58 V20 -","2","1","BK1385","Pecquenard, Brigitte; Zavalij, Peter Y.; Whittingham, M. Stanley","Tetrakis(tetramethylammonium) Dihydrogendecavanadate Acetic Acid 2.8-Hydrate, [N(CH~3~)~4~]~4~[H~2~V~10~O~28~].CH~3~COOH.2.8H~2~O","Acta Crystallographica Section C","1998","54","12","1833","1835","10.1107/S0108270198009044","","","0.7107","MoKα","","","0.046","","","0.071","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007877","13.1568","0.0006","7.9676","0.0004","16.1884","0.001","90","","96.246","0.005","90","","1686.93","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[N-(2-amino-ethyl-N)-1,2-ethylenediamine-N, N'](isonicotinate-N)(water) Copper(II) hexafluorophosphate","","- C10 H19 Cu F6 N4 O3 P -","- C10 H19 Cu F6 N4 O3 P -","- C40 H76 Cu4 F24 N16 O12 P4 -","4","1","BK1389","Nie, Feng-Mei; Wang, Zhe-Ming; Li, Yan-Mei; Zhao, Yu-Fen; Yan, Chun-Hua","Aqua(diethylenetriamine)(isonicotinato)copper(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","12","1853","1855","10.1107/S0108270198010725","","","0.71073","MoKα","","0.0393","0.0305","","","","0.0763","","","","","","1.12","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007878","14.566","0.003","7.886","0.002","14.395","0.003","90","","96.84","0.03","90","","1641.7","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-ethylthio-3H-1,2-dithiole-3-thione","","- C5 H6 S4 -","- C5 H6 S4 -","- C40 H48 S32 -","8","1","BK1396","Ricardo Baggio; Leandro L. Aimar; Rita H. de Rossi; Leopoldo Suescun","5-<i>R</i>-3<i>H</i>-1,2-Dithiole-3-thione (<i>R</i> = Ethylthio and Methylthio)","Acta Crystallographica Section C","1998","54","12","1902","1905","10.1107/S0108270198007793","","","0.71073","MoKα","","0.0327","0.0246","","","","0.0725","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007879","8.831","0.002","7.454","0.002","10.769","0.002","90","","100.74","0.03","90","","696.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methylthio-3H-1,2-dithiole-3-thione","","- C4 H4 S4 -","- C4 H4 S4 -","- C16 H16 S16 -","4","1","BK1396","Ricardo Baggio; Leandro L. Aimar; Rita H. de Rossi; Leopoldo Suescun","5-<i>R</i>-3<i>H</i>-1,2-Dithiole-3-thione (<i>R</i> = Ethylthio and Methylthio)","Acta Crystallographica Section C","1998","54","12","1902","1905","10.1107/S0108270198007793","","","0.71073","MoKα","","0.0457","0.0328","","0.0963","0.0876","","","","1.1","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007880","15.865","0.003","16.781","0.003","12.691","0.003","90","","124.72","0.02","90","","2777.1","1.2","273.2","","273.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 F12 N10 Ni2 P2 S2 -","- C10 H32 F12 N10 Ni2 P2 S2 -","- C40 H128 F48 N40 Ni8 P8 S8 -","4","0.5","BK1401","James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Hambley, Trevor W.","Bis[bis(ethylenediamine-<i>N</i>,<i>N</i>')(μ~<i>N~,{ıt S</i>}-thiocyanato)nickel(II)] Bis(hexafluorophosphate)","Acta Crystallographica Section C","1998","54","12","1809","1811","10.1107/S0108270198008841","","","0.7107","MoKα","","0.034","0.034","","0.047","","0.047","","","1.49","","","1.49","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007881","7.41","0.004","14.392","0.001","7.368","0.004","90","","90","","90","","785.8","0.6","291.2","","291","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Cl6 N2 Te -","- C4 H16 Cl6 N2 Te -","- C8 H32 Cl12 N4 Te2 -","2","0.25","BK1402","Ishida, Hiroyuki; Kashino, Setsuo","Bis(dimethylammonium) Hexachlorotellurate(IV)","Acta Crystallographica Section C","1998","54","12","1811","1813","10.1107/S0108270198009226","","","0.71073","MoKα","","0.075","0.033","","0.034","","0.032","","","2.195","","","2.65","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2007882","7.831","0.001","9.9159","0.0008","10.2115","0.0005","113.128","0.007","91.309","0.007","103.504","0.006","703.21","0.12","296","","296","","","","","","","","","3","P -1","-P 1","2","1-(o-tolylmethyl)naphthalene-2-carboxylic acid","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","BK1403","Gerkin, Roger E.","1-(<i>o</i>-Tolylmethyl)naphthalene-2-carboxylic Acid","Acta Crystallographica Section C","1998","54","12","1885","1887","10.1107/S0108270198009214","","","0.71073","MoKα","","","0.043","","","","0.056","","","","","","2.53","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007883","14.171","0.002","4.338","0.002","16.217","0.002","90","","99.64","0.01","90","","982.8","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","fluorene-2-carboxaldehyde","","","- C14 H10 O -","- C14 H10 O -","- C56 H40 O4 -","4","1","BK1406","Dobson, Allison J.; Gerkin, Roger E.","9<i>H</i>-Fluorene-2-carboxaldehyde","Acta Crystallographica Section C","1998","54","12","1890","1892","10.1107/S0108270198009056","","","0.71073","MoKα","","","0.042","","","0.065","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007884","7.998","0.005","5.413","0.002","19.435","0.005","90","","100.06","0.04","90","","828.5","0.6","293","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dichlorophthalic anhydride","","- C8 H2 Cl2 O3 -","- C8 H2 Cl2 O3 -","- C32 H8 Cl8 O12 -","4","1","BK1409","Britton, Doyle","3,6-Dichlorophthalic Anhydride","Acta Crystallographica Section C","1998","54","12","1892","1894","10.1107/S0108270198009433","","","0.71073","MoKα","","0.061","0.04","","0.11","0.098","","","","1.025","1.087","1.087","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007885","11.8","0.002","16.538","0.004","12.565","0.003","90","","90","","90","","2452","0.9","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N3 O2.5 -","- C13 H12 N3 O2.5 -","- C104 H96 N24 O20 -","8","1","BM1204","Wang, Zuoxiang; Jian, Fangfang; Duan, Chunying; Bai, Zhiping; You, Xiaozeng","2-(2-Hydroxybenzylidene)-1-(2-picoloyl)hydrazine Hemihydrate","Acta Crystallographica Section C","1998","54","12","1927","1929","10.1107/S0108270198003527","","","0.71073","MoKα","","0.138","0.065","","0.227","0.16","","","","1.083","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007886","8.413","0.001","20.534","0.002","11.36","0.001","90","","90","","90","","1962.5","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","phenylethylthioamidinium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","BM1211","Barker, James; Powell, Harold R.","<i>S</i>-Benzylisothiouronium Chloride","Acta Crystallographica Section C","1998","54","12","2019","2021","10.1107/S0108270198008166","","","1.5418","CuKα","","","0.0419","","","0.0502","","","","","1.0859","1.0859","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007887","9.003","0.002","12.643","0.003","5.937","0.001","98.41","0.02","93.13","0.02","97.95","0.02","660.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Pentasodium bis(dihydroxytetraoxotellurium(VI))gold(III) hexadecahydrate","","- Au H36 Na5 O28 Te2 -","- Au H36 Na5 O28 Te2 -","- Au H36 Na5 O28 Te2 -","1","0.5","BM1229","Levason, William; Webster, Michael","Pentasodium Bis[dihydroxytetraoxotellurium(VI)]gold(III) Hexadecahydrate","Acta Crystallographica Section C","1998","54","12","1729","1731","10.1107/S0108270198007604","","","0.71073","MoKα","","0.032","0.031","","","","0.084","","","","","","1.058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007888","6.2064","0.0015","18.379","0.004","14.943","0.004","90","","96.18","0.02","90","","1694.6","0.7","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimesityl diselenide","","- C18 H22 Se2 -","- C18 H22 Se2 -","- C72 H88 Se8 -","4","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.038","0.0304","","0.0835","0.078","","","","1.042","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007889","15.177","0.003","22.357","0.004","17.653","0.004","90","","90","","90","","5990","2","178","2","178","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","di(2,4,6-triisopropylphenyl)diselenide","","- C30 H46 Se2 -","- C30 H46 Se2 -","- C240 H368 Se16 -","8","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.0844","0.0341","","0.1033","0.0817","","","","0.952","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007890","14.349","0.003","12.298","0.003","15.173","0.003","90","","105.27","0.03","90","","2583","1","220","2","220","2","","","","","","","","4","C 1 2 1","C 2y","5","","Brucinium Fumarate","","- C27 H33 N2 O9.5 -","- C27 H33 N2 O9.5 -","- C108 H132 N8 O38 -","4","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.046","0.038","","","","0.096","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007891","7.941","0.0016","13.838","0.003","11.37","0.002","90","","111.27","0.03","90","","1164.3","0.5","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Brucinium Maleate","","- C27 H30 N2 O8 -","- C27 H30 N2 O8 -","- C54 H60 N4 O16 -","2","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.074","0.069","","","","0.177","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007892","7.469","0.002","8.106","0.002","18.238","0.004","90","","93.78","0.03","90","","1101.8","0.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dimethyl-pyrido[2,1-b]benzimidazole-4-carbonitrile","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","BM1261","Elgemeie, Galal E. H.; Metwally, Nadia H.; Jones, Peter G.","1,2-Dimethylpyrido[1,2-<i>a</i>]benzimidazole-4-carbonitrile","Acta Crystallographica Section C","1998","54","12","1871","1873","10.1107/S0108270198008221","","","0.71073","MoKα","","0.072","0.049","","","","0.132","","","","","","1.043","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007893","12.519","0.002","12.519","0.002","10.257","0.003","90","","90","","120","","1392.2","0.5","173","2","173","2","","","","","","","","6","P 31","P 31","144","","Polymeric (triphenyltrithiophosphite)chlorocopper(I)","","- C18 H15 Cl Cu P S3 -","- C18 H15 Cl Cu P S3 -","- C54 H45 Cl3 Cu3 P3 S9 -","3","1","BM1265","Jones, Peter G.; Fischer, Axel K.; Frolova, Lilya; Schmutzler, Reinhard","Polymeric Chloro(triphenyl trithiophosphite)copper(I)","Acta Crystallographica Section C","1998","54","12","1842","1844","10.1107/S0108270198008671","","","0.71073","MoKα","","0.072","0.041","","","","0.097","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007894","33.756","0.002","7.391","0.0004","17.087","0.001","90","","118.42","0.001","90","","3749.3","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bromo(hydrido)ethylbis(3,4-dimethylpyridine-N)silicon Bromide","","- C16 H24 Br2 N2 Si -","- C16 H24 Br2 N2 Si -","- C128 H192 Br16 N16 Si8 -","8","1","BM1278","Hensen, Karl; Kettner, Markus; Bolte, Michael","Bromo(ethyl)hydridobis(3,4-dimethylpyridine-<i>N</i>)silicon Bromide at 173K","Acta Crystallographica Section C","1998","54","12","1863","1865","10.1107/S0108270198009925","","","0.71073","MoKα","","0.065","0.038","","0.082","0.072","0.082","","","1.052","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007895","8.2441","0.0003","14.5329","0.0005","8.5294","0.0003","90","","100.777","0.003","90","","1003.89","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-hydroxybenzofuran-2-carboxylate","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","BM1279","Gould, Robert O.; Guest, Martyn F.; Joswig, Jan-Ole; Palmer, Michael H.; Parsons, Simon","Ethyl 3-Hydroxybenzo[<i>b</i>]furan-2-carboxylate","Acta Crystallographica Section C","1998","54","12","1951","1954","10.1107/S0108270198010336","","","1.5418","CuKα","","0.0656","0.0461","","0.1281","0.115","","","","1.051","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007896","13.734","0.002","10.543","0.002","9.83","0.002","90","","90","","90","","1423.4","0.4","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Sodium Nickel Polyphosphate","","- Na Ni O9 P3 -","- Na Ni O9 P3 -","- Na8 Ni8 O72 P24 -","8","1","BR1195","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Sodium Nickel Polyphosphate","Acta Crystallographica Section C","1998","54","12","1746","1747","10.1107/S0108270198006258","","","0.71073","MoKα","","","0.03","","","","0.043","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007897","8.234","0.004","12.781","0.007","7.168","0.002","97.76","0.03","98.36","0.02","85.38","0.04","738.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","Octaaquabromouranium(IV) Tribromide Monohydrate","","- Br4 H18 O9 U -","- Br4 H18 O9 U -","- Br8 H36 O18 U2 -","2","1","BR1209","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Octaaquabromouranium(IV) Tribromide Monohydrate, [UBr(H~2~O)~8~]Br~3~.H~2~O","Acta Crystallographica Section C","1998","54","12","1740","1742","10.1107/S0108270198008233","","","0.71073","MoKα","","0.053","0.051","","0.079","","0.078","","","","","","1.07","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2007898","9.901","0.002","13.314","0.003","9.555","0.002","100.34","0.03","117.81","0.03","69.25","0.03","1041.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[tetrakis(imidazole-N^3^)copper(II)]-μ-[dichromato-O:O]]","","- C12 H16 Cr2 Cu N8 O7 -","- C12 H16 Cr2 Cu N8 O7 -","- C24 H32 Cr4 Cu2 N16 O14 -","2","1","CF1190","Pan, Long; Zheng, Nengwu; Zhou, Xiaoyu; Wu, Yonggang; Wu, Qingsheng; Jin, Xianglin","<i>catena</i>-Poly[[tetrakis(imidazole-<i>N</i>^3^)copper(II)]-μ-(dichromato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","1998","54","12","1802","1804","10.1107/S0108270198006660","","","0.71073","MoKα","","0.06","0.035","","","","0.091","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007899","12.204","0.002","14.957","0.002","6.527","0.001","90","","102.41","0.01","90","","1163.6","0.3","296","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C58 H52 O8 -","2","1","CF1195","Yu , Jianhua; Hu, Yulai; Huang, Qibin; Yu, Kaibei; Yang, Shiyan","7-Methoxy-1-[1-(6-methoxy-2-naphthoyl)ethyl]-2-methyl-2,3-dihydro-1<i>H</i>-cyclopenta[<i>a</i>]naphthalen-3-one","Acta Crystallographica Section C","1998","54","12","2009","2011","10.1107/S0108270198009135","","","0.71073","MoKα","","","0.034","","","","0.069","","","","","","0.997","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007900","4.556","0.002","9.689","0.002","10.752","0.002","91.3","0.02","95.16","0.02","100.71","0.02","464.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Monoprotonated-Orthophenylenediamine Dihydrogenphosphate","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C12 H22 N4 O8 P2 -","2","1","CF1225","Trojette, Basma; Hajem, Amen Allah; Driss, Ahmed; Jouini, Tahar","Monoprotonated <i>o</i>-Phenylenediamine Dihydrogenphosphate","Acta Crystallographica Section C","1998","54","12","1867","1869","10.1107/S0108270198009147","","","0.71069","MoKα","","0.0424","0.032","","0.091","0.0831","","","","1.092","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007901","11.1794","0.0009","18.505","0.002","22.409","0.002","90","","90","","90","","4635.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Tetracyclo-Tri-μ-(N-ethylthiourea)-tris(iodocopper(I)) Monohydrate","","- C18 H50 Cu4 I4 N12 O S6 -","- C18 H48 Cu4 I4 N12 O S6 -","- C72 H192 Cu16 I16 N48 O4 S24 -","4","1","CF1242","Chaveng Pakawatchai; Yupa Thanyasirikul; Tapanee Saepae; Suwaluk Pansook; Hoong-Kun Fun; Kandasamy Chinnakali","Hexakis(μ-<i>N</i>-ethylthiourea-<i>S</i>)tetrakis[iodocopper(I)] Monohydrate","Acta Crystallographica Section C","1998","54","12","1750","1752","10.1107/S0108270198010440","","","0.71073","MoKα","","0.0942","0.0408","","0.0924","0.0783","","","","0.794","0.971","0.971","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007902","13.135","0.003","10.309","0.002","19.363","0.004","90","","99.99","0.03","90","","2582.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 I N8 V -","- C32 H16 I N8 V -","- C128 H64 I4 N32 V4 -","4","1","CF1259","Krzysztof Ejsmont; Ryszard Kubiak","Iodo(phthalocyaninato)vanadium(III)","Acta Crystallographica Section C","1998","54","12","1844","1846","10.1107/S0108270198008105","","","0.71073","MoKα","","0.096","0.047","","","","0.13","","","","","","1.039","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007903","12.556","0.002","7.618","0.001","15.26","0.002","90","","109.76","0.01","90","","1373.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Nitro-4'-(N,N-dimethylamino)azobenzene","(4-dimethylaminophenyl)(2-nitrophenyl)diazene","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","CF1260","Zhang, De-Chun; Ge, Li-Qin; Fei, Zheng-Hao; Zhang, Yan-Qiu; Yu, Kai-Bei","4'-(Dimethylamino)-2-nitroazobenzene","Acta Crystallographica Section C","1998","54","12","1909","1911","10.1107/S0108270198007616","","","0.71073","MoKα","","0.104","0.037","","0.13","0.076","","","","0.748","1.061","1.061","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007904","7.733","0.002","10.648","0.002","10.894","0.002","90","","90.09","0.03","90","","897","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O4 -","- C6 H11 N3 O4 -","- C24 H44 N12 O16 -","4","1","CF1261","Bujak, Maciej; Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","1,4-Dihydro-1-methyl-4-nitriminopyridine Dihydrate","Acta Crystallographica Section C","1998","54","12","1945","1948","10.1107/S0108270198008348","","","0.71073","MoKα","","0.0506","0.0377","","","","0.115","","","","","","1.096","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007905","28.851","0.005","11.615","0.002","19.992","0.004","90","","127.42","0.01","90","","5320.7","1.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","7,11-(μ-thiobenzoate-S:O)-7,10-di(triphenylphosphine-P)-8,9-di-μH- 7-platina-nido-undecaborane-chloroform (1/1.5)","","- C44.5 H45.5 B10 Cl4.5 O P2 Pt S -","- C44.5 H44.5 B10 Cl4.5 O P2 Pt S -","- C178 H178 B40 Cl18 O4 P8 Pt4 S4 -","4","1","CF1268","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Jie Sun; Pei-Ju Zheng","An Exopolyhedral Cyclized Platinaundecaborane: [(PPh~3~)(PhCOS)PtB~10~H~9~(PPh~3~)].1.5CHCl~3~","Acta Crystallographica Section C","1998","54","12","1835","1837","10.1107/S0108270198010452","","","0.71069","MoKα","","","0.0369","","","","0.1041","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007906","5.872","0.002","10.529","0.002","19.096","0.005","105.01","0.02","93.85","0.02","105","0.02","1090","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Methyl 6-Chloro-9-purine-9-acetate","ethyl 6-chloropurine-9-acetate","","- C9 H9 Cl N4 O2 -","- C9 H9 Cl N4 O2 -","- C36 H36 Cl4 N16 O8 -","4","2","CF1279","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","9-(Carboxymethyl)-6-chloropurine Ethyl Ester","Acta Crystallographica Section C","1998","54","12","1907","1909","10.1107/S0108270198012360","","","1.54178","CuKα","","0.087","0.078","","0.234","0.226","","","","1.099","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007907","7.185","0.001","15.46","0.001","10.254","0.001","90","","97.41","0.007","90","","1129.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","","- C24 H31 Br O4 -","- C24 H31 Br O4 -","- C48 H62 Br2 O8 -","2","1","DA1005","Soriano-García, Manuel; Hernández-Ortega, Simón; Bratoeff, Eugene; Flores, Gregoria; Ramírez, Elena","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","Acta Crystallographica Section C","1998","54","12","2022","2024","10.1107/S010827019800211X","","","0.71073","MoKα","","0.111","0.048","","0.11","","0.095","","","1.001","","","1.001","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007908","8.777","0.002","12.557","0.002","27.324","0.005","90","","90","","90","","3011.5","1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-4-hydroxy-6-6-dimethyl-1,5,7-tri(3-methyl-2-butenyl)bicyclo[3.3.1] non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","DA1009","Santos, Marcelo H.; Speziali, Nivaldo L.; Nagem, Tanus J.; Oliveira, Tânia T.","Epiclusianone: a New Natural Product Derivative of Bicyclo[3.3.1]nonane-2,4,9-trione","Acta Crystallographica Section C","1998","54","12","1990","1992","10.1107/S0108270198006477","","","0.71073","MoKα","","","0.0648","","","0.0585","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007909","9.4915","0.001","10.3342","0.0008","9.193","0.0009","89.607","0.007","90.489","0.008","93.555","0.008","899.93","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(dihydroxophosphato) [(1SR,4SR,8RS,11RS)-1,4,8,11-tetraazacyclotetradecane-κ^4^N]nickel(II)","","- C10 H28 N4 Ni O8 P2 -","- C10 H28 N4 Ni O8 P2 -","- C20 H56 N8 Ni2 O16 P4 -","2","1","DA1017","Namouchi Cherni, Saoussen; Driss, Ahmed; El Maaoui, Mohamed; Jouini, Tahar","Bis(dihydrogen phosphato-<i>O</i>)[(1<i>SR</i>,4<i>SR</i>,8<i>RS</i>,11<i>RS</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section C","1998","54","12","1768","1770","10.1107/S0108270198008245","","","0.71069","MoKα","","0.0269","0.0218","","0.057","0.0542","","","","1.066","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007910","10.571","0.003","6.3565","0.0015","24.36","0.01","90","","100.37","0.04","90","","1610.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-aza-1-tertbuthyl-4-methyl-9-methoxy-1,2,3,4-tetrahydro-fluoren-2-one.","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","DA1018","García-Granda, Santiago; Santiago-García, Rafael; Sanni, S. Bamidele; Suárez-Sobrino, Angel; Santamaría, Javier","1-<i>tert</i>-Butyl-9-methoxy-4-methyl-1,2,3,4-tetrahydro-2-azafluoren-3-one, a Novel Fluorenone","Acta Crystallographica Section C","1998","54","12","1961","1963","10.1107/S0108270198008257","","","0.71073","MoKα","","0.172","0.048","","","","0.145","","","","","","0.979","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007911","16.476","0.001","16.476","0.001","16.476","0.001","90","","90","","90","","4472.6","0.5","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","tris(methylacetylacetonato)cobalt(III)","Tris(O,O'-4-methyl-2,4-pentanedionato)cobalt(III)","","- C18 H29.3 Co O7.65 -","- C18 H27 Co O7.657 -","- C144 H216 Co8 O61.256 -","8","0.333333","DA1026","Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.","Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section C","1998","54","12","1807","1809","10.1107/S0108270198008592","","","1.5418","CuKα","","0.069","0.051","","0.158","0.143","","","","1.138","1.212","1.212","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007912","8.0403","0.0006","15.1514","0.0011","16.4575","0.001","108.076","0.006","90.971","0.006","96.484","0.007","1890.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(methylacetylacetonate)cobalt(III)","tris(3-methyl-2,4-pentandionato)cobalt(III)","","- C18 H27 Co O6 -","- C18 H27 Co O6 -","- C72 H108 Co4 O24 -","4","2","DA1026","Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.","Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section C","1998","54","12","1807","1809","10.1107/S0108270198008592","","","1.5418","CuKα","","0.17","0.083","","0.239","0.185","","","","1.035","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007913","6.6583","0.0005","9.4161","0.0007","9.5481","0.0007","96.087","0.002","103.348","0.002","90.026","0.001","578.97","0.07","190","","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H19 Cl2 Cu N3 -","- C7 H19 Cl2 Cu N3 -","- C14 H38 Cl4 Cu2 N6 -","2","1","DA1028","McCasland, Anne K.; Alcock, Nathaniel W.; Busch, Daryle H.","[<i>N</i>-(3-Aminopropyl)-<i>N</i>-methyl-1,3-propanediamine-κ^3^<i>N</i>]dichlorocopper(II)","Acta Crystallographica Section C","1998","54","12","1837","1839","10.1107/S0108270198009731","","","0.71073","MoKα","","0.0599","0.0448","","0.0967","0.094","","","","0.888","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007914","7.123","0.001","10.149","0.001","10.223","0.002","103.33","0.01","109.79","0.02","92.43","0.02","670.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Piromidic acid","8-Ethyl-5,8-dihydro-5-oxo-2-(-1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6- carboxylic acid","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C28 H32 N8 O6 -","2","1","DE1074","H. Song.; H. S. Shin; K. I. Park.; S. I. Cho","The Antifungal Agent 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic Acid (Piromidic Acid)","Acta Crystallographica Section C","1998","54","12","1915","1917","10.1107/S0108270198007628","","","0.71069","MoKα","","0.109","0.048","","0.144","0.109","","","","1.056","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007915","16.734","0.005","7.83","0.004","12.028","0.005","90","","119.12","0.03","90","","1376.8","1.1","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","6-Propylcytidine","1-(β-D-ribofuranosyl)-6-Propylcytosine","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C48 H76 N12 O20 -","4","1","FG1416","Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof","1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine","Acta Crystallographica Section C","1998","54","12","1959","1961","10.1107/S0108270198008683","","","0.71073","MolybdenumKα","","0.034","0.029","","0.037","0.036","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007916","12.0267","0.0002","11.3835","0.0002","14.5357","0.0002","90","","90","","90","","1990.02","0.06","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene","","- C22 H22 O6 S2 -","- C22 H22 O6 S2 -","- C88 H88 O24 S8 -","4","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.041","0.035","","","","0.099","","","","","","1.074","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007917","29.3123","0.0001","29.3123","0.0001","6.8706","0.0001","90","","90","","120","","5112.4","0.08","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene tetrahydrofuran solvate","","- C23.33 H24.67 O6.33 S2 -","- C22 H22 O6 S2 -","- C198 H198 O54 S18 -","9","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.04","0.035","","","","0.096","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007918","9.481","0.0009","19.836","0.0019","13.178","0.0014","90","","90","","90","","2478.3","0.4","296","","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-bis(2-pyridylformimidoyl)hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","FG1463","Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R.","1,2-Bis(2-pyridylformimidoyl)hydrazine","Acta Crystallographica Section C","1998","54","12","1923","1925","10.1107/S0108270198008014","","","0.71073","MoKα","","0.068","0.036","","","","0.135","","","","","","0.951","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007919","7.436","0.002","8.438","0.002","19.607","0.003","90","","90","","90","","1230.2","0.5","287","2","287","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methyl-4-methylamino- (1H)-pyrimidin-2-one","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","FG1466","Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson","<i>N</i>^4^,5-Dimethyl-2'-deoxycytidine","Acta Crystallographica Section C","1998","54","12","1987","1990","10.1107/S0108270198008026","","","0.7093","MolybdenumKα","","0.0565","0.0364","","","","0.1064","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007920","7.5811","0.0006","11.6974","0.0008","8.78","0.0006","90","","97.129","0.007","90","","772.58","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,4-Dioxane dichloro-germanium","","- C4 H8 Cl2 Ge O2 -","- C4 H8 Cl2 Ge O2 -","- C16 H32 Cl8 Ge4 O8 -","4","0.5","FG1469","Denk, Michael K.; Khan, Maryam; Lough, Alan J.; Shuchi, Kumra","Redetermination of the Germanium Dichloride Complex with 1,4-Dioxane at 173K","Acta Crystallographica Section C","1998","54","12","1830","1832","10.1107/S0108270198009548","","","0.71073","MoKα","","0.0238","0.0216","","0.0533","0.0527","","","","1.075","1.1","1.1","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007921","10.258","0.002","6.9198","0.0009","17.66","0.004","90","","90.65","0.02","90","","1253.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-[bis(3-hydroxypropionato)diaquoyttrium(III)] Bromide","","- C6 H14 Br O8 Y -","- C6 H14 Br O8 Y -","- C24 H56 Br4 O32 Y4 -","4","1","FG1475","Mague, Joel T.; Apblett, Allen W.; Todorova, Galina","Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride","Acta Crystallographica Section C","1998","54","12","1784","1787","10.1107/S010827019800955X","","","0.71073","MoKα","","0.0821","0.0499","","0.1513","","0.1356","","","1.052","","","1.086","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007922","7.564","0.002","11.619","0.002","14.361","0.003","90","","90","","90","","1262.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-[(3-hydroxypropionato)pentaaquoyttrium(III)] Bromide Chloride","","- C3 H15 Br Cl O8 Y -","- C3 H13 Br Cl O8 Y -","- C12 H52 Br4 Cl4 O32 Y4 -","4","1","FG1475","Mague, Joel T.; Apblett, Allen W.; Todorova, Galina","Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride","Acta Crystallographica Section C","1998","54","12","1784","1787","10.1107/S010827019800955X","","","0.71073","MoKα","","0.0496","0.0313","","0.096","","0.0896","","","1.089","","","1.118","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007923","7.3756","0.0001","21.9934","0.0002","9.6991","0.0001","90","","108.843","0.001","90","","1489.02","0.03","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cr N O3 -","- C16 H17 Cr N O3 -","- C64 H68 Cr4 N4 O12 -","4","1","FG1479","Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue","<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)","Acta Crystallographica Section C","1998","54","12","1825","1827","10.1107/S0108270198009561","","","0.71073","MoKα","","0.04","0.032","","0.082","0.078","","","","1.081","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007924","9.5188","0.0001","10.3406","0.0001","14.6223","0.0002","90","","91.379","0.001","90","","1438.86","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cr N O3 -","- C16 H17 Cr N O3 -","- C64 H68 Cr4 N4 O12 -","4","1","FG1479","Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue","<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)","Acta Crystallographica Section C","1998","54","12","1825","1827","10.1107/S0108270198009561","","","0.71073","MoKα","","0.039","0.032","","0.088","0.082","","","","1.03","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007925","13.4327","0.0002","13.1953","0.0006","16.7801","0.0006","90","","90","","90","","2974.25","0.18","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Co N4 O4 -","- C10 H19 Co N4 O4 -","- C80 H152 Co8 N32 O32 -","8","1","FG1480","Mareque Rivas, Juan C.; Brammer, Lee","N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)","Acta Crystallographica Section C","1998","54","12","1799","1802","10.1107/S0108270198008956","","","0.71073","MoKα","","0.072","0.042","","0.055","0.05","","","","1.44","1.576","1.576","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007926","7.9543","0.0005","8.962","0.001","9.4344","0.0009","90.36","0.009","105.946","0.006","95.091","0.007","643.78","0.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Br3 O Te -","- C7 H13 Br3 O Te -","- C14 H26 Br6 O2 Te2 -","2","1","FG1481","Zukerman-Schpector, J.; Stefani, Hélio A.; Silva, Diogo de O.; Braga, Antonio L.; Dornelles, Luciano; Silveira, Claudio da C.; Caracelli, I.","Dibromo[(<i>Z</i>)-2-bromo-2-(hydroxymethyl)vinyl](<i>n</i>-butyl)tellurium(IV)","Acta Crystallographica Section C","1998","54","12","2007","2009","10.1107/S0108270198009573","","","0.71073","MoKα","","0.0637","0.0325","","0.089","","0.0783","","","1.051","","","1.085","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007927","8.7367","0.0005","10.2118","0.0005","8.3386","0.0008","111.508","0.006","95.216","0.006","87.374","0.004","689.22","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(1-phenyl-1,3-butadien-2-yl)benzoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","FG1488","Mague, Joel T.; Hua, Xiao-Gang; Li, Chao-Jun","An Unexpected Product of an Indium-Mediated Carbon‒Carbon Coupling: 2-(1-Phenyl-1,3-butadien-2-yl)benzoic Acid","Acta Crystallographica Section C","1998","54","12","1934","1936","10.1107/S0108270198010117","","","0.71073","MoKα","","0.073","0.038","","0.113","","0.098","","","1.03","","","1.098","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007928","9.1055","0.0008","13.124","0.002","13.796","0.003","90","","92.429","0.011","90","","1647.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 S8 -","- C14 H10 S8 -","- C56 H40 S32 -","4","1","FG1493","Mézière, Cécile; Sallé, Marc; Fourmigué, Marc","2'-(1,3-Dithiolan-2-ylidene)-4'-(1,3-dithiol-2-ylidene)spiro[1,3-dithiole-2,5'-(4'<i>H</i>-5',6'-dihydro-1',3'-dithiapentalene)], the Self-Condensation Product of an Extended Tetrathiafulvalene Derivative","Acta Crystallographica Section C","1998","54","12","2005","2007","10.1107/S0108270198009809","","","0.71073","MoKα","","0.14","0.04","","0.108","","0.086","","","1.013","","","1.116","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007929","7.617","0.003","15.433","0.006","13.652","0.005","90","","90.112","0.01","90","","1604.8","1.1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5'-bis(acetylamino)-2,2'-dihydroxybiphenyl monohydrate","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","0.5","FG1496","Clegg, William; Teat, Simon J.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Shepherd, Evelyn A.; Sherwood, John N.; Vrcelj, Ranko M.; Shepherd, Evelyn A.","An Oxidatively Coupled Dimer of Paracetamol","Acta Crystallographica Section C","1998","54","12","1881","1882","10.1107/S0108270198009445","","","0.6874","synchrotron","","0.078","0.062","","","","0.158","","","","","","0.933","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007930","7.5204","0.001","17.061","0.002","12.2921","0.0017","90","","92.187","0.004","90","","1576","0.4","160","2","160","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.05","0.044","","","","0.111","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007931","11.6469","0.0014","10.9779","0.0014","13.5215","0.0017","90","","112.482","0.003","90","","1597.4","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.07","0.043","","","","0.109","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007932","9.944","0.003","11.116","0.003","14.491","0.004","90","","94.9","0.015","90","","1595.9","0.8","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.067","0.042","","","","0.103","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007933","16.12","0.002","15.959","0.002","14.9294","0.0019","90","","90","","90","","3840.7","0.8","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate","","- C24 H17 B N2 O4 -","- C24 H17 B N2 O4 -","- C192 H136 B8 N16 O32 -","8","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.095","0.055","","","","0.177","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007934","10.3594","0.0011","11.0153","0.0011","12.0742","0.0013","96.361","0.002","107.932","0.002","115.848","0.002","1130.4","0.2","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate dichloromethane solvate","","- C25 H19 B Cl2 N2 O4 -","- C25 H19 B Cl2 N2 O4 -","- C50 H38 B2 Cl4 N4 O8 -","2","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.06","0.043","","","","0.1","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007935","22.417","0.003","8.439","0.0009","17.4208","0.0019","90","","110.477","0.003","90","","3087.4","0.6","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trimethylphosphonium bis(pyrocatecholato-O,O')borate","","- C15 H18 B O4 P -","- C15 H18 B O4 P -","- C120 H144 B8 O32 P8 -","8","2","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.085","0.049","","","","0.115","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007936","7.6299","0.0008","7.5234","0.0009","13.6917","0.0008","90","","93.28","0.007","90","","784.65","0.13","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","quinoline-4-carboxylic acid","","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","FG1498","Dobson, Allison J.; Gerkin, Roger E.","Quinoline-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","12","1883","1885","10.1107/S0108270198009585","","","0.71073","MoKα","","","0.036","","","0.085","","","","","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007937","11.67","0.003","9.78","0.002","17.777","0.005","90","","90.37","0.02","90","","2028.9","0.9","170","1","170","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tripelennamine tetrachlorocobaltate(II)","N-Benzyl-N',N'-dimethyl-N-(2-pyridinio)-1,2-ethanediammonium tetrachlorocobaltate(II)","","- C16 H23 Cl4 Co N3 -","- C16 H23 Cl4 Co N3 -","- C64 H92 Cl16 Co4 N12 -","4","1","FG1505","Parvez, Masood","Tripelennamine Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","12","1748","1750","10.1107/S0108270198009457","","","0.71069","MoKα","","0.177","0.047","","","","0.161","","","","","","0.98","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007938","6.978","0.0001","17.156","0.003","13.996","0.003","90","","90","","90","","1675.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Maleate)(aqua)(4,4'dimethyl-2,2'-bipyridine) copper(II) dihydrate","","- C15 H20 Cu N2 O7 -","- C15 H20 Cu N2 O7 -","- C60 H80 Cu4 N8 O28 -","4","0.5","FR1117","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate","Acta Crystallographica Section C","1998","54","12","1848","1850","10.1107/S0108270198008178","","","0.71073","MoKα","","0.13","0.041","","","0.102","0.115","","","","","","0.956","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007939","12.6472","0.0007","11.3613","0.0006","13.6908","0.0007","90","","110.363","0.001","90","","1844.28","0.17","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce2 H40 N8 O36 S8 -","- Ce2 H40 N8 O36 S8 -","- Ce4 H80 N16 O72 S16 -","2","0.5","FR1130","Yongkui Shan; Songping D. Huang","(NH~4~)~8~[Ce~2~(SO~4~)~8~] .4H~2~O","Acta Crystallographica Section C","1998","54","12","1744","1745","10.1107/S0108270198007057","","","0.7107","MoKα","","0.027","0.022","","0.035","","0.034","","","0.942","","","0.973","","","","has coordinates","187340","2020-10-21","18:00:00",""
"2007940","10.2266","0.0009","10.7507","0.0011","11.0355","0.0008","64.4","0.007","70.297","0.007","78.614","0.008","1028.2","0.17","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Cd Cu2 N4 O10 -","- C42 H46 Cd Cu2 N4 O10 -","- C42 H46 Cd Cu2 N4 O10 -","1","0.5","FR1131","Ercan, Filiz; Ülkü, Dinçer; Atakol, Orhan; Dinçer, F. Nazlι","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}cadmium(II) Dioxane Solvate","Acta Crystallographica Section C","1998","54","12","1787","1790","10.1107/S010827019800835X","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007941","9.069","0.002","17.009","0.003","15.104","0.002","90","","99.47","0.02","90","","2298.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-diethoxy-1-(1,10-phenanthroline-N,N')-1-ruthena-closo-undecaborane","","- C16 H26 B10 N2 O2 Ru -","- C16 H26 B10 N2 O2 Ru -","- C64 H104 B40 N8 O8 Ru4 -","4","1","FR1135","Yong Nie; Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jie Sun; Ruo-Shui Jin; Pei-Ju Zheng","A 1,10-Phenanthroline-Ligated <i>closo</i>-Ruthenaundecaborane: [(C~12~H~8~N~2~)RuB~10~H~8~(OC~2~H~5~)~2~]","Acta Crystallographica Section C","1998","54","12","1813","1815","10.1107/S0108270198007938","","","0.71069","MoKα","","","0.029","","","","0.086","","","","","","1.009","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007942","8.4414","0.0005","7.7207","0.0005","19.412","0.0018","90","","90.342","0.006","90","","1265.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 I2 N4 Pt -","- C8 H10 I2 N4 Pt -","- C32 H40 I8 N16 Pt4 -","4","1","FR1137","Casas, Jose S.; Castiñeiras, Alfonso; Parajó, Yolanda; Sordo, José; Varela, José M.","(1,1'-Dimethyl-2,2'-biimidazole-<i>N</i>^3^,<i>N</i>^3'^)diiodoplatinum(II)","Acta Crystallographica Section C","1998","54","12","1777","1779","10.1107/S0108270198009950","","","0.71073","MoKα","","0.06","0.027","","","","0.062","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007943","9.299","0.0014","18.698","0.001","9.0381","0.0016","90","","91.75","0.03","90","","1570.7","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theobromine","3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","FR1140","Ford, Kimberly A.; Ebisuzaki, Yukiko; Boyle, Paul D.","Methylxanthines. II. Anhydrous Theobromine","Acta Crystallographica Section C","1998","54","12","1980","1983","10.1107/S0108270198009469","","","0.71073","MolybdenumKα","","","0.067","","0.074","0.074","","","","","1.58","1.58","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007944","18.955","0.002","12.143","0.001","18.773","0.002","90","","103.739","0.006","90","","4197.4","0.7","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4'-dimethylbiphenyl-2,2'-dicarboxylic acid","","","- C16 H14 O4 -","- C16 H14 O4 -","- C192 H168 O48 -","12","1.5","FR1147","Gerkin, Roger E.","Hydrogen-Bonded Trimers in 4,4'-Dimethylbiphenyl-2,2'-dicarboxylic Acid","Acta Crystallographica Section C","1998","54","12","1887","1889","10.1107/S0108270198009597","","","0.71073","MoKα","","","0.057","","","0.094","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007945","10.041","0.003","12.127","0.003","7.039","0.002","92.08","0.02","90.67","0.03","97.72","0.02","848.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Pentasodium dibismuth arsenate bis(diarsenate)","","- As5 Bi2 Na5 O18 -","- As5 Bi2 Na5 O18 -","- As10 Bi4 Na10 O36 -","2","1","GS1000","Boughzala, Habib; Jouini, Tahar","Na~5~Bi~2~(AsO~4~)(As~2~O~7~)~2~","Acta Crystallographica Section C","1998","54","12","1731","1733","10.1107/S010827019800674X","","","0.71069","MoKα","","0.0491","0.0285","","0.0837","0.0645","","","","1.145","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007946","14.07","0.002","11.328","0.002","26.375","0.003","90","","101.458","0.009","90","","4120","1.1","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","vanadyl mésopentafluorophenylporphyrine","[(5,10,15,20-tetrapentafluorophenylporphyrinato)-oxo-vanadium(IV)] dichloromethane solvate","","- C45 H10 Cl2 F20 N4 O V -","- C45 H10 Cl2 F20 N4 O V -","- C180 H40 Cl8 F80 N16 O4 V4 -","4","1","GS1004","Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond","Vanadyl Tetrakis(pentafluorophenyl)porphyrin Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","12","1781","1784","10.1107/S0108270198008038","","","0.71073","MoKα","","0.084","0.046","","0.105","","0.072","","","2.108","","","1.479","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007947","9.444","0.001","10.676","0.001","11.408","0.001","82.44","0.001","85.41","0.001","67.95","0.001","1056.22","0.18","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 N10 -","- C24 H14 N10 -","- C48 H28 N20 -","2","1","GS1005","Mernari, B.; El Azhar, M.; El Attari, H.; Lagrenée, M.; Pierrot, M.","Complexe de Tétracyanoquinodiméthane et 4-Amino-3,5-bis(2-pyridyle)-1,2,4-triazole (TCNQ:abpt)","Acta Crystallographica Section C","1998","54","12","1983","1986","10.1107/S0108270198008427","","","0.71073","MoKα","","","0.057","","","0.068","","","","","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007948","6.721","0.002","12.278","0.004","11.096","0.002","90","","93.87","0.02","90","","913.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydro Naphto[2,3-b]1,4-Dioxine","","- C12 H10 O2 -","- C12 H9.16 O2 -","- C48 H36.64 O8 -","4","1","GS1007","Namouchi Cherni, Saoussen; Haloui, Asma; Driss, Ahmed; Meganem, Faouzi","2,3-Dihydronaphto[2,3-<i>b</i>][1,4]dioxine","Acta Crystallographica Section C","1998","54","12","1865","1867","10.1107/S0108270198009470","","","0.71069","MoKα","","0.072","0.0399","","0.1275","0.1076","","","","1.052","1.137","1.137","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007949","7.449","0.003","10.724","0.004","17.733","0.01","90","","90","","90","","1416.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,7,7,12-Tetramethyl-2-oxa-tricyclo[6.4.0.0 ^4,9^]dodecane-3(R),12(R)-diol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","GS1013","Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed","(3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène","Acta Crystallographica Section C","1998","54","12","1964","1965","10.1107/S0108270198009317","","","0.7109","MoKα","","0.0533","0.0403","","0.1325","0.1112","","","","1.09","1.086","1.086","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007950","13.3229","0.0008","15.9278","0.0013","32.613","0.002","90","","90","","90","","6920.6","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O4 Si3 -","- C27 H46.5 N5 O4 Si3 -","- C216 H372 N40 O32 Si24 -","8","2","HA1212","Rolf Buff; Helen Stoeckli-Evans; Jürg Hunziker","2'-Deoxy-3',5'-<i>O</i>-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-2'-<i>C</i>-(2-trimethylsilylethynyl)-<small>D</small>-adenosine","Acta Crystallographica Section C","1998","54","12","1860","1862","10.1107/S0108270198008117","","","0.71073","MoKα","","0.0652","0.0363","","","","0.0779","","","","","","0.828","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007951","9.215","0.005","9.607","0.008","10.575","0.005","113.24","0.04","91.76","0.03","90.84","0.05","859.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2,3-butanedione dioximato)(cyclopentyl)cobalt(III)","","- C13 H25 Co N4 O5 -","- C13 H25 Co N4 O5 -","- C26 H50 Co2 N8 O10 -","2","1","HA1217","Chen, Ying; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang","Aquabis(2,3-butanedione dioximato-<i>N</i>,<i>N</i>')(cyclopentyl)cobalt(III)","Acta Crystallographica Section C","1998","54","12","1823","1825","10.1107/S0108270198009068","","","0.71073","MoKα","","0.083","0.068","","0.157","0.15","","","","0.954","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007952","11.532","0.0002","11.2967","0.0002","10.3406","0.0002","90","","96.312","0.001","90","","1338.94","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4,4a,4b,5,6,7,8,8a,9a-Decahydro-8,8a-epoxy-1,4-methano-7-methyl-5- nitro fluoren-9(9H)-one","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","HA1220","fun, Hoong-Kun; Chinnakali, Kandasamy; Hazra, Nirmal Kumar; Mal, Dipakranjan; Nigam, Gur Dayal; Razak, Ibrahim Abdul","1,9a-Epoxy-1,2,3,4,4a,4b,5,8,8a,9a-decahydro-2-methyl-4-nitro-5,8-methano-9<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1998","54","12","1925","1927","10.1107/S0108270198007549","","","0.71073","MoKα","","0.066","0.048","","0.132","0.119","","","","1.054","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007953","18.155","0.005","6.871","0.002","11.077","0.003","90","","110.96","0.02","90","","1290.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Neocuproine dihydrate","2,9-Dimethyl-1,10-phenanthroline dihydrate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","HA1227","Sergio Baggio; Ricardo Baggio; Alvaro W. Mombrú","2,9-Dimethyl-1,10-phenanthroline Dihydrate","Acta Crystallographica Section C","1998","54","12","1900","1902","10.1107/S0108270198009743","","","0.71073","MoKα","","0.069","0.047","","","","0.139","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007954","15.081","0.001","15.081","0.001","16.979","0.002","90","","90","","90","","3861.6","0.6","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Bis[cadmium(en)3]-tetraiodocadmat-diiodid","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","","- C12 H48 Cd3 I6 N12 -","- C12 H48 Cd3 I6 N12 -","- C48 H192 Cd12 I24 N48 -","4","0.25","JZ1291","Wieczorrek, Carsten; Tebbe, Karl-Friedrich","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","Acta Crystallographica Section C","1998","54","12","1804","1807","10.1107/S0108270198007859","","","0.71073","MoKα","","0.029","0.021","","0.033","","0.033","","","0.966","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007955","9.952","0.003","14.687","0.002","11.599","0.005","90","","90","","90","","1695.4","0.9","293","2","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","Cesium-zinc-iodide","Tricesium-zinc-pentaiodide","","- Cs3 I5 Zn -","- Cs3 I5 Zn -","- Cs12 I20 Zn4 -","4","0.5","JZ1293","Friese, K.; Madariaga, G.; Breczewski, T.","Tricaesium Tetraiodozincate(II) Iodide, Cs~3~ZnI~5~","Acta Crystallographica Section C","1998","54","12","1737","1739","10.1107/S0108270198008361","","","0.71073","MoKα","","0.056","0.051","","0.136","0.1312","","","","1.106","1.127","1.127","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007956","13.137","0.005","9.405","0.005","12.416","0.008","90","","96.72","0.04","90","","1523.5","1.4","126","2","126","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetrabutylbacteriochlorin","","- C36 H50 N4 -","- C36 H50 N4 -","- C72 H100 N8 -","2","0.5","JZ1301","Senge, Mathias O.; Runge, Steffen","Structure and Conformation of Photosynthetic Pigments and Related Compounds. XI. 5,10,15,20-Tetrabutylbacteriochlorin","Acta Crystallographica Section C","1998","54","12","1917","1919","10.1107/S0108270198008749","","","0.71073","MoKα","","0.091","0.056","","","","0.141","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007957","11.483","0.002","20.709","0.004","15.652","0.003","90","","118.71","0.01","90","","3264.5","1.1","95","2","95","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bis(trichlorophosphine)iminium Hexachlorophosphate","Trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)hexachlorophosphate","","- Cl12 N P3 -","- Cl12 N P3 -","- Cl96 N8 P24 -","8","2","JZ1304","Belaj, Ferdinand","Bis(trichlorophosphine)iminium Hexachlorophosphate","Acta Crystallographica Section C","1998","54","12","1735","1737","10.1107/S0108270198009706","","","0.71069","MoKα","","0.0539","0.0392","","","","0.0919","","","","","","1.115","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007958","7.1135","0.0007","16.1388","0.0016","10.9876","0.001","90","","99.439","0.011","90","","1244.3","0.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Pyrazine-N:N'-bis[aqua(N-salicylideneglycinato-O,N,O')copper(II)] dihydrate","","- C22 H26 Cu2 N4 O10 -","- C22 H26 Cu2 N4 O10 -","- C44 H52 Cu4 N8 O20 -","2","0.5","JZ1309","Warda, Salam A.","μ-Pyrazine-<i>N</i>:<i>N</i>'-bis[aqua(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)] Dihydrate","Acta Crystallographica Section C","1998","54","12","1756","1758","10.1107/S0108270198008440","","","0.71073","MoKα","","","0.029","","","","0.073","","","","","","0.972","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007959","13.6203","0.0008","10.8747","0.0004","9.9647","0.0003","90","","93.774","0.004","90","","1472.74","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2-methylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)","","- C15 H16 Cu N2 O4 -","- C15 H16 Cu N2 O4 -","- C60 H64 Cu4 N8 O16 -","4","1","JZ1310","Warda, Salam A.","Aqua(2-methylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","12","1754","1755","10.1107/S0108270198009238","","","1.54178","CuKα","","","0.0465","","","","0.1123","","","","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007960","22.112","0.012","11.091","0.008","15.208","0.01","90","","120.88","0.05","90","","3201","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(Di-n-butylstanio)-bis(thio-2-phenylquinazolin)","","- C36 H36 N4 S2 Sn -","- C36 H36 N4 S2 Sn -","- C144 H144 N16 S8 Sn4 -","4","0.5","KA1265","Viktor Vrábel; Drahomír Oktavec; Július Sivý; Ivan Skačani","Di-<i>n</i>-butylbis(2-phenylquinazoline-4-thiolato-<i>N</i>^3^,<i>S</i>)tin(IV)","Acta Crystallographica Section C","1998","54","12","1790","1791","10.1107/S0108270198007574","","","0.71069","MoKα","","0.112","0.043","","0.07","0.063","","","","0.822","1.043","1.043","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007961","8.595","0.002","10.449","0.002","11.243","0.002","68.96","0.03","81.14","0.03","66.9","0.03","866.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetraammonium disodium octacosaoxo(dimolybdo)octavanadate decahydrate","","- H36 Mo2 N4 Na2 O38 V8 -","- Mo2.02 N4 Na2 O38 V7.98 -","- Mo2.02 N4 Na2 O38 V7.98 -","1","0.5","KA1273","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~4~Na~2~[Mo~2~V^IV^~2~V^V^~6~O~28~].10H~2~O","Acta Crystallographica Section C","1998","54","12","1733","1735","10.1107/S0108270198008853","","","0.71073","MoKα","","0.0514","0.0464","","0.1507","0.1473","","","","1.065","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007962","8.291","0.003","11.303","0.006","13.967","0.005","90.12","0.04","98.17","0.03","111.83","0.03","1200.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-N,N')(isothiocyanato-N)copper(II) Tricyanomethanide","","- C25 H16 Cu N8 S -","- C25 H16 Cu N8 S -","- C50 H32 Cu2 N16 S2 -","2","1","KA1277","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isothiocyanato-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1998","54","12","1760","1763","10.1107/S0108270198007963","","","0.71073","MoKα","","0.112","0.033","","0.098","","0.078","","","0.645","","","0.74","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007963","6.416","0.003","10.109","0.004","10.2","0.004","109.8","0.04","103.93","0.04","95.95","0.03","591.6","0.5","150","2","150","2","","","","","","","","5","P 1","P 1","1","","tris[tris{(2-hydroxymethyl)methyl}ammonium] D-3-phosphoglycerate","","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","1","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.0427","0.0313","","0.0887","0.082","","","","1.128","1.117","1.117","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007964","11.501","0.009","9.122","0.007","13.859","0.012","90","","99.22","0.06","90","","1435","2","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(cyclohexylammonium) D-3-phosphoglycerate ethanol","","- C23 H52 N3 O8 P -","- C23 H52 N3 O8 P -","- C46 H104 N6 O16 P2 -","2","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.1003","0.0514","","0.1432","0.1253","","","","1.052","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007965","8.599","0.002","11.992","0.002","14.844","0.004","90","","90","","90","","1530.7","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0427","0.0231","","","","0.062","","","","","","0.973","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007966","8.541","0.002","11.873","0.002","14.83","0.003","90","","90","","90","","1503.9","0.5","85","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0357","0.0278","","","","0.055","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007967","20.118","0.004","8.358","0.002","23.444","0.005","90","","114.02","0.03","90","","3600.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{Methyl[2-cyano-2-(hydroxyimino)]ethanimidate}-bipyridine- nitrosodicyanomethanidecopper(II)","","- C17 H12 Cu N8 O3 -","- C17 H12 Cu N8 O3 -","- C136 H96 Cu8 N64 O24 -","8","1","KA1284","Dunaj-Jurčo, Michal; Mikloš, Dušan; Potočňák, Ivan; Jäger, Lothar","Dicyanonitrosomethanide as a Subject of Nucleophilic Addition of Methanol and as an End-<i>O</i>-Coordinated Ligand in the Same Copper(II) Complex. II. (Bipyridine)(dicyanonitrosomethanido)[methyl(2-cyano-2-hydroxyimino)ethanimidato]copper(II)","Acta Crystallographica Section C","1998","54","12","1763","1765","10.1107/S0108270198007975","","","0.71073","MoKα","","0.178","0.037","","0.081","","0.065","","","0.693","","","0.957","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007968","8.162","0.002","9.919","0.002","22.021","0.004","90","","90","","90","","1782.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrost-4-ene-3,6-dione","17-Ethylenedioxyandrost-4-ene-3,6-dione","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.066","0.0331","","0.0981","0.0829","","","","1.064","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007969","9.854","0.002","10.86","0.002","16.524","0.003","90","","90","","90","","1768.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.1084","0.0375","","0.1158","0.0888","","","","1.035","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007970","7.9475","0.0005","8.3767","0.0007","25.019","0.002","90","","90","","90","","1665.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5β-androstan-3,17-dione","5β-androstan-3,17-dione","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","KA1287","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","5β-Androstan-3,17-dione","Acta Crystallographica Section C","1998","54","12","1898","1900","10.1107/S010827019800804X","","","1.54178","CuKα","","0.04","0.032","","0.093","0.084","","","","1.049","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007971","9.299","0.001","7.279","0.003","12.404","0.001","90","","90.05","0.01","90","","839.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phenyl-5-azauracil","6-phenyl-1,3,5-triazin-2,4[1H,3H]-dione","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C36 H28 N12 O8 -","4","1","KA1294","Lowe, Philip R.; Schwalbe, Carl H.","Classical Packing and Stacking in 6-Phenyl-5-azauracil","Acta Crystallographica Section C","1998","54","12","1936","1938","10.1107/S010827019800969X","","","0.71073","MoKα","","0.049","0.034","","0.096","0.093","","","","1.042","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007972","9.727","0.002","10.335","0.002","24.177","0.005","90","","90","","90","","2430.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17β-picolyl-5-androsten-16-one.","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C108 H140 N4 O12 -","4","1","LN1052","Lazar, Dušan; Stanković, Slobodanka; Sakač, Marija; Penov-Gašić, Katarina; Kovačević, Radmila; Medić-Mijačević, Ljubica; Pilati, Tullio","Structure‒Activity Relationships in 16- and 17-Substituted 5-Androstenes: 3β-Acetoxy-17β-picolyl-5-androsten-16-one","Acta Crystallographica Section C","1998","54","12","1965","1968","10.1107/S0108270198009342","","","0.71073","MoKα","","0.13","0.057","","0.19","0.133","","","","0.893","0.926","0.926","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007973","9.5664","0.0012","7.0768","0.0009","14.2175","0.001","90","","108.137","0.007","90","","914.69","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","t-butyl 3-[4-(2-bromoethoxy)-3-chlorophenyl]-5-methylisoxasole-4- carboxylate","","- C17 H19 Br Cl N O4 -","- C17 H19 Br Cl N O4 -","- C34 H38 Br2 Cl2 N2 O8 -","2","1","LN1061","Dupont, Léon; Kohl, Michel; Lejeune, Robert","<i>tert</i>-Butyl 3-[4-(2-Bromoethoxy)-3-chlorophenyl]-5-methylisoxazole-4-carboxylate","Acta Crystallographica Section C","1998","54","12","1957","1959","10.1107/S0108270198009482","","","1.5418","CuKα","","0.0391","0.0317","","","","0.0895","","","","","","0.942","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007974","15.316","0.005","19.798","0.005","14.484","0.002","90","","90","","90","","4391.9","1.9","292","","292","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Magnesium Sulfate Hexaurea Hemihydrate","","- C6 H25 Mg N12 O10.5 S -","- C6 H25 Mg N12 O10.5 S -","- C48 H200 Mg8 N96 O84 S8 -","8","1","NA1345","Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova","Magnesium Sulfate Hexaurea Hemihydrate","Acta Crystallographica Section C","1998","54","12","1758","1760","10.1107/S0108270198007070","","","0.71073","MoKα","","","0.05","","","","0.063","","","","","","1.057","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2007975","11.095","0.004","8.28","0.006","16.445","0.004","90","","94.02","0.02","90","","1507","1.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mercuric chloride-2,2^'^:6^'^2^''^-terpyridine","","- C15 H11 Cl2 Hg N3 -","- C15 H11 Cl2 Hg N3 -","- C60 H44 Cl8 Hg4 N12 -","4","1","NA1361","Matković-Čalogović, Dubravka; Davidović, Naka; Popović, Zora; Žugaj, Željka","Dichloro(2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>',<i>N</i>'')mercury(II)","Acta Crystallographica Section C","1998","54","12","1766","1768","10.1107/S0108270198009494","","","0.71073","MoKα","","0.091","0.0408","","","","0.1048","","","","","","0.992","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007976","18.4255","0.0016","7.2396","0.0006","7.6466","0.0005","90","","101.126","0.006","90","","1000.83","0.14","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tetracyano-p-xylene","","- C12 H6 N4 -","- C12 H6 N4 -","- C48 H24 N16 -","4","0.5","NA1363","Arena, Antonella; Bruno, Giuseppe; Panzalorto, Manuela; Patané, Salvatore; Saitta, Gaetano; Scopelliti, Rosario","Tetracyano-<i>p</i>-xylene","Acta Crystallographica Section C","1998","54","12","2003","2005","10.1107/S0108270198009500","","","0.71073","MoKα","","0.0489","0.0371","","0.1069","0.1032","","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007977","13.38","0.002","15.14","0.003","13.634","0.001","90","","109.46","0.01","90","","2604.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dichloro bis(3,5-diphenylpyrazole)copper(II)","","- C30 H24 Cl2 Cu N4 -","- C30 H24 Cl2 Cu N4 -","- C120 H96 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.065","0.044","","","","0.119","","","","","","0.896","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007978","8.041","0.002","15.768","0.003","14.549","0.002","90","","91.73","0.02","90","","1843.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","dichlorobis(5-phenylpyrazole)copper(II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.086","0.045","","","","0.11","","","","","","0.824","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007979","14.795","0.001","14.795","0.001","16.634","0.002","90","","90","","90","","3641","0.6","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dichloro bis (1-phenylpyrazole) copper (II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C144 H128 Cl16 Cu8 N32 -","8","0.5","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.034","0.027","","","","0.063","","","","","","0.923","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007980","9.7898","0.0009","7.3974","0.0006","17.292","0.002","90","","99.368","0.006","90","","1235.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(1-naphthylmethyl)-1,7-dioxa-4,10-diazacyclododecano","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","0.5","NA1370","Alessandra Forni","Two Macrocyclic Azacrown Ethers","Acta Crystallographica Section C","1998","54","12","1921","1923","10.1107/S0108270198007550","","","0.71073","MoKα","","0.0652","0.0323","","0.0789","0.0707","","","","0.855","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007981","11.369","0.003","12.175","0.003","12.268","0.003","64.42","0.02","72.89","0.02","73.37","0.02","1438.7","0.7","245","2","245","2","","","","","","","","5","P -1","-P 1","2","","4,10,16,22-tetra(1-naphthylmethyl)-1,7,13,19-tetraoxa-4,10,16,22- tetraazacyclotetracosano","","- C62 H72 Cl4 N4 O4 -","- C62 H72 Cl4 N4 O4 -","- C62 H72 Cl4 N4 O4 -","1","0.5","NA1370","Alessandra Forni","Two Macrocyclic Azacrown Ethers","Acta Crystallographica Section C","1998","54","12","1921","1923","10.1107/S0108270198007550","","","0.71073","MoKα","","0.0571","0.0355","","0.0952","0.084","","","","0.948","1.073","1.073","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007982","8.103","0.004","5.686","0.003","14.27","0.008","90","","95.94","0.04","90","","653.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-2,2'-dichloro-4,4'-dimethylazobenzene","","- C14 H12 Cl2 N2 -","- C14 H12 Cl2 N2 -","- C28 H24 Cl4 N4 -","2","0.5","NA1372","Crispini, Alessandra; Ghedini, Mauro; Pucci, Daniela","<i>trans</i>-2,2'-Dichloro-4,4'-dimethylazobenzene","Acta Crystallographica Section C","1998","54","12","1869","1871","10.1107/S0108270198008798","","","0.71073","MoKα","","0.0491","0.0417","","0.1174","0.1119","","","","1.062","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007983","6.8417","0.0004","10.2086","0.0005","14.6099","0.0008","90","","101.574","0.005","90","","999.67","0.1","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+) (2R)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-pyrrolidinylium)methyl]piperidine chloride monohydrate","","- C18 H27 Cl3 N2 O2 -","- C18 H27 Cl3 N2 O2 -","- C36 H54 Cl6 N4 O4 -","2","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.038","0.036","","0.103","","0.103","","","1.041","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007984","7.0585","0.0006","7.0673","0.0004","40.53","0.002","90","","90","","90","","2021.8","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-) (2S)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-piperidinylium)methyl]piperidine chloride","","- C19 H27 Cl3 N2 O -","- C19 H27 Cl3 N2 O -","- C76 H108 Cl12 N8 O4 -","4","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.034","0.032","","0.097","","0.097","","","1.059","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007985","13.971","0.002","14.308","0.003","18.205","0.004","93.241","0.014","98.32","0.015","92.942","0.012","3588.5","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) perchlorate","","- C20 H12 Br4 Cl Cu N4 O4 -","- C20 H12 Br4 Cl Cu N4 O4 -","- C120 H72 Br24 Cl6 Cu6 N24 O24 -","6","3","NA1374","Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.","[Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine","Acta Crystallographica Section C","1998","54","12","1820","1823","10.1107/S0108270198009159","","","0.71073","MoKα","","0.143","0.05","","0.092","0.07","","","","0.89","1.021","1.021","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007986","12.726","0.002","22.233","0.003","8.6069","0.0008","90","","97.437","0.012","90","","2414.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate","","- C20 H12 Ag B Br4 F4 N4 -","- C20 H12 Ag B Br4 F4 N4 -","- C80 H48 Ag4 B4 Br16 F16 N16 -","4","1","NA1374","Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.","[Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine","Acta Crystallographica Section C","1998","54","12","1820","1823","10.1107/S0108270198009159","","","0.71073","MoKα","","0.048","0.031","","0.066","0.062","","","","0.93","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007987","7.446","0.002","12.179","0.003","12.279","0.003","90","","102.6","0.05","90","","1086.7","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Diiodo(N-methylpiperazine-N,N')Platinum(II)","","- C5 H12 I2 N2 Pt -","- C5 H12 I2 N2 Pt -","- C20 H48 I8 N8 Pt4 -","4","1","NA1376","Ciccarese, Antonella; Clemente, Dore Augusto; Fanizzi, Francesco P.; Marzotto, Armando; Valle, Giovanni","Platinum(II) Complexes of Piperazine (and Derivatives): <i>cis</i>-Diiodo(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1998","54","12","1779","1781","10.1107/S0108270198009755","","","0.7107","MoKα","","0.1155","0.0568","","0.2052","0.1582","","","","1.06","1.052","1.052","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007988","7.204","0.0013","7.6076","0.0011","35.187","0.009","90","","90","","90","","1928.4","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","NA1378","Puliti, Raffaella; De Rosa, Salvatore; Mattia, Carlo Andrea","4'-Methylaminoavarone from <i>Dysidea avara</i>","Acta Crystallographica Section C","1998","54","12","1954","1957","10.1107/S010827019800924X","","","1.54056","CuKα","","0.0509","0.0447","","","0.0443","","","","","0.927","0.927","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007989","9.069","0.005","9.595","0.003","21.624","0.007","90","","90","","90","","1881.7","1.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(1'-hydroxy-4'-isopropyl-2',2'-dimethyl-1',2' -dihydrobenzocyclobuten-1'-yl)-3-mrthyl-2 -butanone ethylene acetal","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","OA1055","Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu","Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3<i>S</i>^*^,1'<i>S</i>^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)","Acta Crystallographica Section C","1998","54","12","1938","1941","10.1107/S0108270198009895","","","0.71073","MoKα","","","0.068","","","","0.071","","","","","","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007990","7.5","0.002","8.505","0.002","11.852","0.005","85.22","0.07","88.89","0.07","77.23","0.03","734.7","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","(3S^*^,1'3S^*^)-3-acetoxy-2-(1'-hydroxy-1',2' -dihydrobenzocyclobuten-1'-yl)-2-methylpentane","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","OA1055","Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu","Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3<i>S</i>^*^,1'<i>S</i>^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)","Acta Crystallographica Section C","1998","54","12","1938","1941","10.1107/S0108270198009895","","","0.71073","MoKα","","","0.06","","","","0.07","","","","","","1.612","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007991","9.2032","0.0008","14.792","0.004","7.483","0.002","101.15","0.02","96.175","0.014","88.701","0.013","993.7","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","C-Trp","Cytosynyl-tryptophan","","- C36 H50 N10 O14 -","- C36 H46 N10 O14 -","- C36 H46 N10 O14 -","1","1","OS1006","Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida","A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-<small>L</small>-tryptophan‒Water (2/6)","Acta Crystallographica Section C","1998","54","12","1941","1943","10.1107/S0108270198008051","","","1.5418","CuKα","","0.07","0.0537","","","","0.1677","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007992","7.15","0.002","10.284","0.002","27.726","0.002","90","","90","","90","","2038.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O5 S -","- C19 H32 O5 S -","- C76 H128 O20 S4 -","4","1","","S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre","1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol","Acta Crystallographica Section C","1998","54","","1986","1987","","","","","","","","0.0392","","","0.108","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007993","16.46","0.003","15.717","0.003","22.023","0.004","90","","92.931","0.005","90","","5689.9","1.8","293","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H43 Cl3 Mn2 N10 O18.5 -","- C52 H43 Cl3 Mn2 N10 O18.5 -","- C208 H172 Cl12 Mn8 N40 O74 -","4","1","OS1015","Wilson, Claire; Larsen, Finn K.; Figgis, Brian N.","Di-μ-oxo-bis[bis(bipyridine-<i>N</i>,<i>N</i>')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate","Acta Crystallographica Section C","1998","54","12","1797","1799","10.1107/S0108270198008701","","","0.71073","MoKα","","0.132","0.074","","0.152","","","","","1.273","1.566","1.566","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007994","6.941","0.001","6.569","0.001","11.315","0.002","90","","90.55","0.02","90","","515.89","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FOX-7","1,1‒diamino‒2,2‒dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","OS1020","Bemm, Ulf; Östmark, Henric","1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions","Acta Crystallographica Section C","1998","54","12","1997","1999","10.1107/S0108270198007987","","","0.71073","MoKα","","0.0347","0.0312","","","","0.0808","","","","","","1.655","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007995","8.935","0.002","15.733","0.007","18.372","0.004","90","","90","","90","","2582.6","1.4","223","1","223","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 N2 O10 Pb -","- C6 H14 N2 O10 Pb -","- C48 H112 N16 O80 Pb8 -","8","1","OS1021","Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar","Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol","Acta Crystallographica Section C","1998","54","12","1794","1797","10.1107/S0108270198008312","","","0.71073","MoKα","","0.075","0.046","","0.111","0.099","","","","1.076","1.132","1.132","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007996","19.856","0.003","21.45","0.004","7.228","0.005","90","","90","","90","","3078","2","294","2","294","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","3RS,4RS-2-Methyl-3,4-diphenylhex-5-en-3-ol","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","OS1022","Rainer Sjöholm; Reijo Sillanpää","(3<i>RS</i>,4<i>RS</i>)-2-Methyl-3,4-diphenyl-5-hexen-3-ol","Acta Crystallographica Section C","1998","54","12","1999","2001","10.1107/S0108270198008609","","","0.71069","MoKα","","0.1127","0.053","","","","0.1481","","","","","","1.022","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007997","23.553","0.0005","5.3933","0.0001","22.9996","0.0003","90","","90","","90","","2921.6","0.09","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","(E)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C136 H144 O32 -","8","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0533","0.0435","","0.1206","0.1096","","","","1.075","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007998","12.4168","0.0007","12.9562","0.0007","12.2833","0.0007","97.641","0.007","113.547","0.007","77.483","0.007","1766.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-Acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","2","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","1.54178","CuKα","","0.0806","0.0472","","0.1534","0.1299","","","","1.033","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007999","12.8655","0.0002","12.0107","0.0002","12.4608","0.0001","90","","117.031","0.001","90","","1715.15","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-Acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0736","0.0443","","0.1175","0.0956","","","","1.124","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008000","21.2854","0.0001","7.8608","0.0001","9.3555","0.0002","90","","100.229","0.001","90","","1540.48","0.04","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(Z)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0276","0.0262","","0.0737","0.0708","","","","1.048","1.025","1.025","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008001","11.695","0.002","11.91","0.003","15.535","0.002","72.61","0.01","79.83","0.01","77.16","0.02","1999.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H20 F15 Ir O P2 -","- C43 H20 F15 Ir O P2 -","- C86 H40 F30 Ir2 O2 P4 -","2","1","OS1027","John Fawcett; Eric G. Hope; Lee A. Peck","<i>trans</i>-Carbonyl(pentafluorophenyl-<i>C</i>)bis[(pentafluorophenyl)diphenylphosphine-<i>P</i>]iridium(I)","Acta Crystallographica Section C","1998","54","12","1752","1753","10.1107/S0108270198008063","","","0.71073","MoKα","","0.043","0.033","","0.084","0.078","","","","0.976","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008002","7.382","0.001","7.791","0.001","11.437","0.001","94.11","0.01","101.7","0.01","93.39","0.01","640.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4benzyl-pyridin-4-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.11","0.076","","0.228","0.196","","","","1.055","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008003","7.2766","0.0007","7.3473","0.0006","13.294","0.001","91.395","0.006","90.823","0.008","117.258","0.009","631.37","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4methylbenzyl-pyridin-4-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C30 H34 N2 O4 -","2","1","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.044","0.039","","0.114","0.109","","","","1.031","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008004","7.266","0.001","12.408","0.002","14.681","0.002","113.05","0.01","100.2","0.01","90.74","0.01","1193.7","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4fluorobenzyl-pyridin-4-one","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C56 H56 F4 N4 O8 -","4","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.053","0.038","","0.099","0.09","","","","1.043","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008005","14.645","0.001","11.634","0.001","17.832","0.003","90","","110.1","0.02","90","","2853.2","0.7","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-Hydroxy-2-ethyl-1-4trifluoromethylbenzyl-pyridin-4-one","","- C15 H15 F3 N O2.5 -","- C15 H15 F3 N O2.5 -","- C120 H120 F24 N8 O20 -","8","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.128","0.067","","0.165","0.133","","","","1.023","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008006","13.903","0.001","13.903","0.001","25.963","0.003","90","","90","","90","","5018.5","0.8","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H30 Hg I4 S2 -","- C12 Hg I4 S2 -","- C96 Hg8 I32 S16 -","8","0.5","OS1033","Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, Per H.","Bis(triethylsulfonium) Tetraiodomercurate(II)","Acta Crystallographica Section C","1998","54","12","1851","1853","10.1107/S0108270198008889","","","0.7107","MoKα","","","0.037","","","0.048","","","","","1.633","1.633","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008007","7.001","0.001","10.356","0.002","8.367","0.002","90","","107.39","0.03","90","","578.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C12 Co2 K6 N12 -","2","0.5","QA0043","Zhou, Ping; Xue, Feng; Au-Yeung, Steve C. F.","Potassium Hexacyanocobaltate, a Redetermination","Acta Crystallographica Section C","1998","54","12","IUC9800062","","10.1107/S0108270198099193","","","0.71073","MoKα","","0.053","0.041","","","","0.1","","","","","","1.081","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008008","5.5806","0.0007","22.641","0.003","7.0249","0.0003","90","0.01","99.79","0.01","90","0.01","874.67","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","QA0059","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium Oxalate Monohydrate","Acta Crystallographica Section C","1998","54","12","IUC9800063","","10.1107/S0108270198099144","","","0.71073","MoKα","","0.058","0.046","","0.187","","0.129","","","1.145","","","1.1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008009","13.541","0.004","13.177","0.004","17.06","0.004","90","","98.49","0.02","90","","3010.7","1.5","210","2","210","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","([9]aneS3)(5-NO2-phen)Pd](PF6)2.MeNO2","[(5-Nitro-1,10-phenanthroline)(1,4,7-trithiacyclononane-S,S',S"")palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate","","- C19 H22 F12 N4 O4 P2 Pd S3 -","- C19 H19 F12 N4 O4 P2 Pd S3 -","- C76 H76 F48 N16 O16 P8 Pd4 S12 -","4","1","QA0064","Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Schröder, Martin","[(5-Nitro-1,10-phenanthroline-<i>N</i>,<i>N</i>')(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate","Acta Crystallographica Section C","1998","54","12","IUC9800071","","10.1107/S0108270198099156","","","0.71073","MoKα","","0.121","0.077","","","","0.19","","","","","","1.212","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2008010","10.081","0.001","8.927","0.001","16.508","0.001","90","","102.29","0.01","90","","1451.6","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[α-(N-succimidyl)benzyl]selenamorpholine","","- C15 H18 N2 O2 Se -","- C15 H18 N2 O2 Se -","- C60 H72 N8 O8 Se4 -","4","1","QA0065","Wu, Jun; Liu, Xiu-Fang; Xu, Han-Sheng; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng","<i>N</i>-[α-(<i>N</i>-Succimidyl)benzyl]selenamorpholine","Acta Crystallographica Section C","1998","54","12","IUC9800066","","10.1107/S0108270198099132","","","1.54184","CuKα","","0.063","0.057","","","","0.171","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008011","6.399","0.001","13.415","0.002","7.288","0.001","90","","110.1","0.01","90","","587.52","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dinitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine","","- C8 H18 N4 O4 -","- C8 H18 N4 O4 -","- C16 H36 N8 O8 -","2","0.5","QA0066","Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin","The First X-ray Study of Alkoxynitrosoamines","Acta Crystallographica Section C","1998","54","12","IUC9800073","","10.1107/S0108270198099120","","","1.54178","CuKα","","0.0431","0.0403","","0.1269","0.111","","","","1.111","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008012","6.424","0.001","13.611","0.002","7.231","0.001","90","","109.74","0.01","90","","595.1","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-formyl-N'-nitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine","","- C9 H19 N3 O4 -","- C9 H19 N3 O4 -","- C18 H38 N6 O8 -","2","0.5","QA0066","Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin","The First X-ray Study of Alkoxynitrosoamines","Acta Crystallographica Section C","1998","54","12","IUC9800073","","10.1107/S0108270198099120","","","1.54178","CuKα","","0.0383","0.036","","0.102","0.1003","","","","1.085","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008013","8.13","0.003","9.425","0.001","9.748","0.007","86.13","0.02","73.38","0.03","66.463","0.019","655.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N,N-diethylphenylsulfonylacetamide","","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C24 H34 N2 O6 S2 -","2","1","QA0069","Céard, Sophie; Gaumet, Vincent; Roche, Danielle; Métin, Jacques; Madesclaire, Michel","<i>N</i>,<i>N</i>-Diethylphenylsulfonylacetamide","Acta Crystallographica Section C","1998","54","12","IUC9800067","","10.1107/S0108270198099119","","","0.71073","MoKα","","0.0609","0.0421","","","","0.1298","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008014","7.5872","0.0001","11.1006","0.0002","19.6648","0.0001","90","","90","","90","","1656.22","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Diphenyl-2,2,3,3-tetrachlorbicyclo[2.2.0]hexane","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","QA0070","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System","Acta Crystallographica Section C","1998","54","12","IUC9800072","","10.1107/S0108270198099107","","","0.71073","MoKα","","0.039","0.036","","","","0.092","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008015","9.848","0.005","17.539","0.009","21.95","0.009","111.06","0.03","92.19","0.04","106.2","0.04","3357","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Ag P Si3 -","- C26 H56 Ag P Si3 -","- C104 H224 Ag4 P4 Si12 -","4","2","QB0054","Stammler, Hans-Georg; Jutzi, Peter; Wieland, Wolfram; Neumann, Beate","(Tributylphosphine-<i>P</i>)[1,2,4-tris(trimethylsilyl)cyclopentadienyl]silver(I)","Acta Crystallographica Section C","1998","54","12","IUC9800064","","10.1107/S0108270198099168","","","0.71073","MoKα","","0.148","0.064","","0.125","0.082","","","","1.211","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008016","12.5629","0.0006","12.5629","0.0006","7.6587","0.0007","90","","90","","90","","1208.75","0.14","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","","- C24 H20 Cl4 O P V -","- C24 H20 Cl4 O P V -","- C48 H40 Cl8 O2 P2 V2 -","2","0.25","QB0064","Wulff-Molder, Dirk; Meisel, Manfred","Tetraphenylphosphonium Tetrachlorooxovanadate(V)","Acta Crystallographica Section C","1998","54","12","IUC9800068","","10.1107/S010827019809917X","","","0.71073","MoKα","","0.066","0.036","","0.097","","0.08","","","1.155","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008017","8.9459","0.0002","5.4133","0.0002","13.2114","0.0003","90","","90","","90","","639.79","0.03","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","α strontium diphosphate","α distrontium diphosphate","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","0.5","QB0066","Jacques Barbier; Jean-Philippe Echard","A New Refinement of α-Sr~2~P~2~O~7~","Acta Crystallographica Section C","1998","54","12","IUC9800070","","10.1107/S0108270198099181","","","0.71073","MoKα","","0.0268","0.0206","","0.0471","0.0458","","","","1.248","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008018","29.432","0.004","7.292","0.001","15.958","0.002","90","","117.12","0.01","90","","3048.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-Methoxyacetophenone-2,4-dinitrophenylhydrazone","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C120 H112 N32 O40 -","8","1","QB0067","Bolte, Michael; Dill, Michele","4'-Methoxyacetophenone 2,4-Dinitrophenylhydrazone at 173K","Acta Crystallographica Section C","1998","54","12","IUC9800065","","10.1107/S0108270198099090","","","0.71073","MoKα","","0.052","0.041","","","","0.119","","","","","","1.029","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008019","8.8787","0.0016","7.9846","0.0016","12.395","0.003","90","","100.243","0.015","90","","864.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","QB0068","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","<i>cis</i>-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic Acid at 293K","Acta Crystallographica Section C","1998","54","12","IUC9800069","","10.1107/S0108270198099089","","","0.71073","MoKα","","0.114","0.0736","","","","0.2064","","","","","","1.074","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008020","7.792","0.001","10.39","0.001","18.894","0.002","90","","90","","90","","1529.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Ba O4 -","- C8 H4 Ba O4 -","- C64 H32 Ba8 O32 -","8","1","SK1168","Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D.","Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity","Acta Crystallographica Section C","1998","54","12","1846","1848","10.1107/S0108270198009512","","","0.71073","MoKα","","0.0388","0.0248","","0.0594","0.0487","","","","1.053","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008021","9.57","0.0003","20.2292","0.0007","22.1484","0.0005","90","","100.122","0.001","90","","4221","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Br Cl2 Mo2 N O6 S2 -","- C34 H44 Br Cl2 Mo2 N O6 S2 -","- C136 H176 Br4 Cl8 Mo8 N4 O24 S8 -","4","1","SK1177","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A Hetero-Tribridged Dinuclear Molybdenum Compound [Bu~4~N][Mo~2~(CO)~6~(<i>p</i>-Cl-C~6~H~4~ S)~2~Br]","Acta Crystallographica Section C","1998","54","12","1815","1816","10.1107/S010827019800763X","","","0.71073","MoKα","","0.1922","0.0657","","0.2497","0.1591","","","","0.886","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008022","32.421","0.003","6.235","0.001","22.646","0.001","90","","91.333","0.007","90","","4576.5","0.9","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1S^*^,3S^*^)-3-methoxy-1-methyl-3-phenyl-3-(1,1,1-trimethylsilyl)-propyl 3,5-dinitrobenzoate.","","- C21 H26 N2 O7 Si -","- C21 H26 N2 O7 Si -","- C168 H208 N16 O56 Si8 -","8","1","SK1185","Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy","A Dinitrobenzoate Derivative of an α-Methoxy-γ-hydroxysilane","Acta Crystallographica Section C","1998","54","12","1944","1945","10.1107/S0108270198004612","","","1.54178","CuKα","","0.0478","0.0402","","","","0.1215","","","","","","1.11","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008023","9.315","0.002","10.849","0.002","9.407","0.002","90","","90","","90","","950.7","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tripotassium-tantalum-tetrasulfide","","","- K3 S4 Ta -","- K3 S4 Ta -","- K12 S16 Ta4 -","4","0.5","SK1197","Herzog, Sabine; Näther, Christian; Bensch, Wolfgang","K~3~Ta S~4~","Acta Crystallographica Section C","1998","54","12","1742","1744","10.1107/S0108270198007641","","","0.71073","MoKα","","0.0332","0.0304","","0.0781","0.076","","","","1.103","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008024","17.066","0.002","16.863","0.002","18.487","0.002","90","","94.65","0.011","90","","5302.8","1.1","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(bpy)3][Ni(dmit)2]2","[Tris-(2,2'-bipyridyl)copper(II)]-bis-[bis(2-thioxo-1,3-dithiole-4,5- dithiolato)nickelate(III)]","","- C42 H24 Cu N6 Ni2 S20 -","- C42 H24 Cu N6 Ni2 S20 -","- C168 H96 Cu4 N24 Ni8 S80 -","4","0.5","SK1205","Faulmann, Christophe; Veldhuizen, Yvonne S. J.; Haasnoot, Jaap G.; Reedijk, Jan; Cassoux, Patrick","A New Ni(dmit)~2~ Salt with a Paramagnetic Cation: [Cu(bpy)~3~][Ni(C~3~S~5~)~2~]~2~","Acta Crystallographica Section C","1998","54","12","1827","1830","10.1107/S0108270198011007","","","0.71073","MoKα","","0.039","0.028","","","","0.07","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008025","8.467","0.0007","9.7895","0.0006","11.0973","0.0006","73.717","0.006","81.592","0.006","87.474","0.009","873.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","SK1209","Francese, Giancarlo; Neels, Antonia; Stoeckli-Evans, Helen; Decurtins, Silvio","Diethyl <i>N</i>,<i>N</i>'-(Naphthalene-1,8-diyl)dioxamate","Acta Crystallographica Section C","1998","54","12","1858","1859","10.1107/S0108270198009652","","","0.71073","MoKα","","0.074","0.05","","","","0.199","","","","","","1.256","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008026","12.8086","0.0009","6.6542","0.0004","14.4143","0.001","90","","97.679","0.009","90","","1217.53","0.14","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose.","","- C26 H28 O4 Sn -","- C26 H28 O4 Sn -","- C52 H56 O8 Sn2 -","2","1","SK1213","Rufino, Helena; Wardell, James L.; Low, John N.; Falconer, Ruth; Ferguson, George","5-Deoxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-triphenylstannyl-α-<small>L</small>-xylofuranose","Acta Crystallographica Section C","1998","54","12","1792","1794","10.1107/S0108270198009524","","","0.71073","MoKα","","0.022","0.017","","","","0.04","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008027","10.1013","0.0009","11.82","0.001","14.1077","0.0011","77.388","0.007","85.339","0.007","74.803","0.006","1585.8","0.2","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","(4-Methoxyphenyl)diphenylmethanol","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","2","SK1217","Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George","(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol","Acta Crystallographica Section C","1998","54","12","1970","1974","10.1107/S0108270198009329","","","0.7107","MolybdenumKα","","0.09","0.037","","","","0.102","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008028","11.9327","0.0008","10.5752","0.0009","14.6833","0.0011","90","","101.857","0.006","90","","1813.4","0.2","294","1","294","1","","","","","","","","3","C 1 c 1","C -2yc","9","","Tris(2-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","SK1217","Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George","(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol","Acta Crystallographica Section C","1998","54","12","1970","1974","10.1107/S0108270198009329","","","0.7107","MolybdenumKα","","0.048","0.031","","","","0.081","","","","","","1.056","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008029","17.104","0.001","6.012","0.001","8.11","0.001","90","","95.46","0.01","90","","830.16","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Methoxynaphthalene","","- C11 H10 O -","- C11 H10 O -","- C44 H40 O4 -","4","1","SK1220","Bolte, Michael; Bauch, Christian","2-Methoxynaphthalene at 173K","Acta Crystallographica Section C","1998","54","12","1862","1863","10.1107/S0108270198009330","","","0.71073","MoKα","","0.046","0.038","","","","0.112","","","","","","1.072","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008030","4.1787","0.0005","13.245","0.002","14.856","0.003","90","","90","","90","","822.2","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-dibromo-6-chloroaniline","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.153","0.063","","","","0.142","","","","","","0.937","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008031","16.7289","0.0015","4.6993","0.0005","25.928","0.003","90","","95.22","0.014","90","","2029.9","0.4","294","1","294","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-acetyl 4-bromo-2,6-dichloroaniline","","- C8 H6 Br Cl2 N O -","- C8 H6 Br Cl2 N O -","- C64 H48 Br8 Cl16 N8 O8 -","8","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.075","0.043","","","","0.112","","","","","","0.968","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008032","4.5575","0.0005","11.4987","0.0012","15.026","0.002","90","","90","","90","","787.44","0.16","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-formyl 4-bromo-2,6-difluoroaniline","","- C7 H4 Br F2 N O -","- C7 H4 Br F2 N O -","- C28 H16 Br4 F8 N4 O4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.089","0.054","","","","0.137","","","","","","0.975","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008033","8.322","0.0007","12.5682","0.0011","18.6853","0.0018","94.663","0.008","96.98","0.007","95.479","0.006","1922.4","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","3-Ferrocenyl-2-phenyl-6-nitroquinoxaline","","- C24 H17 Fe N3 O2 -","- C24 H17 Fe N3 O2 -","- C96 H68 Fe4 N12 O8 -","4","2","SK1223","Ahmed, S. Zaka; Ferguson, George; Glidewell, Christopher","3-Ferrocenyl-6-nitro-2-phenylquinoxaline: Cyclic Centrosymmetric Dimers Depending on both C—H···O Hydrogen Bonds and π-π Stacking Interactions","Acta Crystallographica Section C","1998","54","12","1839","1842","10.1107/S0108270198009664","","","0.7107","MoKα","","0.067","0.041","","","","0.111","","","","","","0.951","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008034","22.322","0.005","11.801","0.003","7.425","0.001","90","","90","","90","","1955.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Tetrahydropalmatine Monohydrate","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","SK1224","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Moi, La Dinh; Khoi, Ta Thi; Phuong, Doan Lan","({-})-Tetrahydropalmatine Monohydrate","Acta Crystallographica Section C","1998","54","12","1977","1980","10.1107/S0108270198009676","","","1.5418","CuKα","","0.064","0.039","","0.117","0.104","","","","1.166","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008035","10.677","0.002","12.374","0.002","8.946","0.002","110.41","0.02","107.9","0.02","99.5","0.02","1003.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","pivaloyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C18 H21 Cl N2 O7 S -","- C18 H21 Cl N2 O7 S -","- C36 H42 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.093","0.058","","0.194","0.162","","","","1.041","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008036","10.494","0.002","12.679","0.002","8.606","0.002","107.08","0.02","107.39","0.02","103.77","0.02","975.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","butyryoxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C17 H19 Cl N2 O7 S -","- C17 H19 Cl N2 O7 S -","- C34 H38 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.062","0.049","","0.157","0.144","","","","1.035","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008037","10.58","0.002","12.471","0.002","8.643","0.003","107.78","0.02","107.76","0.02","102.863","0.014","969.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","isobutyryloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C17 H19 Cl N2 O7 S -","- C17 H19 Cl N2 O7 S -","- C34 H38 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.069","0.058","","0.18","0.169","","","","1.089","1.137","1.137","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008038","7.8978","0.0001","9.1364","0.0002","13.7581","0.0001","90","","90","","90","","992.75","0.03","198","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O6 -","- C7 H14 N2 O6 -","- C28 H56 N8 O24 -","4","1","SX1069","Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo","β-1-<i>N</i>-Ureido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","12","1992","1994","10.1107/S0108270198007665","","","0.71073","MoKα","","0.041","0.038","","0.089","0.086","","","","1.086","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008039","7.486","0.0004","10.889","0.001","15.456","0.001","90","","94.916","0.006","90","","1255.26","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","O-Nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","TA1206","Liu, Shu-Hua; Chen, Xiao-Feng; Xu, Yao-Hua; You, Xiao-Zeng; Chen, Wei; Arifin, Zainudin","<i>o</i>-Nitrobenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1998","54","12","1919","1921","10.1107/S0108270198008774","","","0.71073","MoKα","","0.1","0.055","","0.145","0.127","","","","0.99","1.166","1.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008040","6.996","0.001","8.106","0.001","13.602","0.001","85.68","0.01","88.36","0.01","74.88","0.01","742.51","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-hydroxy-2-methyl-N-(5-methyl-2-thiazole)-2H-1,2-benzothiazine-3 -carboxamide 1,1-dioxide","","- C14 H13 N3 O4 S2 -","- C14 H13 N3 O4 S2 -","- C28 H26 N6 O8 S4 -","2","1","VJ1082","Fabiola, G. Felcy; Pattabhi, Vasantha; Manjunatha, S. G.; Venkateshwar Rao, G.; Nagarajan, K.","4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-Dioxide","Acta Crystallographica Section C","1998","54","12","2001","2003","10.1107/S0108270198008452","","","1.5418","CuKα","","0.042","0.035","","0.1","0.089","","","","1.061","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008041","4.8509","0.0015","14.0214","0.0012","16.671","0.003","90","","97.43","0.02","90","","1124.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","thiabendazole nitrate","[4-(2-benzimidazolyl)thiazole]nitrate","","- C10 H8 N4 O3 S -","- C10 H8 N4 O3 S -","- C40 H32 N16 O12 S4 -","4","1","VJ1084","Murugesan, Somasundaram; Prabakaran, Ponraj; Thomas Muthiah, Packianathan","Thiabendazolium Nitrate, an Anthelmintic Compound","Acta Crystallographica Section C","1998","54","12","1905","1907","10.1107/S0108270198008968","","","0.7107","MoKα","","0.049","0.049","","0.122","","0.122","","","1.15","1.213","1.213","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008042","11.8769","0.0001","11.8769","0.0001","23.0394","0.0004","90","","90","","120","","2814.54","0.06","228","2","228","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- Co H28 I Mo6 Na3 O38 -","- Co1.02 I Mo6 Na3 O38 -","- Co3.06 I3 Mo18 Na9 O114 -","3","0.0833333","BK1375","Rosu, Cristina; Dickman, Michael H.","Cobalt(II) trisodium hexamolybdoperiodate tetradecahydrate","Acta Crystallographica Section C","1999","55","1","11","13","10.1107/S0108270198011391","","","0.71073","MoKα","","0.0357","0.0334","","0.1024","0.0997","","","","1.167","1.181","1.181","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008043","12.852","0.002","12.852","0.002","13.037","0.003","90","","90","","90","","2153.4","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H33 Cl4 Co N4 O3 -","- C12 H30 Cl4 Co N4 O3 -","- C48 H120 Cl16 Co4 N16 O12 -","4","0.5","BK1391","Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki","Oxonium Λ-{<i>N</i>,<i>N</i>'-bis[2(<i>S</i>)-pyrrolidinylmethyl]ethane-1,2-diamine}-<i>cis</i>-α-dichlorocobalt(III) dichloride dihydrate","Acta Crystallographica Section C","1999","55","1","56","58","10.1107/S0108270198009421","","","0.71073","MoKα","","0.046","0.042","","","","0.088","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008044","7.6544","0.0012","15.351","0.003","10.287","0.002","90","","106.544","0.008","90","","1158.7","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Cl2 N8 Sn -","- C26 H14 Cl2 N8 Sn -","- C52 H28 Cl4 N16 Sn2 -","2","0.5","BK1399","Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C.","<i>trans</i>-Dichloro(hemiporphyrazinato)tin(IV)","Acta Crystallographica Section C","1999","55","1","32","33","10.1107/S0108270198011408","","","0.71073","MoKα","","0.079","0.046","","0.12","0.1043","","","","0.999","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008045","10.273","0.002","11.077","0.002","13.803","0.003","69.43","0.01","68.45","0.01","79.33","0.01","1364.9","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","bis(tetraphenylphosphonium) bis(cis-1,2-dicarbomethoxyethylene-1,2-diseleno)- palladate(II)","","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","1","0.5","BK1405","McLauchlan, Craig C.; Ibers, James A.","[PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~]","Acta Crystallographica Section C","1999","55","1","30","32","10.1107/S0108270198010543","","","0.71073","MoKα","","0.0789","0.0414","","","","0.0889","","","","","","0.899","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008046","15.894","0.001","13.693","0.002","8.442","0.001","90","","94.87","0.01","90","","1830.7","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3',5,5'-tetramethyl-6,6'-dimethoxybiphenyl-2,2'-dimethanol","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","BK1410","Dobson, Allison J.; Gerkin, Roger E.","6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol","Acta Crystallographica Section C","1999","55","1","82","84","10.1107/S0108270198009779","","","0.71073","MoKα","","","0.057","","","0.07","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008047","30.559","0.003","6.363","0.003","19.744","0.004","90","","105.82","0.01","90","","3693.7","1.9","296","","296","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.086","","","0.112","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008048","30.439","0.002","6.314","0.003","19.663","0.003","90","","106.06","0.01","90","","3631.6","1.8","223","","223","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.072","","","0.107","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008049","10.1867","0.001","9.759","0.002","17.7778","0.001","90","0.001","94.009","0.01","90","0.02","1763","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-H...π (Indole) Intermolecular Interaction in 3,3'-Di Indolyl-Phenyl Methane","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","BM1241","R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal","N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole","Acta Crystallographica Section C","1999","55","1","75","78","10.1107/S0108270198010695","","","1.54178","CuKα","","0.0671","0.0532","","0.1892","0.1618","","","","1.039","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008050","23.93","0.002","12.5245","0.0011","11.903","0.002","90","","90","","90","","3567.5","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate","","- C30 H30 B2 Cl2 N12 O Sn -","- C30 H30 B2 Cl2 N12 O Sn -","- C120 H120 B8 Cl8 N48 O4 Sn4 -","4","1","BM1258","Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul","An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole","Acta Crystallographica Section C","1999","55","1","20","22","10.1107/S0108270198009780","","","0.71073","MoKα","","0.068","0.039","","0.088","0.081","","","","0.887","1.01","1.01","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2008051","8.951","0.002","12.802","0.002","12.879","0.002","107.62","0.01","104.61","0.01","90.31","0.01","1355.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mo N2 O4 -","- C12 H10 Mo N2 O4 -","- C48 H40 Mo4 N8 O16 -","4","2","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.033","","0.085","0.079","","","","1.071","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008052","11.529","0.002","11.879","0.001","12.661","0.004","90","","96.21","0.01","90","","1723.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo N2 O4 -","- C17 H12 Mo N2 O4 -","- C68 H48 Mo4 N8 O16 -","4","1","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.032","","0.083","0.077","","","","1.096","1.137","1.137","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008053","8.5887","0.001","8.6404","0.0006","9.6169","0.0006","90","","98.398","0.007","90","","706.02","0.11","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","N-((R/S)-2-Hydroxy-2-Phenylacetyl)-L-leucine","(2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","BM1269","Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael","Intramolecular N—H···O, intermolecular O—H···O, C—H···O and C<i>sp</i>^3^—H···π~arene~ interactions in (2<i>S</i>)-2-{[(2<i>R</i>)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","Acta Crystallographica Section C","1999","55","1","126","129","10.1107/S0108270198010063","","","0.7107","MolybdenumKα","","0.057","0.04","","","","0.119","","","","","","1.013","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008054","9.969","0.004","11.671","0.003","12.706","0.002","63.859","0.013","77.63","0.02","65.257","0.015","1204.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Fe N4 O3 -","- C27 H27 Fe N4 O3 -","- C54 H54 Fe2 N8 O6 -","2","1","BM1273","Ling He; Qing-Fang Shi; Shao-Hua Gou; Ming Qian; Chun-Ying Duan","[<i>N</i>-Salicyl-<i>N</i>,<i>N</i>-bis(salicylidenenitriloethyl)amino]iron(III) acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","46","47","10.1107/S0108270198010580","","","0.71073","MoKα","","0.0578","0.0447","","0.1207","0.1116","","","","1.045","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008055","7.212","0.002","5.177","0.001","11.498","0.003","90","0.02","93.11","0.02","90","0.03","428.6","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B8 Ca8 O20 -","4","1","","Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun","Calcium pyroborate, Ca~2~B~2~O~5~","Acta Crystallographica Section C","1999","55","","04","06","","","","","","","","0.0561","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008056","9.256","0.003","9.726","0.003","12.073","0.003","90","","90","","90","","1086.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 K3 N O3 Zn -","- Cl4 K3 N O3 Zn -","- Cl16 K12 N4 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008057","9.268","0.003","10.042","0.003","12.482","0.003","90","","90","","90","","1161.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 H12 N4 O3 Zn -","- Cl4 H12 N4 O3 Zn -","- Cl16 H48 N16 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008058","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, Antonio","Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data","Acta Crystallographica Section C","1999","55","","02","04","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008059","11.129","0.001","8.247","0.001","5.5395","0.0003","90","","100.88","0.01","90","","499.28","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bloedite","","","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","BR1219","Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa","Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral","Acta Crystallographica Section C","1999","55","1","8","11","10.1107/S0108270198011135","","","0.7107","MoKα","","0.0294","0.0289","","0.079","0.078","","","","1.207","1.201","1.201","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008060","9.486","0.001","21.276","0.004","25.266","0.004","90","","94.92","0.01","90","","5080.5","1.4","213","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 O11 P2 Ru3 -","- C50 H38 Cl2 O11 P2 Ru3 -","- C200 H152 Cl8 O44 P8 Ru12 -","4","1","DA1022","Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.","The [Ru~3~(CO)~11~]^2-^ dianion","Acta Crystallographica Section C","1999","55","1","29","30","10.1107/S010827019800883X","","","0.71073","MoKα","","0.055","0.033","","0.139","","0.084","","","","","","1.049","","","","has coordinates,has Fobs","278322","2022-10-03","12:14:44",""
"2008061","7.826","0.002","17.069","0.003","11.578","0.002","90","","93.09","0.03","90","","1544.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","","- C24 H36 N6 O16 Sr -","- C24 H36 N6 O16 Sr -","- C48 H72 N12 O32 Sr2 -","2","0.5","DE1079","Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","Acta Crystallographica Section C","1999","55","1","24","26","10.1107/S0108270198010075","","","0.71073","MoKα","","0.136","0.078","","0.279","0.191","","","","1.077","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008062","8.736","0.002","9.655","0.002","18.773","0.004","99.79","0.03","95.9","0.03","102.93","0.03","1504.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,5,8,11,14-pentaoxapentadecanecalcium(II) (2,4,6-trinitrophenolate)","","- C22 H26 Ca N6 O19 -","- C22 H26 Ca N6 O19 -","- C44 H52 Ca2 N12 O38 -","2","1","DE1081","Poonia, Narinder Singh; Hundal,Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","(2,5,8,11,14-Pentaoxapentadecane-κ^5^<i>O</i>)bis(2,4,6-trinitrophenolato-<i>O</i>^1^,<i>O</i>^2^)calcium(II)","Acta Crystallographica Section C","1999","55","1","26","28","10.1107/S0108270198005721","","","0.71073","MoKα","","0.1","0.061","","0.187","0.152","","","","1.047","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008063","11.834","0.002","12.159","0.004","12.438","0.004","90","","112.77","0.02","90","","1650.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,2'-biphenoxy)(cyclohexylamino)phosphate","2,2'-Biphenyl (Cyclohexylamino)phosphonate","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C72 H80 N4 O12 P4 -","4","1","DE1092","Muthaiah, C.; Kumara Swamy, K. C.","2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer","Acta Crystallographica Section C","1999","55","1","110","112","10.1107/S0108270198010087","","","0.71073","MoKα","","0.064","0.044","","","","0.148","","","","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008064","12.0436","0.0009","9.187","0.0005","18.7995","0.001","90","","93.128","0.008","90","","2077","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","","- C16 H24 Fe I2 Si2 -","- C16 H24 Fe I2 Si2 -","- C64 H96 Fe4 I8 Si8 -","4","1","FG1467","Foucher, Daniel A.; Lough, Alan J.; Park, Peter","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","Acta Crystallographica Section C","1999","55","1","33","35","10.1107/S0108270198009792","","","0.71073","MoKα","","0.056","0.038","","0.098","0.092","","","","0.922","1.021","1.021","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008065","6.29","0.002","7.04","0.003","27.479","0.004","90","","100.83","0.03","90","","1195.1","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Mn O12 S2 -","- C16 H26 Mn O12 S2 -","- C32 H52 Mn2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.083","","","0.091","","","","","","","1.48","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008066","6.298","0.002","6.987","0.003","27.309","0.004","90","","100.86","0.04","90","","1180.2","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Co O12 S2 -","- C16 H26 Co O12 S2 -","- C32 H52 Co2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.068","","","0.088","","","","","","","1.93","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008067","6.292","0.002","6.934","0.005","27.315","0.005","90","","100.68","0.04","90","","1171.1","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Ni O12 S2 -","- C16 H26 Ni O12 S2 -","- C32 H52 Ni2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.081","","","0.104","","","","","","","2.27","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008068","11.9156","0.0012","12.7033","0.0019","11.9651","0.0017","90","","100.415","0.01","90","","1781.3","0.4","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Pseudaconitine","[1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)","","- C36 H51 N O12 -","- C36 H51 N O12 -","- C72 H102 N2 O24 -","2","1","FG1489","Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat","Pseudaconitine","Acta Crystallographica Section C","1999","55","1","72","74","10.1107/S0108270198010129","","","1.54178","CuKα","","0.069","0.057","","","","0.161","","","","","","1.044","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008069","10.8326","0.0007","14.3281","0.0015","10.976","0.003","90","","107.026","0.011","90","","1628.9","0.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gliclazide","N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-p-toluenesulfonamide","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","FG1499","Parvez, Masood; Arayne, M. Saeed; Zaman, M. Kamran; Sultana, Najma","Gliclazide","Acta Crystallographica Section C","1999","55","1","74","75","10.1107/S0108270198009883","","","1.54178","CuKα","","0.066","0.053","","","","0.149","","","","","","1.019","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008070","15.593","0.003","15.596","0.009","20.041","0.006","90","","95.12","0.02","90","","4854","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene","","- C54 H76 O6 -","- C54 H76 O6 -","- C216 H304 O24 -","4","1","FG1502","Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari","25,27-Dihydroxyethoxy-26,28-dipropoxy-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1999","55","1","104","106","10.1107/S0108270198010221","","","0.71073","MoKα","","0.075","0.047","","","","0.14","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008071","32.802","0.003","9.267","0.002","11.756","0.002","90","","108.93","0.01","90","","3380.3","1","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","indaconitine","","","- C35 H48.5 N1.5 O10 -","- C35 H48.5 N1.5 O10 -","- C140 H194 N6 O40 -","4","1","FG1503","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal","Indaconitine 0.5-acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","70","72","10.1107/S0108270198010130","","","1.54178","CuKα","","0.074","0.067","","0.188","0.179","","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008072","7.1459","0.001","7.5905","0.0009","8.8515","0.0008","82.682","0.009","77.437","0.009","68.864","0.01","436.46","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","(1R*,7aS*)-hexahydro-7-carboxymethyl-3H-pyrrolizidin-3-one","1-(5-Oxo-2,3,5,6,7,7a-hexahydro-1H-pyrrolizinyl)acetic acid","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","FG1513","Gerkin, Roger E.","Hydrogen bonding in [(1<i>R</i>*,7a<i>S</i>*)-hexahydro-5-oxo-1<i>H</i>-pyrrolizinyl-1-yl]acetic acid","Acta Crystallographica Section C","1999","55","1","84","87","10.1107/S0108270198010099","","","0.71073","MoKα","","","0.04","","","0.095","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008073","8.4254","0.0004","17.2278","0.0006","10.9291","0.0003","90","","96.164","0.002","90","","1577.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzoyl-1-ethyl-4-phenylpyrimidine-2-one","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","FR1134","Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım","5-Benzoyl-1-ethyl-4-phenyl-1<i>H</i>-pyrimidin-2-one","Acta Crystallographica Section C","1999","55","1","97","99","10.1107/S0108270198009822","","","0.71073","MoKα","","0.1788","0.0677","","0.121","0.0905","","","","1.009","1.204","1.204","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008074","7.864","0.002","6.964","0.002","24.361","0.006","90","","97.74","0.02","90","","1322","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trans-Dicarbonyl(2,3,5,6-tetrafluorophenyl)bromo((5-cyclopentadienyl)rhenium (III)","","- C13 H6 Br F4 O2 Re -","- C13 H6 Br F4 O2 Re -","- C52 H24 Br4 F16 O8 Re4 -","4","1","FR1143","María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers","<i>trans</i>-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III)","Acta Crystallographica Section C","1999","55","1","61","62","10.1107/S0108270198011494","","","0.71073","MoKα","","0.049","0.034","","","","0.088","","","","","","1.011","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008075","21.479","0.004","10.569","0.002","16.807","0.003","90","","90","","90","","3815.4","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Trans-carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)","","- C43 H42 Cl O P2 Rh -","- C43 H42 Cl O P2 Rh -","- C172 H168 Cl4 O4 P8 Rh4 -","4","1","GD1000","Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis(tri-<i>p</i>-tolylphosphine)rhodium(I)","Acta Crystallographica Section C","1999","55","1","67","69","10.1107/S0108270198011603","","","0.71073","MoKα","","0.0416","0.0314","","","","0.0646","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008076","8.2898","0.0002","9.752","0.0001","11.2391","0.0003","112.131","0.001","96.654","0.001","104.437","0.001","792.47","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Triethyl-1,3,5-benzenetriacetonitrile","","- C18 H21 N3 -","- C18 H21 N3 -","- C36 H42 N6 -","2","1","GD1001","Walsdorff, Christian; Park, Ki-Min; Oh, Jinho; Kim, Kimoon","1,3,5-Tris(cyanomethyl)-2,4,6-triethylbenzene","Acta Crystallographica Section C","1999","55","1","108","110","10.1107/S0108270198011615","","","0.71073","MoKα","","0.0589","0.0505","","","","0.1464","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008077","10.2979","0.0008","13.1101","0.0011","16.7038","0.0013","78.0476","0.0006","71.3989","0.0006","79.6493","0.0007","2075.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N2 O4 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","2","GS1017","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla","4-(2,5-Di-<i>tert</i>-butylphenylnitrilomethylidyne)-2-methoxyphenol","Acta Crystallographica Section C","1999","55","1","116","119","10.1107/S0108270198011573","","","0.71069","MoKα","","0.0833","0.0613","","0.162","0.133","","","","0.962","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008078","12.676","0.002","5.341","0.001","19.493","0.002","90","","107.42","0.01","90","","1259.2","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(3-nitrophenyl)-1-triazene","1,3-bis(3-nitrophenyl)-1-triazene","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","HA1224","Zhang, De-Chun; Fei, Zheng-Hao; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Yu, Kai-Bei","1,3-Bis(3-nitrophenyl)triazene","Acta Crystallographica Section C","1999","55","1","102","104","10.1107/S0108270198010415","","","0.71073","MoKα","","0.0658","0.0381","","0.1184","0.0923","","","","0.901","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008079","57.344","0.002","9.7802","0.0004","10.6263","0.0005","90","","90","","90","","5959.6","0.4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.","","- C20 H16 O4 -","- C20 H16 O4 -","- C320 H256 O64 -","16","1","HA1226","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one","Acta Crystallographica Section C","1999","55","1","91","92","10.1107/S0108270198010427","","","0.71073","MoKα","","0.1142","0.0653","","0.1547","0.1317","","","","1.042","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008080","8.0204","0.0003","27.1881","0.0011","8.942","0.0004","90","","106.332","0.001","90","","1871.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate","","- C12 H18 Co N6 O S2 -","- C12 H18 Co N6 O S2 -","- C48 H72 Co4 N24 O4 S8 -","4","1","HA1228","Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)bis(thiocyanato-<i>N</i>)cobalt(II) monohydrate","Acta Crystallographica Section C","1999","55","1","22","24","10.1107/S0108270198010142","","","0.71073","MoKα","","0.064","0.059","","0.135","0.132","","","","1.264","1.304","1.304","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008081","13.0323","0.0003","23.9443","0.0001","3.7927","0.0001","90","","90","","90","","1183.51","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Aminopyrimidine-Terephthalic acid (1:1) complex","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","0.5","HA1229","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Aminopyrimidine‒terephthalic acid (1:1) complex","Acta Crystallographica Section C","1999","55","1","87","89","10.1107/S0108270198010749","","","0.71073","MoKα","","0.0532","0.0384","","0.1055","0.0939","","","","1.073","1.098","1.098","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008082","5.3172","0.0001","15.3099","0.0003","15.3406","0.0001","90","","91.846","0.001","90","","1248.17","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.0667","0.049","","0.1487","0.1355","","","","1.07","1.143","1.143","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008083","11.1356","0.0005","9.5825","0.0005","12.4721","0.0006","90","","98.828","0.002","90","","1315.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol","","- C28 H38 N4 O4 -","- C28 H38 N4 O4 -","- C56 H76 N8 O8 -","2","0.5","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.1268","0.0646","","0.1749","0.1392","","","","1.037","1.135","1.135","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008084","7.797","0.0006","9.4921","0.0007","9.7074","0.0007","89.506","0.002","74.124","0.002","79.242","0.002","678.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Chlorobenzaldehyde Nicotinoylhydrazone Dihydrate","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C26 H28 Cl2 N6 O6 -","2","1","HA1232","Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali","<i>o</i>-Chlorobenzaldehyde nicotinoylhydrazone dihydrate","Acta Crystallographica Section C","1999","55","1","89","91","10.1107/S010827019801138X","","","0.71073","MoKα","","0.0798","0.0535","","","","0.1506","","","","","","1.043","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008085","9.3876","0.0001","12.4039","0.0002","12.755","0.0003","104.807","0.001","99.431","0.001","110.927","0.001","1286.54","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(4-tert-butyl-pyridine-2-carboxamido)-4,5-dichlorobenzene","","- C26 H28 Cl2 N4 O2 -","- C26 H28 Cl2 N4 O2 -","- C52 H56 Cl4 N8 O4 -","2","1","HA1233","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You","<i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)bis(4-<i>tert</i>-butylpyridine-2-carboxamide)","Acta Crystallographica Section C","1999","55","1","99","100","10.1107/S0108270198011445","","","0.71073","MoKα","","0.129","0.075","","","","0.176","","","","","","1.074","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008086","13.3256","0.0005","6.9775","0.0003","13.9402","0.0006","90","","113.881","0.002","90","","1185.19","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4-amino-5-mercapto-1,2,4-triazole derivative of p-nitro phenylaldehyde","","- C10 H9 N5 O2 S -","- C10 H9 N5 O2 S -","- C40 H36 N20 O8 S4 -","4","1","HA1234","Yuan-Fang Liu; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yin-Han Zhang; Fu-Xin Xie; Yu-Peng Tian; Shi-Sheng Ni","4-Amino-3-methyl-1,2,4-triazole-5-thione derivative of <i>p</i>-nitrophenylaldehyde","Acta Crystallographica Section C","1999","55","1","93","94","10.1107/S0108270198010762","","","0.71073","MoKα","","0.1853","0.0773","","0.1687","0.1301","","","","1.036","1.23","1.23","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008087","17.174","0.003","8.9483","0.0016","22.132","0.004","90","","99.313","0.013","90","","3356.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","octacarbonyl-1κ^3^C,2κ^3^C,3κ^2^C-bis(μ~3~-3,3-diphenylallenylidene -1:2κ^2^C^1^:3(1,2-η^2^))-triangulo-triiron(0)(3 Fe‒Fe)","","- C38 H20 Fe3 O8 -","- C38 H20 Fe3 O8 -","- C152 H80 Fe12 O32 -","4","1","JZ1302","Zachara, Janusz; Zimniak, Andrzej","A new polymorph of a carbonyliron complex from tetraphenylhexapentaene: bis(μ~3~,η^2^,σ^2^-diphenylallenylidene)octacarbonyltriiron","Acta Crystallographica Section C","1999","55","1","58","60","10.1107/S010827019801107X","","","0.71073","MoKα","","0.037","0.029","","0.074","0.071","0.074","","","1.033","","","1.033","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008088","10.2987","0.0008","10.1307","0.0006","11.1151","0.0008","90","","115.338","0.007","90","","1048.11","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide","","- C6 H16 I N3 O3 -","- C6 H16 I N3 O3 -","- C24 H64 I4 N12 O12 -","4","1","JZ1311","Guido J. Reiß; Kaspar Hegetschweiler; Jürgen Sander","1,3-Diamino-5-ammonio-1,3,5-trideoxy-<i>cis</i>-inositol iodide","Acta Crystallographica Section C","1999","55","1","123","126","10.1107/S0108270198009974","","","0.71073","MoKα","","0.027","0.025","","","","0.058","","","","","","1.079","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008089","15.0798","0.0016","7.5653","0.0005","12.6522","0.0014","90","","114.212","0.011","90","","1316.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)","","- C9 H17 Cu N3 O6 -","- C9 H17 Cu N3 O6 -","- C36 H68 Cu4 N12 O24 -","4","1","JZ1313","Warda, Salam A.","Polymeric aqua(<i>N</i>-ethylurea-<i>O</i>)(<i>N</i>-pyruvidene-β-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","1","52","54","10.1107/S0108270198010166","","","0.71073","MoKα","","","0.029","","","","0.059","","","","","","0.903","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008090","8.0916","0.0009","8.0916","0.0009","30.078","0.004","90","","90","","90","","1969.3","0.4","293","2","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2-Pyrrolyl)-benzothiazole","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C88 H64 N16 S8 -","8","1","KA1289","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja","2-(2-Pyrrolyl)-1,3-benzothiazole","Acta Crystallographica Section C","1999","55","1","119","120","10.1107/S0108270198011731","","","0.71073","MoKα","","0.2326","0.0552","","","","0.0865","","","","","","0.899","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008091","21.331","0.004","12.203","0.002","20.881","0.004","90","","92.26","0.03","90","","5431.1","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(FN2O4)2","35,44-difluoro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8(3,12)8(20,29)3(1,31)1(1,31)1(14,18)]dopentaconta -14,16,18(44),31,33,1(35)-hexene","","- C42 H62 Cs2 F8 N4 O14 S2 -","- C42 H62 Cs2 F8 N4 O14 S2 -","- C168 H248 Cs8 F32 N16 O56 S8 -","4","0.5","KA1299","Plenio, Herbert; Hermann, Jorg","A cylindrical macrocycle with two caesium cations sandwiched between two diaza-18-crown-6 macrocycles","Acta Crystallographica Section C","1999","55","1","62","64","10.1107/S0108270198011755","","","0.71069","MoKα","","0.0588","0.0365","","","","0.107","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008092","7.3502","0.0013","12.0783","0.0015","12.476","0.007","80.28","0.03","79.53","0.03","72.713","0.013","1032.1","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","Chloro-(N,N'-bis(2-methylpyridyl)-1,5-diazacyclooctane) nickel(II) perchlorate","","- C18 H24 Cl2 N4 Ni O4 -","- C18 H24 Cl2 N4 Ni O4 -","- C36 H48 Cl4 N8 Ni2 O8 -","2","1","LN1060","Bu, Xian-He; Fang, Ya-Yin; Shang, Zhi-Liang; Zhang, Ruo-Hua; Zhu, Hong-Ping; Liu, Qiu-Tian","[1,5-Bis(2-pyridylmethyl-<i>N</i>)-1,5-diazacyclooctane-<i>N</i>,<i>N</i>']chloronickel(II) perchlorate","Acta Crystallographica Section C","1999","55","1","39","41","10.1107/S0108270198010841","","","0.71073","MoKα","","","0.0481","","","0.0609","","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008093","7.532","0.005","13.278","0.002","23.7103","0.001","90","","90","","90","","2371.3","1.6","122","0.5","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-nitrophenyl)-4-phenylbutadiyne","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C128 H72 N8 O16 -","8","1","LN1068","Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis","Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne","Acta Crystallographica Section C","1999","55","1","106","108","10.1107/S0108270198010853","","","1.5418","CuKα","","0.0385","0.0364","","0.0888","0.0885","","","","3.456","3.572","3.572","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008094","8.956","0.002","11.76","0.003","8.781","0.002","103.2","0.03","108.6","0.04","91.4","0.03","848.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Methylpiperazinium Trichloro(N-methylpiperazine-N^1^)cobaltate(II)","","- C10 H25 Cl3 Co N4 -","- C10 H25 Cl3 Co N4 -","- C20 H50 Cl6 Co2 N8 -","2","1","NA1379","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-<i>N</i>^4^)cobaltate(II)","Acta Crystallographica Section C","1999","55","1","43","46","10.1107/S0108270198009603","","","0.7107","MoKα","","0.055","0.033","","0.097","0.086","","","","1.073","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008095","12.406","0.002","14.313","0.002","15.299","0.002","90","","90","","90","","2716.6","0.7","300","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","(R)-1,1'-binaphthyl-2,2'-diol-(R,R)-1,2-cyclohexanediamine-toluene (1/1/1)","","","- C33 H36 N2 O2 -","- C33 H44 N2 O2 -","- C132 H176 N8 O8 -","4","0.5","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.076","","","","0.086","","","","","","1.41","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008096","8.056","0.001","13.552","0.001","10.822","0.001","90","","111.53","0.01","90","","1099.1","0.2","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.056","","","","0.065","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008097","12.146","0.003","12.682","0.006","10.842","0.008","115.26","0.04","93.17","0.04","86.49","0.03","1506.7","1.5","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C27 H37 N3 O4 S3 Zn -","- C27 H37 N3 O4 S3 Zn -","- C54 H74 N6 O8 S6 Zn2 -","2","2","OA1049","Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji","Micacocidin A","Acta Crystallographica Section C","1999","55","1","54","56","10.1107/S0108270198010920","","","0.7107","MoKα","","0.055","0.055","","","","0.065","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008098","15.146","0.006","10.936","0.004","4.328","0.001","90","","97.5","0.02","90","","710.7","0.4","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","1","OA1063","Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida","1-Phenyltetrazole","Acta Crystallographica Section C","1999","55","1","129","131","10.1107/S0108270198009718","","","0.71073","MoKα","","","0.053","","","","0.041","","","","","","1.406","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008099","19.87","0.007","4.731","0.007","14.813","0.007","90","","121.98","0.04","90","","1181","2","296.2","","296.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","β phthalocyanine","","- C32 H18 N8 -","- C32 H18 N8 -","- C64 H36 N16 -","2","0.5","OA1066","Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi","β Metal-free phthalocyanine","Acta Crystallographica Section C","1999","55","1","131","133","10.1107/S0108270198011020","","","0.7107","MoKα","","0.1018","0.0552","","0.0688","0.0592","","","","1.124","1.182","1.182","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008100","4.1662","0.0003","4.1662","0.0003","8.2085","0.0007","90","","90","","90","","142.477","0.019","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Nb3.47 O6 Ti0.53 -","- Ba Nb3.466 O6 Ti0.534 -","- Ba Nb3.466 O6 Ti0.534 -","1","0.0625","OS1024","Svensson, Gunnar; Eriksson, Lars","BaNb~4-<i>x~</i>Ti~<i>x~</i>O~6~ (<i>x</i> = 0.53)","Acta Crystallographica Section C","1999","55","1","17","19","10.1107/S0108270198010932","","","0.71073","MoKα","","0.021","0.016","","0.028","","0.027","","","1.128","","","1.185","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008101","8.2535","0.0001","9.2084","0.0001","5.161","0.0001","90","","90","","90","","392.244","0.01","293","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba Ca Ga4 O8 -","- Ba Ca Ga4 O8 -","- Ba2 Ca2 Ga8 O16 -","2","0.25","OS1030","Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada","A powder diffraction study of BaCaGa~4~O~8~","Acta Crystallographica Section C","1999","55","1","14","17","10.1107/S0108270198010178","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008102","27.447","0.009","20.311","0.006","18.718","0.005","90","","90","","90","","10435","5","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","aquatetrakis[(4-chlorobenzoato)-μ~3~-(2-dimethylaminoethanolato)- copper(II)] hydrate","","- C44 H60 Cl4 Cu4 N4 O14 -","- C44 H60 Cl4 Cu4 N4 O14 -","- C352 H480 Cl32 Cu32 N32 O112 -","8","1","OS1032","Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo","Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate","Acta Crystallographica Section C","1999","55","1","50","52","10.1107/S0108270198011457","","","0.71073","MoKα","","0.114","0.075","","","0.133","0.147","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008103","12.3698","0.0005","12.3698","0.0005","49.306","0.003","90","","90","","90","","7544.4","0.6","100","2","100","2","","","","","","","","6","P 41","P 4w","76","Ru-bis(terpyridine)(PF~6~)~2~","Bis(2,2',6':2''-terpyridine)Ru(II)(PF~6~)~2~ acetonitrile solvate","","- C34 H28 F12 N8 P2 Ru -","- C34 H28 F12 N8 P2 Ru -","- C272 H224 F96 N64 P16 Ru8 -","8","2","OS1037","Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby","Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate","Acta Crystallographica Section C","1999","55","1","64","67","10.1107/S0108270198011378","","","0.71073","MoKα","","0.0579","0.0543","","","","0.1481","","","","","","1.064","","","","has coordinates,has disorder","191016","2020-10-21","18:00:00",""
"2008104","10.794","0.003","5.054","0.002","27.143","0.01","90","","90.26","0.05","90","","1480.7","0.9","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2SR,5RR,6RR,9SR)-1,2,5,6,9,10-hexachlorodecane","","- C10 H16 Cl6 -","- C10 H16 Cl6 -","- C40 H64 Cl24 -","4","0.5","QA0048","Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet","The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane","Acta Crystallographica Section C","1999","55","1","IUC9800079","","10.1107/S0108270199099965","","","0.71073","MoKα","","0.068","0.051","","","","0.146","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008105","7.0459","0.0014","9.3399","0.0014","12.913","0.003","90","","92.72","0.02","90","","848.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","m-Azidobenzensulfonyl chloride","","- C6 H4 Cl N3 O2 S -","- C6 H4 Cl N3 O2 S -","- C24 H16 Cl4 N12 O8 S4 -","4","1","QA0068","Ziemer, Burkhard; Sauer, Erika","<i>m</i>-Azidobenzenesulfonyl chloride","Acta Crystallographica Section C","1999","55","1","IUC9800074","","10.1107/S0108270199099953","","","0.71073","MoKα","","0.037","0.032","","0.094","0.086","","","","1.037","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008106","11.329","0.003","6.6648","0.0016","12.995","0.003","90","","112.821","0.016","90","","904.4","0.4","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene","","- C11 H16 -","- C11 H16 -","- C44 H64 -","4","1","QA0072","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative","Acta Crystallographica Section C","1999","55","1","IUC9800075","","10.1107/S0108270199099941","","","0.71073","MoKα","","0.0546","0.0467","","","","0.1347","","","","","","1.056","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008107","13.455","0.005","30.61","0.01","6.694","0.005","90","","90","","90","","2757","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-hydroxy tricyclo[5.3.1^1,7^.0^1,5^]undecan-9-one","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","QA0073","Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang","8-Hydroxycedran-9-one","Acta Crystallographica Section C","1999","55","1","IUC9800080","","10.1107/S010827019909993X","","","0.7107","MoKα","","","0.056","","","0.057","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008108","8.649","0.002","9.679","0.002","15.721","0.002","90","","94.82","0.01","90","","1311.4","0.4","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 O2 S5 -","- C12 H4 O2 S5 -","- C48 H16 O8 S20 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.041","0.041","","","","0.061","","","","","","1.272","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008109","7.946","0.004","10.2","0.003","15.638","0.003","90","","104.3","0.02","90","","1228.2","0.8","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 O3 S4 -","- C12 H4 O3 S4 -","- C48 H16 O12 S16 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.039","0.039","","","","0.06","","","","","","1.312","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008110","11.15","0.002","9.028","0.002","25.637","0.005","90","","91.37","0.03","90","","2579.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(ClN2O4)2 - 2AgCF3SO3","μ-[35,44-dichloro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8^3,12^.8^20,29^.3^1,31^.1^1,31^.1^14,18^]dopentaconta -14,16,18(44),31,33,1(35)-hexene]disilver(I) bis(triflate)","","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C84 H124 Ag4 Cl4 F12 N8 O28 S4 -","2","0.5","QA0077","Plenio, Herbert; Diodone, Ralph","A cylindrical macrocycle with two diaza-18-crown-6 macrocycles encapsulating two silver cations","Acta Crystallographica Section C","1999","55","1","IUC9800081","","10.1107/S0108270199099990","","","0.71069","MoKα","","0.038","0.028","","","","0.072","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008111","12.2502","0.0016","6.5155","0.0011","12.415","0.002","90","","108.866","0.011","90","","937.7","0.3","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Tricarbonyl(2,3,6,7-η)-(2,3-diylidenfurane)-iron(0)","","- C9 H6 Fe O4 -","- C9 H6 Fe O4 -","- C36 H24 Fe4 O16 -","4","1","QA0078","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K","Acta Crystallographica Section C","1999","55","1","IUC9800082","","10.1107/S0108270199099989","","","0.71073","MoKα","","0.031","0.03","","","","0.081","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008112","8.146","0.001","8.927","0.001","9.29","0.001","101.14","0.01","100.95","0.01","102.78","0.01","627.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-phenoxymethanesulfonanilide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","QB0069","Chandramohan, Kattamuri; Ravikumar, Krishnan","A nimesulide intermediate","Acta Crystallographica Section C","1999","55","1","IUC9800078","","10.1107/S0108270199099916","","","0.71073","MoKα","","0.051","0.04","","0.116","0.108","","","","1.036","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008113","15.193","0.002","15.193","0.002","17.273","0.003","90","","90","","90","","3987.1","1","100","","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(μ-hydroxo)tris(trimethyltin) iodide","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","QB0070","Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.","Di-μ-hydroxo-tris(trimethyltin) iodide at 100K","Acta Crystallographica Section C","1999","55","1","IUC9800076","","10.1107/S0108270199099977","","","0.71073","MoKα","","0.061","0.034","","","","0.072","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008114","9.0306","0.001","6.6484","0.001","12.8","0.002","90","","96.88","0.01","90","","762.97","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Potassium bromoaurate","Potassium tetrabromoaurate III","","- Au Br4 K -","- Au Br4 K -","- Au4 Br16 K4 -","4","1","SK1203","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","Potassium tetrabromoaurate(III)","Acta Crystallographica Section C","1999","55","1","13","14","10.1107/S010827019801110X","","","0.5608","AgKα","","0.09","0.042","","","","0.101","","","","","","1.032","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008115","14.936","0.001","14.936","0.001","9.913","0.001","90","","90","","120","","1915.2","0.3","293","","293","","","","","","","","","5","P -3","-P 3","147","","(1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)","","- C42 H60 Cr N3 O3 -","- C42 H60 Cr N3 O3 -","- C84 H120 Cr2 N6 O6 -","2","0.333333","SK1214","Martin, Lisandra L.; Taylor, Max R.; Bei Wu","[1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)","Acta Crystallographica Section C","1999","55","1","41","43","10.1107/S0108270198010956","","","0.71073","MoKα","","0.074","0.062","","0.095","0.091","","","","1.237","1.247","1.247","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008116","9.202","0.001","18.87","0.003","19.138","0.002","90","","90","","90","","3323.2","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C144 H152 N8 O16 S16 -","8","1","SK1227","Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇","9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one","Acta Crystallographica Section C","1999","55","1","114","116","10.1107/S0108270198011019","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008117","13.7343","0.0002","6.1274","0.0002","25.2459","0.0007","90","","92.277","0.001","90","","2122.91","0.1","203","2","203","2","","","","","","","","3","C 1 2 1","C 2y","5","Scalarolide","12β-hydroxyscalar-17-en-20,19-olide","","- C25 H38 O3 -","- C25 H38 O3 -","- C100 H152 O12 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.1057","0.085","","","0.226","0.2453","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008118","6.3833","0.0003","10.9108","0.0006","37.2967","0.0019","90","","90","","90","","2597.6","0.2","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Scalarin","12α-acetoxy-19α-hydroxyscalar-19,20-olide methanol solvate","","- C28 H44 O6 -","- C28 H44 O6 -","- C112 H176 O24 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.0934","0.0565","","","","0.1346","","","","","","1.076","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008119","9.233","0.005","12.952","0.003","13.943","0.005","90","0.3","105.93","0.01","90","","1603.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","VJ1085","S. Deepthi; Vasantha Pattabhi; K.Nagarajan","1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","Acta Crystallographica Section C","1999","55","1","100","102","10.1107/S0108270198010373","","","1.5418","CuKα","","0.0421","0.0361","","0.108","0.1031","","","","1.102","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008120","7.713","0.002","8.674","0.001","28.325","0.006","90","","90","","90","","1895","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide","","- C15 H29 N3 O5 -","- C15 H28 N3 O5 -","- C60 H112 N12 O20 -","4","1","VJ1089","S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-threoninamide","Acta Crystallographica Section C","1999","55","1","78","79","10.1107/S0108270198010385","","","1.5418","CuKα","","0.0619","0.059","","","","0.1759","","","","","","1.008","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008121","6.462","0.001","33.014","0.007","10.457","0.002","90","","93.3","0.03","90","","2227.2","0.7","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","isoavarol diacetate","2-(perhydro-1,2,4a-trimethyl-5-methylene-1-naphthylmethyl)-p-phenylene diacetate","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","2","AV1024","Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu.","Isoavarol diacetate","Acta Crystallographica Section C","1999","55","2","266","268","10.1107/S0108270198010993","","","0.71069","MoKα","","0.084","0.05","","0.076","","0.066","","","3.555","","","3.385","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008122","5.621","0.001","8.766","0.001","4.797","0.001","90","","90","","90","","236.37","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","cobalt ammonium hydrate phosphate","","- Co H6 N O5 P -","- Co H6 N O5 P -","- Co2 H12 N2 O10 P2 -","2","0.5","AV1025","Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner","Layer structure of (NH~4~)CoPO~4~","Acta Crystallographica Section C","1999","55","2","151","153","10.1107/S0108270198011639","","","0.71073","MoKα","","0.0152","0.0145","","","","0.0368","","","","","","1.145","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008123","14.348","0.006","11.493","0.006","13.936","0.006","90","","95.43","0.04","90","","2287.8","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-bipyridine)bis(1,3-diaminopropane)nickel(II) perchlorate","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C64 H112 Cl8 N24 Ni4 O32 -","4","0.5","BK1408","Tong, Ye-Xiang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","<i>catena</i>-Poly[[[bis(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II)]-μ-(4,4'-bipyridine-<i>N</i>:<i>N</i>')] diperchlorate]","Acta Crystallographica Section C","1999","55","2","180","182","10.1107/S0108270198011482","","","0.71073","MoKα","","0.046","0.035","","0.091","0.084","","","","1.07","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008124","9.2836","0.0012","11.4842","0.0013","13.7777","0.0012","106.896","0.002","90.436","0.003","93.93","0.002","1401.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N12 O41 Sm2 -","- C42 H30 N12 O42 Sm2 -","- C42 H30 N12 O42 Sm2 -","1","0.5","BM1246","Arici, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Ünaleroḡlu, Canan","Samarium 3,5-dinitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","2","198","200","10.1107/S0108270198012323","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008125","9.088","0.002","8.108","0.002","10.505","0.002","90","","102.14","0.01","90","","756.8","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.111","0.048","","0.058","0.051","","","","","1.578","1.578","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008126","14.53","0.001","8.0567","0.0008","15.928","0.002","90","","101.642","0.008","90","","1826.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N6 O6 S3 -","- C12 H24 N6 O6 S3 -","- C48 H96 N24 O24 S12 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.067","0.038","","0.058","0.054","","","","","1.972","1.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008127","10.6849","0.0002","15.7703","0.0004","17.7065","0.0004","89.543","0.001","72.857","0.001","71.607","0.001","2693.49","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloro(1,1'-bis(diphenylphosphine oxide)methane-p',p'')antimony(III)","","- C25 H22 Cl3 O2 P2 Sb -","- C25 H22 Cl3 O2 P2 Sb -","- C100 H88 Cl12 O8 P8 Sb4 -","4","2","BM1263","Ibrahim Abdul Razak; Hoong-Kun Fun; Bohari M. Yamin; Kandasamy Chinnakali; Hasbullah Zakaria; Norismaliza Binti Ismail","Trichloro[methylenebis(diphenylphosphine oxide-<i>O</i>)]antimony(III)","Acta Crystallographica Section C","1999","55","2","172","174","10.1107/S0108270198012335","","","0.71073","MoKα","","0.045","0.035","","","","0.081","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008128","12.316","0.002","9.606","0.002","18.296","0.003","90","","103.77","0.02","90","","2102.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Flemiculosin","6-cinnamoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","BM1267","Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri","Flemiculosin, a novel chalcone","Acta Crystallographica Section C","1999","55","2","215","217","10.1107/S0108270198011421","","","1.54178","CuKα","","0.0814","0.0583","","0.2302","0.1838","","","","1.003","1.103","1.103","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008129","7.2264","0.0009","8.025","0.0018","16.5902","0.0012","90","","92.052","0.008","90","","961.5","0.3","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","BM1270","Finnie, Stuart; Kennedy, Alan R.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Sherwood, John N.","<i>para</i>-Acetoxyacetanilide","Acta Crystallographica Section C","1999","55","2","234","236","10.1107/S0108270198012852","","","0.71069","MoKα","","0.1146","0.0436","","","","0.1467","","","","","","0.997","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008130","7.3402","0.0013","8.7066","0.0013","11.179","0.002","70.591","0.016","81.513","0.018","71.158","0.017","637.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O12 -","- C7 H14 Cu O12 -","- C14 H28 Cu2 O24 -","2","1","BM1282","Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J.","Pentaaqua(chelidonato-<i>O</i>^4^)copper(II) monohydrate","Acta Crystallographica Section C","1999","55","2","178","180","10.1107/S0108270198011895","","","0.71073","MoKα","","0.034","0.032","","","","0.088","","","","","","1.089","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008131","10.857","0.003","11.2892","0.0009","18.5162","0.0009","90","","90","","90","","2269.5","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-benzyl-2-hydroxycyclohexanone","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","BM1297","McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.","2-Benzyl-2-hydroxycyclohexanone","Acta Crystallographica Section C","1999","55","2","268","270","10.1107/S0108270198013869","","","0.71073","MoKα","","0.0882","0.0493","","","","0.135","","","","","","1.015","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008132","5.710728","0.000016","5.710728","0.000016","21.44383","0.0001","90","","90","","120","","605.642","0.004","295","","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 Mn2 O8 -","- Ba3 Mn2 O8 -","- Ba9 Mn6 O24 -","3","0.0833333","BR1210","Weller, Mark T.; Skinner, Stephen J.","Ba~3~Mn~2~O~8~ determined from neutron powder diffraction","Acta Crystallographica Section C","1999","55","2","154","156","10.1107/S0108270198011871","","neutron","","neutron","","","0.064","","","0.07","","","","","1.7","1.7","","","","","has coordinates","188601","2020-10-21","18:00:00",""
"2008133","6.777","0.001","4.915","0.001","8.455","0.002","90","","91.11","0.03","90","","281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","ammonium oxovanadium(IV) phosphate ammonia","ammonium oxovanadium(IV) phosphate ammonia","","- H7 N2 O5 P V -","- H7 N2 O5 P V -","- H14 N4 O10 P2 V2 -","2","1","BR1216","Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred","NH~4~VO(NH~3~)PO~4~","Acta Crystallographica Section C","1999","55","2","156","157","10.1107/S0108270198011123","","","0.71073","MoKα","","0.05","0.034","","","","0.07","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008134","7.756","0.006","17.107","0.002","6.09","0.002","90","","90","","90","","808","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","CF1254","Okabe, Nobuo; Adachi, Yukari","(<i>S</i>)-2-Hydroxy-3-(1<i>H</i>-imidazol-5-yl)propanoic acid hydrate","Acta Crystallographica Section C","1999","55","2","217","218","10.1107/S0108270198012542","","","0.71069","MoKα","","","0.06","","","0.107","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008135","20.745","0.002","9.921","0.001","9.232","0.001","90","","101.15","0.01","90","","1864.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C80 H72 N32 O8 -","4","1","CF1258","Nieuwenhuyzen, M.; Keirse, R.; Shaw, B.; Vos, J. G.","A 2:1 co-crystal of 5-(2-pyridyl)-1<i>H</i>-1,2,4-triazole and 1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","2","264","266","10.1107/S0108270198012359","","","0.71073","MoKα","","0.053","0.038","","0.095","0.085","","","","1.04","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008136","7.442","0.001","18.29","0.001","10.284","0.001","90","","104.74","0.01","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","1","CF1276","Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož","<i>trans</i>-Diaquabis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","2","176","178","10.1107/S0108270198011640","","","0.71073","MoKα","","0.0555","0.034","","","","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008137","24.1291","0.0003","8.4281","0.0001","20.6083","0.0003","90","","90","","90","","4190.95","0.09","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetra(acetonitrile-N)lithium perchlorate","","- C8 H12 Cl Li N4 O4 -","- C8 H12 Cl Li N4 O4 -","- C96 H144 Cl12 Li12 N48 O48 -","12","3","DA1013","Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G.","The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~","Acta Crystallographica Section C","1999","55","2","196","198","10.1107/S0108270198011834","","","0.71073","MoKα","","0.083","0.057","","","","0.116","","","","1.113","1.113","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008138","21.1645","0.0001","21.1645","0.0001","28.9378","0.0001","90","","90","","120","","11225.7","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","cuprous bromide triphenylphosphite cubane tetramer","tetra-μ~3~-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Br4 Cu4 O12 P4 -","- C72 H60 Br4 Cu4 O12 P4 -","- C432 H360 Br24 Cu24 O72 P24 -","6","0.333333","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.08","0.048","","0.147","","0.147","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008139","14.6643","0.0002","22.6409","0.0003","22.6645","0.0001","90","","107.434","0.001","90","","7179.23","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cuprous chloride triphenylphosphite cubane tetramer","tetra-μ~3~-chloro-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Cl4 Cu4 O12 P4 -","- C72 H60 Cl4 Cu4 O12 P4 -","- C288 H240 Cl16 Cu16 O48 P16 -","4","1","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.1","0.049","","","","0.111","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008140","9.31","0.002","11.341","0.004","11.887","0.003","102.01","0.02","97.05","0.02","104.81","0.02","1166.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","μ-[1,1'-(1,2-Ethanediyl)bis(1,2,4-1H-triazole)]-N^4^:N^4^'-bis{[1,1,1- trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}","","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","1","0.5","DA1029","Baolong Li; Jianzhong Zou; Chunying Duan; Yongjiang Liu; Xianwen Wei; Zheng Xu","μ-[1,1'-(1,2-Ethanediyl)bis(1<i>H</i>-1,2,4-triazole)]-<i>N</i>^4^:<i>N</i>^4'^-bis{bis[1,1,1-trifluoro-3-(2-thenoyl)acetonato-<i>O</i>,<i>O</i>']copper(II)}","Acta Crystallographica Section C","1999","55","2","165","167","10.1107/S0108270198011846","","","0.71073","MoKα","","0.051","0.038","","0.123","0.109","","","","1.013","1.022","1.022","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008141","8.038","0.002","20.482","0.004","13.677","0.003","90","","91.76","0.02","90","","2250.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 Cr O4 -","- C28 H18 Cr O4 -","- C112 H72 Cr4 O16 -","4","1","DA1035","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","1999","55","2","200","202","10.1107/S0108270198012104","","","0.71073","MoKα","","0.0441","0.0397","","0.0789","0.0773","","","","0.808","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008142","6.866","0.003","9.101","0.004","9.927","0.004","100.62","0.02","90.85","0.03","109.34","0.02","573.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me6trans[14]teteneN4)](ClO4)2","[Nickel(II)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- -1,4,8,11-tetraene)]diperchlorate","","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","1","0.5","DA1042","Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","2","160","162","10.1107/S0108270198012116","","","0.71073","MoKα","","0.0747","0.0562","","","","0.1564","","","","","","0.943","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008143","6.229","0.002","7.3544","0.0007","15.137","0.003","90.8","0.01","97.34","0.02","113.63","0.01","628.5","0.3","293","1","293","1","","","","","","","","3","P 1","P 1","1","Taraxerone","Taraxerone","","- C30 H48 O -","- C30 H48 O -","- C30 H48 O -","1","1","DA1044","Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz","Taraxerone","Acta Crystallographica Section C","1999","55","2","213","215","10.1107/S0108270198012463","","","1.54178","CuKα","","0.059","0.055","","","","0.148","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008144","6.685","0.002","13.2357","0.0011","14.8763","0.0019","93.677","0.009","98.114","0.016","90.359","0.014","1300.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","2","DE1090","Satyen Saha; Anunay Samanta","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","Acta Crystallographica Section C","1999","55","2","252","254","10.1107/S0108270198012128","","","0.71073","MoKα","","0.083","0.05","","","","0.148","","","","","","0.998","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008145","24.772","0.005","10.165","0.002","15.362","0.003","90","","120.68","0.03","90","","3326.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(MALONATE)(AQUA)(5,6-DIMETHYL-1,10'PHENANTHROLINE) COPPER (II) HYDRATE","","- C34 H36 Cu2 N4 O12 -","- C17 H18 Cu N2 O6 -","- C136 H144 Cu8 N16 O48 -","8","1","FR1113","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) hydrate","Acta Crystallographica Section C","1999","55","2","158","160","10.1107/S0108270198009937","","","0.71073","MoKα","","0.056","0.032","","","","0.096","","","","","","1.057","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008146","6.5453","0.0006","7.5995","0.0008","24.855","0.003","90","","95.46","0.02","90","","1230.7","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","FR1126","Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela","A 1:1 complex of 4-nitropyridine <i>N</i>-oxide and 3-hydroxybenzoic acid","Acta Crystallographica Section C","1999","55","2","218","220","10.1107/S0108270198009949","","","0.71073","MoKα","","0.083","0.038","","0.117","0.084","","","","1.114","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008147","10.253","0.001","11.2035","0.0009","8.008","0.001","90","","90","","90","","919.87","0.16","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminohippuric acid","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","FR1150","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4-aminohippuric acid","Acta Crystallographica Section C","1999","55","2","206","208","10.1107/S0108270198011767","","","0.71073","MoKα","","","0.036","","","0.059","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008148","7.0863","0.0005","4.3394","0.0006","13.2126","0.0006","90","","90.147","0.005","90","","406.29","0.07","296","","296","","","","","","","","","3","I 1 2 1","I 2y","5","(+)-tartaric acid dimethyl ether","(2R,3R)-(+)-2,3-dimethoxybutanedioic acid","","- C6 H10 O6 -","- C6 H10 O6 -","- C12 H20 O12 -","2","0.5","FR1158","Gerkin, Roger E.","Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]","Acta Crystallographica Section C","1999","55","2","209","211","10.1107/S0108270198012694","","","0.71073","MoKα","","","0.031","","","0.056","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008149","14.4077","0.0011","8.0758","0.0007","19.0278","0.0008","90","","92.95","0.005","90","","2211","0.3","293","","298","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dibenzobarrelene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene","","- C16 H12 -","- C16 H12 -","- C128 H96 -","8","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.038","0.038","","0.042","0.042","","","","","","","2.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008150","10.688","0.001","6.3449","0.0006","16.978","0.003","90","","104.62","0.01","90","","1114.1","0.3","293","","298","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9,10-ethano-9,10-dihydroanthracene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5-diene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.035","0.035","","0.042","0.042","","","","","","","2.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008151","9.5974","0.0013","18.9323","0.0011","7.2881","0.001","90","","94.229","0.012","90","","1320.6","0.3","293","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrabenzo-24-crown-8","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.5","FR1161","Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A.","Tetrabenzo-24-crown-8","Acta Crystallographica Section C","1999","55","2","250","252","10.1107/S0108270198012700","","","1.5418","CuKα","","0.046","0.038","","","","0.111","","","1.02","1.04","1.04","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008152","13.658","0.001","11.388","0.001","22.178","0.002","90","","106.951","0.008","90","","3299.6","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","FR1167","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","Acta Crystallographica Section C","1999","55","2","203","206","10.1107/S0108270198012761","","","0.71073","MoKα","","","0.074","","","","0.097","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008153","11.777","0.0011","9.3742","0.0005","17.0675","0.0015","90","","106.623","0.007","90","","1805.5","0.3","296","2","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-(N,N-dimethylaminomethyleneamino)-1-(2,2-pivaloyloxymethyl) pteridin-4-one","","- C15 H19 Cl N6 O3 -","- C15 H19 Cl N6 O3 -","- C60 H76 Cl4 N24 O12 -","4","1","GD1002","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","A 1-alkylated pteridine, C~15~H~19~ClN~6~O~3~","Acta Crystallographica Section C","1999","55","2","254","256","10.1107/S0108270198011883","","","1.5418","CuKα","","0.114","0.055","","","","0.167","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008154","8.792","0.002","12.481","0.002","18.44","0.004","90","","90","","90","","2023.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O7 S -","- C18 H30 O7 S -","- C72 H120 O28 S4 -","4","1","GS1019","Alayrac, Carole; Saint-Clair, Jean-François; Lemarié, Margareth; Metzner, Patrick; Averbuch-Pouchot, Marie-Thérèse","1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl (<i>S</i>)-cyclohexanesulfinate","Acta Crystallographica Section C","1999","55","2","262","264","10.1107/S0108270198012384","","","0.7107","MoKα","","0.04","0.04","","0.045","0.045","","","","1.854","1.854","1.854","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008155","13.13","0.009","5.149","0.002","18.166","0.003","90","","90.92","0.03","90","","1228","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","1.5418","CuKα","","0.057","0.049","","0.128","0.121","","","","1.068","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008156","9.426","0.002","9.795","0.002","9.909","0.002","68.7","0.02","81.17","0.02","70","0.02","800.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","0.71073","MoKα","","0.24","0.055","","0.125","0.104","","","","0.771","1.272","1.272","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008157","13.322","0.001","5.167","0.001","20.938","0.001","90","","90","","90","","1441.3","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","HA1235","Bolte, Michael; Bauch, Christian","<i>cis</i>-1,2,3,6-Tetrahydrophthalic anhydride at 173K","Acta Crystallographica Section C","1999","55","2","226","228","10.1107/S0108270198012402","","","0.71073","MoKα","","0.0397","0.0323","","","","0.0853","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008158","6.1925","0.0001","10.2272","0.0003","24.8189","0.0006","90","","90","","90","","1571.83","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-furyl)-1,4,6,6a,7,10,10a,10b-octahydro-6a,10b-dimethyl-2H-naptho [2,1-c]pyran-7,4-dione","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HA1236","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Δ^8,9^-Decarboxyfibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1999","55","2","228","230","10.1107/S0108270198011962","","","0.71073","MoKα","","0.086","0.054","","","","0.113","","","","","","1.086","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008159","9.327","0.005","17.472","0.008","7.296","0.004","90","","115.51","0.04","90","","1073.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl mustard oil sulphide Hydrochloride","4-Ethyl-5-ethyliminium-1,2,4-dithiazolidine-3-thione chloride","","- C6 H11 Cl N2 S3 -","- C6 H11 Cl N2 S3 -","- C24 H44 Cl4 N8 S12 -","4","1","JZ1288","Beck, Johannes; Walter, Jörg","Ethyl mustard oil sulfide hydrochloride","Acta Crystallographica Section C","1999","55","2","260","262","10.1107/S0108270198011184","","","0.71073","MoKα","","0.0426","0.037","","","0.1034","0.1101","","","","1.068","1.068","1.063","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008160","26.174","0.007","5.5429","0.0007","15.727","0.004","90","","116.6","0.02","90","","2040.2","0.9","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cu~2(DAB)~2","Bis(μ-diazoaminobenzene)dicooper(I)","","- C24 H20 Cu2 N6 -","- C24 H20 Cu2 N6 -","- C96 H80 Cu8 N24 -","4","0.5","JZ1296","Falvello, Larry R.; Urriolabeitia, Esteban P.; Mukhopadhyay, U.; Ray, D.","Redetermination of (diazoaminobenzene)copper(I) at 150K","Acta Crystallographica Section C","1999","55","2","170","172","10.1107/S0108270198011706","","","0.71073","MoKα","","0.0453","0.0308","","","","0.0812","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008161","11.495","0.001","11.495","0.001","19.134","0.003","90","","90","","90","","2528.3","0.5","150","","150","","","","","","","","","5","I -4 2 m","I -4 2","121","","Bis(tetramethylammonium)tetra-μ~3~-sulfido-tetrakis [(2,2-dimethylpropanethiolato-S)iron(III)]","","- C28 H68 Fe4 N2 S8 -","- C28 H84 Fe4 N2 S8 -","- C56 H168 Fe8 N4 S16 -","2","0.125","JZ1305","Ralf Hauptmann; Jörg Schneider; Martin Köckerling; Gerald Henkel","Bis(tetramethylammonium) tetra-μ~3~-sulfido-tetrakis[(2,2-dimethylpropanethiolato-<i>S</i>)iron]: a heterocubane complex anion with crystallographically imposed øverline{4}2<i>m</i> symmetry","Acta Crystallographica Section C","1999","55","2","190","192","10.1107/S0108270198011718","","","0.71073","MoKα","","","0.055","","","","0.151","","","","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008162","10.696","0.005","11.305","0.005","13.301","0.005","90","0.005","110.06","0.005","90","0.005","1510.8","1.1","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-butyl N-(1-aminocarbonyl-1-isopropylbut-3-enyl)carbamate","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","1","JZ1318","Badorrey, Ramón; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.; Lapeña, Yolanda","2-<i>tert</i>-Butoxycarbonylamino-2-isopropyl-4-pentenamide, a new conformationally restricted α,α-dialkylglycine derivative","Acta Crystallographica Section C","1999","55","2","241","243","10.1107/S010827019801172X","","","0.71069","MoKα","","","0.054","","","","0.154","","","","","","1.006","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008163","8.111","0.001","13.449","0.002","24.09","0.005","90","","90","","90","","2627.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),2(2R),4R]-2-ethyl-2-(2-hydroxy-1-methyl-2-phenylpropyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.032","0.031","","","","0.085","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008164","8.901","0.001","11.935","0.002","25.898","0.002","90","","90","","90","","2751.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),4R]-2-[1-(3-ethoxy-3-oxo)-1-hydroxy-1-phenylpropyl]-2-ethyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C29 H33 N O6 S -","- C29 H33 N O6 S -","- C116 H132 N4 O24 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.046","0.042","","","","0.109","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008165","11.054","0.001","14.824","0.003","15.25","0.003","90","","90","","90","","2498.9","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5)-tetrahydro-3-methylen-2-oxo-5-phenyl-furan-5-yl)- 1,3-oxazolidine","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.03","0.029","","0.084","0.081","","","","1.06","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008166","10.236","0.001","22.433","0.003","12.188","0.002","90","","104.89","0.01","90","","2704.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Methyl-(p-chorophenacyl)aniline","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","KA1278","M. Paz Martínez-Alcázar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodríguez","<i>N</i>-(<i>p</i>-Chlorobenzoyl)-<i>N</i>-methylaniline","Acta Crystallographica Section C","1999","55","2","256","258","10.1107/S0108270198010774","","","1.5418","CuKα","","0.077","0.0535","","","","0.1415","","","","","","0.932","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008167","18.3481","0.0016","8.3075","0.0007","13.2995","0.0009","90","","113.96","0.006","90","","1852.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Bis(2-aminobenzothiazole-N)-bis(formato-O,O')copper(II)","","- C16 H14 Cu N4 O4 S2 -","- C16 H14 Cu N4 O4 S2 -","- C64 H56 Cu4 N16 O16 S8 -","4","0.5","KA1298","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>cis</i>-Bis(2-amino-1,3-benzothiazole-<i>N</i>^3^)bis(formato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","2","167","169","10.1107/S0108270198011743","","","0.71073","MoKα","","0.0387","0.0325","","","","0.0801","","","","","","1.142","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008168","24.49","0.005","39.314","0.008","11.808","0.002","90","","90","","90","","11369","4","150","","150","","","","","","","","","6","F d d 2","F 2 -2d","43","","Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)","","- C48 H80 Fe4 N3 S4 Se4 -","- C48 H80 Fe4 N3 S4 Se4 -","- C384 H640 Fe32 N24 S32 Se32 -","8","0.5","LN1065","Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald","Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]","Acta Crystallographica Section C","1999","55","2","192","194","10.1107/S0108270198012190","","","0.71073","MoKα","","","0.0366","","","","0.0824","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008169","8.744","0.004","14.219","0.007","19.552","0.009","90","","98.63","0.04","90","","2403","2","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquabis(2,2'-bipyridine-N,N')(perchlorato-O)-manganese(II) perchlorate","","- C20 H18 Cl2 Mn N4 O9 -","- C20 H16 Cl2 Mn N4 O9 -","- C80 H64 Cl8 Mn4 N16 O36 -","4","1","LN1066","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Aquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(perchlorato-<i>O</i>)manganese(II) perchlorate","Acta Crystallographica Section C","1999","55","2","186","188","10.1107/S0108270198012049","","","1.54179","CuKα","","0.121","0.068","","","","0.211","","","","","","1.079","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008170","9.024","0.003","11.442","0.002","17.506","0.003","86.12","0.01","79.1","0.02","68.33","0.02","1649.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O4 -","- C20 H12 N2 O4 -","- C80 H48 N8 O16 -","4","2","LN1070","Elmali, Ayhan; Kabak, Mehmet; Elerman, Yalc̨in","2-Salicylideneamino-4,5-bis(2-furyl)furan-3-carbonitrile","Acta Crystallographica Section C","1999","55","2","258","260","10.1107/S0108270198012268","","","0.71069","MoKα","","0.0773","0.0467","","0.1618","0.1162","","","","1.092","0.987","0.987","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008171","10.118","0.002","9.705","0.003","11.919","0.003","90","","97.32","0.01","90","","1160.8","0.5","292","","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(tert-Butyl)-3-(2-pyridyl)thiourea","","- C10 H15 N3 S -","- C10 H15 N3 S -","- C40 H60 N12 S4 -","4","1","NA1341","Angelova, Olyana; Kossev, Krasimir; Atanasov, Vladimir","1-(<i>tert</i>-Butyl)-3-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","2","220","222","10.1107/S0108270198009615","","","0.71073","MoKα","","0.063","0.043","","","","0.128","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008172","6.5118","0.0004","8.1702","0.0006","13.9142","0.0008","72.501","0.005","75.962","0.005","71.093","0.006","659.22","0.08","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl3 N2 -","- C14 H9 Cl3 N2 -","- C28 H18 Cl6 N4 -","2","1","NA1364","Kendi̇, Engi̇n; Özbey, Süheyla; Göker, Hakan","2,5-Dichloro-1-(<i>p</i>-chlorobenzyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","1999","55","2","243","245","10.1107/S0108270198011196","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008173","15.684","0.003","16.17","0.003","17.222","0.003","90","","116.75","0.01","90","","3900.2","1.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0)","","- C14 H27 Cr O3 P3 -","- C14 H27 Cr O3 P3 -","- C112 H216 Cr8 O24 P24 -","8","2","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0572","","","","0.0595","","","","","","1.53","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008174","8.601","0.002","16.324","0.004","14.422","0.002","90","","96.59","0.02","90","","2011.5","0.7","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]molybdenum(0)","","- C14 H27 Mo O3 P3 -","- C14 H27 Mo O3 P3 -","- C56 H108 Mo4 O12 P12 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0408","","","","0.0502","","","","","","1.746","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008175","8.566","0.001","16.281","0.002","14.41","0.002","90","","96.77","0.01","90","","1995.6","0.4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]tungsten(0)","","- C14 H27 O3 P3 W -","- C14 H27 O3 P3 W -","- C56 H108 O12 P12 W4 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0268","","","","0.0347","","","","","","1.382","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008176","7.2454","0.0003","9.1927","0.0004","15.6539","0.0007","92.418","0.001","99.687","0.001","112.666","0.001","941.79","0.07","203","2","203","2","","","","","","","","5","P -1","-P 1","2","SN 18071.Ts","1,4-bis[4-(1-pyridinium)styryl)]benzene ditosylate","","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","1","0.5","OS1035","Clark, George R.; Denny, William A.; Squire, Christopher J.","1,4-Bis[4-(1-pyridinium)styryl]benzene ditosylate","Acta Crystallographica Section C","1999","55","2","230","232","10.1107/S0108270198012396","","","0.71073","MoKα","","0.049","0.04","","","","0.107","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008177","11.36","0.003","12.237","0.002","11.717","0.002","90","","93.63","0.03","90","","1625.5","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1-(thiomethyl)-2-(diphenylphosphino)ethane]palladium(II)","","- C15 H17 Cl2 P Pd S -","- C15 H17 Cl2 P Pd S -","- C60 H68 Cl8 P4 Pd4 S4 -","4","1","OS1039","Adnan S. Abu-Surrah; Kristian Lappalainen; Martti Klinga; Markku Leskelä; Hamdallah A. Hodali; Bernhard Rieger","A dichloropalladium(II) complex with a mixed-donor bidentate ligand: dichloro[2-(diphenylphosphino)-1-(methylthio)ethane-<i>P</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1999","55","2","188","190","10.1107/S0108270198012773","","","0.71073","MoKα","","0.05","0.037","","0.077","0.073","","","","1.03","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008178","14.901","0.002","15.785","0.001","8.012","0.002","90","","98.67","0.02","90","","1863","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O3 -","- C10.5 H12 N O1.5 -","- C84 H96 N8 O12 -","8","1","OS1040","Hökelek, Tuncer; Kılıç, Zeynel; Bilge, Selen","2,5,8-Trioxa-16,20-diazatricyclo[20.4.0.0^9,14^]hexacosa-9,11,13,15,20,22,24,26-octaene","Acta Crystallographica Section C","1999","55","2","248","250","10.1107/S0108270198012281","","","0.71069","MoKα","","","0.0691","","","0.075","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008179","9.557","0.001","16.14","0.001","13.688","0.001","90","0.001","100.978","0.001","90","0.001","2072.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.061","","","0.087","","","","","1.506","1.506","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008180","9.942","0.001","16.184","0.001","13.787","0.001","90","0.001","107.64","0.001","90","0.001","2114","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N4 O3 -","- C23 H23 Cl N4 O3 -","- C92 H92 Cl4 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.069","","","0.093","","","","","1.56","1.56","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008181","14.84","0.001","7.0447","0.0007","4.2585","0.0004","81.292","0.008","84.988","0.008","84.837","0.008","437.05","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Potassium 2,4-dichloro-6-nitrophenolate","potassium 2,4-dichloro-6-nitrophenolate","","- C6 H2 Cl2 K N O3 -","- C6 H2 Cl2 K N O3 -","- C12 H4 Cl4 K2 N2 O6 -","2","1","QA0075","Vasiliev, Alexander D.; Solovyov, Leonid A.","Potassium 2,4-dichloro-6-nitrophenolate","Acta Crystallographica Section C","1999","55","2","IUC9900004","","10.1107/S0108270199099904","","","1.54051","CuKα","","0.053","0.051","","","","0.13","","","","","","1.099","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008182","7.242","0.007","10.01","0.007","10.962","0.006","115.96","0.05","90.89","0.03","107.84","0.07","669.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","phenanthridine hydrogenselenate monohydrate","9-azaphenathrenium(1+) hydrogenselenate(1-) monohydrate","","- C13 H13 N O5 Se -","- C13 H13 N O5 Se -","- C26 H26 N2 O10 Se2 -","2","1","QA0076","Slouf, Miroslav; Cisarova, Ivana","Phenathridinium hydrogenselenate monohydrate","Acta Crystallographica Section C","1999","55","2","IUC9900003","","10.1107/S0108270199099874","","","0.71073","MoKα","","0.065","0.055","","","","0.148","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008183","5.2326","0.0003","16.766","0.002","6.613","0.0005","90","","106.983","0.005","90","","554.86","0.09","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-bromopropyl)-5-nitro-1H-indole","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","","0.025","","","0.036","","","","","1.978","1.978","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008184","10.3272","0.0007","13.962","0.001","7.4435","0.0006","90","","99.489","0.006","90","","1058.58","0.14","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxypropyl)-5-nitro-1H-indole","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","0.052","0.047","","0.056","0.056","","","","1.851","1.848","1.848","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008185","9.952","0.002","11.767","0.002","6.206","0.002","90","","90","","90","","726.8","0.3","125","2","125","2","","","","","","","","3","I b a m","-I 2 2c","72","","2-Propenoic Acid","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Boese, R.; Bläser, D.; Steller, I.; Latz, R.; Bäumen, A.","Redetermination of 2-propenoic acid at 125K","Acta Crystallographica Section C","1999","55","2","IUC9900006","","10.1107/S0108270199099850","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.074","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008186","13.129","0.003","19.201","0.004","27.672","0.006","90","","90","","90","","6976","3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1R,5S,6R)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]- dec-2-en-5-yl)-2-tert-butyldimethylsilyloxy-4,6-dimethoxy-phenyl]-3-methyl- butan-1-one","","- C32.5 H52 O6.5 S Si -","- C32.5 H52 O6.5 S Si -","- C260 H416 O52 S8 Si8 -","8","2","QA0081","Bats, Jan W.; Berger, Bernd; Gerlach, Matthias; Reggelin, Michael","(+)-(1<i>R</i>,5<i>S</i>,6<i>R</i>)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]dec-2-en-5-yl)-2-<i>tert</i>-butyldimethylsilyloxy-4,6-dimethoxyphenyl]-3-methylbutan-1-one methyl <i>tert</i>-butyl ethersolvate at 133K","Acta Crystallographica Section C","1999","55","2","IUC9900002","","10.1107/S0108270199099837","","","0.71073","MoKα","","0.103","0.061","","","","0.114","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008187","13.151","0.003","3.923","0.001","5.762","0.001","90","","90","","90","","297.27","0.11","40","2","40","2","","","","","","","","3","P n a 21","P 2c -2n","33","Acetic acid","Ethanoic acid","","- C2 H4 O2 -","- C2 H4 O2 -","- C8 H16 O8 -","4","1","QA0082","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Acetic acid at 40K","Acta Crystallographica Section C","1999","55","2","IUC9900001","","10.1107/S0108270199099862","","","0.71073","MoKα","","0.0413","0.0397","","","","0.0986","","","","","","1.131","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008188","7.0377","0.0001","25.6325","0.0002","8.7769","0.0001","90","","108.731","0.001","90","","1499.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-Di(2-chlorophenyl)-1,2,4-triazole-3-thione.","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","QA0084","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Vayalakkavoor T. Ramakrishnan","3,4-Bis(2-chlorophenyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","2","IUC9900005","","10.1107/S0108270199099813","","","0.71073","MoKα","","0.114","0.07","","","","0.207","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008189","14.436","0.003","28.732","0.003","8.592","0.002","90","","106.34","0.02","90","","3419.8","1.2","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N,N'-disalicylideneethylenediamine)(isothiocyanato)oxovanadium(V)","","","- C17 H14 N3 O3 S V -","- C17 H14 N3 O3 S V -","- C136 H112 N24 O24 S8 V8 -","8","2","QA0085","Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediamine](isothiocyanato)oxovanadium(V)","Acta Crystallographica Section C","1999","55","2","IUC9900008","","10.1107/S0108270199099898","","","0.71073","MoKα","","0.123","0.051","","","","0.081","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008190","8.0436","0.0002","8.7719","0.0003","8.9585","0.0003","73.188","0.001","63.829","0.001","73.398","0.002","533.76","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-hydroxy-4-methyl-9,10-dihydro-7,8-benzocoumarin","","- C14 H12 O3 -","- C14 H12 O3 -","- C28 H24 O6 -","2","1","QA0086","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-4-methyl-9,10-dihydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","2","IUC9900011","","10.1107/S0108270199099825","","","0.71073","MoKα","","0.095","0.072","","","","0.231","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008191","4.1458","0.0002","12.5203","0.0004","11.1023","0.0004","90","","100.06","0.002","90","","567.42","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-1,2-(Di-2'-chlorocyclopentenyl)ethylene","","- C12 H14 Cl2 -","- C12 H14 Cl2 -","- C24 H28 Cl4 -","2","0.5","QA0087","Susmita Gupta; Jayanta Kumar Ray; Kandasamy Chinnakali; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(2-chlorocyclopentenyl)ethene","Acta Crystallographica Section C","1999","55","2","IUC9900012","","10.1107/S0108270199099801","","","0.71073","MoKα","","0.088","0.064","","","","0.172","","","","","","0.923","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008192","12.8316","0.0002","13.5924","0.0002","23.8128","0.0004","79.5365","0.0009","88.225","0.0008","63.4592","0.0008","3647.83","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-tri-tertbutyldimethylsilyloxymethyl-2,4,6-triiodbenzene","","- C27 H51 I3 O3 Si3 -","- C27 H51 I3 O3 Si3 -","- C108 H204 I12 O12 Si12 -","4","2","QA0088","Løiten, Marianne Sveaas; Gløgård, Christian; Dalhus, Bjørn; Fjartoft, Berit; Klaveness, Jo","2,4,6-Triiodo-1,3,5-tris(<i>tert</i>-butyldimethylsilyloxymethyl)benzene","Acta Crystallographica Section C","1999","55","2","IUC9900009","","10.1107/S0108270199099795","","","0.71073","MoKα","","0.068","0.057","","0.151","0.136","","","","1.997","2.074","2.074","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2008193","8.486","0.001","9.571","0.001","19.68","0.002","90","","101.54","0.01","90","","1566.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxyl-6,7,9,10,11-pentahydro-2-hydroxyl-2-methyl-1H-cyclopenta[jk] pyrrolo[2,1-b][3]benzazepine-1-one","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","QA0092","Zhong, Sanbao; Deng, Yijian; Yu, Kaibei; Zhu, Jin; Mi, Aiqiao; Jiang, Yaozhong; Zhang, Guoling","2-Hydroxy-3,4-dimethoxy-2-methyl-1,2,6,7,10,11-hexahydro-9<i>H</i>-cyclopenta[<i>jk</i>]pyrrolo[2,1-<i>b</i>][3]benzazepin-1-one","Acta Crystallographica Section C","1999","55","2","IUC9900013","","10.1107/S0108270199099886","","","0.71073","MoKα","","0.049","0.034","","0.142","0.083","","","","0.952","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008194","13.524","0.002","11.221","0.001","18.41","0.002","90","","96.06","0.01","90","","2778.2","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H15 Cu Na O12 -","- C9 H15 Cu Na O12 -","- C72 H120 Cu8 Na8 O96 -","8","1","SK1164","Chui, Stephen Sin Yin; Siu, Alvin; Williams, Ian D.","Sodium copper(II) trimesate, [NaCu{C~6~H~3~(COO)~3~}(H~2~O)~4~].2H~2~O, a double-sheet coordination polymer with bridging aqua ligands","Acta Crystallographica Section C","1999","55","2","194","196","10.1107/S0108270198010944","","","0.71073","MoKα","","0.0391","0.0317","","0.0848","0.0788","","","","1.064","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008195","11.6017","0.001","11.2268","0.0011","16.752","0.0015","90","","108.936","0.008","90","","2063.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","A Binuclear Cadmium(II) complex: Bis(diisopropyldithiocarbamate) Cadmium(II)","","- C28 H56 Cd2 N4 S8 -","- C28 H56 Cd2 N4 S8 -","- C56 H112 Cd4 N8 S16 -","2","0.5","SK1201","Fang-fang Jian; Zuo-xiang Wang; Hoong-Kun Fun; Zhi-ping Bai; Xiao-zeng You","A binuclear cadmium(II) complex: bis[bis(<i>N,N</i>-diisopropyldithiocarbamato)cadmium(II)]","Acta Crystallographica Section C","1999","55","2","174","176","10.1107/S0108270198012062","","","0.71073","MoKα","","0.0586","0.0411","","0.1056","0.0989","","","","0.95","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008196","21.935","0.001","11.4354","0.0007","9.9743","0.0006","90","","90","","90","","2501.9","0.2","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[2-(dimethylamino)ethylaminomethyl]-4-chlorophenol","","- C11 H17 Cl N2 O -","- C11 H17 Cl N2 O -","- C88 H136 Cl8 N16 O8 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.041","","","0.046","","","","","","","1.295","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008197","15.9034","0.0008","10.5054","0.0005","16.1559","0.0008","90","","90","","90","","2699.2","0.2","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-dimethylamino)ethylaminomethyl]-6-methoxyphenol","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.048","","","0.056","","","","","","","1.569","","","","has coordinates,has Fobs","190596","2020-10-21","18:00:00",""
"2008198","14.283","0.002","17.083","0.004","7.723","0.003","90","","90","","90","","1884.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-indolyl)acrylamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","SX1071","Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta","3-(3-Indolyl)acrylamide","Acta Crystallographica Section C","1999","55","2","211","213","10.1107/S0108270198012505","","","0.71069","MoKα","","0.159","0.041","","","","0.132","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008199","7.0518","0.0001","5.851","0.0001","10.3799","0.0002","90","","108.22","0.001","90","","406.803","0.012","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","silver(I) diammino-disulfito-palladat(II)","disilver(I) diamminedisulfitopalladium(II)","","- Ag2 H6 N2 O6 Pd S2 -","- Ag2 H6 N2 O6 Pd S2 -","- Ag4 H12 N4 O12 Pd2 S4 -","2","0.5","AV1026","Solovyov, Leonid A.; Blokhin, Alexander I.; Mulagaleev, Ruslan F.; Kirik, Sergei D.","Ag~2~[Pd(NH~3~)~2~(SO~3~)~2~] powder","Acta Crystallographica Section C","1999","55","3","293","296","10.1107/S0108270198012724","","","1.5418","CuKα","","","","","","","","","","1.66","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008200","7.72","0.006","13.72","0.001","15.161","0.003","63.3","0.01","88.1","0.05","86.56","0.05","1432","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","","- C18 H38 N10 Ni2 S4 -","- C18 H38 N10 Ni2 S4 -","- C36 H76 N20 Ni4 S8 -","2","1","BK1416","Mukherjee, Alok K.; Nayak, Nirmalya P.; Mondal, Arunendu; Chaudhuri, Nirmalendu Ray","A dimeric form of the nickel(II) thiocyanate complex of bis(3-aminopropyl)methylamine","Acta Crystallographica Section C","1999","55","3","365","368","10.1107/S010827019801419X","","","0.71073","MoKα","","0.05","0.039","","0.099","0.095","","","","1.216","1.277","1.277","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008201","16.991","0.002","12.307","0.001","9.5","0.002","90","","107.5","0.02","90","","1894.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,10SR)-1,4,8,10- tetraazacyclotetradecane-κ^4^N]nickel(II) monohydrate","","- C10 H30 N4 Ni O9 P2 -","- C10 H28 N4 Ni O9 P2 -","- C40 H112 N16 Ni4 O36 P8 -","4","0.5","BK1417","Namouchi-Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Bis(dihydrogen phosphato-<i>O</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","3","345","347","10.1107/S0108270198014620","","","0.71069","MoKα","","0.0301","0.025","","0.067","0.0638","","","","1.077","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008202","12.932","0.002","11.273","0.002","14.921","0.003","90","","100.16","0.014","90","","2141.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ~2~-Hydrydo)-(μ~2~-N-methylcarboxamido-C,O)-trimethylamine)- nonacarbonyl- tri-osmium","","- C14 H14 N2 O10 Os3 -","- C14 H14 N2 O10 Os3 -","- C56 H56 N8 O40 Os12 -","4","1","BK1418","Andrés Vega; Evgenia Spodine; Alejandro Arce; Jorge Manzur; Ana María García; María Teresa Garland","Nonacarbonyl-μ~2~-hydrido-μ~2~-(<i>N</i>-methylcarboxamido)-<i>C</i>:<i>O</i>-(<i>N</i>-trimethylamine)triosmium(3 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1999","55","3","322","323","10.1107/S0108270198012839","","","0.71073","MoKα","","0.0659","0.0362","","0.0787","0.0671","","","","1.016","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008203","7.268","0.002","12.747","0.002","13.357","0.004","90","","90","","90","","1237.5","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-pyridyl)-5-phenylhydantoin","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","BK1423","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan","5-(4-Pyridyl)-5-phenylhydantoin","Acta Crystallographica Section C","1999","55","3","405","407","10.1107/S0108270198014528","","","0.71073","MoKα","","0.0338","0.0306","","0.0784","0.076","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008204","16.734","0.003","10.267","0.002","17.173","0.004","90","","110.34","0.02","90","","2766.5","1","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dioxo-di-μ-dioxo-bis(difluoroacetato)-bis-(2,2 -bipyridine)-dimolybdenum(V)","","- C24 H22 F4 Mo2 N4 O10 -","- C24 H22 F4 Mo2 N4 O10 -","- C96 H88 F16 Mo8 N16 O40 -","4","0.5","BK1424","Webb, Thomas R.; Talbott, E. Shane","Di-μ-oxo-bis[(2,2'-bipyridine)(difluoroacetato)oxomolybdenum(V)] dihydrate","Acta Crystallographica Section C","1999","55","3","370","372","10.1107/S0108270198014206","","","0.71073","MoKα","","0.03","0.024","","0.06","0.056","","","","1.12","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008205","11.688","0.002","12.561","0.004","3.945","0.001","90","","90","","90","","579.2","0.3","296","","","","","","","","","","","5","C m m m","-C 2 2","65","","μ-4,4'-bipyridylium di-μ-bromide-mercury(II)","","- C10 H8 Br2 Hg N2 -","- C10 H8 Br2 Hg N2 -","- C20 H16 Br4 Hg2 N4 -","2","0.125","BM1222","Pan, Long; Zheng, Nengwu; Wu, Yonggang; Yu, Shichun; Huang, Xiaoying","Poly[mercury(II)-μ-4,4'-bipyridine-di-μ-bromo]","Acta Crystallographica Section C","1999","55","3","343","345","10.1107/S0108270198006325","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.25","","","","has coordinates","198516","2020-10-21","18:00:00",""
"2008206","9.257","0.001","10.947","0.003","11.911","0.001","96.86","0.01","108.997","0.007","96.59","0.01","1117.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dihydrate","","- C24 H39 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","1","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.101","0.042","","0.147","0.108","","","","0.87","","","0.924","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008207","11.797","0.001","19.238","0.002","22.012","0.004","90","","98.57","0.01","90","","4939.9","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dimethanol-monohydrate","","- C26 H45 Hg2 I7 N8 O5 S2 -","- C26 H40 Hg2 I7 N8 O5 S2 -","- C104 H160 Hg8 I28 N32 O20 S8 -","4","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.105","0.053","","0.161","0.131","","","","0.998","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008208","7.4875","0.0006","14.4756","0.0014","12.1879","0.0012","90","","92.702","0.007","90","","1319.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridine benzoic acid","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.083","0.068","","0.103","0.091","","","","0.992","1","1","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008209","25.732","0.003","7.8359","0.0004","13.954","0.001","90","","90","","90","","2813.6","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trymethylpyridinium ortho-nitro-benzoate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.068","0.059","","0.077","0.07","","","","0.944","0.947","0.947","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008210","7.5078","0.0004","7.319","0.0004","27.632","0.008","90","","92.06","0.009","90","","1517.4","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridinium 3,5-dinitro-benzoate","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C60 H60 N12 O24 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.048","0.044","","0.054","0.052","","","","0.964","0.977","0.977","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008211","6.834","0.001","9.672","0.001","11.317","0.001","91.72","0.01","96.56","0.01","97.27","0.01","736.41","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1D1CC","4'-propen-1-ylbicyclohexyl-4-carbonitrile","","- C16 H25 N -","- C16 H25 N -","- C32 H50 N2 -","2","1","BM1266","Gupta, Sakuntala; Bhattacharyya, Kinkini; SenGupta, S.P.; Paul, Sukla; Alajos, Kalman; Laszlo, Parkanyi","A mesogenic alkenyl compound","Acta Crystallographica Section C","1999","55","3","403","405","10.1107/S0108270198013791","","","0.7107","MoKα","","0.0882","0.0445","","0.1511","0.1376","","","","1.03","1.307","1.307","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008212","11.8241","0.0005","11.8241","0.0005","19.8441","0.0011","90","","90","","120","","2402.7","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexa(dimethylsulfoxide-O)nickel(II) tetraiodide(2-)","","- C12 H36 I4 Ni O6 S6 -","- C12 H36 I4 Ni O6 S6 -","- C36 H108 I12 Ni3 O18 S18 -","3","0.166667","BM1277","De-Liang Long; Huai-Ming Hu; Jiu-Tong Chen; Jin-Shun Huang","[Ni{(CH~3~)~2~SO}~6~]I~4~, a redetermination and reinterpretation","Acta Crystallographica Section C","1999","55","3","339","341","10.1107/S0108270198013055","","","0.71073","MoKα","","0.024","0.019","","0.041","0.039","","","","1.131","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008213","7.3648","0.0005","8.1825","0.0006","32.657","0.002","90","","90","","90","","1968","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(dimethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2-naphtyl) acetyl]piperidine chloride","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.041","0.0375","","0.1208","","0.1208","","","1.136","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008214","7.2011","0.0008","7.63","0.0006","41.223","0.003","90","","90","","90","","2265","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(Methylethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2- naphthyl)acetyl]piperidine chloride dihydrate","","- C21 H35 Cl N2 O4 -","- C21 H35 Cl N2 O4 -","- C84 H140 Cl4 N8 O16 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.0819","0.05","","0.1302","","0.1302","","","1.062","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008215","12.2516","0.0008","13.2439","0.0009","10.1913","0.0007","90","","90.291","0.002","90","","1653.61","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-methyl-naphtho[2,3-c]acridine","","- C22 H21 N -","- C22 H21 N -","- C88 H84 N4 -","4","1","BM1281","Jayanta Kumar Ray; Manas Kumar Haldar; Susmita Gupta; Kandasamy Chinnakali; Hoong-Kun Fun","7,8,10,11,12,13-Hexahydro-4-methylnaphtho[2,3-<i>c</i>]acridine","Acta Crystallographica Section C","1999","55","3","397","399","10.1107/S0108270198013225","","","0.71073","MoKα","","0.163","0.074","","","","0.241","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008216","8.4793","0.0002","22.5318","0.001","9.7774","0.0003","90","","90","","90","","1868.01","0.11","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","Tris(2-aminobenzyl)amine","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.03","0.029","","0.031","0.03","","","","0.901","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008217","18.1459","0.0006","18.1459","0.0006","12.2532","0.0005","90","","90","","120","","3494.1","0.2","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","","- C40 H66 B F4 N4 O9 P3 -","- C40 H66 B F4 N4 O9 P3 -","- C120 H198 B3 F12 N12 O27 P9 -","3","0.333333","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.042","0.042","","0.048","0.048","","","","1.518","","","1.517","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2008218","12.9598","0.0016","53.6","0.003","8.2907","0.0012","90","","90","","90","","5759.1","1.1","293","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","","- C16 H11 Br N4 -","- C16 H11 Br N4 -","- C256 H176 Br16 N64 -","16","1","BM1286","Kumar, A.; Parmar, V. S.; Errington, W.","(<i>E</i>)-2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","Acta Crystallographica Section C","1999","55","3","456","457","10.1107/S0108270198013067","","","0.71073","MoKα","","0.0679","0.0457","","","","0.0986","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008219","17.882","0.005","6.8049","0.0009","11.712","0.006","90","","90","","90","","1425.2","0.9","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H13 Ca2 N O11 -","- C6 H13 Ca2 N O11 -","- C24 H52 Ca8 N4 O44 -","4","0.5","BM1288","Cooksey, Brian G.; Gibson, Lorraine T.; Kennedy, Alan R.; Littlejohn, David; Stewart, Lesley; Tennent, Norman H.","Dicalcium triacetate nitrate dihydrate","Acta Crystallographica Section C","1999","55","3","324","326","10.1107/S0108270198012864","","","0.71069","MoKα","","0.085","0.035","","","","0.106","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008220","7.733","0.002","6.295","0.002","34.222","0.005","90","","95.32","0.03","90","","1658.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(1'-N,N-dimethylaminophen-4'-yl)-3,4,4a,5,6,10,10a-heptahydroanthracen-2-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1311","0.0637","","0.1498","0.1177","","","","1.028","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008221","32.972","0.007","8.046","0.002","19.647","0.004","90","","122.371","0.015","90","","4402.2","1.8","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-dicyanomethylene-7-(2'-piperidinothien-5'-yl)-3,4,4a,5,6,10,10a- heptahydroanthracene","","- C26 H27 N3 S -","- C26 H27 N3 S -","- C208 H216 N24 S8 -","8","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1185","0.0632","","0.1452","0.1194","","","","1.026","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008222","8.2103","0.0001","25.6785","0.0006","11.6874","0.0002","90","","105.004","0.001","90","","2380.03","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2'R,6'R)-1-Methoxy-4-(2""-methylprop-2""-enyloxy)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","2","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.06","0.043","","","","0.11","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008223","6.793","0.0001","14.0076","0.0002","22.277","0.0001","90","","90","","90","","2119.74","0.04","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2'R,6'R)-4-Hydroxy-3-(2""methylprop-2""-enyloxo)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone.","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.044","0.034","","","","0.086","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008224","14.984","0.008","14.437","0.005","25.361","0.009","90","0.02","107.39","0.03","90","0.03","5235","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquanonaphenyltristiboxane diperchlorate","","- C54 H49 Cl2 O12 Sb3 -","- C54 H49 Cl2 O12 Sb3 -","- C216 H196 Cl8 O48 Sb12 -","4","0.5","BM1295","Baker, L-J; Rickard, Clifton E. F.; Taylor, Michael J.","Diaquanonaphenyltristiboxane diperchlorate","Acta Crystallographica Section C","1999","55","3","335","337","10.1107/S0108270198014632","","","0.71069","MoKα","","0.051","0.034","","","","0.098","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008225","10.2981","0.0008","10.8896","0.0009","12.1733","0.0007","90","","90","","90","","1365.14","0.17","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R)-(-)-2-(1,3-thiazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","BM1296","Fitzsimons, Lavelle M.; Gallagher, John F.","Intermolecular C—H···N and C—H···O interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","3","472","474","10.1107/S0108270198014103","","","0.7107","MolybdenumKα","","0.0434","0.0347","","","","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008226","10.422","0.005","10.422","0.005","7.467","0.003","90","","90","","120","","702.4","0.6","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","pentalead tris(vanadate) iodide","","","- I1.7 O24 Pb9.85 V6 -","- I1.704 O24 Pb9.844 V6 -","- I1.704 O24 Pb9.844 V6 -","1","0.0833333","BR1208","Fabienne Audubert; Jean-Michel Savariault; Jean-Louis Lacout","Pentalead tris(vanadate) iodide, a defect vanadinite-type compound","Acta Crystallographica Section C","1999","55","3","271","273","10.1107/S0108270198005034","","","0.71073","MoKα","","0.0526","0.0364","","","0.0783","0.0705","","","","","","0.834","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008227","15.181","0.009","5.0319","0.0008","20.76","0.004","90","","109.07","0.03","90","","1498.8","1","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","sodium vanadate","","- Na4.5 O17.5 V7 -","- Na4.5 O17.5 V7 -","- Na18 O70 V28 -","4","1","BR1224","Millet, Patrice; Henry, Jean-Yves; Galy, Jean","The vanadium oxide bronze η-Na~<i>x~</i>V~2~O~5~ (<i>x</i> = 1.286)","Acta Crystallographica Section C","1999","55","3","276","279","10.1107/S010827019801587X","","","0.71069","MoKα","","0.106","0.045","","0.127","0.112","","","","0.963","1.176","1.176","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008228","17.38","0.003","11.6","0.002","13.418","0.003","90","","110.92","0.03","90","","2526.9","1","292","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Co N7 O6 -","- C27 H21 Co N7 O6 -","- C108 H84 Co4 N28 O24 -","4","0.5","CF1249","Fu, You-Jun; Gao, Zhang-Shou; Yang, Hao; Dai, Wenning; Wang, Defen; Hu, Hongwen; Tang, Wenxia; Zhang, Zeying; Mak, Thomas C.W.","A monohelical cobalt(II) complex of a quinquepyridine ligand","Acta Crystallographica Section C","1999","55","3","349","351","10.1107/S0108270198013651","","","0.71073","MoKα","","","0.054","","","0.061","","","","","1.25","1.25","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2008229","7.7544","0.0002","31.6493","0.001","13.2174","0.0004","90","","93.004","0.001","90","","3239.37","0.16","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(saccharinato)aquabis(2,2'-bipyridene)manganese(II)saccharinate","","- C34 H26 Mn N6 O7 S2 -","- C34 H26 Mn N6 O7 S2 -","- C136 H104 Mn4 N24 O28 S8 -","4","1","CF1256","Dillon, Keith B.; Bilton, Clair; Howard, Judith A. K.; Hoy, Vanessa J.; Deng, Robert M. K.; Sethatho, David T.","The first manganese(II) compound with the saccharinate ligand present both in the complex cation and as the counter-ion: [Mn(bipy)~2~(sac)(H~2~O)]^+^^.^sac^{-^}","Acta Crystallographica Section C","1999","55","3","330","332","10.1107/S0108270198013663","","","0.71073","MoKα","","","0.048","","","0.079","0.105","","","","1.065","1.065","1.064","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008230","16.5433","0.0004","16.4583","0.0005","12.3847","0.0002","90.0107","0.0003","103.965","0.001","90.0089","0.0011","3272.37","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dicyano-4-thiodiphenylaminobenzene","","- C20 H11 N3 S -","- C20 H11 N3 S -","- C160 H88 N24 S8 -","8","2","CF1257","Sema Öztürk; Şamil Işık; Hoong-Kun Fun; Engin Kendi; Erbil Ag̃ar; Selami Şaşmaz; Abdul Razak İbrahim","4-(Phenothiazin-10-yl)benzene-1,2-dicarbonitrile","Acta Crystallographica Section C","1999","55","3","395","397","10.1107/S0108270198012347","","","0.71073","MoKα","","0.0515","0.036","","0.0949","0.0856","","","","1.034","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008231","8.735","0.002","9.093","0.002","15.64","0.003","82.94","0.03","85.85","0.02","81.76","0.02","1218.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)holmium(III) Tetrahydrate.","","- C16 H34 Ho N4 Na O13 -","- C16 H34 Ho N4 Na O13 -","- C32 H68 Ho2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.024","0.024","","0.061","0.061","","","","1.069","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008232","8.734","0.002","9.116","0.003","15.773","0.003","82.83","0.03","85.34","0.03","81.43","0.02","1229.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)europium(III) Tetrahydrate.","","- C16 H34 Eu N4 Na O13 -","- C16 H34 Eu N4 Na O13 -","- C32 H68 Eu2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.019","0.019","","0.052","0.051","","","","1.109","1.109","1.109","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008233","30.968","0.002","6.003","0.002","11.394","0.002","90","","107.26","0.01","90","","2022.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Z-Proψ[CO-N(NH2)]-Ala-NH^i^Pr","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","1","CF1278","Aubry, Andre; Del Duca, Valerio; Pedone, Carlo; Zerkout, Said; Marraud, Michel","Dipeptide (<i>Z</i>)-Pro-ψ[CO-N(NH~2~)]-Ala-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1999","55","3","439","441","10.1107/S0108270198013675","","","1.5418","CuKα","","0.0925","0.0543","","0.1588","0.1163","","","","0.971","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008234","9.3761","0.0006","9.4407","0.0005","10.7822","0.0006","71.424","0.003","87.87","0.01","67.852","0.003","834.18","0.09","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","trans-Diiodobis(triphenylphosphine)palladium(II)","","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","1","0.5","CF1284","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","<i>trans</i>-Diiodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","3","320","322","10.1107/S0108270198015868","","","0.71073","MoKα","","0.047","0.034","","","","0.094","","","","","","1.012","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008235","11.173","0.004","7.324","0.005","12.024","0.008","90","","97.82","0.04","90","","974.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Homolycorine Hydrochloride dihydrate","(1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one","","- C18 H26 Cl N O6 -","- C18 H24 Cl N O6 -","- C36 H48 Cl2 N2 O12 -","2","1","CF1288","Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia","Homolycorine hydrochloride dihydrate","Acta Crystallographica Section C","1999","55","3","385","387","10.1107/S0108270198014644","","","0.71069","MoKα","","0.0439","0.0329","","","","0.0568","","","","","","0.875","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008236","15.018","0.005","18.383","0.004","14.671","0.007","98.91","0.03","117.43","0.03","97.21","0.02","3461","2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","1-chloro-1-hydrido-2,6-di(2-hydroxyethoxy)-1,3,5-tris(triphenylphosphine)- iso-closo-1-ruthenadecaborane‒trichloromethane (1:1.2)","","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C118.4 H124.4 B18 Cl9.2 O8 P6 Ru2 -","2","1","DA1032","Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jing-De Wei; Ruo-Shui Jin; Zu-En Huang; Pei-Ju Zheng","A degraded glycol-substituted <i>iso</i>-<i>closo</i> ten-vertex ruthenaborane: [(PPh~3~)HClRuB~9~H~5~(OCH~2~CH~2~OH)~2~(PPh~3~)~2~]^.^1.2CHCl~3~","Acta Crystallographica Section C","1999","55","3","337","339","10.1107/S0108270198013237","","","0.71069","MoKα","","0.17","0.07","","","","0.242","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008237","9.027","0.001","11.095","0.003","7.275","0.002","106.23","0.02","108.02","0.02","78.09","0.02","659.5","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","1","0.5","DA1034","Okabe, Nobuo; Makino, Tomomi","<i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)cobalt(II)‒water‒ethanol (1/2/2)","Acta Crystallographica Section C","1999","55","3","300","302","10.1107/S0108270198013584","","","0.71069","MoKα","","","0.063","","","0.097","","","","","1.5","1.5","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2008238","10.735","0.002","13.31","0.002","5.205","0.001","90","","90","","90","","743.7","0.2","296","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Co N4 O6 -","- C12 H14 Co N4 O6 -","- C24 H28 Co2 N8 O12 -","2","0.5","DA1037","Okabe, Nobuo; Adachi, Yukari","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II)","Acta Crystallographica Section C","1999","55","3","302","304","10.1107/S0108270198013614","","","0.71069","MoKα","","","0.032","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008239","4.906","0.003","14.838","0.005","19.488","0.003","90","","90","","90","","1418.6","1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C52 H84 N12 O20 -","4","1","DA1046","Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J.","<i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1999","55","3","427","430","10.1107/S0108270198013249","","","0.7093","MoKα","","0.046","0.037","","","","0.09","","","","","","1.065","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008240","6.5429","0.0008","9.0345","0.0009","23.894","0.004","90","0.011","90","0.011","90","0.01","1412.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilin","3-Hydroxyestra-1,3,5(10),7-tetraen-17-one","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","DA1048","Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis","Equilin","Acta Crystallographica Section C","1999","55","3","425","427","10.1107/S0108270198013250","","","1.54178","CuKα","","0.052","0.05","","","","0.134","","","","","","1.071","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008241","10.115","0.003","10.757","0.004","30.986","0.004","90","","96.24","0.02","90","","3351.5","1.7","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cl8 Cu2 N2 O18 -","- C62 H50 Cl8 Cu2 N2 O18 -","- C124 H100 Cl16 Cu4 N4 O36 -","2","0.5","DA1053","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi","A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide","Acta Crystallographica Section C","1999","55","3","316","318","10.1107/S0108270198014899","","","0.71073","MoKα","","0.065","0.059","","","","0.062","","","","","","1.795","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008242","8.045","0.002","8.937","0.002","26.773","0.003","90","0.01","90","0.01","90","0.02","1924.9","0.7","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5'-(toluenesulfonyl)adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C68 H76 N20 O24 S4 -","4","1","DE1093","D. Prahadeeswaran; T. Parthasarathy Seshadri","5'-<i>O</i>-(Toluenesulfonyl)adenosine","Acta Crystallographica Section C","1999","55","3","389","391","10.1107/S0108270198013262","","","1.5418","CuKα","","0.055","0.039","","0.129","0.115","","","","1.032","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008243","4.851","0.002","13.535","0.003","14.013","0.005","90","","97.28","0.01","90","","912.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^4^Anisoylcytidine Dihydrate","","- C17 H23 N3 O9 -","- C17 H23 N3 O9 -","- C34 H46 N6 O18 -","2","1","DE1095","S. Kolappan; T. P. Seshadri","<i>N</i>^4^-Anisoylcytidine dihydrate","Acta Crystallographica Section C","1999","55","3","391","392","10.1107/S0108270198013274","","","1.5418","CuKα","","0.049","0.042","","0.132","0.117","","","","1.051","1.062","1.062","","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2008244","16.239","0.003","11.717","0.003","11.627","0.004","90","","93.69","0.02","90","","2207.7","1","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Troglitazone","5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","1","DE1099","K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy","Troglitazone, an euglycemic antidiabetic drug","Acta Crystallographica Section C","1999","55","3","411","413","10.1107/S010827019801467X","","","1.5418","CuKα","","0.092","0.062","","0.058","","0.056","","","1.828","","","2.039","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008245","29.501","0.002","8.5509","0.0014","7.963","0.003","90","","101.15","0.02","90","","1970.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(méta-anisidinium) Dihydrogénodiphosphate","","- C14 H22 N2 O9 P2 -","- C14 H22 N2 O9 P2 -","- C56 H88 N8 O36 P8 -","4","0.5","DU1178","Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Bis(<i>m</i>-anisidinium) dihydrogénodiphosphate","Acta Crystallographica Section C","1999","55","3","474","476","10.1107/S010827019801155X","","","0.71069","MoKα","","0.0899","0.0516","","0.1296","0.1107","","","","1.058","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008246","14.5297","0.0016","8.2314","0.0014","14.3684","0.0018","90","","90","","90","","1718.5","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl2 N2 Ni S2 -","- C14 H16 Cl2 N2 Ni S2 -","- C56 H64 Cl8 N8 Ni4 S8 -","4","0.5","FG1490","Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1999","55","3","318","320","10.1107/S010827019801422X","","","0.71073","MoKα","","0.0445","0.03","","","0.0641","0.0694","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008247","11.009","0.002","5.949","0.001","14.466","0.003","90","","105.66","0.01","90","","912.2","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1783","0.074","","0.2297","","0.163","","","1.029","","","1.026","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008248","9.991","0.001","10.098","0.001","10.576","0.001","90","","108.98","0.01","90","","1008.99","0.18","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1631","0.047","","0.1326","","0.104","","","0.97","","","0.97","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008249","6.9403","0.0005","9.948","0.0007","9.5931","0.0007","90","","90","","90","","662.33","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 O6 Pb -","- C4 H6 O6 Pb -","- C16 H24 O24 Pb4 -","4","0.5","FG1511","Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen","Lead(II) oxydiacetate hydrate","Acta Crystallographica Section C","1999","55","3","356","358","10.1107/S0108270198014115","","","0.71073","MoKα","","0.061","0.044","","0.129","","0.112","","","1.158","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2008250","10.458","0.002","7.619","0.002","13.28","0.002","90","","91.94","0.01","90","","1057.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxo-5α-cholan-24-oic Acid","(+)-3-Oxo-5α-cholan-24-oic Acid","","- C24 H38 O3 -","- C24 H38 O3 -","- C48 H76 O6 -","2","1","FG1512","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","3","419","422","10.1107/S0108270198012931","","","0.71073","MoKα","","0.069","0.046","","0.122","0.101","","","","1.07","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008251","11.401","0.001","14.698","0.002","5.0903","0.0006","90","","94.53","0.009","90","","850.33","0.17","293","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxyethyl-2,2'-biimidazole","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C32 H40 N16 O4 -","4","1","FG1514","Lin, Geng; Collier, Harvest; Baughman, Russell G.","1-Hydroxyethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","3","476","478","10.1107/S0108270198017387","","","0.71073","MoKα","","0.063","0.04","","0.113","0.095","","","","1.012","1.075","1.075","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008252","7.579","0.002","17.55","0.002","11.111","0.005","90","","90","","90","","1477.9","0.8","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C32 H80 N24 Ni4 S8 -","4","0.5","FR1148","Moore, Stephanie L.; Philip J. Squattrito","Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","3","332","334","10.1107/S0108270198013419","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","2.12","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008253","8.817","0.002","9.872","0.002","13.672","0.003","90","","90","","90","","1190","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Idazoxan hydrobromide","2-(1,4-benzodioxan-2-yl)imidazolinium bromide","","- C11 H13 Br N2 O2 -","- C11 H13 Br N2 O2 -","- C44 H52 Br4 N8 O8 -","4","1","FR1149","Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude","Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","1999","55","3","441","443","10.1107/S0108270198013286","","","0.71073","MoKα","","0.08","0.036","","","","0.089","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008254","9.871","0.002","11.044","0.002","13.117","0.003","87.403","0.008","89.625","0.004","67.3872","0.0011","1318.6","0.5","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","2","FR1159","John S. Davidson; Steven J. Rettig; James Trotter","Fromm's methylphenyldithiodimethylketuret","Acta Crystallographica Section C","1999","55","3","434","436","10.1107/S0108270198013432","","","0.71069","MoKα","","0.1182","0.04","","0.0768","0.077","","","","1.02","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008255","12.8953","0.0017","10.0927","0.0011","14.413","0.002","90","","106.638","0.012","90","","1797.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","paroxetine hydrochloride hemihydrate","","","- C19 H22 Cl F N O3.5 -","- C19 H22 Cl F N O3.5 -","- C76 H88 Cl4 F4 N4 O14 -","4","2","","Ibers, James A.","Paroxetine hydrochloride hemihydrate","Acta Crystallographica Section C","1999","55","3","432","434","10.1107/S0108270198013444","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2008256","8.7931","0.0005","9.2891","0.0004","13.2423","0.0009","89.657","0.004","73.646","0.007","82.804","0.005","1029.21","0.11","291","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F6 Na O7 -","- C15 H21 F6 Na O7 -","- C30 H42 F12 Na2 O14 -","2","1","GD1004","Farrugia, Louis J.; Watson, Ian M.","(1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato-<i>O</i>,<i>O</i>')(1,4,7,10,13-pentaoxapentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1999","55","3","326","328","10.1107/S0108270198013031","","","0.71073","MoKα","","","0.055","","","","0.175","","","","","","1.045","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008257","20.43","0.004","5.591","0.004","5.288","0.0006","90","","93.26","0.01","90","","603","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nitrate d'Argent et de Césium: AgCs(NO~3~)~2~","","- Ag Cs N2 O6 -","- Ag Cs N2 O6 -","- Ag4 Cs4 N8 O24 -","4","0.5","GS1014","Ben Amor, Fatma; Hellali, Dalila; Zamali, Hmida","Nitrate d'argent et de césium: AgCs(NO~3~)~2~","Acta Crystallographica Section C","1999","55","3","281","282","10.1107/S0108270198013304","","","0.71069","MoKα","","0.045","0.043","","0.129","0.128","","","","1.265","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008258","10.9742","0.0007","14.467","0.001","6.731","0.001","90","","104.28","0.01","90","","1035.62","0.19","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nickel potassium arsenate.","","- As6 K4 Ni7 O24 -","- As6 K4 Ni7 O24 -","- As12 K8 Ni14 O48 -","2","0.25","GS1015","Ben Smail, Ridha; Driss, Ahmed; Jouini, Tahar","K~4~Ni~7~(AsO~4~)~6~","Acta Crystallographica Section C","1999","55","3","284","286","10.1107/S0108270198012293","","","0.71069","MoKα","","0.0379","0.0339","","0.0812","0.0798","","","","1.264","1.306","1.306","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008259","11.992","0.003","15.932","0.002","7.222","0.002","90","","90","","90","","1379.8","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","Strontium vanadium monophosphate","","","- O10 P2 Sr V2 -","- O10 P2 Sr V2 -","- O80 P16 Sr8 V16 -","8","0.5","GS1016","Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard","A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","3","288","291","10.1107/S0108270198012372","","","0.71073","Mo_Kα","","0.042","0.042","","0.041","0.041","","","","2.454","2.454","2.454","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008260","25.867","0.002","17.085","0.002","20.363","0.003","90","","106.328","0.002","90","","8636.2","1.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 N3 O9 -","- C51 H53 N3 O9 -","- C408 H424 N24 O72 -","8","2","GS1018","Thuéry, Pierre; Nierlich, Martine; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","A 2,2'-azobenzene-substituted calix[4]arene-crown-6","Acta Crystallographica Section C","1999","55","3","443","445","10.1107/S0108270198013882","","","0.71073","MoKα","","","0.0591","","0.1638","0.1015","","","","0.822","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008261","7.7385","0.0012","12.199","0.003","20.667","0.002","90","","99.735","0.018","90","","1922.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[3,2-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C64 H88 N24 O16 S8 -","8","2","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0852","0.0453","","","","0.1317","","","","","","0.943","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008262","8.1628","0.0004","11.6259","0.0008","10.2405","0.0011","90","","97.841","0.007","90","","962.74","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C32 H44 N12 O8 S4 -","4","1","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0463","0.0382","","","","0.1064","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008263","10.313","0.004","11.871","0.002","12.713","0.002","90","","90","","90","","1556.4","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(S)-7-methoxy-2-(3-(R)-4,5-dihydro-4,4-dimethyl-3H-2-oxo-3-oxicarbonyl)- 2,3-dihydro-1,4-benzodioxin","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","GS1024","Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet","(3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate","Acta Crystallographica Section C","1999","55","3","387","389","10.1107/S0108270198013900","","","0.71069","MoKα","","0.0631","0.0536","","","","0.152","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008264","14.618","0.003","9.323","0.002","25.766","0.005","90","","99.31","0.03","90","","3465.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetato-O,O')-(acetato-O)-(2,9-dimethyl-1,10-phenanthroline) zinc(ii)","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C144 H144 N16 O32 Zn8 -","8","1","HA1237","Harvey, Miguel; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro W.","(Acetato-<i>O</i>,<i>O</i>')(acetato-<i>O</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","1999","55","3","308","310","10.1107/S0108270198013481","","","0.71073","MoKα","","0.083","0.037","","","","0.121","","","","","","1.015","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008265","9.034","0.002","10.155","0.001","12.368","0.002","110.35","0.01","89.9","0.02","103.02","0.01","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","HA1241","Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak","6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section C","1999","55","3","407","410","10.1107/S0108270198013912","","","1.5418","CuKα","","0.0574","0.0499","","0.1316","0.1248","","","","1.053","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008266","4.5686","0.0001","15.7687","0.0002","20.1621","0.0004","90","","90","","90","","1452.5","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Aminopyrimidine and p-phenylenediacetic acid","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","0.5","HA1242","Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam","2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal","Acta Crystallographica Section C","1999","55","3","399","401","10.1107/S0108270198013626","","","0.71073","MoKα","","0.116","0.059","","","","0.161","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008267","12.225","0.002","13.29","0.003","12.387","0.003","90","","90","","90","","2012.5","0.7","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trimethylphosphonium trichlorogermanate(II)","Trimethylphosphonium trichlorogermanate(II)","","- C3 H10 Cl3 Ge P -","- C3 H10 Cl3 Ge P -","- C24 H80 Cl24 Ge8 P8 -","8","1","JZ1290","Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou","Trimethylphosphonium trichlorogermanate(II)","Acta Crystallographica Section C","1999","55","3","351","353","10.1107/S010827019801169X","","","0.71073","MoKα","","0.0365","0.0307","","","","0.0845","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008268","9.674","0.002","8.482","0.002","17.446","0.004","90","","104.81","0.02","90","","1384","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3,7-diethyl-3,7-diazanonane-1,9-dithiolato-S,N,N'S')nickel(II)","","- C11 H24 N2 Ni S2 -","- C11 H24 N2 Ni S2 -","- C44 H96 N8 Ni4 S8 -","4","1","JZ1315","Jörg Schneider; Ralf Hauptmann; Frank Osterloh; Gerald Henkel","(3,7-Diethyl-3,7-diazanonane-1,9-dithiolato-<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>')nickel(II)","Acta Crystallographica Section C","1999","55","3","328","330","10.1107/S0108270198012578","","","0.71073","MoKα","","","0.024","","","","0.058","","","","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008269","9.304","0.002","10.9792","0.0013","13.685","0.003","107.896","0.01","107.812","0.014","96.383","0.011","1233.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(triphenylphosphine)-1κP,2κP-dicopper(I) Di(triphenylphosphine) Diquinoline Bis(μ-Iodine) Dicopper","","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","1","0.5","JZ1317","Jin, Qiong-Hua; Wang, Yu-Xian; Xin, Xiu-Lan","Di-μ-iodo-1:2κ^4^<i>I</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1999","55","3","341","343","10.1107/S010827019801333X","","","0.71073","MoKα","","","0.029","","","","0.065","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008270","8.8005","0.0003","11.1","0.0005","11.628","0.0005","89.746","0.002","69.678","0.003","75.414","0.003","1026.53","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Gd N6 O12 -","- C15 H17 Gd N6 O12 -","- C30 H34 Gd2 N12 O24 -","2","1","JZ1321","Leverd, Pascal C.; Charbonnel, Marie-Christine; Dognon, Jean-Pierre; Lance, Monique; Nierlich, Martine","Triaquabis(nitrato-<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)gadolinium(III) nitrate","Acta Crystallographica Section C","1999","55","3","368","370","10.1107/S0108270198013316","","","0.71073","MoKα","","0.033","0.027","","0.07","0.062","","","","0.963","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008271","13.59","0.002","6.581","0.0011","9.9321","0.0014","90","","90","","90","","888.3","0.2","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Guanine dihydrochloride","","- C5 H7 Cl2 N5 O -","- C5 H7 Cl2 N5 O -","- C20 H28 Cl8 N20 O4 -","4","0.5","JZ1324","Matković-Čalogović, Dubravka; Sanković, Krešimir","Guaninium dichloride","Acta Crystallographica Section C","1999","55","3","467","469","10.1107/S0108270198014607","","","0.71073","MoKα","","0.098","0.039","","","","0.108","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008272","11.687","0.002","7.576","0.001","24.153","0.003","90","","95.91","0.01","90","","2127.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1-(4-methylphenylazo)-2-oxo-2-phenylethyl)-(4-acetanilide) sulfone","","- C23 H21 N3 O4 S -","- C23 H21 N3 O4 S -","- C92 H84 N12 O16 S4 -","4","1","KA1293","Wojciech M. Wolf","X-ray investigations of sulfur-containing fungicides. I. 4'-{[Benzoyl(4-tolylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","1999","55","3","469","472","10.1107/S0108270198013559","","","0.71073","MoKα","","0.0598","0.0417","","","","0.1711","","","","","","1.02","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008273","9.7172","0.0006","10.2638","0.0005","10.5991","0.0004","89.996","0.004","102.938","0.004","110.121","0.004","963.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","calcium hydronium decavanadate hexadecahydrate","","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","1","0.5","KA1295","Strukan, Neven; Cindrić, Marina; Kamenar, Boris","Ca~2~(H~3~ O)~2~[V~10~O~28~]^.^16H~2~O","Acta Crystallographica Section C","1999","55","3","291","293","10.1107/S0108270198013468","","","0.7107","MoKα","","0.048","0.03","","","","0.081","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008274","8.001","0.001","15.639","0.001","16.405","0.001","90","","94.15","0.01","90","","2047.3","0.3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","KA1300","Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen","5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene","Acta Crystallographica Section C","1999","55","3","381","383","10.1107/S0108270198013687","","","0.71073","MoKα","","","0.064","","","0.06","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008275","7.894","0.001","13.892","0.001","9.556","0.001","90","","103.28","0.02","90","","1019.9","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N3 O2 -","- C12 H7 N3 O2 -","- C48 H28 N12 O8 -","4","1","KA1302","Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami","1-Nitrobenzo[<i>c</i>]cinnoline","Acta Crystallographica Section C","1999","55","3","383","385","10.1107/S0108270198013560","","","0.71073","MoKα","","","0.048","","","0.06","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008276","6.1818","0.001","13.008","0.003","13.605","0.009","105","0.03","92.46","0.03","101.74","0.02","1029.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","1","0.5","LN1059","Leroy, Jacques; Bondon, Arnaud; Toupet, Loic","2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","1999","55","3","464","466","10.1107/S0108270198014000","","","0.71073","MoKα","","0.083","0.0421","","","","0.1267","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2008277","9.3138","0.0008","10.1641","0.0008","18.0633","0.0015","90","","90","","90","","1710","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cr O3 -","- C18 H22 Cr O3 -","- C72 H88 Cr4 O12 -","4","1","","Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós","(η^6^-Arylhimachalene)tricarbonylchromium(0)","Acta Crystallographica Section C","1999","55","","361","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008278","17.46","0.004","14.33","0.003","10.25","0.002","90","","96.73","0.03","90","","2546.9","0.9","223","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Hexacesium-hexatellurodistannate(III)","Hexacesium-hexatellurodistannate(III)","","- Cs6 Sn2 Te6 -","- Cs6 Sn2 Te6 -","- Cs24 Sn8 Te24 -","4","0.5","LN1072","Friede, Bernd; Jansen, Martin","Cs~6~Sn~2~Te~6~, a new telluridodistannate(III)","Acta Crystallographica Section C","1999","55","3","282","284","10.1107/S0108270198014681","","","0.71073","MoKα","","0.0345","0.0265","","","","0.0613","","","","","","1.199","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008279","6.039","0.002","9.587","0.003","12.598","0.006","80.32","0.03","77.51","0.02","89.48","0.03","701.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-cyclohexyl-5-cyclohexylamine-tetrazole","","- C13 H23 N5 -","- C13 H23 N5 -","- C26 H46 N10 -","2","1","NA1380","Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun","1-Cyclohexyl-5-cyclohexylaminotetrazole","Acta Crystallographica Section C","1999","55","3","393","395","10.1107/S0108270198012888","","","0.71073","MoKα","","0.0693","0.0547","","0.1557","0.1447","","","","1.021","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008280","10.19","0.009","19.104","0.009","12.808","0.009","90","","110.67","0.06","90","","2333","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C108 H96 S4 Sn4 -","4","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.048","0.044","","0.098","0.094","","","","1.16","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008281","9.5512","0.0008","11.0433","0.0008","12.3793","0.001","83.38","0.008","81.737","0.008","67.018","0.007","1187.1","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C54 H48 S2 Sn2 -","2","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.077","0.051","","0.189","0.132","","","","1.239","1.008","1.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008282","8.3987","0.0015","6.89","0.004","17.8585","0.0015","90","","90.868","0.011","90","","1033.3","0.6","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C56 H32 N4 O8 -","2","0.5","OA1075","Okuyama, Kenji; Rozhanskii, Igor; Goto, Kohei","Bilayered structure of <i>N</i>,<i>N</i>'-diphenyl-4,4'-biphthalimide","Acta Crystallographica Section C","1999","55","3","424","425","10.1107/S0108270198013080","","","0.7107","MoKα","","","0.0487","","","0.0668","","","","","1.145","1.145","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008283","5.4508","0.0012","10.2229","0.0012","8.883","0.0017","90","","91.5","0.02","90","","494.82","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indium phosphate dihydrate","Indium phosphate dihydrate","","- H4 In O6 P -","- H4 In O6 P -","- H16 In4 O24 P4 -","4","1","OH1113","Sugiyama, Kazumasa; Yu, Jihong; Hiraga, Kenji; Terasaki, Osamu","Monoclinic InPO~4~^.^2H~2~O","Acta Crystallographica Section C","1999","55","3","279","281","10.1107/S010827019801292X","","","0.71069","MoKα","","0.04","0.028","","","","0.068","","","","","","1.071","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2008284","7.118","0.001","20.894","0.001","7.768","0.002","90","","92.2","0.03","90","","1154.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C52 H60 N12 -","4","1","OS1029","S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan","2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile","Acta Crystallographica Section C","1999","55","3","401","403","10.1107/S0108270198009627","","","1.5418","CuKα","","0.0629","0.059","","0.1881","0.172","","","","0.994","1.013","1.013","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008285","5.776","0.008","12.599","0.005","15.288","0.005","90","","90","","90","","1112.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","QA0083","Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus","A substituted isoindolin-1-one derived from (<i>R</i>)-(‒)-2-amino-1-butanol","Acta Crystallographica Section C","1999","55","3","IUC9900019","","10.1107/S0108270199099758","","","0.71073","MoKα","","0.056","0.04","","0.135","0.092","","","","1","1.018","1.018","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008286","17.836","0.004","9.805","0.002","5.813","0.001","90","","90","","90","","1016.6","0.4","103","2","103","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","2,2,5,5-tetramethyl-hex-3-yne","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","0.5","QA0089","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,5,5-Tetramethylhex-3-yne at 281K","Acta Crystallographica Section C","1999","55","3","IUC9900016","","10.1107/S0108270199099746","","","0.71073","MoKα","","0.063","0.05","","","","0.145","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008287","7.5623","0.0002","19.8757","0.0006","21.2828","0.0006","90","","90","","90","","3198.93","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate","","- C15 H17 Cl N2 O2 S -","- C15 H17 Cl N2 O2 S -","- C120 H136 Cl8 N16 O16 S8 -","8","1","QA0090","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","1999","55","3","IUC9900017","","10.1107/S0108270199099734","","","0.71073","MoKα","","0.071","0.06","","","","0.15","","","","","","1.211","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008288","11.078","0.001","11.078","0.001","16.231","0.001","90","","90","","90","","1991.9","0.3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","QA0093","El-Bali, Brahim; Bolte, Michael","Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K","Acta Crystallographica Section C","1999","55","3","IUC9900015","","10.1107/S0108270199099771","","","0.71073","MoKα","","0.025","0.02","","","","0.056","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008289","9.789","0.007","12.754","0.003","24.586","0.009","90","","90","","90","","3070","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C14-oxygenated taxoid","Taxa-4(20),11-diene-2α,5α,10β,14β-tetrayl 2α,5α,10β-triacetate 14β-(2-methylbutyrate)","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","QA0094","Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R.","A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i>","Acta Crystallographica Section C","1999","55","3","IUC9900014","","10.1107/S0108270199099722","","","0.71073","MoKα","","0.1324","0.0665","","0.2701","0.1886","","","","0.731","0.805","0.805","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008290","19.263","0.002","11.285","0.002","30.361","0.005","90","","104.96","0.01","90","","6376.3","1.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-oxobis[(trimethylphosphine-P)(trimethylphosphine oxide-O)dichloro- oxomolybdenum(V)] diethylether semisolvate","","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C112 H328 Cl32 Mo16 O44 P32 -","8","2","QB0081","Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago","μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate","Acta Crystallographica Section C","1999","55","3","IUC9900018","","10.1107/S010827019909976X","","","0.71073","MoKα","","0.093","0.062","","0.147","0.117","","","","1.203","1.137","1.137","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008291","9.83","0.003","23.121","0.002","15.701","0.001","90","","105.95","0.01","90","","3431.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro{rac,trans-[1-(chloro{piperidin-1-yl})phosphino-2-bis(piperidin-1-yl)- phosphino]cyclopentane}neopentylplatinum(II) Acetone Solvate","","- C28 H55 Cl2 N3 O P2 Pt -","- C28 H55 Cl2 N3 O P2 Pt -","- C112 H220 Cl8 N12 O4 P8 Pt4 -","4","1","SK1171","Dahlenburg, Lutz; Mertel, Stefan","Chiral bisphosphanes. V. Chloro{<i>rac</i>,<i>trans</i>-1-[chloro(piperidin-1-yl)phosphino]-2-[bis(piperidin-1-yl)phosphino]cyclopentane-<i>P</i>,<i>P</i>'}neopentylplatinum(II) acetone solvate","Acta Crystallographica Section C","1999","55","3","347","349","10.1107/S010827019801498X","","","0.7107","MoKα","","","0.061","","0.103","","0.1","","","1.041","","","1.015","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008292","14.91","0.002","10.299","0.001","15.184","0.001","90","0.01","92.93","0.01","90","0.01","2328.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-ethoxycarbonylmethyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a] quinolizin-5-ium trifluoromethanesulfonate","","- C22 H27 F3 N2 O5 S -","- C22 H27 F3 N2 O5 S -","- C88 H108 F12 N8 O20 S4 -","4","1","SK1208","Bombicz, Petra; Kálmán, Alajos","Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","3","454","455","10.1107/S0108270198013936","","","1.54178","CuKα","","0.0635","0.0505","","0.1609","","0.1543","","","1.083","","","1.116","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008293","7.862","0.0008","19.526","0.002","10.469","0.001","90","0.009","105.15","0.01","90","0.009","1551.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N N'-bis(2-methoxyethyl)pyromellitimide","2,6-bis(3oxabutyl)pyrrolo[3,4f]isoindole-1,3,5,7 tetraone","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","1","SK1219","Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand","<i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide","Acta Crystallographica Section C","1999","55","3","445","446","10.1107/S0108270198013997","","","0.71073","MoKα","","0.072","0.044","","0.04","0.036","","","","1.345","","","1.526","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008294","14.465","0.001","8.3997","0.0004","9.4614","0.0004","90","","97.74","0.01","90","","1139.1","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dicesium trimolybdate","","- Cs2 Mo3 O10 -","- Cs2 Mo3 O10 -","- Cs8 Mo12 O40 -","4","0.5","SK1225","Enjalbert, Renée; Guinneton, Frédéric; Galy, Jean","Cs~2~Mo~3~O~10~","Acta Crystallographica Section C","1999","55","3","273","276","10.1107/S0108270198012979","","","0.71069","MoKα","","0.042","0.028","","0.079","0.075","","","","1.079","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008295","10.3121","0.0004","11.3409","0.0007","12.7787","0.0008","113.224","0.005","101.056","0.004","102.401","0.004","1276.1","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylammonium) bis(oxalatotriphenylstannate)","","- C26 H31 N O4 Sn -","- C26 H31 N O4 Sn -","- C52 H62 N2 O8 Sn2 -","2","1","SK1232","Ng, Seik Weng; Hook, James M.","Diisopropylammonium oxalatotriphenylstannate","Acta Crystallographica Section C","1999","55","3","310","312","10.1107/S0108270198011858","","","0.71073","MoKα","","0.0377","0.0275","","","","0.0656","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008296","9.6433","0.0006","21.545","0.002","25.366","0.002","101.73","0.006","93.312","0.005","96.534","0.006","5108.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquatriphenyl-μ-(N,N-3-oxapentamethylenethiocarbamoylthioacetato)tin- triphenyl(N,N-3-oxapentametheylenethiocarbamoylthioacetato)tin","","- C50 H52 N2 O7 S4 Sn2 -","- C50 H52 N2 O7 S4 Sn2 -","- C200 H208 N8 O28 S16 Sn8 -","4","2","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.084","0.048","","","","0.116","","","","","","0.994","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008297","20.771","0.001","9.1734","0.0006","22.756","0.002","90","","90","","90","","4335.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)","","- C19 H34 N2 O3 S2 -","- C19 H34 N2 O3 S2 -","- C152 H272 N16 O24 S16 -","8","1","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.107","0.052","","","","0.131","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2008298","7.506","0.001","29.143","0.002","9.832","0.001","90","","99.04","0.01","90","","2124","0.4","130","","130","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H16 N2 O8 -","- C24 H16 N2 O8 -","- C96 H64 N8 O32 -","4","1","SK1240","Meetsma, Auke; Keller, Erik; Feringa, Ben L.","(±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate","Acta Crystallographica Section C","1999","55","3","450","452","10.1107/S0108270198013109","","","0.71073","MoKα","","0.0371","0.0321","","","","0.0825","","","","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008299","10.8952","0.0017","9.9647","0.001","16.288","0.004","90","","93.982","0.012","90","","1764.1","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol‒4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","SK1245","Lavender, Emma S.; Ferguson, George; Glidewell, Christopher","Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol‒4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","3","430","432","10.1107/S0108270198012980","","","0.71073","MolybdenumKα","","0.1111","0.0377","","","","0.1039","","","","","","0.905","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008300","4.0188","0.0003","4.0188","0.0003","9.72","0.001","90","","90","","90","","156.99","0.02","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","Potassium tetracopper triselenide","","","- Cu4 K Se3 -","- Cu4 K Se3 -","- Cu4 K Se3 -","1","0.0625","SK1247","Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","KCu~4~Se~3~","Acta Crystallographica Section C","1999","55","3","286","288","10.1107/S0108270198014358","","","0.71073","MoKα","","0.028","0.024","","0.062","0.06","","","","1.17","1.186","1.186","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008301","7.716","0.002","8.597","0.002","12.54","0.003","80.19","0.03","74.83","0.03","81.74","0.03","786.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","1","0.5","SK1249","Jan Janczak; Mariola Razik; Ryszard Kubiak","Diiodo[phthalocyaninato(2‒)]germanium(IV) diiodine","Acta Crystallographica Section C","1999","55","3","359","361","10.1107/S0108270198015716","","","0.71073","MoKα","","0.091","0.037","","","","0.077","","","","","","0.925","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008302","7.941","0.003","17.481","0.002","14.511","0.003","90","","90","","90","","2014.4","0.9","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","SK1253","Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel","(3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate","Acta Crystallographica Section C","1999","55","3","452","454","10.1107/S0108270198014371","","","0.71073","MoKα","","0.054","0.039","","","","0.084","","","","","","0.837","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008303","36.925","0.004","36.925","0.004","8.256","0.002","90","","90","","120","","9749","3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","hexanoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C19 H23 Cl N2 O7 S -","- C19 H23 Cl N2 O7 S -","- C342 H414 Cl18 N36 O126 S18 -","18","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.71069","MoKα","","0.1034","0.0561","","","","0.1994","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008304","7.836","0.002","17.605","0.01","15.4951","0.0018","90","","94.026","0.016","90","","2132.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","benzoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C20 H17 Cl N2 O7 S -","- C20 H17 Cl N2 O7 S -","- C80 H68 Cl4 N8 O28 S4 -","4","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.7107","MoKα","","0.0931","0.0633","","","","0.2155","","","","","","1.041","","","","has coordinates","255755","2020-10-21","18:00:00",""
"2008305","16.517","0.003","23.533","0.005","5.1124","0.0006","90","","90","","90","","1987.2","0.6","293","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d[gamma]afg","Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH","","- C18 H24 N4 O7 -","- C18 H24 N4 O7 -","- C72 H96 N16 O28 -","4","1","SX1074","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke","A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH","Acta Crystallographica Section C","1999","55","3","422","424","10.1107/S0108270198012141","","","1.5418","CuKα","","0.061","0.045","","","","0.143","","","","","","1.134","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008306","9.8951","0.0004","16.243","0.0007","25.0787","0.001","90","","90.444","0.001","90","","4030.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo)","","- C34 H46 I Mo2 N O6 S2 -","- C34 H46 I Mo2 N O6 S2 -","- C136 H184 I4 Mo8 N4 O24 S8 -","4","1","TA1215","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","297","298","10.1107/S0108270198012025","","","0.71073","MoKα","","0.09","0.051","","0.089","0.078","","","","1.054","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008307","14.4791","0.0002","12.9825","0.0002","24.4658","0.0003","90","","104.79","0.001","90","","4446.58","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrabutylammonium bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-pivalate-O:O'-dimolybdenum(Mo—Mo)","","- C39 H55 Mo2 N O8 S2 -","- C39 H55 Mo2 N O8 S2 -","- C156 H220 Mo8 N4 O32 S8 -","4","1","TA1216","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A dimolybdenum(I) carbonyl compound with thiolate and carboxylate bridges: tetrabutylammonium bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-pivalate-<i>O</i>:<i>O</i>'-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","298","300","10.1107/S0108270198012037","","","0.71073","MoKα","","0.082","0.052","","0.135","0.117","","","","1.011","1.044","1.044","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008308","12.355","0.003","11.645","0.003","12.75","0.003","90","","117.407","0.016","90","","1628.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N~1~,N~4~-Diformyl-t-5-methyl-r-2,t-3-diphenylpiperazine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","VJ1091","Laavanya. P; Panchanatheswaran. K; Murugadoss. R; Jeyaraman. R","1,4-Diformyl-<i>t</i>-5-methyl-<i>r</i>-2,<i>t</i>-3-diphenylpiperazine-1,4-dicarbaldehyde","Acta Crystallographica Section C","1999","55","3","410","411","10.1107/S0108270198011779","","","1.5418","CuKα","","0.0748","0.0627","","","","0.2266","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008309","6.698","0.001","7.171","0.001","30.604","0.005","90","","90","","90","","1470","0.4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","BK1392","Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A.","(+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","Acta Crystallographica Section C","1999","55","4","614","615","10.1107/S0108270198012827","","","0.71073","MoKα","","","0.0438","","","0.0897","","","","","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008310","13.657","0.001","14.464","0.001","11.014","0.001","90","","112.104","0.003","90","","2015.7","0.3","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-N,N-dimethylamino-6-hydroxy-1,4-naphthoquinone","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","BK1411","Doriguetto, Antônio C.; Santos, Cátia A.; Raslan, Délio S.; Fernandes, Nelson G.","2-(<i>N</i>,<i>N</i>-Dimethylamino)-6-hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1999","55","4","639","642","10.1107/S0108270198013213","","","0.71073","MoKα","","0.0949","0.054","","0.1534","","0.0958","","","0.919","1.016","1.016","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008311","22.997","0.005","8.069","0.002","20.001","0.004","90","","125","0.03","90","","3040.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloro-2,4-dimorpholino-5-nitrobenzene","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C112 H144 Cl8 N24 O32 -","8","1","BK1415","Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C.","1-Chloro-2,4-dimorpholino-5-nitrobenzene","Acta Crystallographica Section C","1999","55","4","654","656","10.1107/S0108270198014516","","","0.71073","MoKα","","0.066","0.042","","","","0.124","","","","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008312","10.009","0.0013","15.472","0.002","16.216","0.002","90","","90","","90","","2511.2","0.6","160","3","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Diethylaminomethyl)phenol Nitrate","diethyl(2-hydroxybenzyl)ammonium nitrate","","- C11 H18 N2 O4 -","- C11 H18 N2 O4 -","- C88 H144 N16 O32 -","8","1","BK1426","Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.","Nitrate salt of protonated 2-(diethylaminomethyl)phenol","Acta Crystallographica Section C","1999","55","4","681","683","10.1107/S0108270198014218","","","0.71073","MoKα","","0.06","0.039","","0.087","","0.082","","","1.042","","","1.209","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008313","13.855","0.004","21.573","0.006","13.163","0.004","90","","90","","90","","3934","2","295","2","295","2","","","","","","","","6","C c c 2","C 2 -2c","37","","μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N^3^))-oxo-rhenium(V)]tetrachloride hexahydrate, [{ReO(C~6~H~4~N~2~)~2~}~2~O]Cl~4~^.^6H~2~O.","","- C24 H36 Cl4 N16 O9 Re2 -","- C24 H24 Cl4 N16 O9 Re2 -","- C96 H96 Cl16 N64 O36 Re8 -","4","0.5","BK1428","Bélanger, Suzanne; Beauchamp, André L.","μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate","Acta Crystallographica Section C","1999","55","4","517","521","10.1107/S010827019801511X","","","1.54056","CuKα","","0.051","0.03","","0.086","0.075","","","","0.6","0.68","0.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008314","7.5766","0.0006","9.6207","0.0007","11.2537","0.0009","89.227","0.001","85.764","0.001","82.531","0.001","811.12","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione","","- C21 H16 O6 -","- C21 H16 O6 -","- C42 H32 O12 -","2","1","BK1433","Ilia A. Guzei; Alex Melekhov; George A. Kraus","A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione","Acta Crystallographica Section C","1999","55","4","620","622","10.1107/S0108270198012840","","","0.71073","MoKα","","0.063","0.053","","","","0.163","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008315","8.8166","0.0006","9.9326","0.0006","9.9764","0.0006","76.875","0.002","76.582","0.001","74.331","0.001","805.52","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C40 H38 N2 O6 -","2","1","BK1435","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime","Acta Crystallographica Section C","1999","55","4","585","586","10.1107/S0108270198015017","","","0.71073","MoKα","","0.0862","0.0576","","","","0.1714","","","","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008316","5.8512","0.0002","13.041","0.0006","14.8412","0.0007","90","","90","","90","","1132.47","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-imino(dimethylamino)benzenesulfonic acid","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C36 H56 N8 O16 S4 -","4","1","BK1436","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","A Schiff base formed from sulfanilic acid and dimethylformamide","Acta Crystallographica Section C","1999","55","4","697","698","10.1107/S0108270198016060","","","0.71073","MoKα","","0.0465","0.0343","","","","0.0818","","","","","","1.129","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008317","12.014","0.006","9.8","0.002","16.068","0.003","90","","93.8","0.03","90","","1887.6","1.1","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C24 H24 S -","- C24 H24 S -","- C96 H96 S4 -","4","1","BK1440","Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D.","<i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene","Acta Crystallographica Section C","1999","55","4","626","628","10.1107/S010827019801453X","","","0.71069","MoKα","","0.069","0.036","","","","0.102","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008318","10.8956","0.0009","8.2532","0.0005","20.205","0.0012","90","","98.411","0.006","90","","1797.4","0.2","295","","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-pyridinooxyethoxy)benzene","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","BK1447","Bryan, Jeffrey C.; Delmau, Laetitia H.; Sachleben, Richard A.; Moyer, Bruce A.","1,2-Bis[2-(pyridin-2-yloxy)ethoxy]benzene","Acta Crystallographica Section C","1999","55","4","618","620","10.1107/S0108270198016722","","","0.71073","MoKα","","0.074","0.036","","","","0.094","","","","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008319","10.203","0.002","13.047","0.004","15.99","0.005","68.54","0.03","85.85","0.02","76.48","0.02","1925.9","1","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","bis-triphenylphosphane silver 1-phenyltetrazolethiolate","","- C44 H39 Ag N4 O P2 S -","- C44 H39 Ag N4 O P2 S -","- C88 H78 Ag2 N8 O2 P4 S2 -","2","1","BM1275","Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C.","(1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate","Acta Crystallographica Section C","1999","55","4","555","557","10.1107/S0108270199000311","","","0.71069","MoKα","","0.049","0.029","","0.071","0.065","","","","1.015","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008320","10.0761","0.0012","10.6819","0.0013","10.9819","0.0012","63.847","0.002","72.015","0.003","79.359","0.002","1007.5","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","1","0.5","BM1276","Atakol, Orhan; Arici, Cengiz; Ercan, Filiz; Ülkü, Dinçer","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}copper(II) dioxane solvate","Acta Crystallographica Section C","1999","55","4","511","513","10.1107/S0108270198014334","","","0.71073","MoKα","","","0.044","","","0.046","","","","","0.96","0.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008321","6.9693","0.0002","9.5268","0.0003","11.1032","0.0004","97.595","0.001","104.295","0.0005","95.327","0.002","702.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Phenyl 5-(2-chlorophenyl) 1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","BM1285","Kumaran,D.; Ponnuswamy,M.N.; Jayanthi,G.; Ramakrishnan, V.T.; Chinnakali, K.; Fun, H.-K.","3-(2-Chlorophenyl)-4-phenyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","4","581","582","10.1107/S0108270198013808","","","0.71073","MoKα","","0.0691","0.0478","","0.1288","0.1126","","","","1.043","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008322","8.778","0.002","8.781","0.001","10.998","0.002","85.52","0.01","85.42","0.02","78.57","0.01","826.6","0.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","4,4'‒Bipyridyl","4,4'‒Bipyridinyl","","- C20 H16 N4 -","- C10 H8 N2 -","- C40 H32 N8 -","4","2","BM1287","Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C; Pemble, Martyn E.; Thompson, J. Robin","4,4'-Bipyridyl at 203K","Acta Crystallographica Section C","1999","55","4","672","674","10.1107/S0108270198016333","","","0.71073","MoKα","","0.0921","0.0514","","0.1341","","0.1341","","","1.01","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008323","8.915","0.004","10.623","0.004","17.243","0.005","90","","90","","90","","1633","1.1","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosbulbin-B","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BM1291","Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen","Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>","Acta Crystallographica Section C","1999","55","4","559","561","10.1107/S0108270198014978","","","0.71073","MoKα","","0.064","0.044","","","","0.097","","","","","","1.106","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008324","9.022","0.003","15.576","0.002","13.489","0.003","90","","103.52","0.02","90","","1843","0.8","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl-5,7,8-tri-O-acetyl-2-deoxy-α-D-erythro-L-arabino-oct-3-ulofuranosid- 1,4-lactone","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","BM1305","Linden, Anthony; Lee, C. Kuan; Li, Xiaofeng","A fused furanoside-1,4-lactone at 173K","Acta Crystallographica Section C","1999","55","4","642","644","10.1107/S0108270198016692","","","0.71073","MoKα","","0.089","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008325","18.5888","0.0012","8.1378","0.001","28.964","0.002","90","","90","","90","","4381.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 N2 O11 S2 -","- C14 H34 N2 O11 S2 -","- C112 H272 N16 O88 S16 -","8","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.058","0.033","","","","0.074","","","","","","0.883","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008326","11.67","0.003","15.623","0.005","14.528","0.004","90","","108.74","0.03","90","","2508.3","1.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminopyridinium Di(methanesulfonyl)amidate 1,4,7,1O,13,16-Hexaoxacyclooctadecane (1/1/1)","","- C19 H37 N3 O10 S2 -","- C19 H37 N3 O10 S2 -","- C76 H148 N12 O40 S8 -","4","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.049","0.038","","","","0.094","","","","","","1.061","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008327","9.782","0.002","10.283","0.002","10.497","0.002","90","","90","","90","","1055.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Mn N O7 -","- C6 H13 Mn N O7 -","- C24 H52 Mn4 N4 O28 -","4","1","BR1217","Liu, Ye-Qi; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei; Shao, Mei-Cheng","A one-dimensional coordination polymer of manganese(II) with <i>N</i>-(2-hydroxyethyl)iminodiacetate: {[Mn(Hheidi)(H~2~O)]^.^H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1999","55","4","534","536","10.1107/S0108270198016084","","","0.71073","MoKα","","0.044","0.038","","0.106","0.094","","","","1.031","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008328","5.37","0.002","8.268","0.004","12.693","0.003","90","","90.37","0.02","90","","563.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium iron II diphosphate","","","- Fe O7 P2 Sr -","- Fe O7 P2 Sr -","- Fe4 O28 P8 Sr4 -","4","1","BR1225","Le Meins, Jean-Marc; Courbion, Georges","SrFeP~2~O~7~, a new homologue in the <i>AM</i>P~2~O~7~ series","Acta Crystallographica Section C","1999","55","4","481","483","10.1107/S0108270198017375","","","0.71073","MoKα","","0.054","0.033","","0.09","0.084","","","","1.018","1.082","1.082","","","","","has coordinates","191888","2020-10-21","18:00:00",""
"2008329","10.2357","0.0014","10.2357","0.0014","3.5425","0.0007","90","","90","","90","","371.15","0.1","293","2","293","2","","","","","","","","2","I 4/m","-I 4","87","","","","- Sb4 Ta5 -","- Sb4 Ta5 -","- Sb8 Ta10 -","2","0.125","BR1226","Kang, Sung Kwon; Miller, Gordon J.","Ta~5~Sb~4~","Acta Crystallographica Section C","1999","55","4","483","485","10.1107/S0108270198015881","","","0.71073","MoKα","","0.071","0.029","","","","0.065","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008330","8.9928","0.0001","11.2809","0.0002","5.48116","0.00009","90","","90","","90","","556.05","0.02","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","gadolinium gallium oxide","","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","BR1230","Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko","Gd~3~GaO~6~ by X-ray powder diffraction","Acta Crystallographica Section C","1999","55","4","479","481","10.1107/S0108270198016096","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008331","13.8627","0.0003","12.6533","0.0003","16.6278","0.0004","90","","111.697","0.001","90","","2710.02","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(C4 H12 N)4 Ge9 H12 O26 14(H2 O)","","- C16 H88 Ge9 N4 O40 -","- C16 H88 Ge9 N4 O40 -","- C32 H176 Ge18 N8 O80 -","2","0.5","BR1237","Tripathi, Akhilesh; Young Jr., Victor G.; Johnson, Geoffrey M.; Cahill, Christopher L.; Parise, John B.","[N(CH~3~)~4~]~4~H~12~Ge~9~O~26~^.^14H~2~O","Acta Crystallographica Section C","1999","55","4","496","499","10.1107/S0108270198014838","","","0.71073","MoKα","","0.0766","0.0483","","0.1096","","0.0998","","","","1.149","1.149","1.08","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008332","20.5254","0.0013","15.1311","0.001","6.1276","0.0004","90","","90","","90","","1903.1","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2H-pyran-2-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","CF1285","Kumar, Rajesh; Parmar, Virinder S.; Errington, William","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1999","55","4","561","563","10.1107/S0108270198015121","","","0.71073","MoKα","","0.067","0.047","","","","0.094","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008333","10.48","0.002","11.949","0.002","15.005","0.003","90","","90","","90","","1879","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4‒(N‒Methylnitramino)-1‒methylpyridinium bromide","","- C7 H10 Br N3 O2 -","- C7 H10 Br N3 O2 -","- C56 H80 Br8 N24 O16 -","8","1","CF1290","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide","Acta Crystallographica Section C","1999","55","4","691","693","10.1107/S0108270198014656","","","0.71073","MoKα","","0.0664","0.0293","","","","0.0823","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008334","13.003","0.001","8.8836","0.0006","20.196","0.002","90","","95.065","0.008","90","","2323.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N-phenyl benzoylhydroxamate-O,O')(acetylacetone benzoylhydrazonato-O,N,O')- oxo-vanadium(V)","","- C25 H22 N3 O5 V -","- C25 H22 N3 O5 V -","- C100 H88 N12 O20 V4 -","4","1","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.104","0.056","","0.124","0.109","","","","0.976","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008335","9.72","0.001","18.274","0.002","12.542","0.001","90","","104.868","0.009","90","","2153.2","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-phenyl benzoylhydroxamate-O,O')(N-salicylidene-L-alaninato-O,N,O')- oxo-vanadium(V)","","- C23 H19 N2 O6 V -","- C23 H19 N2 O6 V -","- C92 H76 N8 O24 V4 -","4","2","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.096","0.062","","0.145","0.129","","","","0.97","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008336","9.125","0.0007","12.769","0.001","16.428","0.002","90","","98.738","0.009","90","","1891.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphoniopropionate dihydrate","","- C21 H23 O4 P -","- C21 H23 O4 P -","- C84 H92 O16 P4 -","4","1","DA1039","Ng, Seik Weng","3-Triphenylphosphoniopropionate dihydrate","Acta Crystallographica Section C","1999","55","4","646","648","10.1107/S0108270198014887","","","0.71073","MoKα","","0.1303","0.0729","","","","0.2145","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008337","15.64","0.004","22.765","0.006","5.681","0.001","90","","92.663","0.005","90","","2020.5","0.8","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine","","- C18 H19 N3 O8 S2 -","- C18 H19 N3 O8 S2 -","- C72 H76 N12 O32 S8 -","4","1","DA1049","Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.","<i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine","Acta Crystallographica Section C","1999","55","4","624","626","10.1107/S0108270198017612","","","0.7107","MoKα","","0.0639","0.039","","0.1043","0.0969","","","","1.004","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008338","8.984","0.003","11.912","0.004","9.548","0.003","90","","108.34","0.03","90","","969.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-(Diaqua-O,O')(C-meso-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')Nickel(II) Chloride","","- C14 H36 Cl2 N4 Ni O2 -","- C14 H36 Cl2 N4 Ni O2 -","- C28 H72 Cl4 N8 Ni2 O4 -","2","0.5","DA1051","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) dichloride","Acta Crystallographica Section C","1999","55","4","543","545","10.1107/S0108270198017594","","","0.71073","MoKα","","0.0506","0.045","","","","0.1436","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008339","11.503","0.004","4.975","0.002","13.304","0.003","90","","99.86","0.02","90","","750.1","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-propylimidazolidinetrion","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C24 H32 N8 O12 -","4","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.106","0.047","","","","0.087","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008340","49.87","0.02","5.406","0.003","8.471","0.003","90","","88.66","0.03","90","","2283.1","1.8","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-phenylethyl-N-methylimidazolidinetrione","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.174","0.052","","","","0.116","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008341","26.9834","0.0006","16.8216","0.0004","28.1","0.0004","90","","90.164","0.001","90","","12754.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dodecamolybodtetrakis(p‒cyanophenyl)arsonate tetrabutylammonium salt","","","- C92 H160 As4 Mo12 N8 O46 -","- C92 H160 As4 Mo12 N8 O46 -","- C368 H640 As16 Mo48 N32 O184 -","4","0.5","DA1056","Johnson, Bret J.S.; Buss, Carrie E.; Young Jr., Victor G.; Stein, Andreas","Tetrakis(tetrabutylammonium) tetrakis[(<i>p</i>-cyanophenyl)trioxoarsonato]tetratriacontaoxododecamolybdate(4 ‒)","Acta Crystallographica Section C","1999","55","4","549","551","10.1107/S0108270198017636","","","0.71073","MoKα","","0.0833","0.0463","","0.1156","0.1024","","","","0.992","1.076","1.076","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008342","18.178","0.003","9.233","0.004","30.904","0.007","90","","101.3","0.01","90","","5086","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)","","- C22 H25 Cl O2 P2 Pd S2 -","- C22 H25 Cl O2 P2 Pd S2 -","- C176 H200 Cl8 O16 P16 Pd8 S16 -","8","2","DE1097","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.","Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","541","543","10.1107/S0108270198014905","","","0.71073","MoKα","","0.081","0.053","","0.217","0.159","","","","1.07","0.902","0.902","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2008343","13.9841","0.0002","16.8118","0.0002","16.8033","0.0002","90","","93.858","0.001","90","","3941.47","0.09","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl9 D3 N2 O6 P2 Pd -","- C28 H25 Cl9 N2 O6 P2 Pd -","- C112 H100 Cl36 N8 O24 P8 Pd4 -","4","1","FG1483","Rath, Nigam P.; Stockland Jr, Robert A.; Anderson, Gordon K.","[Bis(diphenylphosphino)methane]dinitratopalladium(II) tris(deuteriochloroform) solvate","Acta Crystallographica Section C","1999","55","4","494","496","10.1107/S0108270198016345","","","0.71073","MoKα","","0.047","0.04","","","","0.109","","","","","","1.034","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008344","7.791","0.001","11.198","0.001","16.986","0.002","90","","90","","90","","1481.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Santonic Acid","(-)-octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano- 1H-indene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FG1516","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Santonic acid: catemeric hydrogen bonding in a γ,ε-diketo carboxylic acid","Acta Crystallographica Section C","1999","55","4","566","568","10.1107/S0108270198014231","","","0.71073","MoKα","","0.077","0.053","","0.135","0.12","","","","1.08","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008345","10.3179","0.0001","13.6397","0.0001","27.183","0.0005","90","","90","","90","","3825.55","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Leucyl-L-leucine 2-methyl-1-propanol (1:1)","","- C16 H34 N2 O4 -","- C16 H34 N2 O4 -","- C128 H272 N16 O32 -","8","2","FG1518","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-leucine 2-methyl-1-propanol solvate","Acta Crystallographica Section C","1999","55","4","670","672","10.1107/S0108270198016369","","","0.71073","MoKα","","0.077","0.059","","0.145","0.135","","","","1.076","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008346","9.975","0.002","9.975","0.002","10.418","0.002","90","","90","","90","","1036.6","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","FF-arabino-uridine","1-(2'-fluoro-2'-deoxy-β-D-arabinofuranosyl) -5-fluoro-2,4(1H,3H)-pyrimidinedione","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","FG1521","Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur","FF-β-<small>D</small>-Arabinofuranosyluracil","Acta Crystallographica Section C","1999","55","4","632","633","10.1107/S0108270198015455","","","1.54178","CuKα","","0.029","0.0284","","","","0.0917","","","","","","0.865","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008347","9.305","0.002","12.78","0.003","10.444","0.003","90","","101.79","0.02","90","","1215.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FG1524","Miller, Alan J.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Oxo-1,2,3,9,10,10a-hexahydrophenanthrene-10a-carboxylic acid: catemeric hydrogen bonding in a δ-keto acid","Acta Crystallographica Section C","1999","55","4","563","566","10.1107/S0108270198017417","","","0.71073","MoKα","","0.123","0.059","","0.138","0.109","","","","1.04","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008348","8.945","0.001","10.318","0.001","10.127","0.001","90","","96.4","0.01","90","","928.84","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-acetic Acid","(+\-)-2-(carboxymethyl)-2,3-dihydro-1H-indene-1-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.069","0.043","","","","0.108","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008349","8.093","0.001","8.326","0.001","15.614","0.002","90","","96.2","0.01","90","","1046","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-propionic Acid","(+\-)-2-(2-carboxyethyl)-2,3-dihydro-1H-inden-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.074","0.048","","","","0.134","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008350","13.2974","0.0006","7.9474","0.0004","27.3988","0.0014","90","","90","","90","","2895.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1H-isoquinoline-2-carbamoyl-3-methylimidazolium Iodide","","- C14 H16 I N3 O -","- C14 H16 I N3 O -","- C112 H128 I8 N24 O8 -","8","1","FG1529","Batey, Robert A.; Yoshina-Ishii, Chiaki; Lough, Alan J.","3-Methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)imidazolium iodide","Acta Crystallographica Section C","1999","55","4","615","618","10.1107/S0108270198016473","","","0.71073","MoKα","","0.086","0.041","","","","0.091","","","","","","0.981","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008351","16.38","0.003","6.536","0.002","8.514","0.002","90","","90","","90","","911.5","0.4","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","2,3-Dicyano-1,4-dihydroxybenzene","","","- C8 H2 Cl2 N2 O2 -","- C8 H2 Cl2 N2 O2 -","- C32 H8 Cl8 N8 O8 -","4","0.5","FG1531","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","4","592","594","10.1107/S0108270198017399","","","0.7107","MoKα","","0.038","0.031","","","","0.058","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008352","9.6682","0.0009","33.169","0.002","9.9711","0.0008","90","","98.82","0.01","90","","3159.8","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H48 O4 Si4 -","- C23 H48 O4 Si4 -","- C92 H192 O16 Si16 -","4","1","FR1141","Moreno-Fuquen, Rodolfo; Jaramillo-Gómez, Luz Marina; Martín-Franco, Jaime","(<i>E</i>)-Dimethyl 4-isopropyl-3-[tris(trimethylsilyl)silylmethylene]-1,1-cyclohexanedicarboxylate","Acta Crystallographica Section C","1999","55","4","630","632","10.1107/S010827019801378X","","","0.71073","MoKα","","0.1005","0.0534","","0.1799","0.135","","","","1.097","1.015","1.015","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008353","9.153","0.001","11.495","0.001","10.277","0.001","90","","93.161","0.004","90","","1079.64","0.18","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'H)-furan]-2'10-dione","","- C12 H15 N O3 -","- C12 H14.76 N O3 -","- C48 H59.04 N4 O12 -","4","2","FR1145","Lynch, Vincent M.; Bur, Scott K.; Martin, Stephen F.","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'<i>H</i>)-furan]-5',10-dione: an example of kryptoracemic crystallization","Acta Crystallographica Section C","1999","55","4","622","624","10.1107/S0108270198012748","","","0.71073","MoKα","","0.0377","0.0337","","0.0824","0.0796","","","","1.006","1.015","1.015","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008354","7.736","0.006","11.69","0.004","14.704","0.005","82.58","0.04","79.28","0.04","88.56","0.04","1295.6","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.092","0.055","","","","0.154","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008355","9.2792","0.0002","8.7627","0.0002","20.1726","0.0005","90","","98.445","0.001","90","","1622.47","0.07","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.043","0.035","","","","0.094","","","","","","1.042","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008356","5.406","0.004","6.512","0.004","13.118","0.005","74.52","0.03","79.4","0.03","70.3","0.03","416.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","1","0.5","FR1155","Sobanska, Sophie; Lagrenee, Michel; Wignacourt, Jean-Pierre; Holt, Elizabeth M.","Diaquabis(pyridazin-1-ium-3,6-dicarboxylato-<i>N</i>^2^,<i>O</i>^3^)copper(II) dihydrate","Acta Crystallographica Section C","1999","55","4","553","555","10.1107/S0108270199000116","","","0.71069","MoKα","","0.038","0.035","","","","0.09","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008357","27.7745","0.0012","7.327","0.0003","11.9575","0.0005","90","","91.126","0.001","90","","2432.93","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","FR1156","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhong-Lin Lu; Bei-Sheng Kang","<i>p</i>-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","4","574","576","10.1107/S0108270198015893","","","0.71073","MoKα","","0.1211","0.0639","","","","0.146","","","","","","1.058","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008358","9.9152","0.0006","11.0521","0.0007","13.763","0.001","69.6","0.005","73.969","0.006","65.035","0.005","1266.67","0.16","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","FR1166","Özbey, Süheyla; Kendi, Engin; Kılcıgil Ayhan, Gülgün; Ertan, Rahmiye","A flavone 1,4-dihydropyridine calcium antagonist","Acta Crystallographica Section C","1999","55","4","678","680","10.1107/S0108270198014930","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008359","12.5684","0.0009","14.4723","0.001","6.1016","0.0009","90","","90","","90","","1109.8","0.2","150","2","150","2","","","","","","","","2","P n a 21","P 2c -2n","33","Acefluoranthylene","Cyclopenta[cd]fluoranthene","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","GD1006","Lutz, Martin; Spek, Anthony L.; Sarobe, Martin; Jenneskens, Leonardus W.","Acefluoranthylene","Acta Crystallographica Section C","1999","55","4","659","661","10.1107/S0108270198013298","","","0.71073","MoKα","","0.04","0.034","","","","0.089","","","","","","1.024","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008360","13.271","0.002","6.674","0.002","14.79","0.001","90","","97.505","0.01","90","","1298.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","t-butylammonium hydrogenphenylphosphate","","- C10 H18 N O4 P -","- C10 H18 N O4 P -","- C40 H72 N4 O16 P4 -","4","1","GD1010","Reinoso, Santiago; Vitoria, Pablo; Ugalde, Maria; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Román, Pascual","<i>tert</i>-Butylammonium hydrogen phenyl phosphate","Acta Crystallographica Section C","1999","55","4","683","685","10.1107/S0108270198016734","","","0.71069","MoKα","","","0.037","","0.053","0.043","","","","","","","3.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008361","10.494","0.004","13.11","0.004","13.485","0.004","90","","90","","90","","1855.2","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Complexe de cuivre(II) diamino-1,2(cyclohexane diacétatodiacétique) trihydrate","","- C14 H26 Cu N2 O11 -","- C14 H26 Cu N2 O11 -","- C56 H104 Cu4 N8 O44 -","4","1","GS1006","Ben Amor, Fatma; Jouini, Tahar","Complexe de cuivre(II) diamino-1,2-(cyclohexane diacétatodiacétique) trihydrate","Acta Crystallographica Section C","1999","55","4","499","501","10.1107/S0108270198011561","","","0.71069","MoKα","","0.048","0.037","","0.1","0.09","","","","1.093","1.061","1.061","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008362","7.095","0.002","11.761","0.004","8.419","0.003","90","","98.4","0.02","90","","695","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aqua(N,N,N',N'-tetramethylethylenediamine)diisothiocyanato-copper(II)","","- C8 H18 Cu N4 O S2 -","- C8 H18 Cu N4 O S2 -","- C16 H36 Cu2 N8 O2 S4 -","2","1","GS1023","Vrábel, Viktor; Garaj, Ján; Sivý, Július; Oktavec, Drahomír","Aquadiisothiocyanato(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1999","55","4","551","553","10.1107/S0108270198014553","","","0.71069","MoKα","","0.033","0.024","","0.06","0.059","","","","0.83","0.901","0.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008363","8.761","0.0005","8.8907","0.0004","10.4403","0.0006","112.419","0.004","106.101","0.005","96.407","0.004","700.3","0.08","293","","","","","","","","","","","4","P -1","-P 1","2","","diclhoro (phenylethinyl)(butyl)tellurium(IV)","","- C12 H14 Cl2 Te -","- C12 H14 Cl2 Te -","- C24 H28 Cl4 Te2 -","2","1","GS1025","Zukerman-Schpector, J.; Camillo, Robinson L.; Dabdoub, Miguel J.; Begnini, Mauro L.; Caracelli, I.","Butyldichloro(phenylethynyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","4","648","650","10.1107/S0108270198014565","","","0.71073","MoKα","","0.03","0.028","","0.077","","0.075","","","1.117","","","1.122","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008364","14.361","0.002","13.711","0.002","7.475","0.002","90","","90","","90","","1471.9","0.5","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H17 N O6 P2 -","- C11 H17 N O6 P2 -","- C44 H68 N4 O24 P8 -","4","1","GS1026","Saint-Clair, Jean-François; Siméon, Fabrice; Villemin, Didier; Averbuch-Pouchot, Marie-Thérèse","2-Hydroxy-5-methyl-2-oxo-6-phenyl-4-phosphonomethyl-1,4,2-oxazoniaphosphorinane","Acta Crystallographica Section C","1999","55","4","588","590","10.1107/S0108270198016643","","","0.7107","MoKα","","0.0264","0.0264","","0.0331","0.0331","","","","1.836","1.836","1.836","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008365","12.7246","0.0015","9.5273","0.0017","18.451","0.002","90","","93.098","0.012","90","","2233.6","0.5","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-methylbenzoyl)-6-(4-methylbenzilidene)-3-phenyl-2oxa-3-azabicyclo[3.3.0] oct-7-ene","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","GS1028","Djapa, Francis; Ciamala, Kabula; Vebrel, Joël; Kubicki, Marek M.; Blacque, Olivier","4-(4-Methylbenzoyl)-6-(4-methylbenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","Acta Crystallographica Section C","1999","55","4","677","678","10.1107/S0108270198015947","","","0.71073","MoKα","","0.1658","0.0502","","","","0.1564","","","","","","0.995","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008366","3.7946","0.0002","19.1766","0.0007","13.0641","0.0006","90","","96.893","0.001","90","","943.77","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidine-Fumaric Acid (1:2) co-crystal","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","HA1239","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","2-Aminopyrimidine‒fumaric acid cocrystal","Acta Crystallographica Section C","1999","55","4","583","585","10.1107/S0108270198014127","","","0.71073","MoKα","","0.103","0.067","","","","0.184","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008367","7.1276","0.0006","7.886","0.0006","8.9938","0.0007","100.143","0.002","91.493","0.002","110.972","0.001","462.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetylamino-6-methylpyridine N-oxide monohydrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","HA1243","Shyamaprasad Goswami; Kumaresh Ghosh; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Acetylamino-6-methylpyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","1999","55","4","579","581","10.1107/S0108270198014139","","","0.71073","MoKα","","0.071","0.05","","","","0.161","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008368","13.585","0.002","35.391","0.007","7.067","0.002","90","","90","","90","","3397.7","1.3","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride","","- C18 H24 Cl N3 -","- C18 H24 Cl N3 -","- C144 H192 Cl8 N24 -","8","1","HA1247","Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell","2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride","Acta Crystallographica Section C","1999","55","4","668","670","10.1107/S0108270198017648","","","1.5418","CuKα","","0.14","0.0561","","0.2646","0.1371","","","","1.056","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008369","7.375","0.0001","12.53","0.0002","15.8752","0.0002","84.095","0.001","86.38","0.001","77.933","0.001","1425.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3,5,7,3'-tetrahydroxy-4'-methoxyflavone monohydrate","","- C16 H14 O8 -","- C16 H14 O8 -","- C64 H56 O32 -","4","2","HA1249","Nor Syarmila Shuib; Teng Wah Sam; Keng Chong Wong; Kandasamy Chinnakali; Hoong-Kun Fun","Tamarixetin monohydrate","Acta Crystallographica Section C","1999","55","4","576","578","10.1107/S0108270198017430","","","0.71073","MoKα","","0.076","0.059","","","","0.163","","","","","","1.184","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008370","31.425","0.005","14.289","0.002","12.375","0.002","90","","90","","90","","5556.8","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl N3 O8 Zn -","- C26 H36 Cl N3 O8 Zn -","- C208 H288 Cl8 N24 O64 Zn8 -","8","1","JZ1294","Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter","[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~","Acta Crystallographica Section C","1999","55","4","557","558","10.1107/S0108270198016795","","","0.71073","MoKα","","0.097","0.059","","","","0.104","","","","","","1.123","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008371","11.684","0.002","14.943","0.003","16.749","0.003","105.79","0.01","106.85","0.01","91.36","0.01","2676.4","0.9","293","2","","","","","","","","","","7","P -1","-P 1","2","","Chlorobis-[1,2-bis(diphenylphosphino)ethane]oxotungsten(IV) hexafluorophospate chloroform solvate","","- C53 H49 Cl4 F6 O P5 W -","- C53 H49 Cl4 F6 O P5 W -","- C106 H98 Cl8 F12 O2 P10 W2 -","2","1","JZ1303","Llusar, R.; Mata, J.; Peris, E.; Köckerling, M.","The oxotungsten(IV) complex [WOCl(Ph~2~PCH~2~CH~2~PPh~2~)~2~]PF~6~^.^CHCl~3~","Acta Crystallographica Section C","1999","55","4","506","508","10.1107/S0108270198015856","","","0.71073","MoKα","","","0.046","","","","0.048","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008372","11.663","0.004","25.704","0.005","12.07","0.004","90","","103.856","0.014","90","","3513.1","1.8","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis-[N,N'-ehtylene-bis(2-thioacetophenonidenimine)iron(III)]","","- C36 H36 Fe2 N4 O S4 -","- C36 H36 Fe2 N4 O S4 -","- C144 H144 Fe8 N16 O4 S16 -","4","1","JZ1316","Karsten, Peter; Strähle, Joachim","μ-Oxo-bis[<i>N</i>,<i>N</i>'-ethylenebis(2-thioacetophenonidenimine)iron(III)]","Acta Crystallographica Section C","1999","55","4","488","489","10.1107/S0108270198014826","","","1.5418","CuKα","","0.0909","0.0563","","0.194","","0.1514","","","0.931","","","0.854","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008373","3.9321","0.0008","10.886","0.002","8.3","0.0009","90","","103.6","0.01","90","","345.32","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 O2 S4 -","- C4 O2 S4 -","- C8 O4 S8 -","2","0.5","JZ1320","Harald Müller; Marie-Thérèse Averbuch","1,3,4,6-Tetrathiapentalene-2,5-dione","Acta Crystallographica Section C","1999","55","4","590","592","10.1107/S0108270198014346","","","0.7107","MoKα","","0.0295","0.0295","","0.0448","0.0448","","","","1.919","1.919","1.919","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008374","26.392","0.006","8.041","0.001","18.168","0.004","90","","132.39","0.01","90","","2847.6","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-[N,N'-diethyl-N,N'-bis(β-mercaptoethyl)-1,3- propanediamine]}dimanganese(II).","","- C22 H48 Mn2 N4 S4 -","- C22 H48 Mn2 N4 S4 -","- C88 H192 Mn8 N16 S16 -","4","0.5","JZ1322","Jörg Schneider; Birgit Schnautz; Ralf Hauptmann; Gerald Henkel","Bis(μ-3,7-diethyl-3,7-diazanonane-1,9-dithiolato)dimanganese(II)","Acta Crystallographica Section C","1999","55","4","489","491","10.1107/S0108270198016485","","","0.71073","MoKα","","","0.0245","","","","0.0646","","","","1.091","1.091","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2008375","9.798","0.003","18.752","0.004","19.246","0.002","90","","90","","90","","3536.1","1.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate","","- C15 H19 Br N2 O4 S -","- C15 H19 Br N2 O4 S -","- C120 H152 Br8 N16 O32 S8 -","8","2","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.28","0.069","","0.178","0.118","","","","0.969","1.239","1.239","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2008376","5.295","0.006","11.559","0.008","11.698","0.011","90","","90.64","0.08","90","","715.9","1.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-3-benzylimino-2-isopropylidene-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.128","0.061","","0.143","0.115","","","","0.992","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008377","12.5516","0.0015","7.6362","0.0007","19.828","0.002","90","","94.049","0.011","90","","1895.7","0.3","134","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine.","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","2","KA1301","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine: a monoclinic crystal structure with local orthorhombic pseudosymmetry","Acta Crystallographica Section C","1999","55","4","689","691","10.1107/S0108270198015157","","","0.71073","Mo-Kα","","","0.063","","","0.053","","","","","1.283","1.283","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008378","14.0723","0.0009","7.462","0.002","21.489","0.001","90","","90","","90","","2256.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dibromobiphenyl","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C96 H64 Br16 -","8","1","LN1062","MacNeil, Dean D.; Decken, Andreas","2,2'-Dibromobiphenyl","Acta Crystallographica Section C","1999","55","4","628","630","10.1107/S0108270198015339","","","1.54178","CuKα","","","0.0326","","","","0.113","","","","","","1.032","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008379","14.627","0.003","15.834","0.004","43.135","0.013","90","","90","","90","","9990","4","203","1","203","1","","","","","","","","5","F 2 d d","F -2d 2","43","","1,13-Diaza-2,14-cyclotetraeicosanedione","","- C22 H43 Cl N2 O2 -","- C22 H43 Cl N2 O2 -","- C352 H688 Cl16 N32 O32 -","16","1","LN1071","Escudero, Encarnacion; Subirana, José A.; Solans, Xavier","Amino-11-undecanoic acid cyclic dimer hydrochloride","Acta Crystallographica Section C","1999","55","4","644","646","10.1107/S0108270198015480","","","0.71069","MoKα","","0.2026","0.0494","","","","0.1966","","","","","","0.847","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008380","9.308","0.002","10.6395","0.0019","11.225","0.002","86.959","0.016","70.753","0.019","79.375","0.018","1031.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","7,11-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-a][2,3] benzodiazepin-6(5H)-one","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","NA1353","Bruno, Giuseppe; Chimirri, Alba; Gitto, Rosaria; Nicoló, Francesco; Scopelliti, Rosario","7,11b-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-<i>a</i>][2,3]benzodiazepin-6(5<i>H</i>)-one","Acta Crystallographica Section C","1999","55","4","685","687","10.1107/S010827019801227X","","","0.71073","MoKα","","0.0623","0.0342","","0.0802","0.0754","","","","0.796","1","1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008381","6.1418","0.0002","7.5325","0.0001","14.5931","0.0005","91.876","0.002","101.71","0.001","95.106","0.002","657.55","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","fluoropyridyl-biphenyl","1-perfluoropyridyl-4-phenylbenzene","","- C17 H9 F4 N -","- C17 H9 F4 N -","- C34 H18 F8 N2 -","2","1","NA1381","Resel, Roland; Thurner, Philipp; Kahlert, Hartmut; Völlenkle, Horst; Winkler, Berthold; Müllner, Ruth; Stelzer, Franz; Tunega, Daniel; Leising, Günther","4-(4-Biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for application in light-emitting diodes","Acta Crystallographica Section C","1999","55","4","693","695","10.1107/S0108270198015169","","","0.71073","MoKα","","0.065","0.046","","0.167","0.135","","","","1.189","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008382","9.2654","0.0012","10.6629","0.0014","27.703","0.004","90","","90","","90","","2736.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3beta-bromo-6beta-acetoxy-5alfa-spirostan-23-one","","- C29 H43 Br O5 -","- C29 H43 Br O5 -","- C116 H172 Br4 O20 -","4","1","NA1383","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Martín A. Iglesias Arteagas; Roxana Pérez Gil; Francisco Coll Manchado","(25<i>R</i>)-6β-Acetoxy-3β-bromo-5α-spirostan-23-one","Acta Crystallographica Section C","1999","55","4","601","603","10.1107/S0108270198016382","","","1.54178","CuKα","","0.081","0.061","","0.171","","0.142","","","1.097","","","1.097","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008383","9.185","0.001","12.052","0.001","18.899","0.001","90","","90","","90","","2092.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,R~S~)-N-methyl-6,7-dimethoxy-1-(p-tolylsulfinyl)methyl- 1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","","- C21 H24 F3 N O3 S -","- C21 H24 F3 N O3 S -","- C84 H96 F12 N4 O12 S4 -","4","1","NA1386","Pierfrancesco Bravo; Eleonora Corradi; Marcello Crucianelli; Stefano Valdo Meille; Matteo Zanda","(1<i>S</i>,<i>R</i>~S~)-6,7-Dimethoxy-<i>N</i>-methyl-1-(<i>p</i>-tolylsulfinylmethyl)-1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","4","687","689","10.1107/S0108270198016114","","","1.5418","CuKα","","0.0757","0.0575","","","","0.1612","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008384","9.619","0.001","10.325","0.002","18.91","0.003","90","","90","","90","","1878.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)1-(1-hydroxymethyl-propyl)-pyrrolidine-2,5-dione","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","2","NA1387","Pilati, Tullio; G. Biju Kumar; Amrish C. Shah","(<i>R</i>)-<i>N</i>-(1-Hydroxybut-2-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","1999","55","4","612","613","10.1107/S010827019801484X","","","0.71073","MoKα","","0.0956","0.0465","","","","0.1163","","","","","","0.97","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008385","11.8787","0.0008","15.483","0.001","12.3467","0.0008","90","","108.21","0.01","90","","2157.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,6,6-tetramethyl-9-(3-nitrophenyl)-3,4,5,6,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C92 H104 N8 O16 -","4","1","NA1388","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán","3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","4","596","599","10.1107/S0108270198016394","","","1.54178","CuKα","","0.087","0.059","","","","0.186","","","1.108","","","1.108","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008386","7.163","0.001","18.299","0.001","10.407","0.001","90","","109.55","0.01","90","","1285.5","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O8 -","- C26 H26 Co N4 O8 -","- C52 H52 Co2 N8 O16 -","2","0.5","NA1389","Hökelek, Tuncer; Necefoğlu, Hacalı","<i>trans</i>-Diaquabis(benzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","4","545","547","10.1107/S0108270199000153","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008387","7.7585","0.0005","15.606","0.001","22.8759","0.0009","90","","90","","90","","2769.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl-4β-bromine-7α-cathyloxy-3-oxo-5β-cholanoate","","- C28 H43 Br O6 -","- C28 H40 Br O6 -","- C112 H160 Br4 O24 -","4","1","NA1393","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Francisco Coll Manchado; Roxana Pérez Gil","Methyl 4β-bromo-7α-cathyloxy-3-oxo-5β-cholanoate","Acta Crystallographica Section C","1999","55","4","599","601","10.1107/S0108270198016400","","","1.54178","CuKα","","0.054","0.044","","","","0.138","","","1.071","","","1.071","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008388","10.6629","0.0004","9.8546","0.0004","17.5982","0.0008","90","","94.249","0.001","90","","1844.11","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-benzoyl-1-naphthylbenzoate","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","NA1396","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","2-Benzoyl-1-naphthyl benzoate","Acta Crystallographica Section C","1999","55","4","587","588","10.1107/S010827019801765X","","","0.71073","MoKα","","0.105","0.065","","","","0.18","","","","","","1.142","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008389","9.245","0.002","16.226","0.002","8.828","0.002","92.41","0.01","98.17","0.02","78.08","0.01","1282.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","","- C26 H29 K N2 O7 -","- C26 H29 K N2 O7 -","- C52 H58 K2 N4 O14 -","2","1","OA1064","Shinya Matsumoto; Kaname Yumura; Hiroyuki Otani; Jin Mizuguchi","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","Acta Crystallographica Section C","1999","55","4","536","538","10.1107/S0108270198014772","","","1.5418","CuKα","","0.1006","0.0556","","0.0687","0.0605","","","","1.23","1.312","1.312","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008390","18.62","0.01","12.691","0.008","17.42","0.01","90","","121.17","0.05","90","","3522","4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C184 H120 Br8 O16 -","8","1","OA1073","Takumi Oshima; Kazuaki Fukushima; Tatsuya Kawamoto","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","Acta Crystallographica Section C","1999","55","4","608","610","10.1107/S0108270198015212","","","0.71073","MoKα","","","0.054","","","0.067","","","","","2.296","2.296","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008391","13.15","0.002","11.545","0.002","14.565","0.002","90","","102.02","0.01","90","","2162.7","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(pyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C22 H16 Cu N2 O6 S2 -","- C22.334 H15.8 Cu N2 O6 S1.876 -","- C89.336 H63.2 Cu4 N8 O24 S7.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.039","","","0.04","","","","","1.401","1.401","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008392","20.16","0.003","9","0.002","24.497","0.003","90","","118.47","0.01","90","","3907.2","1.2","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II) -μ-(2-thiopheneglyoxylato-O^1^:O^1^,O^2^)-bis(3-methylpyridine)copper(II) -μ-(2-thiopheneglyoxylato-O^1^,O^2^:O^1^)monohydrate","","- C36 H28 Cu2 N2 O13 S4 -","- C37.666 H27 Cu2 N2 O13 S3.376 -","- C150.664 H108 Cu8 N8 O52 S13.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.052","","","0.05","","","","","1.643","1.643","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008393","11.894","0.002","18.092","0.003","11.452","0.002","90","","90","","90","","2464.3","0.7","299","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","Bis(4-methylpyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C24 H20 Cu N2 O6 S2 -","- C24 H20 Cu N2 O6 S2 -","- C96 H80 Cu4 N8 O24 S8 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.054","","","0.049","","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008394","15.005","0.003","20.397","0.004","6.342","0.0013","90","","90","","90","","1941","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tri-p-tolyltriazine","2,4,6-tris-(4-Methylphenyl)-1,3,5-triazine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","OA1078","Thalladi, Venkat R.; Muthuraman, Meiyappan; Nangia, Ashwini; Desiraju, Gautam R.","Tri-<i>p</i>-tolyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","4","698","700","10.1107/S0108270198018496","","","0.71073","MoKα","","0.072","0.049","","0.14","0.121","","","","1.171","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008395","7.922","0.002","8.198","0.002","26.58","0.004","90","","90","","90","","1726.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-Pentenoyl Sultam","3H-3aR,6S,7aS-8,8-Dimethyl-N-[(3S)-3,4-dimethylpent-4-enoyl]-2,2- dioxo-3a-6-methano-4,5,6,7-tetrahydro-2,1-benzisothiazole","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","OB1002","Hughes, Andrew B.; Mackay, Maureen F.; McCaffrey, Narelle L.","Absolute structure of an <i>N</i>-pentenoyl benzisothiazole","Acta Crystallographica Section C","1999","55","4","610","612","10.1107/S0108270198016126","","","1.5418","CuKα","","0.054","0.054","","0.152","0.144","","","","1.055","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008396","8.517","0.002","7.731","0.002","10.83","0.002","90","","90.38","0.03","90","","713.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl2 N4 O10 -","- C6 H16 Cl2 N4 O10 -","- C12 H32 Cl4 N8 O20 -","2","0.5","OS1034","Cheng-Yong Su; Wen-Jun Zhang; Bei-Sheng Kang","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)oxamide diperchlorate","Acta Crystallographica Section C","1999","55","4","636","637","10.1107/S010827019801470X","","","0.71073","MoKα","","0.0721","0.0662","","0.1746","0.1681","","","","1.115","1.115","1.115","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008397","4.76","0.001","26.181","0.005","9.62","0.002","90","","92.86","0.0005","90","","1197.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Caesium 5-(2-cyanoethylthio)-1,3-dithiole-2-thione-4-thiolate","","- C6 H4 Cs N S5 -","- C6 H4 Cs N S5 -","- C24 H16 Cs4 N4 S20 -","4","1","OS1038","Simonsen, Klaus B.; Simonsen, Ole; Becher, Jan","Caesium 5-(2-cyanoethylthio)-2-thioxo-1,3-dithiole-4-thiolate","Acta Crystallographica Section C","1999","55","4","547","549","10.1107/S0108270198017442","","","0.71073","MoKα","","0.046","0.033","","0.315","0.044","","","","8.19","1.189","1.189","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008398","10.223","0.001","11.48","0.001","12.058","0.001","81.619","0.008","70.668","0.006","87.605","0.006","1321","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 N2 O4 S2 -","- C27 H32 N2 O4 S2 -","- C54 H64 N4 O8 S4 -","2","1","OS1042","Hökelek, Tuncer; Patır, Süleyman","<i>N</i>-(2,2-Dimethoxyethyl)-<i>N</i>-{9-methoxymethyl-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-yl}benzamide","Acta Crystallographica Section C","1999","55","4","675","677","10.1107/S0108270198017454","","","0.71073","MoKα","","","0.0626","","","0.0786","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008399","5.842","0.002","16.593","0.005","17.561","0.007","90","","90","","90","","1702.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","toluene-4-sulfonic acid 2-isopropyl-5-methyl-cyclohexyl ester","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","QA0096","Degen, Alexander; Bolte, Michael","(‒)-3-<i>p</i>-Menthyl tosylate","Acta Crystallographica Section C","1999","55","4","IUC9900024","","10.1107/S0108270199099667","","","0.71073","MoKα","","0.039","0.031","","","","0.081","","","1.055","","","1.054","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008400","7.331","0.0001","14.0055","0.0003","9.2714","0.0002","90","","109.451","0.001","90","","897.6","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Arylazo)imidazole","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","QA0098","Hoong-Kun Fun; Kandasamy Chinnakali; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","(1<i>H</i>-Imidazol-2-yl)phenyldiazene","Acta Crystallographica Section C","1999","55","4","IUC9900025","","10.1107/S0108270199099631","","","0.71073","MoKα","","0.074","0.043","","","","0.131","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008401","7.215","0.002","8.209","0.004","16.542","0.004","90","","100.21","0.02","90","","964.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-cyclooctanone-O-methyl-oxime","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","QA0099","Boese, Roland; Rademacher, Paul; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","5-Hydroxycyclooctanone <i>O</i>-methyloxime at 293K","Acta Crystallographica Section C","1999","55","4","IUC9900026","","10.1107/S010827019909962X","","","0.71073","MoKα","","0.057","0.042","","","","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008402","8.916","0.003","6.0717","0.0015","12.62","0.003","90","","95.027","0.014","90","","680.6","0.3","103","2","103","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","dispiro[2.1.2.1]octane","","- C8 H12 -","- C8 H12 -","- C32 H48 -","4","0.5","QA0100","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Dispiro[2.1.2.1]octane at 103K","Acta Crystallographica Section C","1999","55","4","IUC9900023","","10.1107/S0108270199099618","","","0.71073","MoKα","","0.069","0.054","","","","0.156","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008403","9.222","0.005","9.365","0.005","16.728","0.009","90","","104.62","0.01","90","","1397.9","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Allyl-3-(ethoxycarbonylmethylen)-2-oxo-1,2,3,4-tetrahydroquinoxaline","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","QA0101","Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate","Acta Crystallographica Section C","1999","55","4","IUC9900021","","10.1107/S0108270199099655","","","0.71073","MoKα","","0.127","0.055","","","","0.135","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008404","9.1581","0.0005","9.3318","0.0007","13.4647","0.0008","90","","100.14","0.005","90","","1132.74","0.13","293","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azepinoquinoleine","6-chloro-5H-tetrahydroazepino[3,2-c]quinoleine","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","QA0102","Bureau, Isabelle; Chardon, Josiane; Leclaire, Andre; Hinschberger, Antoine; Rault, Sylvain","6-Chloro-1<i>H</i>-2,3,4,5-tetrahydroazepino[3,2-<i>c</i>]quinoline","Acta Crystallographica Section C","1999","55","4","IUC9900022","","10.1107/S010827019909959X","","","0.71073","MoKα","","0.152","0.044","","0.059","0.044","","","","0.739","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008405","44.3229","0.0004","13.3413","0.0001","25.3433","0.0001","90","","105.845","0.001","90","","14416.7","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate","","- C79 H77 Ag2 O6.5 P4 -","- C79 H77 Ag2 O6.5 P4 -","- C632 H616 Ag16 O52 P32 -","8","1","QA0103","Hanna, John V.; Ng, Seik Weng","Redetermination of bis[(acetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)] monohydrate sesquiethanol solvate","Acta Crystallographica Section C","1999","55","4","IUC9900031","","10.1107/S0108270199099692","","","0.71073","MoKα","","0.071","0.043","","","","0.112","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008406","7.3176","0.0006","8.9755","0.0006","17.909","0.001","90","","93.636","0.005","90","","1173.88","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1α,4α,4aβ,9β,9aβ,10β-hexahydro-9,10-Epithioanthracene-1,4-diol","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","QA0104","Bats, Jan W.; Krämer, Norbert H.; Linde, Hermann F.G.","1α,4α,4aβ,9β,10β,10aβ-Hexahydro-9,10-epithioanthracene-1,4-diol","Acta Crystallographica Section C","1999","55","4","IUC9900027","","10.1107/S0108270199099588","","","1.5418","CuKα","","0.034","0.034","","","","0.137","","","","","","2.148","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008407","11.9597","0.0001","18.3546","0.0003","15.0141","0.0003","90","","100.772","0.001","90","","3237.75","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)","","- C36 H30 Ag N O2 P2 -","- C36 H30 Ag N O2 P2 -","- C144 H120 Ag4 N4 O8 P8 -","4","1","QA0105","Hanna, John V.; Ng, Seik Weng","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1999","55","4","IUC9900029","","10.1107/S0108270199099680","","","0.71073","MoKα","","0.087","0.046","","","","0.092","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008408","8.6226","0.0016","8.6226","0.0016","21.73","0.005","90","","90","","90","","1615.6","0.6","125","2","125","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","perfluoro-benzocyclobutene","","- C8 F8 -","- C8 F8 -","- C64 F64 -","8","0.5","QA0106","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,3,4,5,7,7,8,8,-Octafluorobicyclo[4.2.0]octa-1,3,5-triene at 125K","Acta Crystallographica Section C","1999","55","4","IUC9900036","","10.1107/S0108270199099606","","","0.71073","MoKα","","0.074","0.063","","","","0.2","","","","","","1.075","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008409","9.985","0.002","14.839","0.003","12.744","0.003","90","","108.81","0.01","90","","1787.4","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","QA0107","Elazami, Mohamed; Bitit, Najib; Kerbal, Abdelali; Fahim, Mohamed; El-Bali, Brahim; Bolte, Michael","Diethyl 2-anthracen-9-ylmethylenemalonate","Acta Crystallographica Section C","1999","55","4","IUC9900037","","10.1107/S0108270199099643","","","0.71073","MoKα","","0.112","0.054","","","","0.119","","","","","","1.017","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008410","10.195","0.0001","10.2164","0.0001","19.3172","0.0001","75.501","0.001","74.862","0.001","64.474","0.001","1730.53","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 N4 O3 W -","- C41 H30 N4 O3 W -","- C82 H60 N8 O6 W2 -","2","1","QB0073","Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa","Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV)","Acta Crystallographica Section C","1999","55","4","IUC9900032","","10.1107/S0108270199099679","","","0.71073","MoKα","","0.033","0.027","","","0.058","0.061","","","","","","1.008","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008411","10.077","0.004","13.231","0.003","17.167","0.004","98.14","0.02","106.12","0.03","111.12","0.03","1975.2","1.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2,4-Di(triphenylphosphino)-closo-decaborane-Dichloromethane (1/1)","","- C37 H40 B10 Cl2 P2 -","- C37 H40 B10 Cl2 P2 -","- C74 H80 B20 Cl4 P4 -","2","1","QB0074","Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju","2,4-Bis(triphenylphosphino)-<i>closo</i>-decaborane‒dichloromethane (1/1)","Acta Crystallographica Section C","1999","55","4","IUC9900033","","10.1107/S0108270199099576","","","0.71073","MoKα","","","0.057","","","","0.198","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008412","5.493","0.002","10.104","0.002","16.288","0.004","97.26","0.02","93.4","0.02","92.6","0.03","893.9","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","Iodoproxyfan","3-(1H-imidazol-4-yl)propyl (4-iodophenyl)methyl ether hydrogen maleate","","- C17 H19 I N2 O5 -","- C17 H19 I N2 O5 -","- C34 H38 I2 N4 O10 -","2","1","QB0075","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","4-[3-(4-Iodophenylmethoxy)propyl]-1<i>H</i>-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate)","Acta Crystallographica Section C","1999","55","4","IUC9900035","","10.1107/S0108270199099564","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.184","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008413","12.889","0.003","25.096","0.005","16.189","0.003","90","","94.812","0.015","90","","5218.1","1.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Bi2 H88 Na6 Ni2 O112 W20 -","- Bi2 Na5.998 Ni1.62 O105 W20.38 -","- Bi4 Na11.996 Ni3.24 O210 W40.76 -","2","0.5","QB0077","Rosu, Cristina; Weakley, Timothy J.R.","Hexasodium tetrahydrogen bis(triaquanickelo)icosatungstodibismuthate(III)(10 ‒) 36-hydrate","Acta Crystallographica Section C","1999","55","4","IUC9900034","","10.1107/S0108270199099710","","","0.71073","MoKα","","0.117","0.052","","0.056","","0.05","","","1.35","","","1.5","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008414","9.364","0.0019","15.401","0.003","9.871","0.002","90","","112.38","0.03","90","","1316.3","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 P2 Pd -","- C26 H26 Cl2 P2 Pd -","- C52 H52 Cl4 P4 Pd2 -","2","0.5","QB0079","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","<i>trans</i>-Dichlorobis(methyldiphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","IUC9900028","","10.1107/S0108270199099709","","","0.71073","MoKα","","0.052","0.035","","","","0.098","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008415","7.361","0.003","16.269","0.004","9.622","0.003","90","","97.6","0.03","90","","1142.2","0.7","299","","299","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","QB0084","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","1999","55","4","IUC9900030","","10.1107/S0108270199099552","","","0.71073","MoKα","","0.125","0.066","","","","0.201","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008416","10.9185","0.0011","28.281","0.004","8.638","0.0007","90","","90","","90","","2667.3","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","L-menthyl (-)-3-methoxy-13-methyl-14-ethyl-11,12,13(S)14(R)- tetrahydrophenanthrene 13-carboxylate IUPAC: L-menthyl (-)-(1R,2S)-1-ethyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydrophenanthrene-2-carboxylate","","- C29 H40 O3 -","- C29 H40 O3 -","- C116 H160 O12 -","4","1","QB0088","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A.","<small>L</small>-Menthyl ester of highly estrogenic (‒)-(<i>Z</i>)-bisdehydrodoisynolic acid 3-methyl ether","Acta Crystallographica Section C","1999","55","4","IUC9900020","","10.1107/S0108270199099540","","","0.71069","MoKα","","0.186","0.034","","","","0.121","","","","","","0.958","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008417","9.285","0.001","11.86","0.003","12.53","0.002","90","","102.94","0.01","90","","1344.8","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-di-tert-butyl-1,2-benzoquinone","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","SK1163","Horng, Den-Nan; Chyn, Jong-Pyng; Shieh, Kuan-Jiunn; Chou, Jeh-Li; Wen, Yuh-Sheng","3,5-Di-<i>tert</i>-butyl-1,2-benzoquinone","Acta Crystallographica Section C","1999","55","4","652","653","10.1107/S010827019801436X","","","0.71073","MolybdenumKα","","0.081","0.044","","0.056","0.052","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008418","7.328","0.008","8.729","0.009","11.513","0.011","95.83","0.07","107.27","0.08","97.34","0.07","689.9","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxo-pyridine-3- carboxylate","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","SK1228","Viktor Kettmann; Ján Svetlík","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxopyridine-3-carboxylate","Acta Crystallographica Section C","1999","55","4","661","663","10.1107/S0108270198015029","","","0.71073","MoKα","","0.104","0.06","","0.165","0.123","","","","1.041","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008419","4.8912","0.0006","11.6238","0.0012","5.6581","0.0003","90","","91.279","0.006","90","","321.61","0.05","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Ethylenebis(phosphonic acid)","","","- C2 H8 O4 P2 -","- C2 H8 O4 P2 -","- C4 H16 O8 P4 -","2","0.5","SK1229","Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six","Ethylenebis(phosphonic acid)","Acta Crystallographica Section C","1999","55","4","695","696","10.1107/S0108270198016448","","","0.71069","MoKα","","0.041","0.038","","","0.115","0.118","","","","","","1.286","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008420","6.893","0.004","18.222","0.008","6.981","0.003","90","","108.05","0.05","90","","833.7","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-oxa-3,17-dioxoandrostane-5α-carbaldehyde","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","SK1231","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde","Acta Crystallographica Section C","1999","55","4","637","639","10.1107/S0108270198015728","","","0.71073","MoKα","","0.0728","0.0403","","","","0.1128","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008421","9.115","0.002","14.226","0.002","20.224","0.004","90","","93.532","0.009","90","","2617.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Coumarin-3-carboxylato)triphenyltin^.^ethanol","","- C30 H26 O5 Sn -","- C30 H26 O5 Sn -","- C120 H104 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.096","0.052","","","","0.118","","","","","","0.992","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008422","12.712","0.002","19.402","0.002","14.456","0.003","90","","97.242","0.009","90","","3537","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Coumarin-3-carboxylato)triphenyltin^.^1,2-diphenylcyclopropenone","","- C43 H30 O5 Sn -","- C43 H30 O5 Sn -","- C172 H120 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.126","0.059","","","","0.126","","","","","","0.989","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008423","10.4099","0.0003","11.52","0.001","13.725","0.002","111.754","0.008","95.758","0.007","98.695","0.005","1489.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Coumarin-3-carboxylato)triphenyltin^.^quinoline N-oxide","","- C37 H27 N O5 Sn -","- C37 H27 N O5 Sn -","- C74 H54 N2 O10 Sn2 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.041","0.032","","","","0.08","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008424","9.4696","0.0006","16.164","0.002","20.816","0.002","79.329","0.008","81.946","0.007","80.861","0.007","3071.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylphosphine oxide","","- C74 H55 O9 P Sn2 -","- C74 H55 O9 P Sn2 -","- C148 H110 O18 P2 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.066","0.047","","","","0.102","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008425","9.5242","0.0004","16.219","0.002","20.807","0.002","79.501","0.009","81.793","0.007","80.523","0.006","3096","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylarsine oxide","","- C74 H55 As O9 Sn2 -","- C74 H55 As O9 Sn2 -","- C148 H110 As2 O18 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.058","0.041","","","","0.093","","","","","","1.085","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008426","8.3216","0.0016","12.392","0.003","15.949","0.002","83.58","0.02","79.634","0.016","72.99","0.015","1544","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","","- C38.9 H27.8 Cl1.8 Fe N4 -","- C38.898 H27.796 Cl1.796 Fe N4 -","- C77.796 H55.592 Cl3.592 Fe2 N8 -","2","1","SK1238","Ahmed, S. Zaka,; Glidewell, Christopher; Ferguson, George","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","Acta Crystallographica Section C","1999","55","4","503","506","10.1107/S010827019801186X","","","0.71073","MoKα","","0.145","0.067","","","","0.144","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008427","8.5966","0.0007","11.4966","0.0014","12.4867","0.0011","70.432","0.008","77.619","0.007","85.302","0.009","1135.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C52 H36 N8 O12 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0412","","","0.0517","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008428","9.0778","0.0011","11.4052","0.0013","12.0973","0.0012","84.898","0.002","87.619","0.003","71.594","0.002","1183.6","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C56 H48 N4 O8 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0279","","","0.0371","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008429","6.9446","0.0006","9.8415","0.0007","17.0921","0.0013","94.102","0.006","94.906","0.006","100.05","0.006","1141.57","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[diaqua(pyridine-2-carboxamide-N^1^,O)-copper(II)-μ-sulfato-O,O'] monohydrate","","- C6 H12 Cu N2 O8 S -","- C6 H12 Cu N2 O8 S -","- C24 H48 Cu4 N8 O32 S4 -","4","2","SK1250","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[[diaqua(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] monohydrate]","Acta Crystallographica Section C","1999","55","4","491","494","10.1107/S0108270198015340","","","0.71073","MoKα","","0.027","0.024","","","","0.066","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008430","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C","1999","55","","574","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008431","16.169","0.002","7.6796","0.0009","14.153","0.002","90","","90","","90","","1757.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","tris(ethylenediamine)-nickel(II)tetrathiomolybdate","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","SK1258","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Tris(ethylenediamine-<i>N</i>,<i>N</i>')nickel(II) tetrathiomolybdate","Acta Crystallographica Section C","1999","55","4","501","503","10.1107/S0108270198016461","","","0.71073","MoKα","","0.039","0.021","","0.05","0.046","","","","1.01","1.044","1.044","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008432","12.189","0.006","6.64","0.003","12.393","0.005","90","","105.36","0.02","90","","967.2","0.8","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 K O7 -","- C3 H13 K O7 -","- C12 H52 K4 O28 -","4","1","SX1073","Allen W. Apblett; Elizabeth M. Holt","Potassium methoxyacetate tetrahydrate","Acta Crystallographica Section C","1999","55","4","539","541","10.1107/S0108270198014395","","","0.71073","MoKα","","","0.049","","","","0.072","","","","","","1.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008433","7.513","0.001","12.74","0.002","8.68","0.001","90","","95.67","0.02","90","","826.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Patassium (μ-oxo) [(oxalato)-oxomolybdate] monohydrate","","- C2 H2 K2 Mo O8 -","- C2 K2 Mo O8 -","- C8 K8 Mo4 O32 -","4","1","TA1220","Xing, Yong-Heng; Wang, Zuo; Xu, Ji-Qing; Li, Dong-Mei; Wang, Ren-Zhang; Bu, Wei-Ming; Ye, Ling; Xing Yan; Yong-Hua Lin; Heng-Qing Jia","K~2~[MoO~3~(C~2~O~4~)]^.^H~2~O","Acta Crystallographica Section C","1999","55","4","521","523","10.1107/S0108270198014851","","","0.71073","MoKα","","0.0378","0.0358","","0.1049","0.1034","","","","1.099","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008434","19.3111","0.0012","7.5851","0.0004","15.514","0.0008","90","","90","","90","","2272.4","0.2","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- H4 Mo4 O15 Sr -","- H4 Mo4 O15 Sr -","- H32 Mo32 O120 Sr8 -","8","1","TA1224","Harrison, William T. A.","Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O","Acta Crystallographica Section C","1999","55","4","485","487","10.1107/S0108270198013602","","","0.71073","MoKα","","","0.031","","","0.022","","","","","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008435","14.671","0.004","15.135","0.002","9.328","0.002","90","","90","","90","","2071.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5-dihydro-1,2,4-oxadiazole","Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","TA1227","Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua","Methyl (2<i>S</i>)-2-[(5<i>R</i>)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","Acta Crystallographica Section C","1999","55","4","650","652","10.1107/S0108270198015492","","","0.71073","MoKα","","0.0762","0.0549","","","","0.1228","","","","","","1.096","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008436","7.359","0.003","7.873","0.003","16.098","0.004","90","0.01","96","0.02","90","0.01","927.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-Tosyl adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C34 H38 N10 O12 S2 -","2","1","VJ1090","D. Prahadeeswaran; T. P. Seshadri","2'-<i>O</i>-Tosyladenosine","Acta Crystallographica Section C","1999","55","4","606","608","10.1107/S0108270198015236","","","1.5418","CuKα","","0.0573","0.0565","","0.1371","0.1356","","","","1.086","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008437","9.412","0.002","6.914","0.001","14.667","0.002","90","0.01","102.89","0.02","90","0.02","930.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^6^Anisoyl Adenosine Monohydrate","","- C18 H21 N5 O7 -","- C18 H21 N5 O7 -","- C36 H42 N10 O14 -","2","1","VJ1092","S. Kolappan; T. P. Seshadri","<i>N</i>^6^-Anisoyladenosine monohydrate","Acta Crystallographica Section C","1999","55","4","603","604","10.1107/S0108270198015248","","","1.5418","CuKα","","0.0371","0.0356","","0.1048","0.1021","","","","1.013","1.009","1.009","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008438","14.202","0.002","5.737","0.003","33.319","0.005","90","0.02","92.93","0.02","90","0.03","2711.2","1.5","293","2","293","2","","","","","","","","4","P 1 2 1","P 2y","3","","N^3^,2',3'-Tri-O-Benzoyluridine","","- C30 H24 N2 O9 -","- C30 H24 N2 O9 -","- C120 H96 N8 O36 -","4","2","VJ1093","S. Kolappan; T. P. Seshadri","<i>N</i>^3^-Benzoyl-2',3'-di-<i>O</i>-benzoyluridine","Acta Crystallographica Section C","1999","55","4","604","606","10.1107/S0108270198015224","","","1.5418","CuKα","","0.0632","0.0407","","0.157","0.1174","","","","1.03","1.055","1.055","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008439","9.2989","0.0007","14.057","0.001","3.6066","0.0003","90","","90","","90","","471.44","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-NRTZ","4-nitramino-1,2,4-triazole","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C8 H12 N20 O8 -","4","1","AV1027","Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.","4-Nitramino-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","830","832","10.1107/S0108270199002243","","","1.5418","CuKα","","0.028","0.027","","","","0.073","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008440","20.652","0.002","8.8934","0.0006","7.5917","0.0005","90","","90","","90","","1394.34","0.19","297","","273","","","","","","","","","5","A b a 2","A 2 -2ab","41","cadmium isopropylxanthate","cadmium(II) bis-(O-isopropyldithiocarbonate)","","- C8 H14 Cd O2 S4 -","- C8 H14 Cd0.5 O2 S4 -","- C32 H56 Cd2 O8 S16 -","4","","BK1413","Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.","Cadmium isopropylxanthate","Acta Crystallographica Section C","1999","55","5","717","719","10.1107/S010827019801823X","","","0.7107","MoKα","","0.025","0.025","","","0.034","","","","1.27","1.27","1.27","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008441","13.2852","0.0004","11.4419","0.0003","13.5434","0.0004","90","","98.438","0.002","90","","2036.42","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.068","0.047","","0.123","0.105","","","","1.066","1.073","1.073","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008442","9.1757","0.0004","13.1247","0.0006","18.6567","0.0009","90","","97.412","0.003","90","","2228.02","0.18","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N O5 -","- C23 H33 N O5 -","- C92 H132 N4 O20 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.097","0.059","","0.162","0.125","","","","1.083","1.064","1.064","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008443","14.5445","0.0005","9.668","0.0002","19.8101","0.0007","90","","90.186","0.001","90","","2785.61","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.063","0.044","","0.115","0.099","","","","1.032","1.046","1.046","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008444","7.669","0.005","12.402","0.008","27.204","0.007","90","","90","","90","","2587","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","BM1292","K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi","7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin","Acta Crystallographica Section C","1999","55","5","813","815","10.1107/S0108270198016072","","","1.5418","CuKα","","0.0749","0.0699","","0.2033","0.1918","","","","1.077","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008445","7.3239","0.0014","9.8199","0.0014","13.738","0.003","90","","90","","90","","988","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,2,4-Triazolium Di(methanesulfonyl)amidate","","- C4 H10 N4 O4 S2 -","- C4 H10 N4 O4 S2 -","- C16 H40 N16 O16 S8 -","4","1","BM1307","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate","Acta Crystallographica Section C","1999","55","5","754","756","10.1107/S0108270199000426","","","0.71073","MoKα","","0.0204","0.0199","","","","0.0549","","","","","","1.068","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008446","7.4177","0.0008","21.393","0.002","9.2734","0.001","90","","101.766","0.008","90","","1440.6","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-(2'-furyl)[2.2]paracyclophane","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0536","0.0478","","","","0.1254","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008447","16.85","0.002","7.6203","0.001","11.574","0.002","90","","95.523","0.011","90","","1479.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(2'-thienyl)[2.2]paracyclophane","","- C20 H18 S -","- C20 H18 S -","- C80 H72 S4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0708","0.0378","","","","0.0841","","","","","","0.862","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008448","8.958","0.005","13.258","0.007","14.769","0.008","71.61","0.05","88.37","0.04","70.53","0.04","1563.5","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","5,9,14,18-N-(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18- tetraazadibenzo-[a,h]-tetraazacyclotetradecene)- dichlorozirconium(IV) tetrahydrofuran solvate(1/0.5)","","- C28 H34 Cl2 N4 O0.5 Zr -","- C28 H34 Cl2 N4 O0.5 Zr -","- C56 H68 Cl4 N8 O Zr2 -","2","1","CF1287","Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H","Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[<i>a</i>,<i>h</i>]cyclotetradecene-κ^4^<i>N</i>)zirconium(IV) tetrahydrofuran hemisolvate","Acta Crystallographica Section C","1999","55","5","706","707","10.1107/S0108270198018010","","","0.71073","MoKα","","0.123","0.051","","","","0.117","","","","","","0.709","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008449","16.234","0.003","11.017","0.002","7.1954","0.0014","90","","93.15","0.03","90","","1285","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-pyridyl)4-p-tolyl-1,2,4-oxadiazoline-5-thione","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","1.54184","CuKα","","0.091","0.07","","0.201","0.169","","","","1.069","1.088","1.088","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008450","7.728","0.001","8.826","0.002","9.3699","0.0009","112.89","0.01","112.029","0.009","94.84","0.01","525.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-(2-pyridyl)-4-n-propyl-1,2,4-oxadiazoline-5-thione","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C20 H22 N6 O2 S2 -","2","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","0.71073","MoKα","","0.05","0.044","","0.058","0.058","","","","","1.955","1.955","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008451","12.105","0.003","12.105","0.003","5.776","0.003","90","","90","","90","","846.4","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","2-amino-4-phenylthiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C36 H32 N8 S4 -","4","1","DA1045","Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés","2-Amino-4-phenylthiazole","Acta Crystallographica Section C","1999","55","5","821","823","10.1107/S0108270199001961","","","0.71073","MoKα","","0.066","0.042","","","","0.105","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008452","10.068","0.003","10.068","0.003","16.728","0.006","90","","90","","120","","1468.5","0.8","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C24 H27 Cl2 Mn N7 O8 -","- C24 H27 Cl2 Mn N7 O8 -","- C48 H54 Cl4 Mn2 N14 O16 -","2","0.333333","DA1054","Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying","[Tris(2-pyridyl-κ<i>N</i>-methyleneamino-κ<i>N</i>-ethyl)amine-κ<i>N</i>]manganese(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","742","744","10.1107/S0108270198017624","","","0.71073","MoKα","","0.0844","0.0516","","0.1267","0.1165","","","","1.052","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008453","7.1325","0.0006","9.7959","0.0008","12.3235","0.0008","74.082","0.006","81.086","0.006","86.242","0.007","817.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 O Ti -","- C18 H14 Cl2 O Ti -","- C36 H28 Cl4 O2 Ti2 -","2","1","FG1495","Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo","Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-<i>O</i>}titanium","Acta Crystallographica Section C","1999","55","5","728","730","10.1107/S0108270198015479","","","0.71073","MoKα","","0.0562","0.0421","","0.0707","0.0615","","","","1.105","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008454","11.5121","0.0003","8.5186","0.0003","20.4454","0.0007","90","","100.768","0.002","90","","1969.71","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dibenzo[b,f]azepin-2-one","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","FG1517","Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J.","2<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-2-one","Acta Crystallographica Section C","1999","55","5","819","821","10.1107/S0108270198016357","","","0.71073","MoKα","","0.046","0.038","","","","0.099","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008455","10.2782","0.0001","11.4269","0.0002","13.5079","0.0002","96.11","0.01","99.224","0.001","113.462","0.001","1410.87","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","2","FR1163","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam","6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione","Acta Crystallographica Section C","1999","55","5","776","778","10.1107/S0108270199000657","","","0.71073","MoKα","","0.1033","0.0609","","","","0.1499","","","","","","1.079","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008456","9.063","0.001","16.543","0.002","8.46","0.001","90","","83.11","0.01","90","","1259.2","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl F N2 O2 -","- C13 H10 Cl F N2 O2 -","- C52 H40 Cl4 F4 N8 O8 -","4","1","FR1168","Candan, M. Murat; Kendi, Engin; Göker, Hakan","4-Chloro-<i>N</i>-(<i>p</i>-fluorobenzyl)-2-nitroaniline","Acta Crystallographica Section C","1999","55","5","825","827","10.1107/S0108270199001456","","","0.71069","MoKα","","","0.039","","","0.046","","","","","0.97","0.97","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008457","13.887","0.001","7.162","0.001","32.124","0.003","90","","90","","90","","3195","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[3-(tosyloxy)-propoxy]benzaldehyde","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C136 H144 O40 S8 -","8","2","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.049","","","","0.11","","","","","","0.91","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008458","8.532","0.001","9.576","0.001","9.953","0.001","76.679","0.001","84.054","0.001","70.29","0.001","744.65","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-[3-(Tosyloxy)ethoxy]benzaldehyde","","- C16 H16 O5 S -","- C16 H16 O5 S -","- C32 H32 O10 S2 -","2","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.055","0.041","","","","0.11","","","","","","1.41","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008459","14.415","0.001","6.693","0.001","31.692","0.002","90","","90","","90","","3057.6","0.5","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[3-(Tosyloxy)-ethoxy]benzaldehyde hemihydrate","","- C16 H17 O5.5 S -","- C16 H17 O5.5 S -","- C128 H136 O44 S8 -","8","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.07","0.043","","","","0.097","","","","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008460","7.685","0.001","9.042","0.001","32.071","0.003","90","","93.46","0.01","90","","2224.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene","","- C50 H54 O16 -","- C50 H54 O16 -","- C100 H108 O32 -","2","0.5","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.042","","","","0.092","","","","","","0.88","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008461","12.148","0.002","24.682","0.002","8.021","0.002","90","","90","","90","","2405","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","FR1181","Gerkin, Roger E.","3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid","Acta Crystallographica Section C","1999","55","5","798","801","10.1107/S0108270199000128","","","0.71073","MoKα","","","0.065","","","0.077","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008462","18.6342","0.0019","11.1941","0.0008","34.734","0.002","90","","99.188","0.009","90","","7152.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trinitrato-bis[N-(2-pyridinylmethylene)-N'-benzoyl-hydrazino]cerium(III) acetone dihydrate","","- C29 H32 Ce N9 O14 -","- C29.5 H28 Ce N8.5 O14 -","- C236 H224 Ce8 N68 O112 -","8","2","GD1012","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.","Bis[<i>N</i>-benzoyl-<i>N</i>'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate","Acta Crystallographica Section C","1999","55","5","707","710","10.1107/S0108270199000438","","","0.7107","MoKα","","0.1077","0.0462","","","","0.1162","","","","","","0.945","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008463","12.369","0.001","12.998","0.001","13.39","0.001","63.54","0.01","88.97","0.01","79.89","0.01","1892.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.","","- C17 H14 Cl2 N2 O4 S2 -","- C17 H14 Cl2 N2 O4 S2 -","- C68 H56 Cl8 N8 O16 S8 -","4","2","GS1030","Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain","Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole","Acta Crystallographica Section C","1999","55","5","791","794","10.1107/S0108270198017922","","","1.54178","CuKα","","0.07","0.041","","0.101","0.134","","","","1.043","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008465","9.033","0.001","11.081","0.001","13.447","0.001","90","","90","","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HA1246","Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.","(<i>E</i>)-3-(Benzoylmethylene)-<i>N</i>-methylisoindolin-1-one","Acta Crystallographica Section C","1999","55","5","818","819","10.1107/S0108270198018393","","","0.71073","MoKα","","0.069","0.04","","0.104","0.096","","","","0.863","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008466","11.245","0.002","11.752","0.002","14.476","0.005","90","","90","","90","","1913","0.8","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R, 2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2] octan-HBr","","- C19 H33 Br N2 -","- C19 H33 Br N2 -","- C76 H132 Br4 N8 -","4","1","JZ1314","Hartmann, Susanne; Weckert, Edgar; Frahm, August W.","(1'<i>R</i>,2'<i>R</i>)-3-[(<i>cis</i>-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine","Acta Crystallographica Section C","1999","55","5","806","808","10.1107/S0108270199000402","","","0.71069","MoKα","","0.0196","0.0195","","","","0.0512","","","","","","1.102","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008467","12.106","0.002","6.831","0.001","13.411","0.003","90","","116.74","0.03","90","","990.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diaquahydrogen(1+) hexachloroantimonat","","","- Cl6 H5 O2 Sb -","- Cl6 H5 O2 Sb -","- Cl24 H20 O8 Sb4 -","4","0.5","JZ1325","Minkwitz, Rolf; Hirsch, Claudia","Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^}","Acta Crystallographica Section C","1999","55","5","703","705","10.1107/S0108270198018058","","","0.71069","MoKα","","0.065","0.034","","0.064","0.058","","","","0.995","1.074","1.074","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008468","6.914","0.003","9.48","0.007","13.644","0.004","102.9","0.04","90.3","0.03","106.85","0.05","831.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl (Z)-2-[1-methyl-2-(p-tolyl)-4,5-dihydro-1H-pyrrol-3- yl]but-2-enedioate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","JZ1327","Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P.","A functionalized dimethyl maleate (maleic acid dimethyl ester)","Acta Crystallographica Section C","1999","55","5","823","825","10.1107/S0108270199000852","","","0.71069","MoKα","","0.153","0.054","","","","0.142","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008469","4.8112","0.0007","4.8112","0.0007","23.302","0.005","90","","90","","120","","467.12","0.14","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","barium dinickel(II) bis(phosphate)","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","JZ1337","El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed","BaNi~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","5","701","702","10.1107/S0108270199000499","","","0.71073","MoKα","","0.039","0.039","","","","0.099","","","","","","1.167","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008470","12.0311","0.0016","24.574","0.003","8.9357","0.0011","90","","99.245","0.014","90","","2607.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-(2,2'-bipyridine-N,N') manganese(II) 7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid monohydrate","","- C26 H28 Mn N2 O11 -","- C26 H28 Mn N2 O11 -","- C104 H112 Mn4 N8 O44 -","4","1","KA1307","Baumeister, Ute; Hartung, Helmut; Kaplonek, Roland","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^3^<i>O</i>^2,3,7^)manganese(II)‒7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","5","715","717","10.1107/S0108270198018095","","","0.71073","MoKα","","0.103","0.052","","","","0.123","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008471","7.2842","0.0006","13.45","0.001","16.503","0.002","90","","90","","90","","1616.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","androst-4-ene-3,6,17-trione","Androst-4-ene-3,6,17-trione","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","KA1312","Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia","Androst-4-ene-3,6,17-trione","Acta Crystallographica Section C","1999","55","5","787","789","10.1107/S0108270199000517","","","1.54178","CuKα","","0.042","0.035","","","","0.101","","","","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008472","8.181","0.002","9.036","0.002","8.392","0.001","90","","90","","90","","620.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","LN1069","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel","Barium <small>L</small>-tartrate","Acta Crystallographica Section C","1999","55","5","740","742","10.1107/S0108270198016709","","","0.71069","MoKα","","0.019","0.019","","0.048","","0.048","","","1.21","","","1.21","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008473","9.5461","0.0015","6.251","0.001","20.773","0.003","90","","98.008","0.004","90","","1227.5","0.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzyloxy-1[H]-phenyltetrazole","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C56 H48 N16 O4 -","4","1","LN1073","Brigas, Amadeu F.; Clegg, William; Johnstone, Robert A.W.; Mendonca, Ricardo F.","5-Benzyloxy-1-phenyltetrazole: catalytic transfer hydrogenolysis of benzyl ethers","Acta Crystallographica Section C","1999","55","5","778","781","10.1107/S0108270199000141","","","0.71073","MoKα","","0.0902","0.0397","","","","0.0896","","","","","","0.91","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008474","14.276","0.003","15.29","0.003","19.807","0.004","90","","102.36","0.02","90","","4223.3","1.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-chlorohydridotetrakis(triethylphosphine)iridium(III) bis(catecholato)borate","","- C36 H69 B Cl Ir O4 P4 -","- C36 H69 B Cl Ir O4 P4 -","- C144 H276 B4 Cl4 Ir4 O16 P16 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.05","0.0289","","","","0.0796","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008475","12.5401","0.0008","13.5374","0.0009","16.931","0.0011","91.937","0.002","97.051","0.002","90.121","0.002","2850.8","0.3","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","trans-chlorohydridobis(1,2-bis(diphenylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane solvate","","- C65 H59 B Cl3 O4 P4 Rh -","- C65 H59 B Cl3 O4 P4 Rh -","- C130 H118 B2 Cl6 O8 P8 Rh2 -","2","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0591","0.0461","","","","0.1041","","","","","","1.139","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008476","13.932","0.0008","21.2938","0.001","25.5613","0.0014","90","","90","","90","","7583.1","0.7","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate","","- C68 H113 B Cl9 O4 P4 Rh -","- C68 H113 B Cl9 O4 P4 Rh -","- C272 H452 B4 Cl36 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0993","0.0858","","","","0.1783","","","","","","1.381","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008477","9.7315","0.0009","29.559","0.003","10.8716","0.001","90","","102.541","0.002","90","","3052.6","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylphosphine)rhodium(I) bis(catecholato)borate","","- C24 H44 B O4 P4 Rh -","- C24 H44 B O4 P4 Rh -","- C96 H176 B4 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0609","0.0365","","","","0.0815","","","","","","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008478","13.4442","0.0007","18.7746","0.001","24.5809","0.0012","90","","90","","90","","6204.5","0.6","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate","","- C24 H46 B O4 P4 Rh -","- C24 H46 B O4 P4 Rh -","- C192 H368 B8 O32 P32 Rh8 -","8","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.1043","0.0878","","","","0.1903","","","","","","1.448","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008479","10.387","0.001","10.248","0.001","13.857","0.003","90","","107.54","0.02","90","","1406.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","NA1384","Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Methyl-2'-nitrocinnamanilide","Acta Crystallographica Section C","1999","55","5","764","766","10.1107/S010827019801806X","","","0.71073","MoKα","","0.058","0.044","","0.124","0.113","","","","1.029","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008480","13.5557","0.0013","9.8241","0.0009","17.604","0.002","90","","90","","90","","2344.4","0.4","295","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichloro(pentamethylcyclopentadienyl)(2,6-diisopropylaniline)rhodium(III)","","- C22 H34 Cl2 N Rh -","- C22 H34 Cl2 N Rh -","- C88 H136 Cl8 N4 Rh4 -","4","1","NA1385","Lee, Soon W.; Lee, Jae-Gyung","Dichloro(2,6-diisopropylaniline-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III)","Acta Crystallographica Section C","1999","55","5","722","724","10.1107/S0108270198014693","","","0.71073","MoKα","","","0.0232","","","","0.0611","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008481","12.336","0.001","13.447","0.001","20.024","0.001","75.44","0.01","88.71","0.01","63.8","0.01","2869.6","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","A W-Ag-Se Cluster Compound, (μ~3~-bromine)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver)- ethanol [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","","- C56 H51 Ag3 Br O P3 Se4 W -","- C56 H51 Ag3 Br O P3 Se4 W -","- C112 H102 Ag6 Br2 O2 P6 Se8 W2 -","2","1","NA1390","Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun","A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","Acta Crystallographica Section C","1999","55","5","726","728","10.1107/S0108270199000207","","","0.71073","MoKα","","0.055","0.041","","","","0.107","","","","","","1.038","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008482","14.084","0.005","14.047","0.005","10.402","0.005","90","0.005","93.463","0.005","90","0.005","2054.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(N,N,N',N"",N""pentamethyldiethylenetriamine)iodoplatinum(II)] [tetraiodo-μ-,μ'-diiododiplatinate(II)]","","- C18 H46 I8 N6 Pt4 -","- C18 H46 I8 N6 Pt4 -","- C36 H92 I16 N12 Pt8 -","2","0.5","NA1394","Francesco P. Fanizzi; Francesco P. Intini; Luciana Maresca; Giovanni Natile; Concetta Pacifico","Bis[iodo(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine-κ^3^<i>N</i>)platinum(II)] di-μ-iodo-bis[diiodoplatinate(II)]","Acta Crystallographica Section C","1999","55","5","712","714","10.1107/S010827019801693X","","","0.71069","MoKα","","","0.043","","","","0.079","","","","","","0.841","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008483","10.386","0.001","22.501","0.001","11.114","0.001","90","","110.08","0.03","90","","2439.4","0.6","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl5 N3 O P3 -","- C15 H23 Cl5 N3 O P3 -","- C60 H92 Cl20 N12 O4 P12 -","4","1","NA1395","Hökelek, Tuncer; Kılıç, Adem; Begeç, Saliha; Kılıç, Zeynel","2,4,4,6,6-Pentachloro-2-(2,6-di-<i>tert</i>-butyl-4-methylphenoxy)cyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene","Acta Crystallographica Section C","1999","55","5","783","785","10.1107/S0108270198016941","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008484","8.4481","0.0001","16.4652","0.0001","16.814","0.0002","104.33","0.001","97.886","0.001","92.943","0.001","2235.74","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-di(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-8,9epoxy[2H]benzo [ 1,2-b]chromene","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","2","NA1398","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","5","768","770","10.1107/S0108270198018071","","","0.71073","MoKα","","0.118","0.049","","","","0.138","","","","","","0.884","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008485","22.07","0.02","4.419","0.006","22.29","0.03","90","","127.18","0.08","90","","1732","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(+)-(2R-cis)-10-Bromo-2,3,3a,8-tetrahydro- N,N-dimethyl-dibenz[c,f]isoxazolo[2,3-a]azepine-2-methanamine","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","NA1399","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter","(+)-(2<i>R</i>-<i>cis</i>)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[<i>c</i>,<i>f</i>]isoxazolo[2,3-<i>a</i>]azepin-2-ylmethyl)amine","Acta Crystallographica Section C","1999","55","5","794","796","10.1107/S0108270199000219","","","0.71073","MoKα","","0.0633","0.0365","","0.0908","","0.0908","","","1.056","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008486","6.376","0.0001","18.121","0.0002","10.6546","0.0001","90","","107.408","0.0001","90","","1174.65","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol","Acta Crystallographica Section C","1999","55","","774","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008487","9.8318","0.0001","9.9472","0.0002","14.2471","0.0003","73.852","0.008","86.554","0.009","78.916","0.001","1313.38","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5a,6,9,9a-pentahydro-5-hydroxy-6,9-methano-4-methoxyfluoreno[ 2,3-d]furan","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","2","NA1407","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-ol","Acta Crystallographica Section C","1999","55","5","774","776","10.1107/S0108270199001596","","","0.71073","MoKα","","0.142","0.058","","","","0.159","","","","","","0.906","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008488","10.762","0.002","10.96","0.002","7.16","0.001","100.76","0.01","97.53","0.01","115.33","0.01","728.5","0.2","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O3 Pd -","- C15 H16 N4 O3 Pd -","- C30 H32 N8 O6 Pd2 -","2","1","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.032","","","","0.035","","","","","","1.57","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008489","7.183","0.002","9.307","0.003","11.326","0.003","90","","105.73","0.02","90","","728.8","0.4","298.2","","298.2","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C15 H16 N4 Ni O3 -","- C14.5 H16 N4 Ni0.5 O2.5 -","- C29 H32 N8 Ni O5 -","2","0.5","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.043","","","","0.045","","","","","","1.674","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008490","7.145","0.004","32.419","0.009","5.142","0.002","90","","90","","90","","1191.1","0.9","298.2","","298.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,11-undecanediol","","","- C11 H24 O2 -","- C11 H24 O2 -","- C44 H96 O8 -","4","1","OB1004","Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya","1,11-Undecanediol","Acta Crystallographica Section C","1999","55","5","789","791","10.1107/S0108270198018253","","","1.5418","CuKα","","0.066","0.0499","","0.0771","0.07","","","","1.334","1.38","1.38","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008491","8.608","0.003","10.393","0.004","12.455","0.005","109.36","0.04","102.24","0.03","92.1","0.03","1020.4","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10- octahydroisobenzofuro[5,6-g][1,4]benzodioxin-7-one","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","OS1046","A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one","Acta Crystallographica Section C","1999","55","5","786","787","10.1107/S0108270198017296","","","0.71069","MoKα","","0.067","0.057","","","","0.141","","","","","","1.044","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008492","7.6235","0.0015","7.9661","0.0016","7.9712","0.0016","106.71","0.03","108.96","0.03","95.64","0.03","428.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","1","0.5","QA0091","Huai-Ming Hu; De-Liang Long; Hui-Yi Zeng; Wen-Dan Cheng; Jin-Shun Huang","A redetermination of bis(2-aminomethylpyridine)diperchloratocopper(II)","Acta Crystallographica Section C","1999","55","5","IUC9900049","","10.1107/S0108270199099485","","","0.71073","MoKα","","0.054","0.036","","","","0.083","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008493","14.06","0.0009","26.4879","0.0016","32.732","0.002","90","","90","","90","","12190","1.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","","- C9 H30 Cl2 N6 Ni O8 -","- C9 H30 Cl2 N6 Ni O8 -","- C216 H720 Cl48 N144 Ni24 O192 -","24","3","QA0097","Olof Kristiansson","Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","IUC9900038","","10.1107/S0108270199099539","","","0.71073","MoKα","","0.104","0.06","","","","0.195","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008494","7.4603","0.0005","9.5852","0.0006","10.4734","0.0006","90","","106.713","0.005","90","","717.3","0.08","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-aminothiazolino[3,2a]pyrimidin-5-one","","- C6 H7 N3 O S -","- C6 H7 N3 O S -","- C24 H28 N12 O4 S4 -","4","1","QA0108","Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo","7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section C","1999","55","5","IUC9900048","","10.1107/S0108270199099461","","","0.71073","MoKα","","0.054","0.038","","","","0.127","","","","","","1.32","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008495","11.586","0.001","15.48","0.002","15.408","0.001","90","","103.436","0.008","90","","2687.8","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-phenyl-3-trifluoromethyl-1-(2,4,6-trichlorophenyl)-1H- 1,2,4-triazolium hexachloroantimonate","","- C17 H12 Cl9 F3 N3 Sb -","- C17 H12 Cl9 F3 N3 Sb -","- C68 H48 Cl36 F12 N12 Sb4 -","4","1","QA0110","Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang","5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate","Acta Crystallographica Section C","1999","55","5","IUC9900047","","10.1107/S0108270199099473","","","0.7107","MoKα","","","0.03","","","0.038","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008496","10.649","0.002","5.8777","0.0016","14.8257","0.0015","90","","107.705","0.01","90","","884","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-dibenzenesulfonylputrescine","N-{4-[(benzenesulfonyl)amino]butyl}benzenesulfonamide","","- C16 H20 N2 O4 S2 -","- C16 H20 N2 O4 S2 -","- C32 H40 N4 O8 S4 -","2","0.5","QA0111","Linden, Anthony; Bienz, Stefan","<i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine","Acta Crystallographica Section C","1999","55","5","IUC9900046","","10.1107/S010827019909945X","","","0.71069","MoKα","","0.06","0.036","","","","0.105","","","","","","1.027","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008498","8.1864","0.0006","18.141","0.002","9.3307","0.0007","90","","103.662","0.006","90","","1346.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{[2-(1,5-diazacyclooctane)methyl phenol]copper}-di(μ-(end-on)azide)","","- C26 H38 Cu2 N10 O2 -","- C26 H38 Cu2 N10 O2 -","- C52 H76 Cu4 N20 O4 -","2","0.5","QB0072","Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan","Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)}","Acta Crystallographica Section C","1999","55","5","IUC9900044","","10.1107/S0108270199099515","","","0.71073","MoKα","","0.051","0.041","","0.065","0.05","","","","1.002","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008499","8.332","0.002","13.766","0.003","17.264","0.004","90","","90","0.03","90","","1980.2","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate","","- C20 H47 Cl4 N4 Na O25 Ru2 -","- C20 H46 Cl4 N4 Na O25 Ru2 -","- C40 H92 Cl8 N8 Na2 O50 Ru4 -","2","1","QB0080","Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo","Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate","Acta Crystallographica Section C","1999","55","5","IUC9900051","","10.1107/S0108270199099503","","","0.71073","MoKα","","0.023","0.023","","","","0.062","","","","","","1.082","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008500","6.318","0.004","15.69","0.04","11.161","0.006","90","","103.48","0.05","90","","1076","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-epoxy-7-oxo-7a-oxa-5β-cholanoic acid","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","QB0082","Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado","3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid","Acta Crystallographica Section C","1999","55","5","IUC9900043","","10.1107/S0108270199099448","","","0.71073","MoKα","","0.107","0.053","","","","0.155","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008501","10.361","0.01","13.044","0.01","18.806","0.006","90","","90","","90","","2542","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3β-Bromo-5α-spirostan-6,23-dione","","- C27 H39 Br O4 -","- C27 H39 Br O4 -","- C108 H156 Br4 O16 -","4","1","QB0083","Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado","(25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione","Acta Crystallographica Section C","1999","55","5","IUC9900042","","10.1107/S0108270199099436","","","0.71073","MoKα","","0.305","0.041","","","","0.107","","","","","","0.929","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008502","6.001","0.003","12.107","0.004","22.995","0.005","90","","90","","90","","1670.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-Ferrocenyl[methyl(1-phenyl-ethyl)amino]acetonitrile","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","QB0089","Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl","(<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile","Acta Crystallographica Section C","1999","55","5","IUC9900050","","10.1107/S0108270199099497","","","0.5","synchrotron","","0.032","0.029","","","","0.074","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008503","20.62","0.006","13.147","0.004","9.601","0.005","90","","101.14","0.03","90","","2553.7","1.7","293","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","QB0090","Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M.","(<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","5","IUC9900041","","10.1107/S0108270199099424","","","0.71073","MoKα","","0.084","0.051","","","","0.148","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008504","11.337","0.002","9.96","0.002","11.423","0.002","90","","117.15","0.01","90","","1147.7","0.4","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","QB0094","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","Acta Crystallographica Section C","1999","55","5","IUC9900039","","10.1107/S0108270199099412","","","0.71073","MoKα","","","0.065","","","","0.076","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008505","10.994","0.002","6.718","0.002","16.824","0.002","90","","102.59","0.01","90","","1212.7","0.4","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.054","","","","0.069","","","","","","1.31","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008506","7.186","0.001","18.104","0.002","9.569","0.002","90","","97.34","0.02","90","","1234.7","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.057","","","","0.074","","","","","","1.31","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008507","16.027","0.003","11.741","0.004","14.477","0.003","90","","102.56","0.01","90","","2659","1.2","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C96 H128 Br16 O16 -","8","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.055","","","","0.085","","","","","","1.88","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008508","7.228","0.002","15.875","0.003","5.851","0.002","99.57","0.03","98.31","0.03","77.2","0.02","641.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","1,7-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C24 H32 Br4 O4 -","2","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.041","","","","0.055","","","","","","1.23","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008509","21.797","0.004","17.904","0.004","12.497","0.002","90","","112.59","0.03","90","","4502.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(2,6-di(2-pyridyl)-pyridineN,N',N'') dicopper(II) tetraperchlorate","","- C38 H30 Cl4 Cu2 N10 O17 -","- C38 H30 Cl4 Cu2 N10 O17 -","- C152 H120 Cl16 Cu8 N40 O68 -","4","0.5","SK1194","Francese, Giancarlo; Schmalle, Helmut W.; Decurtins, Silvio","A copper(II) dimer: aqua(μ-2,2'-bipyrimidine-<i>N</i>,<i>N</i>')(perchlorato)bis{[2,6-bis(2-pyridyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)} triperchlorate","Acta Crystallographica Section C","1999","55","5","730","733","10.1107/S0108270199000530","","","0.71073","MoKα","","0.1036","0.0461","","","","0.1478","","","","","","1.029","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008510","12.9","0.002","18.135","0.002","21.822","0.004","90","","97.42","0.01","90","","5062.3","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-diethylthiocarbamoylthioacetato)-O:O']","","- C25 H27 N O2 S2 Sn -","- C25 H27 N O2 S2 Sn -","- C200 H216 N8 O16 S16 Sn8 -","8","2","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.1","0.058","","","","0.166","","","","","","1.009","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008511","17.019","0.002","18.466","0.002","18.921","0.002","71.952","0.007","72.482","0.008","73.333","0.009","5267.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[(triphenyltin-μ-N-methyl-N-phenyldithiocarbamoylacetato)-O:O']","","- C28 H25 N O2 S2 Sn -","- C28 H25 N O2 S2 Sn -","- C224 H200 N8 O16 S16 Sn8 -","8","4","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.097","0.052","","","","0.124","","","","","","1.002","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008512","9.7442","0.0003","9.8923","0.0005","13.3187","0.0004","107.064","0.004","95.246","0.003","97.153","0.004","1206.62","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(N,N-tetramethylenethiocarbamoylthioacetato)triphenyltin","","- C25 H25 N O2 S2 Sn -","- C25 H25 N O2 S2 Sn -","- C50 H50 N2 O4 S4 Sn2 -","2","1","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.024","0.021","","","","0.057","","","","","","1.003","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008513","7.654","0.002","11.578","0.002","17.771","0.003","90","","90","","90","","1574.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Polimeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^] dicadmium(II) Trihydrate","","- C8 H16 Cd2 O16 -","- C8 H8 Cd2 O16 -","- C32 H32 Cd8 O64 -","4","1","SK1241","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio","Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate","Acta Crystallographica Section C","1999","55","5","710","712","10.1107/S0108270199000542","","","0.71069","MoKα","","0.0285","0.028","","0.0717","","0.0717","","","1.204","","","1.204","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008514","6.8228","0.0001","7.1672","0.0002","31.9396","0.0006","90","","90","","90","","1561.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pipemidic Acid Hydrochloride","","- C14 H18 Cl N5 O3 -","- C14 H18 Cl N5 O3 -","- C56 H72 Cl4 N20 O12 -","4","1","SK1259","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng","Pipemidic acid hydrochloride","Acta Crystallographica Section C","1999","55","5","766","768","10.1107/S0108270198018277","","","0.71073","MoKα","","0.055","0.049","","","","0.13","","","","","","1.118","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008515","22.2132","0.0015","12.9986","0.0013","8.5456","0.0005","90","","96.107","0.005","90","","2453.5","0.3","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione","","- C10 H12 N4 O5 -","- C10 H12 N4 O5 -","- C80 H96 N32 O40 -","8","1","SK1260","Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","5","749","751","10.1107/S0108270198018290","","","0.71073","MoKα","","0.0765","0.0426","","","","0.1087","","","","","","1.025","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008516","11.9991","0.0002","9.0405","0.0002","12.0566","0.0002","90","","99.472","0.001","90","","1290.04","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","SK1261","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","Acta Crystallographica Section C","1999","55","5","772","774","10.1107/S0108270198018289","","","0.71073","MoKα","","0.092","0.057","","","","0.172","","","","","","0.981","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008517","11.5436","0.0004","18.282","0.0006","8.2935","0.0003","90","","107.141","0.001","90","","1672.52","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(p-Methoxyphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","SK1269","Hoong-Kun Fun; Kandasamy Chinnakali; Sichang Shao; Dunru Zhu; Xiao Zeng You","4-(<i>p</i>-Methoxyphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","770","772","10.1107/S0108270199001821","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.029","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008518","9.9485","0.0006","9.3724","0.0006","20.3571","0.0011","90","","98.605","0.006","90","","1876.8","0.2","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol‒1,10-phenanthroline (1/1).","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","SK1270","Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","2,2'-Biphenol‒1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π‒π stacking interactions","Acta Crystallographica Section C","1999","55","5","751","754","10.1107/S0108270199002942","","","0.7107","MoKα","","0.081","0.039","","","","0.107","","","","","","1.022","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008519","7.3635","0.0007","9.8643","0.001","11.4142","0.0015","110.845","0.008","99.069","0.012","92.998","0.009","759.83","0.16","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-Tetraazacyclotetradecane‒2,2'-biphenol (1/2)","","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","SK1271","Ferguson, George; Gregson, Richard M.; Glidewell, Christopher","A chain of fused <i>R</i>^2^~2~(10) and <i>R</i>^4^~6~(12) rings in the hydrogen-bonded structure of 1,4,8,11-tetraazacyclotetradecane‒2,2'-biphenol (1/2)","Acta Crystallographica Section C","1999","55","5","815","817","10.1107/S0108270199001833","","","0.71073","MoKα","","0.074","0.043","","","","0.111","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008520","12.748","0.002","6.11","0.003","14.87","0.006","90","","99.51","0.02","90","","1142.3","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dl-3-[[2,5-dihydro-3-methyl-2-oxo-5-furanyl]oxo]methylene-3,3a,6,6a- tetrahydro-2H-cyclopenta[b]furan-2-one","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","SX1062","Rugutt, Joseph K.; Fronczek, Frank R.; Yarabe, Houphouet H.; Shamsi, Shahab A.; Henry III, Charles W.; Billiot, Eugene J.; Warner, Isiah M.","A racemic strigol analogue at 100K","Acta Crystallographica Section C","1999","55","5","759","761","10.1107/S0108270199001341","","","0.71073","Mo-Kα","","0.063","0.05","","0.056","0.055","","","","1.992","1.976","1.976","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008521","21.205","0.004","37.941","0.008","12.227","0.002","90","","90","","90","","9837","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNLP","Theonellapeptolide-Id","","- C70 H149 N13 O28 -","- C70 H125 N13 O27.65 -","- C280 H500 N52 O110.6 -","4","1","SX1064","Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson","The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>","Acta Crystallographica Section C","1999","55","5","796","798","10.1107/S0108270198014383","","","1.5418","CuKα","","0.136","0.113","","","","0.287","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008522","5.869","0.001","22.53","0.003","8.753","0.001","90","","98.67","0.01","90","","1144.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PHTU","1-(2-Pyridyl)-3-phenylthiourea","","- C12 H11 N3 S -","- C12 H11 N3 S -","- C48 H44 N12 S4 -","4","1","SX1068","West, Douglas X.; Hermetet, Anne K.; Ackerman, Lily J.; Valdés-Martínez, Jesús; Hernández-Ortega, Simón","3-Phenyl-1-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","5","811","813","10.1107/S0108270198018083","","","0.71073","MoKα","","0.08","0.05","","","0.13","0.149","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008523","8.144","0.002","10.004","0.002","24.101","0.005","90","","90","","90","","1963.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","acetylated illustrol","3'-14-epoxy-4',15-dioxaandrost-5-en-3β-yl acetate","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","SX1075","Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A.","A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae)","Acta Crystallographica Section C","1999","55","5","827","829","10.1107/S0108270199000529","","","0.71073","MoKα","","0.067","0.045","","","","0.143","","","","","","1.069","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008524","10.399","0.003","14.467","0.005","14.216","0.006","90","","104.27","0.03","90","","2072.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cis-(Nitrato-O,O')(C-rac-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) Nitrate","","- C14 H32 N6 Ni O6 -","- C14 H32 N6 Ni O6 -","- C56 H128 N24 Ni4 O24 -","4","0.5","TA1219","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate","Acta Crystallographica Section C","1999","55","5","724","726","10.1107/S0108270198014449","","","0.71073","MoKα","","0.0435","0.0369","","","","0.1035","","","","","","1.075","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008525","10.594","0.002","7.461","0.004","22.92","0.005","90","","90","","90","","1811.6","1.1","153.2","","153.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 N4 O6 S -","- C2 H10 N4 O6 S -","- C16 H80 N32 O48 S8 -","8","1","BK1397","Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.","Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)","Acta Crystallographica Section C","1999","55","6","994","996","10.1107/S0108270198014619","","","0.7107","MoKα","","0.0411","0.023","","0.066","","0.034","","","2.217","","","2.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008526","13.702","0.003","14.167","0.003","10.598","0.002","90","","97.34","0.03","90","","2040.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Na2 O11 S2 -","- C13 H15 F3 Na2 O11 S2 -","- C52 H60 F12 Na8 O44 S8 -","4","1","BK1421","Wang, Feng; Qi, Yinghua; Chen, Tianlu; Xing, Yan; Lin, Yonghua; Xu, Jiping","Disodium 4,4'-difluoro-3,3'-carbonyldibenzenesulfonate hydrofluoride tetrahydrate","Acta Crystallographica Section C","1999","55","6","871","873","10.1107/S0108270198016710","","","0.71073","MoKα","","0.0553","0.0407","","0.1274","0.1216","","","","1.009","1.113","1.113","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008527","8.951","0.0018","10.8181","0.0016","16.585","0.003","77.735","0.014","81.298","0.016","73.906","0.015","1500.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(imidazole)nickel(II) oxydiacetate ethanol solvate","","- C24 H34 N12 Ni O6 -","- C23.04 H30.6 N12 Ni O5.52 -","- C46.08 H61.2 N24 Ni2 O11.04 -","2","1","BK1429","Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa","Hexakis(imidazole-<i>N</i>^3^)nickel(II) oxydiacetate ethanol solvate","Acta Crystallographica Section C","1999","55","6","858","860","10.1107/S0108270199001420","","","0.71073","MoKα","","0.076","0.049","","","","0.147","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008528","3.8724","0.0002","12.0839","0.0005","18.4079","0.0006","90","","91.412","0.002","90","","861.11","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","naphthalene-2,3-dicarbaldehyde","","- C12 H8 O2 -","- C12 H8 O2 -","- C48 H32 O8 -","4","1","BK1446","Britton, Doyle","Naphthalene-2,3-dicarbaldehyde","Acta Crystallographica Section C","1999","55","6","978","980","10.1107/S0108270199000840","","","0.71073","MoKα","","0.047","0.039","","0.108","0.101","","","","1.06","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008529","12.922","0.002","13.914","0.002","14.263","0.006","65.05","0.02","73.3","0.03","64.59","0.01","2082.4","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F3 N2 O8 Re S -","- C16 H8 F3 N2 O7.995 Re S -","- C64 H32 F12 N8 O31.98 Re4 S4 -","4","2","BK1449","Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B.","The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O","Acta Crystallographica Section C","1999","55","6","913","916","10.1107/S0108270199001432","","","0.7107","MoKα","","0.058","0.058","","0.075","0.075","","","","1.66","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008530","11.148","0.002","14.47","0.01","11.08","0.01","110.13","0.06","96.85","0.03","81.97","0.04","1657","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-[(2,6-dichlorophenyl)amino-phenyl(acetato-O,O')]-bis(acetone-O) -di-copper(II), acetaldeyde solvate","","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","1","0.5","BM1274","Castellari, Carlo; Feroci, Giorgio; Ottani, Stefano","Diclofenac interactions: tetrakis[μ-2-(2,6-dichloroanilino)phenylacetato]-1:2κ^8^<i>O</i>:<i>O</i>'-diacetone-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)(<i>Cu</i>—<i>Cu</i>) acetaldehyde solvate","Acta Crystallographica Section C","1999","55","6","907","910","10.1107/S0108270199002206","","","0.71069","MoKα","","0.137","0.042","","","","0.11","","","","","","0.902","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008531","13.82","0.001","9.3728","0.0011","15.308","0.0012","90","","92.144","0.002","90","","1981.5","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu I2 N2 O2 Zn -","- C17 H16 Cu I2 N2 O2 Zn -","- C68 H64 Cu4 I8 N8 O8 Zn4 -","4","1","BM1298","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","930","932","10.1107/S0108270199002851","","","0.71073","MoKα","","","0.04","","","0.044","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008532","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","","930","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008533","14.835","0.002","7.157","0.003","14.971","0.003","90","","103.05","0.04","90","","1548.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C68 H104 O8 -","2","1","BM1304","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara","Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate","Acta Crystallographica Section C","1999","55","6","992","994","10.1107/S0108270199002255","","","1.54178","CuKα","","0.1122","0.0539","","0.1716","0.1247","","","","0.822","1.048","1.048","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008534","7.9607","0.0002","9.9649","0.0002","14.2553","0.0003","86.208","0.001","79.818","0.001","73.889","0.001","1069.14","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C50 H48 O8 S2 -","2","1","BM1306","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1999","55","6","944","946","10.1107/S0108270199001791","","","0.71073","MoKα","","0.123","0.07","","","","0.195","","","","","","1.014","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008535","10.412","0.001","8.516","0.001","21.556","0.001","90","","101.223","0.01","90","","1874.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","BM1315","Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R","3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione","Acta Crystallographica Section C","1999","55","6","1027","1029","10.1107/S0108270199002267","","","0.71069","MoKα","","0.068","0.0521","","0.1674","","0.1516","","","1.049","","","1.093","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008536","11.662","0.005","14.323","0.007","8.7","0.004","90","0.03","94.57","0.04","90","0.03","1448.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","BM1318","Borbulevych, Oleg Ya.; Golding, Igor R.; Kharitonkin, Andrey B.; Shishkin, Oleg V.; Gololobov, Yuriy G.","The <i>N</i>-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","Acta Crystallographica Section C","1999","55","6","1019","1020","10.1107/S0108270199002218","","","0.71073","MoKα","","0.1255","0.0487","","0.1521","","0.1131","","","0.86","","","1.092","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008537","9.529","0.002","16.354","0.005","13.719","0.005","90","","105.13","0.01","90","","2063.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(n-butyl)(dichloro)(2,2'-bipyridyl)tin(IV)","","- C18 H26 Cl2 N2 Sn -","- C18 H26 Cl2 N2 Sn -","- C72 H104 Cl8 N8 Sn4 -","4","1","BM1319","Jennifer Gill; Hans Parge; Christine J. Cardin; Chris Tsiamis; Constantin Kavounis","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')di-<i>n</i>-butyldichlorotin(IV)","Acta Crystallographica Section C","1999","55","6","875","876","10.1107/S010827019900325X","","","0.71073","MoKα","","0.065","0.054","","","","0.158","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008538","6.142","0.001","6.142","0.001","14.395","0.002","90","","90","","120","","470.29","0.13","295","2","295","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","potassium oxo antimonide","","- K4 O3 Sb2 -","- K4 O3 Sb2 -","- K8 O6 Sb4 -","2","0.166667","BR1231","Tillard, Monique; Monconduit, Laure; Traber, Boris; Belin, Claude","K~4~Sb~2~O~3~ containing the Sb~2~O~3~^4-^ anion","Acta Crystallographica Section C","1999","55","6","833","835","10.1107/S0108270198018484","","","0.71073","MoKα","","0.086","0.048","","","","0.126","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008539","7.274","0.0011","7.2911","0.0011","18.551","0.003","96.375","0.009","90.714","0.009","119.656","0.008","847.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","sodium tungsten oxide","","- Na5 O44 W14 -","- Na5 O44 W14 -","- Na5 O44 W14 -","1","0.5","BR1234","Triantafyllou, Spyros T.; Christidis, Panayiotis C.","Triclinic sodium tungsten oxide, Na~5~W~14~O~44~","Acta Crystallographica Section C","1999","55","6","838","841","10.1107/S0108270199002760","","","0.7107","MoKα","","0.09","0.063","","","","0.159","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008540","5.221","0.001","9.983","0.001","7.388","0.001","90","","90.21","0.004","90","","385.07","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","sodium cobalt(II) phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co4 Na4 O16 P4 -","4","1","BR1238","Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren","A new modification of NaCoPO~4~ with the zeolite ABW structure","Acta Crystallographica Section C","1999","55","6","845","847","10.1107/S010827019900414X","","","0.71069","MoKα","","","0.0182","","","0.02","","","","","1.0847","1.0847","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008541","18.793","0.002","18.793","0.002","18.793","0.002","90","","90","","90","","6637.3","1.2","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C27 H36 Cl4 Fe2 N6 -","- C27 H36 Cl4 Fe2 N6 -","- C216 H288 Cl32 Fe16 N48 -","8","0.333333","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.088","0.063","","0.173","0.157","","","","1.094","1.165","1.165","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008542","24.309","0.005","13.543","0.003","41.392","0.008","90","","90","","90","","13627","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H37.5 Cu F12 N6.5 P2 -","- C28 H27.988 Cu F12 N6.5 P2 -","- C448 H447.808 Cu16 F192 N104 P32 -","16","2","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.124","0.066","","","","0.179","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008543","9.5694","0.001","12.0225","0.001","19.5555","0.001","103.82","0.01","91.434","0.01","110.249","0.01","2035.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-carbonyl[η^2^-dihydrobis(pyrazol-1-yl)borato]hydridobis- (triphenylarsino)ruthenium(II) monohydrate","","- C43 H41 As2 B N4 O2 Ru -","- C43 H39 As2 B N4 O2 Ru -","- C86 H78 As4 B2 N8 O4 Ru2 -","2","1","CF1291","Huh, Seong; Kim, Youngmee; Park, Seongsoon; Park, Tae-Jin; Jun, Moo-Jin","<i>trans</i>-Carbonyl[η^2^-dihydrobis(pyrazol-1-yl-<i>N</i>^2^)borato]hydridobis(triphenylarsine)ruthenium(II) monohydrate","Acta Crystallographica Section C","1999","55","6","850","852","10.1107/S0108270199002279","","","0.71073","MoKα","","0.0778","0.0463","","","","0.1526","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008544","6.377","0.002","6.972","0.003","10.514","0.016","90","","104.45","","90","","452.7","0.7","122","0.2","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-2-(4-Chlorophenoxy)propionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C18 H18 Cl2 O6 -","2","1","CF1292","Henning Osholm Sørensen; André Collet; Sine Larsen","(<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid","Acta Crystallographica Section C","1999","55","6","953","956","10.1107/S0108270199002280","","","1.54184","CuKα","","0.022","0.022","","","","0.062","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008545","7.898","0.002","10.188","0.003","7.064","0.002","95","0.02","92.92","0.02","105.17","0.02","544.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","μ-[N,N'-bis(3-aminopropyl)-oxamidato(2-)]-N,N',O':N'',N''',O-bis[(nitrato-O) (imidazole-N^3^)copper(II)]","","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","1","0.5","CF1295","Zhang, Cungen; Sun, Jie; Kong, Xiangfu; Zhao, Chengxue","An oxamidato-bridged binuclear imidazole‒copper(II) complex","Acta Crystallographica Section C","1999","55","6","873","875","10.1107/S0108270199001110","","","0.7107","MoKα","","","0.027","","","","0.04","","","","","","1.65","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008546","5.2624","0.0009","8.8737","0.0014","14.518","0.003","82.455","0.015","85.847","0.018","89.393","0.012","670.3","0.2","290","1","290","1","","","","","","","","4","P 1","P 1","1","","(2S,4S,5R)-(-)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3- oxazolidine","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","2","CF1298","Gallagher, John F.; Fitzsimons, Lavelle M.","Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","6","1000","1003","10.1107/S0108270199002292","","","0.7107","MolybdenumKα","","0.078","0.052","","","","0.137","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008547","7.281","0.002","16.084","0.007","12.849","0.006","90","","100.51","0.02","90","","1479.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-bis[2-(2-hydroxymethyl)-1-methylimidazole-N^3^]zinc(II)","","- C10 H16 Cl2 N4 O2 Zn -","- C10 H16 Cl2 N4 O2 Zn -","- C40 H64 Cl8 N16 O8 Zn4 -","4","1","CF1299","Yang, Shi-Ping; Long, La-Sheng; Chen, Xiao-Ming; Ji, Liang-Nian","Dichlorobis(2-hydroxymethyl-1-methylimidazole-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1999","55","6","869","871","10.1107/S0108270199002309","","","0.71073","MoKα","","0.099","0.06","","","","0.166","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008548","8.7836","0.0006","16.5431","0.0013","15.5118","0.0011","90","","93.117","0.006","90","","2250.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8b,8c-dibenzoyl-4b,8b,8c,8d-tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-4b -carbaldehyde","","- C31 H20 O3 -","- C31 H20 O3 -","- C124 H80 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.078","0.057","","","","0.175","","","","","","1.073","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008549","9.0656","0.0015","8.779","0.003","29.758","0.005","90","","94.672","0.013","90","","2360.5","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4b-acetyl-8b,8c-dibenzoyl-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C32 H22 O3 -","- C32 H22 O3 -","- C128 H88 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.22","0.077","","","","0.184","","","","","","1.04","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008550","16.8684","0.0001","15.3955","0.0001","17.52","0.0002","90","","90","","90","","4549.9","0.07","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C30 H19 N O4 -","- C30 H19 N O4 -","- C240 H152 N8 O32 -","8","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.061","0.045","","","","0.11","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008551","16.6439","0.0006","17.9178","0.0008","8.3487","0.0003","90","","94.963","0.005","90","","2480.43","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10c-benzoyl-6b-tert-butyl-2-phenyl-10b,10c-dihydro-6bH-dibenzo[a,f]furo[2,3,4- cd]pentalene","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.05","0.042","","","","0.124","","","","","","1.062","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008552","5.925","0.002","8.321","0.001","16.126","0.003","103.41","0.01","98.85","0.02","99.51","0.02","747.3","0.3","293","2","300","","","","","","","","","4","P -1","-P 1","2","Indole","Ethyl 1-2'-Cyanoethyl-3,5-Dimethyl-2-Indolecarboxylate","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","DA1055","T. N. Chandrakantha; Puttaraja; M. K. Kokila; N. C. Shivaprakash","Ethyl 1-(2-cyanoethyl)-3,5-dimethyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section C","1999","55","6","990","992","10.1107/S0108270199001973","","","1.5418","CuKα","","0.0855","0.0636","","0.1824","0.1476","","","","1.101","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008553","8.401","0.001","10.704","0.001","9.325","0.001","90","","104.96","0.01","90","","810.12","0.15","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(trigonelline)-dichlorocopper(II)","","- C14 H14 Cl2 Cu N2 O4 -","- C14 H14 Cl2 Cu N2 O4 -","- C28 H28 Cl4 Cu2 N4 O8 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.044","","","0.045","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008554","10.156","0.002","13.883","0.002","7.793","0.001","99.4","0.01","109.29","0.01","75.57","0.01","1000.4","0.3","299","","","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ-trigonelline-O,O')-dichlorocopper(II) dichloride octahydrate","","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","1","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008555","10.431","0.002","17.795","0.003","10.685","0.002","90","","114.4","0.01","90","","1806.2","0.6","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)","","- C36 H38 Cu2 N6 O8 -","- C36 H38 Cu2 N6 O8 -","- C72 H76 Cu4 N12 O16 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.052","","","0.043","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008556","9.849","0.002","10.8","0.002","25.682","0.003","90","0.01","90","0.01","90","0.01","2731.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2^'^,3^'^,5^'^-Tri-O-Benzoylinosine","","- C31 H24 N4 O8 -","- C31 H24 N4 O8 -","- C124 H96 N16 O32 -","4","1","DE1094","S.Kolappan; T. Parthasarathy Seshadri","2',3',5'-Tri-<i>O</i>-benzoylinosine","Acta Crystallographica Section C","1999","55","6","986","987","10.1107/S0108270198014668","","","1.5418","CuKα","","0.0456","0.0327","","","","0.1167","","","","","","0.691","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008557","9.296","0.002","10.524","0.003","11.044","0.003","113.89","0.02","100.15","0.02","109.75","0.02","866.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","","- C19 H16 Cl2 N2 O -","- C19 H16 Cl2 N2 O -","- C38 H32 Cl4 N4 O2 -","2","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","0.71073","MoKα","","0.101","0.067","","","","0.15","","","","","","1.232","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008558","5.72","0.001","12.085","0.004","26.654","0.004","90","","91.78","0.02","90","","1841.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","1.5418","CuKα","","0.049","0.043","","","","0.127","","","","","","1.138","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008559","4.586","0.002","12.843","0.004","9.767","0.001","90","","133.98","0.02","90","","413.9","0.3","296.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","1","DE1103","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga","5-Methyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","6","1014","1016","10.1107/S0108270199002437","","","0.7107","MoKα","","","0.04","","","","0.052","","","","","","1.859","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008560","6.069","0.007","7.829","0.002","13.455","0.003","90","","91.76","0.03","90","","639","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethylene bis(dimethyldithiocarbamate)","","- C8 H16 N2 S4 -","- C8 H16 N2 S4 -","- C16 H32 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0687","0.041","","","","0.0954","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008561","7.4875","0.0001","7.4424","0.0002","13.7568","0.0003","90","","97.536","0.001","90","","759.98","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butylene bis(dimethyldithiocarbamate)","","- C10 H20 N2 S4 -","- C10 H20 N2 S4 -","- C20 H40 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0309","0.0268","","","","0.0754","","","","","","1.103","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008562","6.2578","0.0005","16.352","0.001","14.819","0.001","90","","91.255","0.001","90","","1516.03","0.18","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H24 Co N2 O14 P2 -","- C2 H22 Co N2 O14 P2 -","- C8 H88 Co4 N8 O56 P8 -","4","1","FR1152","Yongkui Shan; Songping D. Huang","(C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network","Acta Crystallographica Section C","1999","55","6","921","923","10.1107/S0108270199001584","","","0.7107","MoKα","","0.061","0.034","","0.051","","0.044","","","1.024","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008563","8.9034","0.0012","10.0168","0.0011","16.709","0.0012","73.579","0.002","74.837","0.003","65.376","0.002","1281.6","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Cu I2 N3 O2 Zn -","- C24 H21 Cu I2 N3 O2 Zn -","- C48 H42 Cu2 I4 N6 O4 Zn2 -","2","1","FR1157","Ercan, Filiz; Arıcı, Cengiz; Akay, Abdülkadir; Atakol, Orhan; Ülkü, Dinc̨er","{[μ-Bis(salicylidene)-1,3-propanediaminato]-(3-methylpyridine)copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","925","928","10.1107/S0108270199003273","","","0.71073","MoKα","","","0.032","","","0.039","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008564","8.2202","0.0003","18.2074","0.0006","11.9429","0.0004","90","","93.079","0.001","90","","1784.9","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aminoguanidinium (N,N'-ethylenediaminetetraacetato)antimonate(III) hydrate","","- C11 H21 N6 O9 Sb -","- C11 H21 N6 O9 Sb -","- C44 H84 N24 O36 Sb4 -","4","1","FR1177","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Abdul Razak, Ibrahim; Ilyukhin, Andrey B.; Davidovich, Ruven L.; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng","Aminoguanidinium (ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)antimonate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","905","907","10.1107/S0108270199002310","","","0.71073","MoKα","","0.026","0.021","","","","0.051","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008565","6.8822","0.0008","8.9557","0.001","11.0364","0.0012","98.765","0.002","92.365","0.002","98.66","0.002","663.18","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone","","- C15 H9 F5 N2 O -","- C15 H9 F5 N2 O -","- C30 H18 F10 N4 O2 -","2","1","FR1178","Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer","4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone","Acta Crystallographica Section C","1999","55","6","975","978","10.1107/S0108270199002541","","","0.7093","MolybdenumKα","","","0.058","","","","0.075","","","","","","1.19","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008566","11.1445","0.0007","11.7843","0.0007","14.0877","0.0009","90","","95.819","0.001","90","","1840.6","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N2 P -","- C23 H19 N2 P -","- C92 H76 N8 P4 -","4","1","","Filippo Minutolo; Scott R. Wilson; John A. Katzenellenbogen","Crystallographic evidence for the electronic distribution in (2,4-cyclopentadien-1-ylidenehydrazono)triphenylphosphorane","Acta Crystallographica Section C","1999","55","6","1016","1016","","","","","","","","0.033","","","0.0651","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008567","8.438","0.002","27.496","0.001","4.894","0.001","90","","117.38","0.02","90","","1008.3","0.4","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","quinolinium-4-carboxylate dihydrate","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","FR1183","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate dihydrate","Acta Crystallographica Section C","1999","55","6","935","937","10.1107/S0108270199002565","","","0.71073","MoKα","","","0.032","","","0.055","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008568","7.714","0.002","17.848","0.002","6.91","0.002","90","","107.34","0.02","90","","908.1","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","naphthalene-1,2-dicarboxylic anhydride","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","1","FR1187","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride","Acta Crystallographica Section C","1999","55","6","937","940","10.1107/S0108270199002577","","","0.71073","MoKα","","","0.045","","","","0.052","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008569","7.937","0.003","37.789","0.004","9.696","0.003","90","","90","","90","","2908.1","1.5","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate","","","- C13 H7 K3 O7 -","- C13 H7 K3 O7 -","- C104 H56 K24 O56 -","8","1","FR1190","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate","Acta Crystallographica Section C","1999","55","6","918","921","10.1107/S0108270199002966","","","0.71073","MoKα","","","0.044","","","","0.074","","","","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008570","8.8712","0.0018","10.2642","0.0012","14.4412","0.0009","98.78","0.005","92.483","0.009","104.804","0.014","1251.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)","","- C24 H21 Cl Cu N4 O11 -","- C24 H21 Cl Cu N4 O11 -","- C48 H42 Cl2 Cu2 N8 O22 -","2","1","GD1017","Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras","[CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]","Acta Crystallographica Section C","1999","55","6","878","880","10.1107/S0108270199001122","","","1.54184","CuKα","","0.057","0.041","","","","0.12","","","","","","1.08","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008571","12.694","0.005","16.353","0.005","11.122","0.003","90","","90","","90","","2308.8","1.3","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rubidium molybdyl arsenate","","- As Mo O6 Rb -","- As Mo O6 Rb -","- As16 Mo16 O96 Rb16 -","16","0.5","GS1008","Zid, Mohamed Faouzi; Jouini, Tahar","RbMoO~2~AsO~4~","Acta Crystallographica Section C","1999","55","6","843","845","10.1107/S0108270198016102","","","0.71069","MoKα","","0.0335","0.024","","0.0674","0.0553","","","","1.173","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008572","5.763","0.001","10.153","0.002","12.022","0.002","83.37","0.01","86.46","0.01","78.83","0.01","684.9","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O S -","- C16 H18 O S -","- C32 H36 O2 S2 -","2","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.103","0.042","","","","0.115","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008573","9.763","0.001","12.097","0.002","12.164","0.001","90","","107.292","0.008","90","","1371.7","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.15","0.05","","","","0.165","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008574","7.7541","0.0013","14.4655","0.0019","31.108","0.005","90","","90","","90","","3489.3","0.9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(2S,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.073","0.044","","","","0.127","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008575","7.5238","0.0005","10.9972","0.0008","20.9169","0.0019","90","","90","","90","","1730.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C72 H76 Cl4 N16 O8 -","4","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.105","0.053","","","","0.137","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008576","10.045","0.003","14.347","0.005","15.606","0.006","99.24","0.02","100.22","0.02","108.76","0.02","2037.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(3,3'-dimethylene-2,2'-biquinoline)bromotricarbonylrhenium(I)","","- C23 H14 Br N2 O3 Re -","- C23 H14 Br N2 O3 Re -","- C92 H56 Br4 N8 O12 Re4 -","4","2","HA1240","Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio","Bromotricarbonyl(3,3'-dimethylene-2,2'-biquinoline)rhenium(I)","Acta Crystallographica Section C","1999","55","6","932","934","10.1107/S0108270198017181","","","0.71073","MoKα","","0.059","0.036","","","","0.077","","","","","","1.064","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008577","6.88","0.0008","13.8033","0.0009","29.389","0.002","90","0.01","90","0.01","90","0.01","2791","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olean-12-en[2,3-d]isoxazole-28-oic acid methyl ester","","- C32 H47 N O3 -","- C32 H47 N O3 -","- C128 H188 N4 O12 -","4","1","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0398","0.0353","","0.1034","0.0994","","","","1.035","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008578","6.5284","0.001","30.614","0.002","13.5481","0.001","90","0.01","101.31","0.01","90","0.01","2655.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","19β,28-Epoxy-18Hα-oleanan[2,3-d]isoxazole","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","2","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0481","0.0361","","0.1045","0.0997","","","","1.003","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008579","6.425","0.001","7.895","0.001","21.883","0.002","90","","95.5","0.01","90","","1104.9","0.2","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S,5S,6S)-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-2-cyano-endo-6- hydroxy-exo-5-iodobicyclo[2.2.1]heptane-endo-2-carboxylic Acid Lactone.","","- C25 H24 I N O4 -","- C25 H24 I N O4 -","- C50 H48 I2 N2 O8 -","2","1","JZ1323","Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-<i>exo</i>-2-Cyano-<i>exo</i>-3-[(<i>S</i>)-1,2-dibenzyloxyethyl]-<i>exo</i>-5-iodobicyclo[2.2.1]heptane-<i>endo</i>-2,6-carbolactone","Acta Crystallographica Section C","1999","55","6","1009","1012","10.1107/S010827019900222X","","","0.71073","MoKα","","","0.0384","","","","0.0969","","","","","","1.017","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008580","10.503","0.001","13.889","0.002","10.678","0.001","90","","90.68","0.02","90","","1557.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cyclo-tri-μ-methoxo-tris(dichloroaluminium)","","- C3 H9 Al3 Cl6 O3 -","- C3 H9 Al3 Cl6 O3 -","- C12 H36 Al12 Cl24 O12 -","4","1","KA1308","Gelbrich, Thomas","A trimeric aluminium alkoxide: methoxyaluminium dichloride","Acta Crystallographica Section C","1999","55","6","856","858","10.1107/S0108270199000505","","","0.71073","MoKα","","0.066","0.034","","","","0.099","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008581","15.21","0.002","5.539","0.0006","17.192","0.002","90","","134.45","0.01","90","","1034","0.3","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetraphenylpyrazine (α form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.06","","","0.137","","","","","","","1.9","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008582","18.654","0.003","23.509","0.002","9.576","0.001","90","","92.18","0.01","90","","4196.4","0.9","291","","291","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3,5,6-tetraphenylpyrazine (β form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C224 H160 N16 -","8","1","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.057","","","0.077","","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008583","7.904","0.005","8.899","0.006","9.335","0.007","108.26","0.04","112.63","0.03","91.41","0.03","567.6","0.7","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[bis[μ-(2,6-dimethylpiperidinido)-N:N]dilithium]-μ-(N,N,N',N'- tetramethylethylenediamine-N:N')]","","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","1","0.5","LN1078","Clegg, William; Horsburgh, Lynne; Couper, Scott A.; Mulvey, Robert E.","<i>catena</i>-Poly[[bis(μ-2,6-dimethylpiperidinido-<i>N</i>:<i>N</i>)dilithium]-μ-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>:<i>N</i>')]","Acta Crystallographica Section C","1999","55","6","867","869","10.1107/S0108270199001171","","","0.71073","MoKα","","0.05","0.038","","","","0.109","","","","","","1.027","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008584","9.733","0.003","17.579","0.004","13.016","0.003","90","","97.12","0.02","90","","2209.8","1","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Mo N2 -","- C22 H32 Mo N2 -","- C88 H128 Mo4 N8 -","4","1","LN1081","Clegg, William; Elsegood, Mark R. J.; Dyer, Philip W.; Gibson, Vernon C.; Marshall, Edward L.","Dibenzylbis(<i>tert</i>-butylimido)molybdenum(VI), containing both η^1^- and η^2^-benzyl ligands","Acta Crystallographica Section C","1999","55","6","916","918","10.1107/S0108270199003510","","","0.71073","MoKα","","0.02","0.018","","","","0.051","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008585","9.003","0.005","12.699","0.003","20.522","0.008","90","","90","","90","","2346.3","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","melaniline","N,N' diphenyl guanidine","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","NA1391","Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.","A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine","Acta Crystallographica Section C","1999","55","6","1037","1040","10.1107/S0108270199002462","","","0.71073","MoKα","","0.0628","0.0364","","","","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008586","15.67","0.004","10.556","0.002","12.258","0.004","90","","96.1","0.01","90","","2016.1","0.9","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2R,3R)-5-(N-benzyl-N-methylamino)-2-[N-(4-methoxyphenyl)carbamoyl]-4-nitro-2-phenyl-2,3-dihydro-3-thienyl]-1,2,3,4,5-penta-O-acetyl-D-manno-pentitol","","- C41 H45 N3 O14 S -","- C41 H45 N3 O14 S -","- C82 H90 N6 O28 S2 -","2","1","NA1392","María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido","Study of a diastereoisomeric dihydrothiophene derivative at 150K","Acta Crystallographica Section C","1999","55","6","1020","1023","10.1107/S010827019900102X","","","0.71073","MoKα","","0.047","0.042","","0.124","0.119","","","","1.047","1.054","1.054","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008587","7.32","0.004","20.15","0.005","10.448","0.003","90","","103.33","0.04","90","","1499.5","1","299","3","299","3","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Disodium hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate(2-) tetrahydrate","","- C20 H28 Co Na2 O26 -","- C20 H28 Co Na2 O26 -","- C40 H56 Co2 Na4 O52 -","2","0.25","NA1397","Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate","Acta Crystallographica Section C","1999","55","6","911","913","10.1107/S0108270199002498","","","0.71069","MoKα","","0.057","0.045","","0.1207","","0.1159","","","0.945","","","0.987","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008588","5.4931","0.0001","22.2521","0.0003","11.035","0.0002","90","","104.23","0.001","90","","1307.45","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C56 H52 I4 O12 -","4","1","NA1400","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","6","946","948","10.1107/S0108270199002036","","","0.71073","MoKα","","0.06","0.053","","","","0.151","","","","","","1.208","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008589","13.6977","0.0005","19.8307","0.0008","12.7594","0.0008","90","","90","","90","","3465.9","0.3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S,3R)-Carpropamide","","","- C15 H18 Cl3 N O -","- C15 H18 Cl3 N O -","- C120 H144 Cl24 N8 O8 -","8","2","NA1401","Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi","Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid","Acta Crystallographica Section C","1999","55","6","1025","1027","10.1107/S0108270199002504","","","0.7107","MoKα","","0.0952","0.0552","","","","0.0671","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008590","7.3993","0.0002","8.9006","0.0002","11.7469","0.0003","101.651","0.001","100.54","0.001","93.448","0.001","741.11","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(di-2-pyridylamine-N,N')(propionato-O,O')copper(II) Monohydrate","","- C13 H16 Cl Cu N3 O3 -","- C13 H16 Cl Cu N3 O3 -","- C26 H32 Cl2 Cu2 N6 O6 -","2","1","NA1404","Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun","Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","1999","55","6","899","901","10.1107/S0108270199002048","","","0.71073","MoKα","","0.037","0.031","","","","0.087","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008591","13.088","0.001","8.765","0.001","18.717","0.001","90","","97.77","0.01","90","","2127.4","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N12 P4 -","- C34 H72 N12 P4 -","- C68 H144 N24 P8 -","2","0.5","NA1406","Hökelek, Tuncer; Kılıç, Emine; Kılıç, Zeynel","<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexapiperidinocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1999","55","6","983","985","10.1107/S0108270199002474","","","0.71073","MoKα","","","0.037","","","","0.053","","","","","","1.2","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008592","15.578","0.001","22.428","0.001","19.406","0.001","90","","108.83","0.01","90","","6417.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2'-formylphenyl)-1,4-dioxabutane S-methylbenzyl dithiocarbazate Cobalt(II)","","- C32 H28 Co N4 O2 S4 -","- C32 H28 Co N4 O2 S4 -","- C256 H224 Co8 N32 O16 S32 -","8","1","NA1408","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You","A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors","Acta Crystallographica Section C","1999","55","6","896","899","10.1107/S0108270199001602","","","0.71073","MoKα","","0.133","0.059","","0.109","","0.087","","","1.036","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008593","7.3875","0.0002","12.4718","0.0003","14.8382","0.0004","90","","96.727","0.001","90","","1357.71","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","NA1409","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang","<i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","6","942","944","10.1107/S0108270199002486","","","0.71073","MoKα","","0.0722","0.0485","","","","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008594","18.46","0.004","6.552","0.0005","32.603","0.007","90","","103.34","0.01","90","","3836.9","1.2","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetraphenylphosphonium tetra(1-methyl-1,2,3,4-tetrazol-5-thiolato)aurate(III)","","- C32 H33 Au N16 O0.5 P S4 -","- C32 H33 Au N16 O0.5 P S4 -","- C128 H132 Au4 N64 O2 P4 S16 -","4","0.5","NA1415","Schulz Lang, Ernesto; Dahmer, Marisa; Abram, Ulrich","Tetraphenylphosphonium tetrakis(1-methyl-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)aurate(III) hemihydrate","Acta Crystallographica Section C","1999","55","6","854","856","10.1107/S0108270199004357","","","0.71073","MoKα","","0.043","0.024","","","","0.06","","","","","","1.056","","","","has coordinates,has Fobs","188927","2020-10-21","18:00:00",""
"2008595","7.208","0.002","6.291","0.004","14.432","0.005","90","","104.04","0.02","90","","634.9","0.5","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(2'-hydroxyphenylamino)-5,5-dimethyl-2-cyclohexenone","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","NA1416","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano","3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section C","1999","55","6","1029","1031","10.1107/S0108270199004369","","","1.54184","CuKα","","0.044","0.043","","0.133","","0.133","","","1.139","","","1.139","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008596","24.0723","0.0005","6.6483","0.0001","5.3569","0.0001","90","","90","","90","","857.32","0.03","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","OA1071","Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu","γ-Mo~4~O~11~","Acta Crystallographica Section C","1999","55","6","841","843","10.1107/S0108270199000165","","","0.71073","MoKα","","0.039","0.038","","0.093","0.092","","","","1.293","1.292","1.292","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008597","7.712","0.005","9.617","0.005","16.155","0.003","90","","101.88","0.03","90","","1172.5","1","173.2","","173.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-t-butyl-3-(N,N-dimethylcarbamoyl)pyridine","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C48 H72 N8 O4 -","4","1","OA1072","Yuji Mikata; Ryoko Maesaki","Unexpectedly produced 2-<i>tert</i>-butyl-5-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine from 2-chloro-3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine with a <i>tert</i>-butyl Grignard reagent","Acta Crystallographica Section C","1999","55","6","973","975","10.1107/S0108270198013079","","","0.7107","MoKα","","0.0586","0.0512","","0.0907","0.0847","","","","1.419","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008598","6.8422","0.0008","12.4","0.001","12.609","0.001","90","","94.825","0.008","90","","1066","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-allyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C9 H17 N O3 Si -","- C9 H17 N O3 Si -","- C36 H68 N4 O12 Si4 -","4","1","OA1074","White, Jonathan M.; Jones, Scott","Low-temperature structure of allyl silatrane","Acta Crystallographica Section C","1999","55","6","962","963","10.1107/S0108270199002371","","","0.71069","MoKα","","0.03","0.028","","","","0.074","","","","","","1.059","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008599","9.6615","0.001","9.7829","0.001","18.4857","0.001","101.784","0.01","96.993","0.01","115.568","0.01","1498.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]cobalt(II)","","- C34 H28 Cl2 Co Fe P2 -","- C34 H28 Cl2 Co Fe P2 -","- C68 H56 Cl4 Co2 Fe2 P4 -","2","1","OB1001","Park, Tae-Jin; Huh, Seong; Kim, Youngmee; Jun, Moo-Jin","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]cobalt(II)","Acta Crystallographica Section C","1999","55","6","848","850","10.1107/S0108270199001183","","","0.71073","MoKα","","0.078","0.036","","","","0.095","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008600","9.641","0.004","10.251","0.004","13.893","0.005","90","","101","0.03","90","","1347.8","0.9","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O7 -","- C26 H32 N2 O7 -","- C52 H64 N4 O14 -","2","1","OB1005","Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima","<i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester","Acta Crystallographica Section C","1999","55","6","1023","1025","10.1107/S0108270199002449","","","0.7107","MoKα","","","0.039","","","0.042","","","","","1.962","1.962","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008601","9.713","0.002","12.079","0.003","7.716","0.002","93.11","0.02","106.85","0.02","81.92","0.02","857.7","0.4","224.4","","","","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-8-quinolinolate)tin(II)","","- C20 H16 N2 O2 Sn -","- C20 H16 N2 O2 Sn -","- C40 H32 N4 O4 Sn2 -","2","1","OB1007","Kitamura, Chitoshi; Yoneda, Akio; Sugiura, Ken-ichi; Sakata, Yoshiteru","Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)tin(II)","Acta Crystallographica Section C","1999","55","6","876","878","10.1107/S0108270199002887","","","0.7107","MoKα","","0.034","0.031","","0.089","","0.089","","","1.551","","","1.551","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008602","11.6141","0.0015","15.9238","0.0014","15.115","0.002","90","","100.31","0.01","90","","2750.2","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B9 P -","- C25 H38 B9 P -","- C100 H152 B36 P4 -","4","1","OS1036","Sillanpää, Reijo; Pedrajas, Josefina; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","(PMePh~3~)(7,8-Et~2~-7,8-<i>nido</i>-C~2~B~9~H~10~)","Acta Crystallographica Section C","1999","55","6","1008","1009","10.1107/S0108270199002516","","","0.71069","MoKα","","0.1762","0.0657","","","","0.1491","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008603","9.3229","0.0003","9.2536","0.0001","14.0823","0.0004","90","","90","","90","","1214.89","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","μ-oxalato-O,O',O'', O''')(2,2'-bipyridine-N,N')Fe(II)","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C48 H32 Fe4 N8 O16 -","4","1","OS1041","Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan","<i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato]","Acta Crystallographica Section C","1999","55","6","903","905","10.1107/S0108270199001924","","","0.71073","MoKα","","0.13","0.057","","0.092","0.072","","","","1.112","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008604","9.8412","0.0006","15.6366","0.0007","9.4044","0.0005","90","","90","","90","","1447.18","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6,7-dihydroxy-1-(2-methoxypropyl)-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C13 H22 Cl N O4 -","- C13 H22 Cl N O4 -","- C52 H88 Cl4 N4 O16 -","4","1","OS1043","Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta","X-ray investigations of potential β-blockers. IV","Acta Crystallographica Section C","1999","55","6","1003","1005","10.1107/S0108270199002383","","","1.54178","CuKα","","0.035","0.029","","","","0.08","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008605","6.9675","0.0001","9.5232","0.0002","11.0979","0.0003","97.556","0.001","104.298","0.001","95.403","0.001","701.2","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","OS1044","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","5-(2-Chlorophenyl)-4-phenyl-3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section C","1999","55","6","951","953","10.1107/S0108270199002796","","","0.71073","MoKα","","0.052","0.041","","","","0.109","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008606","9.4282","0.0011","18.717","0.0012","19.6325","0.0012","90","","103","0.002","90","","3375.7","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 I2 N4 Ni O2 Zn -","- C31 H34 I2 N4 Ni O2 Zn -","- C124 H136 I8 N16 Ni4 O8 Zn4 -","4","1","OS1045","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Akay, Abdülkadir; Ülkü, Dinçer","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(3,5-dimethylpyridine)nickel(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","928","930","10.1107/S0108270199002802","","","0.71073","MoKα","","","0.025","","","0.033","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008607","7.2691","0.0007","10.4214","0.0013","16.868","0.002","90","","90","","90","","1277.8","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-3-methyl-1-butanol-(2S,3S)-hydrogen-tartrate monohydrate","","- C9 H21 N O8 -","- C9 H21 N O8 -","- C36 H84 N4 O32 -","4","1","OS1047","Bruun, Rikke Mattsson; Larsen, Sine","(<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate","Acta Crystallographica Section C","1999","55","6","956","958","10.1107/S0108270199003042","","","1.54184","CuKα","","0.0262","0.0256","","","","0.0731","","","","","","1.077","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008608","9.7934","0.0002","9.5005","0.0001","15.2958","0.0001","90","","102.297","0.001","90","","1390.5","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-methyl-3-(2-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.119","0.056","","","","0.163","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008609","24.482","0.0012","7.5509","0.0004","7.506","0.0004","90","","90","","90","","1387.57","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-methyl-3-(4-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.064","0.048","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008610","6.573","0.005","10.687","0.005","30.531","0.005","90","","90","","90","","2144.7","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-dicholoro-5-nitrobenzoic sodium dihydrate","","- C7 H6 Cl2 N Na O6 -","- C7 H6 Cl2 N Na O6 -","- C56 H48 Cl16 N8 Na8 O48 -","8","1","QA0071","Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago","Sodium 2,4-dichloro-5-nitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","6","IUC9900056","","10.1107/S0108270199099382","","","0.71069","MoKα","","0.122","0.057","","0.197","0.138","","","","1.204","1.266","1.266","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008611","7.507","0.001","7.507","0.001","7.507","0.001","92.29","0.02","92.29","0.02","92.29","0.02","422.02","0.1","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","Sodium iodide tris(1,4-dioxane)","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","1","0.166667","QA0095","Belsky, Vitaly K.; Maslennikova, Vera I.","Sodium tris(1,4-dioxane) iodide","Acta Crystallographica Section C","1999","55","6","IUC9900057","","10.1107/S0108270199099370","","","0.71073","MoKα","","0.022","0.022","","","","0.063","","","","","","1.108","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008612","8.1525","0.0005","7.9948","0.0005","12.7269","0.0006","90","","108.008","0.004","90","","788.87","0.08","293","2","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","Bis(3-acetylamino-1,2,4-triazole-O,N^4^) dinitratocopper (II)","","- C8 H12 Cu N10 O8 -","- C8 H12 Cu N10 O8 -","- C16 H24 Cu2 N20 O16 -","2","0.5","QA0112","Virovets, Alexander V.; Naumov, Dmitry Yu.; Lavrenova, Ludmila G.; Bushuev, Mark B.","Bis(3-acetylamino-1,2,4-triazole-<i>O</i>,<i>N</i>^4^)bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","6","IUC9900059","","10.1107/S0108270199099357","","","0.71069","MoKα","","0.04","0.034","","","","0.104","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008613","6.676","0.001","5.567","0.0009","11.471","0.003","90","","103.88","0.04","90","","413.87","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Dimethyl-2,2'-biimidazole","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","QA0113","Therrien, Bruno; Beauchamp, André L.","1,1'-Dimethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","6","IUC9900054","","10.1107/S0108270199099321","","","0.71069","MoKα","","0.048","0.036","","0.088","","0.084","","","0.911","","","1.027","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008614","11.046","0.001","12.545","0.001","13.624","0.001","90","","90","","90","","1887.9","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br4 -","- C17 H24 Br4 -","- C68 H96 Br16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.041","","","0.071","","","","","1.65","1.65","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008615","11.018","0.001","12.278","0.001","13.299","0.001","90","","90","","90","","1799.1","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C68 H96 Cl16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.048","","","0.131","","","","","1.484","1.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008616","9.599","0.001","11.922","0.001","13.517","0.001","90","","90","","90","","1546.9","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 -","- C16 H24 Cl2 -","- C64 H96 Cl8 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.063","","","0.134","","","","","1.469","1.469","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008617","7.153","0.001","11.035","0.002","26.824","0.004","90","","90","","90","","2117.3","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water","","- C20 H27 N O10 -","- C20 H27 N O10 -","- C80 H108 N4 O40 -","4","1","QA0116","Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.","[2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate","Acta Crystallographica Section C","1999","55","6","IUC9900053","","10.1107/S0108270199099308","","","0.71073","MoKα","","0.067","0.036","","0.103","0.073","","","","0.826","0.973","0.973","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008618","5.993","0.004","5.993","0.004","12.574","0.008","90","","90","","90","","451.6","0.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium periodate","Ammonium tetraoxoiodate(VII)","","- H4 I N O4 -","- H4 I N O4 -","- H16 I4 N4 O16 -","4","0.25","QA0117","Levason, William; Webster, Michael","Ammonium tetraoxoiodate(VII)","Acta Crystallographica Section C","1999","55","6","IUC9900052","","10.1107/S0108270199099394","","","0.71073","MoKα","","0.022","0.018","","","","0.049","","","","","","1.091","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008619","7.3408","0.0002","8.632","0.0002","15.0033","0.0003","73.476","0.001","85.741","0.001","70.288","0.001","857.78","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexaaquonickel(II) diaquo-μ-triethylenetetraaminehexaacetatodinickel(II) tetrahydrate","","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","1","0.5","QA0118","Li, Dong-Feng; Liao, Zhan-Ru; Xiong, Yun","A dinuclear nickel(II) complex with triethylenetetraaminehexaacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900058","","10.1107/S0108270199099369","","","0.71073","MoKα","","0.033","0.028","","0.077","0.075","","","","1.026","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008620","15.7794","0.0004","4.8525","0.0002","9.8771","0.0003","90","","97.952","0.001","90","","749.01","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-aminophenyl acetic acid","DL-2-amino-2-phenyl ethanoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QA0123","Dalhus, Bjørn; Görbitz, Carl Henrik","<small>DL</small>-Aminophenylacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900061","","10.1107/S0108270199099291","","","0.71073","MoKα","","0.097","0.058","","0.158","","0.139","","","1.033","","","1.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008621","8.5125","0.0002","18.262","0.0004","11.2164","0.0002","90","","105.328","0.001","90","","1681.62","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28 H24 Cl8 P2 Pd -","- C28 H24 Cl8 P2 Pd -","- C56 H48 Cl16 P4 Pd2 -","2","0.5","QA0124","Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto","<i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate","Acta Crystallographica Section C","1999","55","6","IUC9900062","","10.1107/S0108270199099345","","","0.71073","MoKα","","0.054","0.041","","","","0.116","","","","","","1.028","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008622","9.6489","0.0009","13.0543","0.0011","14.1245","0.0007","90","","101.173","0.006","90","","1745.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]-1,4-selenazepine","","- C18 H18 Cl N3 Se -","- C18 H18 Cl N3 Se -","- C72 H72 Cl4 N12 Se4 -","4","1","QA0125","Dupont, Léon; Pignon, Bernard; Christiaens, Léon","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-selenazepine","Acta Crystallographica Section C","1999","55","6","IUC9900064","","10.1107/S010827019909928X","","","1.5418","CuKα","","0.049","0.035","","","","0.1","","","","","","1.007","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008623","21.913","0.002","5.254","0.002","23.553","0.002","90","","112.41","0.02","90","","2506.9","1.1","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-(cyclohexylmethylene)salicylic acid","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0513","","","","0.1741","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008624","12.2361","0.0008","17.152","0.002","6.4725","0.0006","90","","97.01","0.004","90","","1348.3","0.2","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(2'-cyclohexylethylene)salicylic acid","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0628","","","","0.2205","","","","","","1.075","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008625","11.9149","0.0005","16.8717","0.0006","18.1365","0.0004","90","","106.193","0.006","90","","3501.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triquinolinium hexanitratolanthate(III) monohydrate","","- C27 H26 La N9 O19 -","- C27 H26 La N9 O19 -","- C108 H104 La4 N36 O76 -","4","1","QA0127","Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang","Triquinolinium hexanitratolanthate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","IUC9900065","","10.1107/S0108270199099333","","","0.71073","MoKα","","0.036","0.029","","0.066","","0.064","","","1.153","","","1.171","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008626","5.91","0.001","11.21","0.002","15.961","0.002","90","","90","","90","","1057.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O2 P -","- C11 H15 O2 P -","- C44 H60 O8 P4 -","4","1","QB0096","Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong","(2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide","Acta Crystallographica Section C","1999","55","6","IUC9900060","","10.1107/S0108270199099266","","","0.71073","MoKα","","0.035","0.03","","0.075","0.074","","","","0.984","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008627","12.193","0.001","17.562","0.002","21.84","0.003","90","","97.71","0.01","90","","4634.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C23 H23 N O3 S Sn -","- C23 H23 N O3 S Sn -","- C184 H184 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.068","0.042","","","","0.108","","","","","","1.018","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008628","27.404","0.001","17.855","0.001","21.682","0.001","90","","98.11","0.01","90","","10502.9","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[triphenyltin-μ-(N,N-pentamethylenecarbamoylthioacetato)-O:O']}","","- C26 H27 N O3 S Sn -","- C26 H27 N O3 S Sn -","- C416 H432 N16 O48 S16 Sn16 -","16","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.104","0.057","","","","0.169","","","","","","1.095","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008629","12.307","0.002","17.528","0.002","21.781","0.004","90","","97.77","0.01","90","","4655.4","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Sn(C5H9)(C6H5)2(C5H8NO3S)]","catena-poly[cyclopentyldiphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C22 H27 N O3 S Sn -","- C22 H27 N O3 S Sn -","- C176 H216 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.138","0.062","","","","0.185","","","","","","1.049","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008630","8.9654","0.0003","9.6447","0.0003","20.0666","0.0005","78.475","0.001","81.518","0.001","83.786","0.001","1675.99","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2- ethanediylbis(nitrilomethylidene-N)]diphenolato-O,O'}copper(II) diperchlorate monohydrate","","- C28 H40 Cl2 Cu N4 O13 -","- C28 H40 Cl2 Cu N4 O13 -","- C56 H80 Cl4 Cu2 N8 O26 -","2","1","SK1242","S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","6","894","896","10.1107/S0108270199001298","","","0.71073","MoKα","","0.106","0.068","","","","0.182","","","","","","1.117","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008631","7.3215","0.0001","17.3709","0.0002","13.3435","0.0002","90","","90","","90","","1697.04","0.04","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Cl4 N2 Ti -","- C14 H18 Cl4 N2 Ti -","- C56 H72 Cl16 N8 Ti4 -","4","","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0351","0.029","","0.068","0.0651","0.068","","","1.108","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008632","7.184","0.001","8.014","0.002","14.151","0.003","90","","90","","90","","814.7","0.3","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Ti -","- C12 H14 Cl4 N2 Ti -","- C24 H28 Cl8 N4 Ti2 -","2","0.25","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0556","0.0471","","0.1086","0.1062","0.1086","","","1.31","","","1.31","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008633","7.8998","0.0002","9.9722","0.0003","16.0448","0.0005","107.54","0.001","93.784","0.001","99.551","0.001","1179.43","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","1","0.5","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0829","0.0463","","0.0933","0.0823","0.0933","","","1.039","","","1.039","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008634","7.888","0.001","8.643","0.001","29.832","0.001","90","","90","","90","","2033.8","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S,1'R)-3-(1-Naphth-1-yl-2-nitro-ethyl)-6-isopropyl-2,5- dimethoxy-3,6-dihydro-pyrazine","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","1.5418","CuKα","","0.0358","0.0352","","","","0.113","","","","","","0.968","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008635","8.88","0.002","6.748","0.002","17.73","0.004","90","","100.42","0.03","90","","1044.9","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C38 H54 N6 O12 -","2","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.1453","0.0694","","","","0.1701","","","","","","1.126","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008636","8.514","0.001","9.301","0.001","20.119","0.002","90","","90","","90","","1593.2","0.3","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0481","0.0436","","","","0.121","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008637","8.211","0.001","9.254","0.001","20.861","0.002","90","","90","","90","","1585.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-[(R)-Hydroxy-phenyl-methyl]-6-isopropyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0518","0.0432","","0.1213","0.1147","","","","1.136","1.18","1.18","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008638","5.803","0.001","10.486","0.001","14.762","0.001","90","","90.05","0.01","90","","898.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,6SR)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","0.5","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0426","0.0369","","0.1076","0.1025","","","","1.041","1.088","1.088","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008639","10.998","0.001","11.513","0.001","14.464","0.001","90","","90","","90","","1831.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0514","0.0418","","0.1032","0.0971","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008640","5.88","0.001","7.449","0.001","11.197","0.001","98.41","0.01","90.13","0.01","91.97","0.01","484.86","0.11","293","","293","","","","","","","","","5","P 1","P 1","1","","(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","1","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","1.5418","CuKα","","0.0386","0.0371","","0.1137","0.1107","","","","1.05","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008641","6.441","0.001","9.036","0.001","32.996","0.004","90","","90","","90","","1920.4","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.1064","0.0626","","0.1584","0.1344","","","","1.046","1.167","1.167","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008642","6.86","0.001","16.461","0.001","20.386","0.002","90","","90","","90","","2302","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0637","0.0429","","0.1078","0.0964","","","","1.032","1.112","1.112","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008643","5.7445","0.0008","5.7445","0.0008","17.235","0.005","90","","90","","120","","492.55","0.17","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bi nitro aluminate","Tetracalcium dialuminium hydroxide binitrate tetrahydrate","","- Al2 Ca4 H20 N2 O22 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","1","0.0833333","SK1257","Renaudin, Guillaume; François, Michel","The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","6","835","838","10.1107/S0108270199003066","","","0.71073","MoKα","","0.039","0.036","","","","0.1","","","","","","1.164","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008644","13.492","0.0002","9.6317","0.0001","16.9975","0.0003","90","","90","","90","","2208.84","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis-1,10-phenanthroline manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","0.5","SK1267","Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng","Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","6","901","903","10.1107/S010827019900181X","","","0.71073","MoKα","","0.048","0.037","","","","0.118","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008645","11.6166","0.0009","8.2634","0.0008","18.2929","0.0018","90","","98.856","0.007","90","","1735","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 Cu N2 O2 Zn -","- C17 H16 Cl2 Cu N2 O2 Zn -","- C68 H64 Cl8 Cu4 N8 O8 Zn4 -","4","1","SK1278","Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","6","923","925","10.1107/S0108270199003091","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008646","16.4555","0.0009","16.4555","0.0009","44.178","0.005","90","","90","","120","","10360","1.4","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","μ~3~-iodine-2:3:4κ^3^I-sulfido-1κS-tri-μ~3~-sulfido-1:2:3κ^3^S; 1:2:4κ^3^S;-1:3:4κ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP","","- C72 H60 Ag3 I P4 S5 W -","- C72 H60 Ag3 I P4 S5 W -","- C432 H360 Ag18 I6 P24 S30 W6 -","6","0.333333","TA1221","Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei","μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1)","Acta Crystallographica Section C","1999","55","6","860","863","10.1107/S0108270199002978","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008647","7.552","0.002","18.013","0.003","8.057","0.002","90","","105.02","0.02","90","","1058.6","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl4 Ru2 -","- C19.992 H18.624 Cl4 Ru2 -","- C39.984 H37.248 Cl8 Ru4 -","2","0.5","TA1223","Mark Bown; Martin A. Bennett","Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}","Acta Crystallographica Section C","1999","55","6","852","854","10.1107/S0108270199002589","","","0.7107","MoKα","","0.038","0.027","","0.036","","0.035","","","1.792","","","1.916","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008648","6.264","0.002","9.035","0.004","22.362","0.009","90","","90","","90","","1265.6","0.9","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-3,4-anhydro-1,2:5,6-di-O-isopropylidene-allo-inositol","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","TA1231","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol","Acta Crystallographica Section C","1999","55","6","958","960","10.1107/S0108270199002607","","","0.71073","MoKα","","0.095","0.051","","0.093","0.081","","","","1.042","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008649","6.411","0.002","20.092","0.002","8.93","0.002","90","","103.24","0.02","90","","1119.7","0.5","248","","248","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","TA1232","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-(Isopropyl)norbornane-<i>endo</i>-2,3-dicarboximide","Acta Crystallographica Section C","1999","55","6","960","962","10.1107/S0108270199002619","","","1.54184","CuKα","","","0.065","","","","0.151","","","","","","1.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008650","9.0204","0.0001","13.9921","0.0002","15.898","0.0001","106.022","0.001","90.673","0.001","98.479","0.001","1904.63","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(μ-hydrido)(μ-2-hydroxyethoxy)decacarbonyltriosmium","","- C12 H6 O12 Os3 -","- C12 H6 O12 Os3 -","- C48 H24 O48 Os12 -","4","2","TA1235","Leong, Weng Kee; Lum, Mien Wei","Decacarbonyl(μ-hydrido)(μ-2-hydroxyethoxy)triosmium","Acta Crystallographica Section C","1999","55","6","881","882","10.1107/S0108270199002620","","","0.71073","MoKα","","0.075","0.051","","","","0.141","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008651","9.656","0.001","5.592","0.001","15.788","0.001","90","","102.68","0.01","90","","831.7","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:3,4:5,6-Tri-O-isopropylidene-D-manitol","","- C15 H26 O6 -","- C15 H26 O6 -","- C30 H52 O12 -","2","1","BK1441","Ping Liu; Ting-Bin Wen; Jian-Kai Cheng","1,2:3,4:5,6-Tri-<i>O</i>-isopropylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","1999","55","7","1179","1181","10.1107/S0108270199002759","","","0.71073","MoKα","","0.044","0.04","","0.099","0.098","","","","1.058","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008652","8.0857","0.0009","8.5118","0.0005","10.4161","0.0007","88.788","0.007","73.155","0.008","77.352","0.007","668.78","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-carboxyl-2,6-dichlorophenylimino)imidazolidine dihydrate","","- C10 H13 Cl2 N3 O4 -","- C10 H13 Cl2 N3 O4 -","- C20 H26 Cl4 N6 O8 -","2","1","BK1445","E.M.Elssfah; K.Chinnakali; H.K.Fun; I.W.Mathison; E.K.Gan; M.Zubaid; T.W.Sam; C.Y.Tan","3,5-Dichloro-4-(imidazolidin-2-ylideneammonio)benzoate dihydrate","Acta Crystallographica Section C","1999","55","7","1115","1117","10.1107/S0108270199003832","","","0.71073","MoKα","","0.053","0.0383","","0.1104","0.1049","","","","1.045","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008653","7.5453","0.0003","12.0114","0.0005","13.5984","0.0005","109.342","0.001","99.98","0.001","98.593","0.001","1116.54","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","BK1448","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","3-Cyclopropyl-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole monohydrate","Acta Crystallographica Section C","1999","55","7","1119","1121","10.1107/S0108270199004448","","","0.71073","MoKα","","0.0421","0.0362","","","","0.1032","","","","","","1.052","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008654","17.1543","0.0008","10.7312","0.0005","20.6138","0.001","90","","101.618","0.001","90","","3717","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Cl P2 Ru -","- C46 H45 Cl P2 Ru -","- C184 H180 Cl4 P8 Ru4 -","4","1","BK1451","Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra","Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1999","55","7","1090","1092","10.1107/S010827019900253X","","","0.71073","MoKα","","0.0485","0.0301","","","","0.0649","","","","","","1.038","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008655","5.275","0.003","9.747","0.004","11.451","0.005","96.44","0.03","84.11","0.03","78.88","0.04","569.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","aziridinyl","Bis(2,2-dimethylaziridinyl)phosphinic amide","","- C8 H18 N3 O P -","- C8 H18 N3 O P -","- C16 H36 N6 O2 P2 -","2","1","BK1457","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Bis(2,2-dimethylaziridinyl)phosphinic amide","Acta Crystallographica Section C","1999","55","7","1173","1175","10.1107/S0108270199003248","","","1.54178","CuKα","","0.045","0.042","","","","0.116","","","","","","1.08","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008656","18.409","0.002","7.2898","0.0006","5.6649","0.0004","90","","94.96","0.01","90","","757.37","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(1H-1,2,4-triazol-1-yl)phenol","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","BM1323","Foces-Foces, C.; Cabildo, P.; Claramunt, R. M.; Elguero, J.","4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenol","Acta Crystallographica Section C","1999","55","7","1160","1163","10.1107/S0108270199003558","","","1.5418","CuKα","","0.061","0.051","","0.044","0.039","","","","0.903","0.895","0.895","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008657","8.41","0.002","11.116","0.002","12.122","0.002","95.24","0.03","108.29","0.03","93.24","0.03","1067.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-phenylacetato-O:O')bis[(quinoline-N)cobalt(II)]","","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","1","0.5","BM1324","Yong Cui; Fakun Zheng; Jinshun Huang","Tetrakis(μ-phenylacetato-<i>O</i>:<i>O</i>')bis[(quinoline-<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","1999","55","7","1067","1069","10.1107/S0108270199004321","","","0.71073","MoKα","","0.056","0.047","","0.12","","0.116","","","1.041","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008658","20.412","0.003","20.412","0.003","10.482","0.002","90","","90","","90","","4367.3","1.2","120","","120","","","","","","","","","5","P 42/n :2","-P 4bc","86","","{μ-2,6-Bis(N-tert-butyliminomethylene)pyridine}rhodium(I) phenoxide","","- C21 H28 N3 O Rh -","- C21 H28 N3 O Rh -","- C168 H224 N24 O8 Rh8 -","8","1","BM1325","Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J.","[2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I)","Acta Crystallographica Section C","1999","55","7","1052","1054","10.1107/S0108270199003868","","","0.71073","MoKα","","0.06","0.057","","","","0.123","","","","","","1.454","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008659","10.581","0.001","10.089","0.001","5.8151","0.0008","90","","103.894","0.002","90","","602.61","0.12","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- K Na O6 V2 -","- K Na O6 V2 -","- K4 Na4 O24 V8 -","4","0.5","BR1213","Yongkui Shan; Songping D. Huang","A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~","Acta Crystallographica Section C","1999","55","7","1048","1050","10.1107/S0108270198017995","","","0.7107","MoKα","","0.035","0.025","","0.044","","0.037","","","0.87","","","0.831","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008660","17.749","0.003","9.021","0.003","9.059","0.002","90","","90","","90","","1450.5","0.6","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","pentabarium tetraantimonide","","- Ba5 Sb4 -","- Ba5 Sb4 -","- Ba20 Sb16 -","4","","BR1235","Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound","Acta Crystallographica Section C","1999","55","7","1044","1046","10.1107/S0108270199003984","","","0.71069","MoKα","","0.111","0.043","","","","0.102","","","","","","0.926","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008661","9.684","0.003","9.479","0.003","8.156","0.003","90","","95.33","0.02","90","","745.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride","","- C12 H26 Cl2 N4 -","- C12 H26 Cl2 N4 -","- C24 H52 Cl4 N8 -","2","0.5","BR1236","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data","Acta Crystallographica Section C","1999","55","7","1099","1101","10.1107/S0108270199004138","","","1.54059","CuKα~1~","","","","","","","","","","2.33","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008662","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.8","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, Mark; Nagel, Norbert; Bock, Hans; Dienelt, Rüdiger","Diisopropylammonium diphenylmethylnitronate at 200 K","Acta Crystallographica Section C","1999","55","","1149","1152","","","","","","","","0.0448","","","0.0965","","","","","","","","","","","has coordinates","31976","2020-10-21","18:00:00",""
"2008663","7.2665","0.0003","10.9212","0.0004","13.2862","0.0004","90","","96.477","0.001","90","","1047.65","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-hydroxyethyl)diisopropylammonium chloride","","- C8 H20 Cl N O -","- C8 H20 Cl N O -","- C32 H80 Cl4 N4 O4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.078","0.047","","","","0.124","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008664","8.9772","0.0002","8.069","0.0001","15.3032","0.0002","90","","95.937","0.001","90","","1102.57","0.03","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2-chloroethyl)diisopropylammonium chloride","","- C8 H19 Cl2 N -","- C8 H19 Cl2 N -","- C32 H76 Cl8 N4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.043","0.03","","","","0.08","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008665","25.091","0.0006","6.7447","0.0002","13.3049","0.0002","90","","90","","90","","2251.61","0.09","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","diisopropyl(2-mercaptoethyl)ammonium chloride","","- C8 H20 Cl N S -","- C8 H20 Cl N S -","- C64 H160 Cl8 N8 S8 -","8","2","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.039","0.032","","","","0.079","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008666","10.003","0.001","14.744","0.001","17.242","0.002","90","","92.14","0.01","90","","2541.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,2'-bipyridine)nickel (II) Diperchlorate","","- C20 H20 Cl2 N4 Ni O10 -","- C20 H20 Cl2 N4 Ni O10 -","- C80 H80 Cl8 N16 Ni4 O40 -","4","1","FG1527","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","7","1087","1090","10.1107/S0108270199003881","","","0.71073","MoKα","","0.085","0.045","","","","0.143","","","","","","1.012","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008667","9.573","0.001","10.19","0.001","19.213","0.002","90","","90.32","0.01","90","","1874.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)","","- C21 H17 Cu N3 O5 -","- C21 H17 Cu N3 O5 -","- C84 H68 Cu4 N12 O20 -","4","1","FR1120","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","(5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II)","Acta Crystallographica Section C","1999","55","7","1063","1065","10.1107/S0108270199001018","","","0.71073","MoKα","","0.083","0.045","","","0.103","0.118","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008668","10.67","0.001","11.752","0.001","12.099","0.001","83.93","0.01","72.21","0.01","74.02","0.01","1388.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","","- C31 H25 Cu N3 O7 -","- C31 H25 Cu N3 O7 -","- C62 H50 Cu2 N6 O14 -","2","1","FR1122","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","7","1065","1067","10.1107/S0108270199001572","","","0.71073","MoKα","","0.078","0.051","","","0.127","0.144","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008669","17.432","0.004","17.339","0.004","11.538","0.004","90","","124.49","0.02","90","","2874.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2'-formylphenyl)-1,4-dioxabutane bisthiosemicarbazone","2,2'-ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","","- C22 H32 N6 O4 S4 -","- C22 H32 N6 O4 S4 -","- C88 H128 N24 O16 S16 -","4","0.5","FR1153","Xu-Hui Zhu; Xiao-Feng Chen; Yong-Jiang Liu; Cun-Ying Duan; Xiao-Zeng You; Yu-Peng Tian; Fu-Xing Xie","2,2'-Ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","Acta Crystallographica Section C","1999","55","7","1175","1176","10.1107/S0108270199002334","","","0.71073","MoKα","","0.056","0.04","","0.111","0.102","","","","1.024","1.064","1.064","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008670","10.6433","0.0012","20.6568","0.0013","8.5187","0.0011","90","","91.762","0.002","90","","1872","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cd3 N4 O8 -","- C38 H38 Cd3 N4 O8 -","- C76 H76 Cd6 N8 O16 -","2","0.5","FR1176","Atakol, Orhan; Aksu, Mecit; Ercan, Filiz; Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer","A linear trinuclear Cd^II^‒Cd^II^‒Cd^II^ complex with a μ-acetato bridge: bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]cadmium(II)}cadmium(II)","Acta Crystallographica Section C","1999","55","7","1072","1075","10.1107/S0108270199004333","","","0.71073","MoKα","","","0.028","","","0.037","","","","","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008671","17.0422","0.0003","13.5414","0.0002","13.1573","0.0002","90","","109.06","0.001","90","","2869.92","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Benzylpiperidin-1-yl)glyoxal doixime","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C112 H152 N24 O16 -","8","2","FR1184","Sema Öztürk; Şamil Işık; Mustafa Macit; Hoong-Kun Fun","1-(4-Benzylpiperidin-1-yl)glyoxal dioxime","Acta Crystallographica Section C","1999","55","7","1132","1134","10.1107/S0108270199004242","","","0.71073","MoKα","","0.059","0.044","","","","0.122","","","","","","1.028","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008672","7.691","0.001","9.1327","0.0008","10.982","0.001","75.815","0.008","71.109","0.008","89.304","0.01","705.67","0.14","296","","296","","","","","","","","","3","P -1","-P 1","2","2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxaldehyde","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","FR1197","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","7","1176","1179","10.1107/S010827019900445X","","","0.71073","MoKα","","","0.047","","","0.08","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008673","7.547","0.002","8.035","0.001","10.24","0.001","77.78","0.01","86.62","0.01","65.46","0.01","551.77","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","quinolinium-4-carboxylate trihydrate","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C20 H26 N2 O10 -","2","1","FR1203","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate trihydrate","Acta Crystallographica Section C","1999","55","7","1192","1195","10.1107/S0108270199004849","","","0.71073","MoKα","","","0.049","","","","0.078","","","","","","1.27","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008674","8.376","0.001","9.7236","0.0009","12.325","0.001","90","","96.9","0.01","90","","996.54","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(isopropylthio)benzoic acid","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","FR1205","Gerkin, Roger E.","2-(Isopropylthio)benzoic acid","Acta Crystallographica Section C","1999","55","7","1190","1192","10.1107/S0108270199005582","","","0.71073","MoKα","","","0.046","","","","0.068","","","","","","1.66","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008675","11.568","0.001","14.356","0.002","16.243","0.001","90","","98.3","0.01","90","","2669.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","","- C13 H30 I4 N2 S2 Te -","- C13 H30 I4 N2 S2 Te -","- C52 H120 I16 N8 S8 Te4 -","4","1","GD1007","R. Krishna Kumar; G. Aravamudan; Kandasamy Sivakumar; Hoong-Kun Fun","Tetraethylammonium (<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tetraiodotellurate(IV)","Acta Crystallographica Section C","1999","55","7","1121","1123","10.1107/S0108270199003261","","","0.71073","MoKα","","0.059","0.037","","","","0.096","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008676","17","0.002","14.369","0.002","13.485","0.002","90","","91.32","0.01","90","","3293.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni(t-salpd)","","","- C18 H18 N2 Ni O0.5 S2 -","- C18 H18 N2 Ni O0.5 S2 -","- C144 H144 N16 Ni8 O4 S16 -","8","2","GD1011","Gomes, Ligia; Pereira, Eulalia; de Castro, Baltazar","A nickel complex with a tetradentate N~2~S~2~ Schiff base ligand","Acta Crystallographica Section C","1999","55","7","1061","1063","10.1107/S0108270199004163","","","0.71073","MoKα","","0.067","0.043","","0.121","0.099","","","","1.215","1.217","1.217","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008677","9.968","0.003","4.475","0.002","14.906","0.002","90","","93.52","0.02","90","","663.7","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C20 H32 N8 O12 -","4","1","GD1019","Okabe, Nobuo; Hayashi,Tomomi","Imidazole-4-acetic acid monohydrate","Acta Crystallographica Section C","1999","55","7","1142","1144","10.1107/S0108270199004023","","","0.71069","MoKα","","","0.072","","","","0.112","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008678","15.5486","0.001","7.7295","0.0005","25.647","0.003","90","","96.005","0.006","90","","3065.4","0.5","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-2-(pyrrolyl)methylferrocene","Di-2-(pyrrolyl)methylferrocene","","- C19 H18 Fe N2 -","- C19 H18 Fe N2 -","- C152 H144 Fe8 N16 -","8","2","GD1024","Gallagher, John F.; Moriarty, Elena","Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor","Acta Crystallographica Section C","1999","55","7","1079","1082","10.1107/S0108270199003625","","","0.7107","MoKα","","0.1019","0.0405","","","","0.0764","","","","","","0.932","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008679","6.842","0.002","12.156","0.003","14.184","0.003","90","","92.32","0.03","90","","1178.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","GS1022","Ján Lokaj; Viktor Kettmann; Vladimír Macháček; Aleš Halama","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","Acta Crystallographica Section C","1999","55","7","1101","1103","10.1107/S0108270199002772","","","0.71073","MoKα","","0.108","0.047","","0.122","0.094","","","","0.908","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008680","8.067","0.003","9.699","0.004","12.191","0.004","90","","100.19","0.03","90","","938.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6,7,8,8a,9-hexahydrothieno[2,3-f]indolizine-6,9-dione","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","GS1027","Ján Lokaj; Viktor Kettmann; Stephan Marchalin","4,6,7,8,8a,9-Hexahydrothieno[3,2-<i>f</i>]indolizine-6,9-dione","Acta Crystallographica Section C","1999","55","7","1103","1105","10.1107/S0108270199001055","","","0.71073","MoKα","","0.088","0.048","","0.134","0.091","","","","0.968","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008681","6.6557","0.0008","20.988","0.003","9.5188","0.0015","90","","95.473","0.014","90","","1323.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Iodo-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H12 I N3 O2 S -","- C10 H12 I N3 O2 S -","- C40 H48 I4 N12 O8 S4 -","4","1","GS1034","Dupont, Léon; Pirotte, Bernard; de Tullio, Pascal","7-Iodo-3-isopropylamino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","7","1152","1154","10.1107/S0108270199000669","","","1.5418","CuKα","","0.0864","0.0512","","","","0.1406","","","","","","0.926","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008682","8.5295","0.0004","11.4017","0.0005","11.5115","0.0005","85.406","0.001","72.81","0.001","80.316","0.001","1053.71","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-Di(2-methoxyphenyl)-4-methyl[2H]benzo[h]chromene","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","HA1251","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T.Ramakrishnan","2,2-Bis(2-methoxyphenyl)-4-methyl-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","7","1123","1125","10.1107/S0108270199001845","","","0.71073","MoKα","","0.068","0.048","","","","0.141","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008683","6.421","0.0002","16.6897","0.0003","11.7575","0.0003","90","","98.738","0.001","90","","1245.36","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9a-propargyl-1,2,3,10-tetrahydrofluorene-3,9-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","HA1252","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan","9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione","Acta Crystallographica Section C","1999","55","7","1135","1136","10.1107/S0108270199001857","","","0.71073","MoKα","","0.082","0.056","","","","0.135","","","","","","1.119","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008684","22.8032","0.001","7.639","0.002","16.986","0.002","90","","106.29","0.01","90","","2840.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Diphenylguanidinium dihydrogen phosphate","","- C13 H16 N3 O4 P -","- C13 H16 N3 O4 P -","- C104 H128 N24 O32 P8 -","8","1","HA1254","Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","<i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate","Acta Crystallographica Section C","1999","55","7","1096","1099","10.1107/S0108270199004084","","","0.71073","MoKα","","0.042","0.027","","","","0.08","","","","","","1.035","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008685","7.887","0.009","8.358","0.004","13.98","0.01","90","0.06","103.49","","90","","896.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(acetato-O)bis(2-amino-6-methylpyridine-N)copper(II)","","- C16 H22 Cu N4 O4 -","- C16 H22 Cu N4 O4 -","- C32 H44 Cu2 N8 O8 -","2","0.5","HA1255","Lah, Nina; Golič, Ljubo; Šegedin, Primož; Leban, Ivan","<i>trans</i>-Bis(acetato-<i>O</i>)bis(2-amino-6-methylpyridine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1999","55","7","1056","1058","10.1107/S0108270199004345","","","0.71073","MoKα","","0.073","0.034","","","","0.086","","","","","","1.035","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008686","11.507","0.002","15.225","0.005","24.573","0.009","90","","90","","90","","4305","2","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25 hydrate","","- C8 H17.5 Cl N2 O2.25 -","- C8 H17.5 Cl N2 O2.25 -","- C128 H280 Cl16 N32 O36 -","16","4","JZ1343","Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W.","(1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate","Acta Crystallographica Section C","1999","55","7","1167","1170","10.1107/S0108270199003522","","","0.71069","MoKα","","0.025","0.024","","","","0.063","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008687","16.185","0.007","9.11","0.003","17.535","0.008","90","","116.85","0.02","90","","2306.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","pentacarbonyl-cyclopentadiene-(μ-dicylclohexylphosphanido)manganese-rhodium","","- C22 H27 Mn O5 P Rh -","- C22 H27 Mn O5 P Rh -","- C88 H108 Mn4 O20 P4 Rh4 -","4","1","JZ1346","Flörke, Ulrich; Haupt, Hans-Jürgen","Pentacarbonyl-1κ^4^<i>C</i>,2κ<i>C</i>-[2(η^5^)-cyclopentadienyl]-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-manganeserhodium(<i>Mn</i>—<i>Rh</i>)","Acta Crystallographica Section C","1999","55","7","1051","1052","10.1107/S0108270199004175","","","0.71073","MoKα","","0.094","0.047","","0.1","","0.083","","","1.025","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008688","13.73","0.005","11.334","0.003","13.848","0.005","90","","109.15","0.02","90","","2035.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tripropargylammonium chloride","","","- C9 H10 Cl N -","- C9 H10 Cl N -","- C72 H80 Cl8 N8 -","8","2","","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","Tris(prop-2-ynyl)ammonium chloride","Acta Crystallographica Section C","1999","55","","1156","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008689","10.516","0.007","11.484","0.006","11.705","0.007","113.89","0.04","112.11","0.04","95.83","0.04","1142.3","1.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0451","","","","0.1201","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008690","10.322","0.008","10.482","0.007","13.259","0.008","97.64","0.005","103.98","0.05","115.43","0.005","1210.5","1.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0341","","","","0.0827","","","","1.016","1.016","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008691","11.356","0.001","9.843","0.001","14.452","0.002","90","","91.56","0.01","90","","1614.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2- spirocyclohexane","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","KA1310","Henao-Martínez, José Antonio; Palma, Alirio R.; Kouznetsov, Vladimir V.; Aguirre-Hernández, Gerardo; Fernando-Ortega, Chicote; Soriano-García, Manuel","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2-spirocyclohexane","Acta Crystallographica Section C","1999","55","7","1181","1183","10.1107/S0108270199003376","","","0.71073","MoKα","","0.109","0.053","","0.177","0.133","","","","1.157","1.257","1.257","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008692","9.485","0.0013","11.769","0.002","14.596","0.002","104.889","0.012","96.663","0.012","90.451","0.009","1562.8","0.4","135","","","","","","","","","","","4","P -1","-P 1","2","","(±)-(3'aα,4'β,6'aα)-1',3',3'a,6'a-Tetrahydro-5,5,N,N- tetramethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'- acetamide","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","2","KA1316","Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann","(+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","7","1158","1160","10.1107/S0108270199003765","","","0.71073","MoKα","","","0.056","","","0.052","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008693","9.2544","0.0001","14.5543","0.0004","9.6994","0.0002","90","","105.435","0.001","90","","1259.31","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","LN1079","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","7","1136","1138","10.1107/S0108270199002693","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008694","11.944","0.0002","16.541","0.0003","24.4068","0.0004","71.432","0.001","78.541","0.001","74.63","0.001","4372.89","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trimethyl (5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5- hydroxyisoquinoline-5,6,7-tricarboxylate","","- C19 H22 Cl2 N2 O7 -","- C19 H22 Cl2 N2 O7 -","- C152 H176 Cl16 N16 O56 -","8","4","LN1080","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Trimethyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxyisoquinoline-5,6,7-tricarboxylate","Acta Crystallographica Section C","1999","55","7","1140","1142","10.1107/S010827019900311X","","","0.71073","MoKα","","0.121","0.055","","","","0.168","","","","","","1.006","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008695","11.7954","0.0005","7.6537","0.0003","46.732","0.002","90","","90","","90","","4218.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","","- C25 H28 O3 -","- C25 H28 O3 -","- C200 H224 O24 -","8","1","LN1083","H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun","(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","Acta Crystallographica Section C","1999","55","7","1130","1132","10.1107/S0108270199004151","","","0.71073","MoKα","","0.107","0.068","","","","0.148","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008696","11.67","0.003","8.538","0.002","34.208","0.01","90","","92.58","0.02","90","","3405","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-(2,6-dichloroanilino)phenyl]acetate magnesium","","- C28 H36 Cl4 Mg N2 O12 -","- C28 H36 Cl4 Mg N2 O12 -","- C112 H144 Cl16 Mg4 N8 O48 -","4","1","NA1405","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","A hydrated diclofenac salt of the hexaaquamagnesium ion","Acta Crystallographica Section C","1999","55","7","1054","1056","10.1107/S0108270199004096","","","0.71069","MoKα","","0.207","0.047","","","","0.158","","","","","","0.931","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008697","5.474","0.003","5.51","0.003","36.15","0.01","90","0.009","90","0.009","90","0.009","1090.3","0.9","293","","293","","","","","","","","","4","B b 21 m","B -2 -2b","36","","dicalcium disodium tetraniobium tridecaoxide","","- Ca2 Na2 Nb4 O13 -","- Ca2.01 Na1.99 Nb4 O13 -","- Ca8.04 Na7.96 Nb16 O52 -","4","0.5","OA1080","Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji","A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~","Acta Crystallographica Section C","1999","55","7","1041","1044","10.1107/S0108270199001134","","","0.7107","MoKα","","0.044","0.044","","0.026","0.026","","","","1.993","1.993","1.993","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2008698","9.563","0.001","9.657","0.001","6.935","0.002","100.89","0.02","102.54","0.02","90.26","0.01","613.2","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N O5 -","- C11 H9 Cl2 N O5 -","- C22 H18 Cl4 N2 O10 -","2","1","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.08","0.055","","0.058","","0.049","","","1.33","","","1.33","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008699","3.799","0.001","20.292","0.005","9.675","0.002","90","","99.69","0.02","90","","735.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.06","0.048","","0.078","","0.061","","","1.55","","","1.55","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008700","10.796","0.003","7.755","0.002","19.315","0.002","90","","90.8","0.01","90","","1617","0.6","297","","273.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","exo-[(RS,SR)-N,N'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","","","- C18 H18 N2 O3 V -","- C18 H18 N2 O3 V -","- C72 H72 N8 O12 V4 -","4","1","OA1084","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>exo</i>-[(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","7","1082","1084","10.1107/S0108270199004187","","","0.71073","MoKα","","0.061","0.036","","","","0.064","","","","","","1.262","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008701","16.014","0.002","16.097","0.001","9.7547","0.0007","95.827","0.006","104.757","0.007","84.81","0.008","2413.6","0.4","248.2","","248","","","","","","","","","3","P -1","-P 1","2","2,2,8,8-tetramethoxy-1a,9-bis(methylacrylato)- 1,4-etheno-octahydronaphthalene-6-ene-3,7-dione","dimethyl 8,8-dimethoxy-7-oxo-1,4-(1,1-dimethoxy-2-oxoethano)- 1,4,4a,7,8,8a-hexahydronaphthalene-2,4a-diyldiacrylate","","- C24 H28 O10 -","- C24 H27.5 O10 -","- C96 H110 O40 -","4","2","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.05","","","","0.102","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008702","15.356","0.003","8.659","0.003","17.271","0.004","90","","94.31","0.02","90","","2290","1.1","248","","248","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 6,6,12,12-tetramethoxy-5,11-dioxotetracyclo[6.2.2.0^3,10^.0^4,9^] dodecane-2,9-diyldiacrylate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.063","","","","0.122","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008703","10.1673","0.0001","10.1932","0.0002","15.4592","0.0002","90","","102.048","0.001","90","","1566.86","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","deoxycholic acid, tris(hydroxymethyl) amino methane, water","tris(hydroxymethyl)methyl ammonium 3α,12α-dihydroxy-5β-cholan-24-oate trihydrate","","- C28 H57 N O10 -","- C28 H57 N O10 -","- C56 H114 N2 O20 -","2","1","OS1052","Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar","A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium","Acta Crystallographica Section C","1999","55","7","1113","1115","10.1107/S0108270199004370","","","0.71073","MoKα","","0.042","0.035","","0.092","0.084","","","","1.057","1.04","1.04","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008704","9.9166","0.0002","4.7247","0.0001","15.3292","0.0003","90","","102.349","0.001","90","","701.6","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Norvaline:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0567","0.0448","","0.1271","0.1161","","","","1.049","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008705","9.8756","0.0002","4.7029","0.0001","16.4192","0.0003","90","","107.328","0.0007","90","","727.96","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionine:D-Norleucine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.028","0.0254","","0.0697","0.0682","","","","1.059","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008706","29.5751","0.0004","4.7386","0.0001","9.9402","0.0001","90","","102.711","0.0008","90","","1358.92","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Valine:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0496","0.038","","0.1057","0.0951","","","","1.052","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008707","31.4433","0.0004","4.7622","0.0001","9.9363","0.0002","90","","100.838","0.0004","90","","1461.32","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-alloIsoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0485","0.0394","","0.1052","0.098","","","","1.075","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008708","5.1778","0.0001","27.8078","0.0005","5.3995","0.0001","90","","112.303","0.001","90","","719.28","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Leucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.067","0.0587","","0.1354","0.1308","","","","1.192","1.22","1.22","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008709","15.423","0.002","18.571","0.004","5.8691","0.0008","90","","90","","90","","1681","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","0.5","QA0119","Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju","1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section C","1999","55","7","IUC9900073","","10.1107/S0108270199099230","","","0.71073","MoKα","","0.113","0.059","","","","0.177","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008710","5.1387","0.0002","22.5026","0.001","10.141","0.0004","90","","101.69","","90","","1148.32","0.08","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-dibromophthalic acid monoethylester","","- C10 H8 Br2 O4 -","- C10 H8 Br2 O4 -","- C40 H32 Br8 O16 -","4","1","QA0129","Britton, Doyle","Ethyl hydrogen 4,5-dibromophthalate","Acta Crystallographica Section C","1999","55","7","IUC9900071","","10.1107/S0108270199099229","","","0.71073","MoKα","","0.046","0.035","","0.078","","0.074","","","1.095","","","1.132","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2008711","6.7579","0.0012","6.8393","0.001","11.0376","0.0017","90","","101.307","0.014","90","","500.25","0.14","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-deoxy-1'-(3-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C22 H26 F2 O8 -","2","1","QA0131","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(3-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900070","","10.1107/S0108270199099205","","","0.71073","MoKα","","0.038","0.035","","","","0.091","","","","","","1.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008712","7.5544","0.0017","8.5939","0.0012","14.489","0.002","77.136","0.011","86.8","0.015","88.879","0.016","915.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","2","QA0133","Kennedy, Alan R.; Khalaf, Abedawn I.; Pitt, Andrew R.; Scobie, Martin; Suckling, Colin J.; Urwin, John; Waigh, Roger D.; Young, Stephen C.","Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate","Acta Crystallographica Section C","1999","55","7","IUC9900072","","10.1107/S0108270199099199","","","0.71069","MoKα","","0.068","0.035","","","","0.105","","","","","","1.022","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008713","11.938","0.008","24.421","0.005","7.8395","0.0012","90","","90","","90","","2285.5","1.6","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","QA0134","K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy","A diketopiperazine derivative of quinapril","Acta Crystallographica Section C","1999","55","7","IUC9900077","","10.1107/S0108270199099187","","","1.5418","CuKα","","0.062","0.058","","0.077","","0.076","","","1.834","","","1.847","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008714","13.2435","0.0019","5.1116","0.0008","15.52","0.003","90","","102.2","0.013","90","","1026.9","0.3","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","QA0135","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900069","","10.1107/S0108270199099217","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.194","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008715","24.015","0.004","10.396","0.004","10.41","0.004","90","","91.48","0.02","90","","2598.1","1.5","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0536","","","","0.1118","","","","","","1.128","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008716","15.096","0.002","8.434","0.001","25.095","0.001","90","","105.02","0.01","90","","3085.9","0.6","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan- 13-one monomethanol solvate","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0495","","","","0.0915","","","","","","1.316","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008717","5.8094","0.0013","10.466","0.003","19.605","0.005","90","","90.998","0.019","90","","1191.8","0.5","130","2","130","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Biphenylene","","- C12 H8 -","- C12 H8 -","- C72 H48 -","6","1.5","QA0137","Boese, Roland; Bläser, Dieter; Latz, Rüdiger","Redetermination of biphenylene at 130K","Acta Crystallographica Section C","1999","55","7","IUC9900067","","10.1107/S0108270199099163","","","0.71073","MoKα","","0.064","0.052","","","","0.149","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008718","15.373","0.003","6.536","0.001","17.8","0.004","90","","100.61","0.01","90","","1757.9","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C88 H80 O16 -","8","2","QA0139","Söntgen, Olaf; Bolte, Michael","1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione","Acta Crystallographica Section C","1999","55","7","IUC9900076","","10.1107/S0108270199099151","","","0.71073","MoKα","","0.078","0.048","","","","0.12","","","","","","1.018","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008719","10.3746","0.0004","13.7857","0.0005","7.9098","0.0004","90","","96.637","0.002","90","","1123.69","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)imidazolidine","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C40 H32 Cl8 N16 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.153","0.068","","","","0.158","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008720","9.8442","0.0013","18.997","0.003","10.9399","0.0012","90","","108.079","0.01","90","","1944.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C18 H20 Cl2 N4 O2 -","- C18 H20 Cl2 N4 O2 -","- C72 H80 Cl8 N16 O8 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.127","0.044","","","","0.077","","","","","","0.96","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008721","5.26","0.0007","5.26","0.0007","8.801","0.002","90","","90","","120","","210.88","0.06","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","potassium iron silicate","potassium iron silicate","","- Fe0.97 K0.97 O4 Si1.03 -","- Fe0.97 K0.97 O3.99999 Si1.03 -","- Fe1.94 K1.94 O7.99998 Si2.06 -","2","0.166667","QB0099","Robert Hammond; Jacques Barbier","Hexagonal β-KFeSiO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900075","","10.1107/S0108270199099242","","","0.56086","AgKα","","0.032","0.0189","","0.0563","0.0452","","","","0.982","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008722","18.749","0.003","18.749","0.003","8.684","0.002","90","","90","","120","","2643.7","0.9","293","2","293","2","","","","","","","","4","P 63","P 6c","173","potassium iron germanate","potassium iron germanium tetraoxide","","- Fe Ge K O4 -","- Fe Ge K O4 -","- Fe24 Ge24 K24 O96 -","24","4","QB0100","Robert Hammond; Jacques Barbier","Low-temperature KFeGeO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900074","","10.1107/S0108270199099254","","","0.56086","AgKα","","0.055","0.041","","0.11","0.095","","","","0.939","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008723","17.862","0.001","17.862","0.001","17.862","0.001","90","","90","","90","","5698.9","0.6","295","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide","","- C33 H33 N3 O3 -","- C33 H33 N3 O3 -","- C264 H264 N24 O24 -","8","0.333333","SK1189","Herbstein, Frank H.","<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum","Acta Crystallographica Section C","1999","55","7","1196","","10.1107/S0108270198013924","","","1.5405","CuKα","","","0.067","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008724","15.556","0.0012","15.556","0.0012","15.556","0.0012","90","","90","","90","","3764.4","0.5","193","2","193","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)ruthenate(III)","","- C36 H24 N6 Na O12 Ru2 -","- C36 H24 N6 Na O12 Ru2 -","- C144 H96 N24 Na4 O48 Ru8 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.039","0.031","","","","0.063","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008725","15.515","0.002","15.515","0.002","15.515","0.002","90","","90","","90","","3734.7","0.8","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)rhodate(III)","","- C36 H24 N6 Na O12 Rh Ru -","- C36 H24 N6 Na O12 Rh Ru -","- C144 H96 N24 Na4 O48 Rh4 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.034","0.023","","","","0.065","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008726","15.407","0.004","15.407","0.004","15.407","0.004","90","","90","","90","","3657.2","1.6","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)aluminate(III)","","- C36 H24 Al N6 Na O12 Ru -","- C36 H24 Al N6 Na O12 Ru -","- C144 H96 Al4 N24 Na4 O48 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.099","0.041","","","","0.107","","","","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008727","6.36","0.001","9.059","0.002","13.224","0.002","90","","90.4","0.02","90","","761.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dipotassium tellurium trisulfide","","","- K2 S3 Te -","- K2 S3 Te -","- K8 S12 Te4 -","4","1","SK1244","Rumpf, Christian; Näther, Christian; Bensch, Wolfgang","K~2~TeS~3~","Acta Crystallographica Section C","1999","55","7","1046","1047","10.1107/S0108270198018265","","","0.71073","MoKα","","0.031","0.023","","0.061","0.057","","","","1.174","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008728","10.395","0.002","13.32","0.003","21.162","0.002","90","","100.414","0.009","90","","2881.9","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Diaquatetrachlorotetramethylditin] - [dichlorodimethyl(tris-2-pyridyl-1,3,5-triazine)tin] (1/2)","","- C22 H26 Cl4 N6 O Sn2 -","- C22 H26 Cl4 N6 O Sn2 -","- C88 H104 Cl16 N24 O4 Sn8 -","4","1","SK1251","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Di-μ-chloro-bis(aquachlorodimethyltin)‒dichlorodimethyl[2,4,6-tris(2-pyridyl)-1,3,5-triazine]tin (1/2)","Acta Crystallographica Section C","1999","55","7","1058","1061","10.1107/S0108270199004928","","","0.71073","MoKα","","0.065","0.041","","","","0.088","","","","","","0.977","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2008729","26.28","0.004","26.285","0.003","18.449","0.002","90","","102.696","0.01","90","","12432","3","136","2","136","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2,5-Diisopropylidene-3,4-bis-(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex- 3-enedioic acid bis(2-methoxycarbonyl-2-methylpropyl)ester","","- C38 H56 O16 -","- C38 H56 O16 -","- C456 H672 O192 -","12","6","SK1272","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules","Acta Crystallographica Section C","1999","55","7","1183","1186","10.1107/S0108270199003078","","","0.71073","MoKα","","0.2369","0.078","","","","0.157","","","","","","1.011","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008730","7.5028","0.0003","17.3288","0.0006","26.1306","0.0009","90","","90","","90","","3397.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[h]coumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C160 H144 O24 S8 -","8","2","SK1273","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","7","1125","1127","10.1107/S0108270199002814","","","0.71073","MoKα","","0.111","0.065","","","","0.158","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008731","13.4416","0.0004","6.4787","0.0002","21.7352","0.0006","90","","104.065","0.001","90","","1836.05","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(8RS-5SR-7SR)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","SK1274","H. Surya Prakash Rao; K. Jayalakshmi; Kandasamy Chinnakali; Hoong-Kun Fun","(8<i>RS</i>,5<i>SR</i>,7<i>SR</i>)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","Acta Crystallographica Section C","1999","55","7","1117","1119","10.1107/S0108270199002826","","","0.71073","MoKα","","0.095","0.054","","","","0.142","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008732","8.321","0.008","8.321","0.008","48.92","0.02","90","","90","","90","","3387","5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-5,3'-(3a'R,6a'S)- 5',6'-dimethyl-3a',6a'-dihydro-3H-furo[2,3-b]furan-2-one]","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","SK1275","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A.","(<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]furan-2-one]","Acta Crystallographica Section C","1999","55","7","1094","1096","10.1107/S010827019900308X","","","1.5418","CuKα","","0.0518","0.0444","","","","0.1212","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008733","14.752","0.005","23.919","0.008","12.505","0.006","90","","90","","90","","4412","3","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","3α,4β-Diacetoxy-17a-oxa-17a-homo-5α-androstan-17-one","","- C23 H34 O6 -","- C23 H34 O6 -","- C184 H272 O48 -","8","1","SK1276","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","7","1186","1188","10.1107/S0108270199002838","","","0.7093","MoKα","","0.1598","0.033","","","","0.09","","","","","","0.927","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008734","8.9148","0.0003","10.1052","0.0003","10.8606","0.0003","95.565","0.001","108.976","0.001","101.414","0.001","893.08","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl-(2R,4aR,8aR)-2-(4-methylbenzyl)-3-oxoperhydro-2-naphthalenecarboxylate","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","SK1279","S. Rajamathe; D. Sethumadhavan; H. Surya Prakash Rao; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-methylbenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","7","1127","1128","10.1107/S0108270199003108","","","0.71073","MoKα","","0.066","0.049","","","","0.147","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008735","12.103","0.001","5.63","0.001","26.795","0.001","90","","93.655","0.006","90","","1822.1","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N-Benzyl-2,3-dihydro-2-(2-methoxybenzylidine)-4H-1,4-benzoxazine","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","SK1280","Susim Maiti; Monika Mukherjee; Gopeswar Chaudhuri; Madeleine Helliwell; Nitya G. Kundu","(<i>Z</i>)-<i>N</i>-Benzyl-2,3-dihydro-2-(2-methoxybenzylidene)-4<i>H</i>-1,4-benzoxazine","Acta Crystallographica Section C","1999","55","7","1154","1156","10.1107/S0108270199003340","","","1.5418","CuKα","","0.06","0.046","","0.127","","0.12","","","1.015","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008736","18.0675","0.0009","7.7986","0.0004","9.2847","0.0004","90","","90","","90","","1308.23","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1H-fluoren-9-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SK1281","Dipakranjan Mal; Nirmal Kumar Hazra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1999","55","7","1129","1130","10.1107/S0108270199003352","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008737","12.8678","0.0005","11.4996","0.0004","10.0894","0.0003","90","","90","","90","","1492.97","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Copper(I) complex of 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetra-hydro- 1,2,4-triazine","","- C8 H12 Cl Cu N8 O2 S2 -","- C8 H12 Cl Cu N8 O2 S2 -","- C32 H48 Cl4 Cu4 N32 O8 S8 -","4","0.5","SK1282","Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao","A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","1999","55","7","1092","1093","10.1107/S0108270199003893","","","0.71073","MoKα","","0.052","0.035","","","","0.08","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008738","15.1789","0.0006","15.8689","0.0006","9.2735","0.0003","90","","102.396","0.001","90","","2181.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl(5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5-hydroxy-6- phenyl-7-nitro-5-isoquinolinecarboxylate","","- C21 H21 Cl2 N3 O5 -","- C21 H21 Cl2 N3 O5 -","- C84 H84 Cl8 N12 O20 -","4","1","SK1283","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxy-7-nitro-6-phenylisoquinoline-5-carboxylate","Acta Crystallographica Section C","1999","55","7","1138","1140","10.1107/S010827019900390X","","","0.71073","MoKα","","0.054","0.039","","","","0.108","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008739","7.596","0.007","27.69","0.02","7.276","0.011","93.117","0.009","91.114","0.011","82.374","0.008","1514","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(fluorene)-tetrakis(1,3,5-trinitrobenzene)","","- C31.5 H21 N6 O12 -","- C31.5 H21 N6 O12 -","- C63 H42 N12 O24 -","2","1","SX1080","Raúl A. Mariezcurrena; Silvia Russi; Alvaro W. Mombrú; Leopoldo Suescun; Helena Pardo; Osvaldo L. Tombesi; María A. Frontera","Mixed stacking and stoichiometry in a π-molecular complex between fluorene and 1,3,5-trinitrobenzene","Acta Crystallographica Section C","1999","55","7","1170","1173","10.1107/S0108270199003662","","","0.71069","MoKα","","0.0984","0.0505","","","","0.1838","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008740","8.1017","0.0012","22.918","0.004","8.9358","0.0011","90","","94.453","0.008","90","","1654.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1H,7H- pyrano[4,3-b][1]benzopyran-1-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","SX1082","Robinson, Paul D.; Beatty, Alicia; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.; Perchellet, Elisabeth M.; Ladesich, James B.; Perchellet, Jean-Pierre","Racemic 3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one, an active antitumor agent","Acta Crystallographica Section C","1999","55","7","1188","1190","10.1107/S0108270199003315","","","0.71073","MoKα","","0.073","0.054","","","","0.15","","","","","","1.056","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008741","26.413","0.004","9.4429","0.0008","14.2752","0.0012","90","","100.703","0.009","90","","3498.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co Pd S4 -","- C38 H30 Co Pd S4 -","- C152 H120 Co4 Pd4 S16 -","4","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.058","0.039","","0.098","0.088","","","","1.072","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008742","5.9472","0.0006","11.2387","0.001","18.6239","0.0013","90","","91.659","0.007","90","","1244.28","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Pd S4 -","- C28 H20 Pd S4 -","- C56 H40 Pd2 S8 -","2","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.029","0.023","","0.064","0.06","","","","1.052","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008743","6.5333","0.0002","7.9424","0.0004","10.2197","0.0004","90","","100.966","0.002","90","","520.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.054","0.044","","","","0.077","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008744","6.5034","0.0002","7.9206","0.0003","10.1816","0.0004","90","","100.911","0.002","90","","514.98","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.035","0.031","","","","0.063","","","","","","1.135","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008745","11.3231","0.0007","11.3446","0.0007","13.9047","0.0009","90","","98.676","0.001","90","","1765.7","0.19","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Co N4 -","- C16 H16 Cl2 Co N4 -","- C64 H64 Cl8 Co4 N16 -","4","1","BK1432","Yongkui Shan; Mayra E. Cádiz; Pedro L. Sánchez; Songping D. Huang","Dichlorobis(1-methyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section C","1999","55","8","1262","1263","10.1107/S0108270199004904","","","0.7107","MoKα","","0.047","0.043","","0.076","","0.07","","","1.19","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008746","12.7274","0.0003","5.5573","0.0002","15.161","0.0003","90","","102.935","0.0012","90","","1045.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Neotame","[N-[N-(3,3-dimethylbutyl)-L-a-aspartyl]-L-phenylalanine 1-methyl ester]","","- C20 H32 N2 O6 -","- C20 H32 N2 O6 -","- C40 H64 N4 O12 -","2","1","BK1453","Wink, Donald J.; Schroeder, Stephen A.; Prakash, Indra; Lam, Kin-Chung; Rheingold, A. L.","Neotame, an alkylated dipeptide and high intensity sweetener","Acta Crystallographica Section C","1999","55","8","1365","1368","10.1107/S0108270199005284","","","0.71073","MoKα","","0.062","0.058","","","","0.182","","","","","","1.411","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008747","10.33","0.001","10.33","0.001","20.222","0.004","90","","90","","90","","2157.9","0.5","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-propanol)uranium(IV)","","- C12 H32 Cl4 O4 U -","- C12 H32 Cl4 O4 U -","- C48 H128 Cl16 O16 U4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.027","0.021","","","","0.051","","","","","","1.07","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008748","10.447","0.001","10.447","0.001","20.395","0.001","90","","90","","90","","2225.9","0.3","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-proponol)thorium(IV)","","- C12 H32 Cl4 O4 Th -","- C12 H32 Cl4 O4 Th -","- C48 H128 Cl16 O16 Th4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.03","0.021","","","","0.045","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008749","10.036","0.002","18.669","0.004","6.717","0.0013","90","","98.62","0.03","90","","1244.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(2,2' bipyridine-N,N')(μ ~3~ -sulfito O:O:O) cadmium(II), dihydrate.","","- C10 H12 Cd N2 O5 S -","- C10 H12 Cd N2 O5 S -","- C40 H48 Cd4 N8 O20 S4 -","4","1","BK1460","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Helena Pardo","Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-sulfito-<i>O</i>:<i>O</i>:<i>O</i>'] hydrate]","Acta Crystallographica Section C","1999","55","8","1278","1280","10.1107/S0108270199005296","","","0.71073","MoKα","","0.036","0.026","","","","0.075","","","","","","0.986","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008750","8.647","0.001","8.701","0.002","11.683","0.002","84.68","0.01","70.24","0.02","74.96","0.01","798.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","1","0.5","BK1467","Zhengbai Cao; Tieliu Qi; Limin Zhu; De-Chun Zhang; Ronhua Zhou; Kai-Bei Yu","Bis(1,3-dibutylimidazolidin-2-one-<i>O</i>)bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","1999","55","8","1270","1272","10.1107/S0108270199004916","","","0.71073","MoKα","","0.028","0.027","","0.066","","0.061","","","0.995","","","1.003","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008751","7.066","0.003","14.723","0.008","18.219","0.006","90","","90","","90","","1895.4","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-diphenylguanidinium (+)-L-hydrogentartrate monohydrate","","- C17 H21 N3 O7 -","- C17 H21 N3 O7 -","- C68 H84 N12 O28 -","4","1","BM1310","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Belsley, M.","<i>N</i>,<i>N</i>'-Diphenylguanidinium hydrogen (+)-<small>L</small>-tartrate monohydrate","Acta Crystallographica Section C","1999","55","8","1287","1290","10.1107/S0108270199005119","","","0.71073","MoKα","","0.044","0.032","","","","0.084","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008752","8.904","0.002","14.657","0.003","17.19","0.003","90","","92.266","0.005","90","","2241.6","0.8","40","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","μ-azido-[μ-4-(3-methyl-2-pyridylamino)-1-(3-methyl-2-pyridylimino)- 1,2-dihydrophthalazin-2-yl]bis[azidocopper(II)]","","- C20 H17 Cu2 N15 -","- C20 H17 Cu2 N15 -","- C80 H68 Cu8 N60 -","4","1","BM1313","Goeta, Andres E.; Thompson, Laurence K.; Sheppard, Christopher L.; Tandon, Santokh S.; Lehmann, Christian W.; Cosier, John; Webster, Craig; Howard, Judith A.K.","[Cu~2~{1,4-bis[(3-methyl-2-pyridyl)amino]phthalazine ‒H}(N~3~)~3~] at 40K","Acta Crystallographica Section C","1999","55","8","1243","1246","10.1107/S0108270199005648","","","0.71073","MoKα","","0.04","0.028","","0.069","0.063","","","","1.056","1.063","1.063","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008753","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","BM1320","Satyen Saha; Anunay Samanta","The twisted structure of 9-(4-cyanophenyl)carbazole","Acta Crystallographica Section C","1999","55","8","1299","1300","10.1107/S0108270199005752","","","0.71073","MoKα","","0.077","0.043","","","","0.115","","","","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008754","10.39","0.002","14.394","0.003","7.884","0.002","90","","90","","90","","1179.1","0.4","143","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-Iodopyridine","","- C5 H4 I N -","- C5 H4 I N -","- C40 H32 I8 N8 -","8","0.5","BM1321","Ahrens, Birte; Jones, Peter G.","4-Iodopyridine, a structure with very short nitrogen‒iodine contacts","Acta Crystallographica Section C","1999","55","8","1308","1310","10.1107/S0108270199005521","","","0.71073","MoKα","","0.0181","0.0154","","","","0.0343","","","","","","1.127","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008755","7.765","0.001","9.692","0.002","18.855","0.003","90","","90","","90","","1419","0.4","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6R,12R,14R)-(E,E)-12-Hydroxy-6,14-dimethyl-1,7-dioxa-3,9-cyclotetradecadiene- 2,8,11-trione","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","BM1328","Höller, Ulrich; Wright, Anthony D.; König, Gabriele M.; Jones, Peter G.","Colletoketol","Acta Crystallographica Section C","1999","55","8","1310","1313","10.1107/S0108270199005533","","","0.71073","MoKα","","0.0543","0.041","","","","0.103","","","","","","1.067","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008756","9.165","0.003","36.319","0.003","8.353","0.004","90","","90","","90","","2780.4","1.6","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4,5,6,7-hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C104 H136 N8 O40 S8 -","8","1","BM1336","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","2,3,4,5,6,7-Hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1375","1377","10.1107/S0108270199007489","","","0.71069","MoKα","","0.071","0.042","","","","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008757","5.6804","0.0015","11.117","0.002","8.7621","0.0008","90","","94.27","0.013","90","","551.78","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,4,5,6,7,8-hexahydro-10,10-dimethyl-1,2,8-thiadiazecin-9(10H)-one 1,1-dioxide","","- C9 H18 N2 O3 S -","- C9 H18 N2 O3 S -","- C18 H36 N4 O6 S2 -","2","1","BM1340","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","10,10-Dimethyl-1,2,8-thiadiazecan-9-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1378","1380","10.1107/S0108270199007611","","","0.71069","MoKα","","0.028","0.027","","","","0.072","","","","","","1.062","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008758","18.2534","0.0009","6.3271","0.0003","14.7428","0.0007","90","","90","","90","","1702.66","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- O20 P5 Ti3 Tl3 -","- O20 P5 Ti3 Tl3 -","- O80 P20 Ti12 Tl12 -","4","1","BR1228","Harrison, William T. A.","Thallium titanium phosphate, Tl~3~Ti~3~O(PO~4~)~3~(P~2~O~7~)","Acta Crystallographica Section C","1999","55","8","1200","1203","10.1107/S0108270199006721","","","0.71073","MoKα","","0.036","0.033","","","","0.087","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008759","10.2499","0.0009","10.2499","0.0009","6.0322","0.0008","90","","90","","120","","548.84","0.1","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","dysprosium copper germanium selenide","","- Cu Dy3 Ge Se7 -","- Cu Dy3 Ge Se7 -","- Cu2 Dy6 Ge2 Se14 -","2","0.333333","BR1239","Huang, Fu Qiang; Ibers, James A.","Dy~3~CuGeSe~7~","Acta Crystallographica Section C","1999","55","8","1210","1212","10.1107/S0108270199004606","","","0.71073","MoKα","","0.025","0.021","","","","0.053","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008760","9.205","0.003","4.4822","0.001","17.8738","0.0013","90","","90","","90","","737.4","0.3","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag Cl3 Rb2 -","- Ag Cl3 Rb2 -","- Ag4 Cl12 Rb8 -","4","0.5","BR1243","Hasselgren, Catrin; Jagner, Susan","Dirubidium <i>catena</i>-poly[dichloroargentate(I)-μ-chloro]","Acta Crystallographica Section C","1999","55","8","1208","1210","10.1107/S0108270199006277","","","0.71073","MoKα","","","0.035","","","","0.094","","","","","","1.046","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008761","4.7034","0.001","7.1735","0.0013","15.643","0.002","90","","90","","90","","527.79","0.16","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","trilithium tetrabarium tetraarsenide","","- As4 Ba3 Li4 -","- As4 Ba3 Li4 -","- As8 Ba6 Li8 -","2","0.125","BR1246","Monconduit, Laure; Belin, Claude","Lithium barium arsenide, Li~4~Ba~3~As~4~, containing isolated As^3-^ and As~2~^4-^ anions","Acta Crystallographica Section C","1999","55","8","1199","1200","10.1107/S0108270199006927","","","0.71069","MoKα","","0.042","0.038","","","","0.107","","","","","","1.217","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008762","25.119","0.003","11.104","0.004","7.57","0.003","90","","103.53","0.02","90","","2052.8","1.1","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-phenyl-1,2,3,5-dithiadiazolylium chloride","4-phenyl-1,2,3,5-dithiadiazolylium chloride","","- C7.5 H6 Cl2 N2 S2 -","- C7.5 H6 Cl2 N2 S2 -","- C60 H48 Cl16 N16 S16 -","8","1","CF1280","Smith, J. Nicholas B.; Rawson, Jeremy M.; Davies, John E.","A dithiadiazolylium chloride salt from the reaction of 4-phenyl-1,2,3,5-dithiadiazolyl with gold(I) chloride","Acta Crystallographica Section C","1999","55","8","1330","1332","10.1107/S0108270198018022","","","0.71073","MoKα","","0.068","0.044","","0.115","0.102","","","","1.082","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008763","8.783","0.001","13.629","0.002","15.411","0.002","90","","94.71","0.01","90","","1838.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(1,10-Phenanthroline)Nickel(II) Dinitrate Monohydrate","","- C12 H18 N4 Ni O11 -","- C12 H18 N4 Ni O11 -","- C48 H72 N16 Ni4 O44 -","4","1","CF1300","Namouchi Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Tetraaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>)nickel(II) dinitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1248","1250","10.1107/S0108270199004874","","","0.71069","MoKα","","0.0499","0.0352","","0.0877","0.08","","","","1.053","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008764","11.957","0.003","12.966","0.003","13.041","0.003","114.31","0.02","109.41","0.02","94.62","0.02","1681.3","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","3,7:7,8:7,11-tri(μ-thiobenzoate-S:O)-10-(triphenylphosphine-P)-8,9- μH-7-nickela-nido-undecaborane","","- C24 H31 B10 Ni O3 P S3 -","- C24 H31 B10 Ni O3 P S3 -","- C48 H62 B20 Ni2 O6 P2 S6 -","2","1","CF1304","Dou, Jian-Min; Hu,Chun-Hua; Yao, Hai-Jun; Jin, Ruo-Shui; Zheng, Pei-Ju","A three-ring <i>exo</i>-polyhedral-cyclized nickelaundecaborane cluster: [(CH~3~COS)~3~NiB~10~H~7~(PPh~3~)]","Acta Crystallographica Section C","1999","55","8","1226","1228","10.1107/S0108270199004667","","","0.71073","MoKα","","0.088","0.045","","","","0.149","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008765","12.235","0.004","13.719","0.007","16.974","0.007","90","","92.45","0.05","90","","2847","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-butyl-5-methyl-6-(1-oxopyridin-2-yl)-1-{[2'-(1H-tetrazol-5-yl)biphenyl- 4-yl]methyl}-1H-imidazo[5,4-b]pyridine methanol solvate","","- C31 H32 N8 O2 -","- C31 H32 N8 O2 -","- C124 H128 N32 O8 -","4","1","CF1305","Heo, Yong-Seok; Yi, Kyu Yang; Yoo, Sung Eun; Shin, Whanchul","A non-peptide angiotensin II receptor antagonist: 2-butyl-6-methyl-5-(1-oxopyrid-2-yl)-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine methanol solvate","Acta Crystallographica Section C","1999","55","8","1345","1347","10.1107/S0108270199004679","","","0.71073","MoKα","","0.1475","0.0691","","","","0.1937","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008766","10.764","0.003","10.764","0.003","37.939","0.007","90","","90","","90","","4395.8","1.9","298.2","","298.2","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","binaphthalene","","","- C26 H22 O6 -","- C26 H20.5 O6 -","- C208 H164 O48 -","8","1","CF1308","Tachi, Yoshimitsu; Nakayama, Shinya; Tani, Fumito; Ueno, Go; Naruta, Yoshinori","(<i>S</i>)-2,2'-Bis(methoxymethoxy)[1,1'-binaphthyl]-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","8","1351","1353","10.1107/S0108270199004680","","","1.5418","CuKα","","0.0676","0.0413","","","","0.1287","","","","","","1.424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008767","14.623","0.007","9.729","0.005","19.228","0.01","90","","90","","90","","2736","2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Sodium nitrilotriacetatomagnesium pentahydrate","Sodium nitriloacetatomagnesate(1-) pentahydrate","","- C6 H16 Mg N Na O11 -","- C6 H16 Mg N Na O11 -","- C48 H128 Mg8 N8 Na8 O88 -","8","1","CF1309","Kaneyoshi, Masami; Bond, Andrew; Jones, William","Sodium (nitrilotriacetato)magnesate pentahydrate","Acta Crystallographica Section C","1999","55","8","1260","1262","10.1107/S0108270199004886","","","1.54178","CuKα","","0.039","0.03","","","","0.077","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008768","8.3743","0.0004","9.6681","0.0007","10.7682","0.0009","100.195","0.006","104.465","0.005","105.408","0.005","785.71","0.1","293","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl3 O2 Te -","- C12 H15 Cl3 O2 Te -","- C24 H30 Cl6 O4 Te2 -","2","1","DA1059","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Chieffi, André; Zeni, Gilson; Caracelli, I.","Dichloro[(<i>E</i>)-2-chloro-1-(2-hydroxyprop-2-yl)vinyl](4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","8","1339","1342","10.1107/S0108270199004813","","","0.71073","MoKα","","0.031","0.027","","","","0.073","","","","","","1.121","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008769","9.0494","0.0012","17.475","0.002","10.5357","0.001","90","","106.359","0.008","90","","1598.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","[bis(cyclohexylamine)cadmium(II) bis{tricyanocadmate(II)}]-toluene (1/1)","","- C25 H34 Cd3 N8 -","- C25 H34 Cd3 N8 -","- C50 H68 Cd6 N16 -","2","0.5","DA1061","Kim, Chong-Hyeak; Lee, Sueg-Geun; Suh, Il-Hwan","A three-dimensional host framework with small tetragonal and large hexagonal channels","Acta Crystallographica Section C","1999","55","8","1238","1241","10.1107/S0108270199004825","","","0.71073","MoKα","","0.055","0.039","","0.105","0.097","","","","1.042","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008770","10.598","0.002","10.88","0.003","18.824","0.001","75.17","0.01","80.87","0.01","73.72","0.02","2005.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H30 Fe O5 P2 Pt2 Se -","- C41 H30 Fe O5 P2 Pt2 Se -","- C82 H60 Fe2 O10 P4 Pt4 Se2 -","2","1","DA1064","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","A selenium-bridged mixed-metal cluster, (CO)~5~(PPh~3~)~2~FePt~2~(μ~3~-Se)","Acta Crystallographica Section C","1999","55","8","1250","1253","10.1107/S0108270199004837","","","0.71073","MoKα","","0.087","0.045","","","","0.11","","","","","","0.92","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008771","8.0204","0.0005","9.0398","0.001","22.5974","0.0015","90","","96.362","0.006","90","","1628.3","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dimer of 2-methylene-3,4-dihydo-1(2H)-naphthalenone","3,4-dihydronaphthyl[2,3-b]tetrahydropyran- 2-spiro-2'-3,4-dihydro-1(2H)-naphthalenone","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","DA1069","Quail, J. Wilson; Pandeya, Surendra N.; Dimmock, Jonathan R.","3,4,5,6-Tetrahydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-2-spiro-2'-1',2',3',4'-tetrahydronaphthalene-1'-one","Acta Crystallographica Section C","1999","55","8","1349","1351","10.1107/S0108270199005417","","","0.71073","MoKα","","0.047","0.038","","","","0.199","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008772","8.441","0.004","21.879","0.007","15.561","0.004","90","","95.72","0.03","90","","2859.5","1.8","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,2:1,3-di(μ-thioacetato-S:O)-1-(triphenylphosphine-P)-1-ruthena- closo-undecaborane","","- C22 H29 B10 O2 P Ru S2 -","- C22 H29 B10 O2 P Ru S2 -","- C88 H116 B40 O8 P4 Ru4 S8 -","4","1","FG1533","Nie, Yong; Hu, Chun-Hua; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","An <i>exo</i>-polyhedral bicyclic 11-vertex <i>closo</i>-ruthenaborane: [(PPh~3~)(CH~3~COS)~2~RuB~10~H~8~]","Acta Crystallographica Section C","1999","55","8","1224","1226","10.1107/S010827019900462X","","","0.71069","MoKα","","","0.047","","","","0.167","","","","","","1.138","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008773","12.248","0.002","14.377","0.001","19.15","0.002","90","","103.547","0.011","90","","3278.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)","","- C37 H31 N5 O2 Sn -","- C37 H31 N5 O2 Sn -","- C148 H124 N20 O8 Sn4 -","4","1","FG1540","Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng","Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate","Acta Crystallographica Section C","1999","55","8","1234","1236","10.1107/S0108270199004072","","","0.71073","MoKα","","0.088","0.052","","","","0.127","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008774","20.0869","0.0002","13.7875","0.0005","9.4187","0.0006","90","","102.672","0.002","90","","2544.95","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-5-hydroxy-4-iodo-hexahydro-pyrolo[1,2-c][1,3] oxazin-1-one","","- C11 H18 I N O3 -","- C11 H18 I N O3 -","- C88 H144 I8 N8 O24 -","8","2","FG1542","Batey, Robert A.; MacKay, D. Bruce; Lough, Alan J.","3-Butyl-5-hydroxy-4-iodohexahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-one","Acta Crystallographica Section C","1999","55","8","1362","1363","10.1107/S0108270199004497","","","0.71073","MoKα","","0.0336","0.0249","","","","0.0624","","","","","","1.03","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008775","11.966","0.003","8.602","0.001","23.688","0.003","90","","101.09","0.01","90","","2392.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C104 H152 N8 O16 -","8","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.149","0.065","","","","0.162","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008776","11.135","0.002","7.626","0.002","13.58","0.002","90","","90.62","0.01","90","","1153.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.1","0.06","","","","0.151","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008777","12.6008","0.0011","11.349","0.003","15.634","0.002","90","","94.888","0.009","90","","2227.6","0.7","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquotrimethyltin(4-(4-chlorophenyl)-2-phenyl-5-thiazoleacetate)","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetate-O]trimethyltin(IV)","","- C20 H22 Cl N O3 S Sn -","- C20 H22 Cl N O3 S Sn -","- C80 H88 Cl4 N4 O12 S4 Sn4 -","4","1","FG1550","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Khokhar, M. Nawaz","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-<i>O</i>]trimethyltin(IV)","Acta Crystallographica Section C","1999","55","8","1280","1282","10.1107/S0108270199005120","","","1.54178","CuKα","","0.055","0.043","","","","0.114","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008778","7.581","0.001","8.663","0.001","11.475","0.001","90","","106.44","0.01","90","","722.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DM08","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","FR1146","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Vasconcellos, Mario L. A. A.; Barreiros, Uendel G.","(1<i>R</i>,2<i>R</i>,3<i>R</i>,3'<i>R</i>,4<i>R</i>)-3-[(2-Furyl)hydroxymethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary","Acta Crystallographica Section C","1999","55","8","1295","1297","10.1107/S0108270199000645","","","0.71073","MoKα","","0.11","0.052","","0.122","0.11","","","","0.905","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008779","10.1962","0.0002","10.1962","0.0002","21.0571","0.0007","90","","90","","90","","2189.15","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Dichloro-(tetrahydrogen-ethylenediamine-tetraacetate)-palladium(II) hexahydrate","","- C10 H28 Cl2 N2 O14 Pd -","- C10 H28 Cl2 N2 O14 Pd -","- C40 H112 Cl8 N8 O56 Pd4 -","4","0.5","FR1173","Xue-mei Luo; Xiao-hua Chen; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Long-gen Zhu","Dichloro(ethylenediaminetetraacetic acid)palladium(II) hexahydrate","Acta Crystallographica Section C","1999","55","8","1220","1222","10.1107/S0108270199005958","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008780","9.6507","0.0002","14.277","0.0003","15.0369","0.0004","75.17","0.001","82.067","0.001","83.358","0.001","1976.65","0.08","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","Bis [bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(II)]","","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","1","0.5","FR1185","Geiser, Urs; Mercuri, Maria Laura; Parakka, James P.","Bis[bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)]","Acta Crystallographica Section C","1999","55","8","1253","1255","10.1107/S0108270199004692","","","0.71073","MoKα","","0.095","0.059","","","","0.122","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008781","9.919","0.007","19.331","0.007","11.08","0.008","90","","96.53","0.06","90","","2111","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2S*,4S*,5R*,5'S*)-4-methyl-2-(3'-methyl-2'- isoxazolin-5'-yl)-5-phenyl-3-(toluene-4""- sulfonyl)oxazolidin","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C84 H96 N8 O16 S4 -","4","1","FR1188","Rochon, Fernande D.; Breau, Livain","(2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-4-Methyl-2-[(5<i>S</i>*)-3-methyl-4,5-dihydroisoxazol-5-yl]-5-phenyl-3-(toluene-4-sulfonyl)oxazolidine","Acta Crystallographica Section C","1999","55","8","1373","1375","10.1107/S0108270199005557","","","0.71073","MoKα","","0.191","0.066","","0.098","0.074","","","","1.037","1.265","1.265","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008782","6.955","0.0008","14.4941","0.0011","12.2793","0.0008","90","","101.523","0.007","90","","1212.88","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-N-(6-Bromocyclohex-2-enyl)pyridinium bromide","","- C11 H13 Br2 N -","- C11 H13 Br2 N -","- C44 H52 Br8 N4 -","4","1","FR1193","Han, Xinghua; Baker, Ronald J.; Masnovi, John","<i>trans</i>-(6-Bromo-2-cyclohexen-1-yl)pyridinium bromide","Acta Crystallographica Section C","1999","55","8","1360","1361","10.1107/S0108270199004709","","","0.7093","MolybdenumKα","","0.045","0.045","","0.041","","0.041","","","","","","1.78","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008783","7.1732","0.0017","21.285","0.006","12.28","0.003","90","","92.05","0.02","90","","1873.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[Aquo(1,10-phenanthroline)(L-prolinato)copper(II)] nitrate hydrate","","- C34 H40 Cu2 N8 O14 -","- C34 H40 Cu2 N8 O14 -","- C68 H80 Cu4 N16 O28 -","2","1","FR1195","Venkatraman, Ramaiyer; Zubkowski, Jeffrey D.; Valente, Edward J.","Aqua(1,10-phenanthroline)(<small>L</small>-prolinato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1241","1243","10.1107/S0108270199005570","","","0.71073","MoKα","","0.075","0.042","","","","0.101","","","","","","0.744","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008784","5.6134","0.0001","9.9847","0.0003","21.5896","0.0002","90","","93.639","0.001","90","","1207.62","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(2,5-dibromophenyl)propenamide","","- C11 H8 Br2 N2 O2 -","- C11 H8 Br2 N2 O2 -","- C44 H32 Br8 N8 O8 -","4","1","FR1196","Ghosh, Sutapa","α-Cyano-<i>N</i>-(2,5-dibromophenyl)-β-hydroxybut-2-enamide","Acta Crystallographica Section C","1999","55","8","1364","1365","10.1107/S0108270199005727","","","0.71073","MoKα","","0.0532","0.0402","","","","0.0996","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008785","11.511","0.004","22.022","0.003","12.521","0.002","90","","107.71","0.02","90","","3023.6","1.3","294","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Cl6 N10 Ni2 O16 -","- C48 H68 Cl6 N10 Ni2 O16 -","- C96 H136 Cl12 N20 Ni4 O32 -","2","0.5","FR1198","Bing Tong; Richard E. Norman; Shih-Chi Chang","Di-μ-chloro-bis{[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]nickel(II)} bis(triethylammonium) tetraperchlorate","Acta Crystallographica Section C","1999","55","8","1236","1238","10.1107/S010827019900596X","","","0.7107","MoKα","","0.097","0.045","","0.06","","0.054","","","1.672","","","1.96","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2008786","6.905","0.003","11.05","0.006","16.835","0.002","90","","90","","90","","1284.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","iodo(di-n-propyldithiocarbamato)selenium(II)","catena-μ-iodo-(di-n-propyldithiocarbamato)selenium(II)","","- C7 H14 I N S2 Se -","- C7 H14 I N S2 Se -","- C28 H56 I4 N4 S8 Se4 -","4","1","GD1008","S. Rajashree; G. Aravamudan; Kandasamy Sivakumar","The first mixed iodide‒dithiocarbamate complex of selenium(II): <i>catena</i>-poly[[(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')selenium(II)]-μ-iodo]","Acta Crystallographica Section C","1999","55","8","1320","1322","10.1107/S0108270199003996","","","0.71069","MoKα","","0.051","0.035","","","","0.094","","","","","","1.092","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008787","12.758","0.003","6.964","0.001","16.053","0.003","90","","90","","90","","1426.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1236","0.0585","","","","0.1804","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008788","12.756","0.003","6.87","0.001","15.74","0.003","90","","90","","90","","1379.4","0.5","90","0.1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(N-Methylnitramino)-pyridine 1-oxide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1045","0.0575","","","","0.1462","","","","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008789","7.9167","0.0007","22.1936","0.0016","9.9382","0.0011","90","","96.612","0.011","90","","1734.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Ferrocenoyl glycine benzyl ester","N-Ferrocenoyl glycine benzyl ester","","- C20 H19 Fe N O3 -","- C20 H19 Fe N O3 -","- C80 H76 Fe4 N4 O12 -","4","1","GD1028","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intramolecular C—H···O and intermolecular N—H···O and C—H···O interactions in <i>N</i>-ferrocenoylglycine benzyl ester, an effective dihydrogen phosphate anion sensing agent","Acta Crystallographica Section C","1999","55","8","1257","1260","10.1107/S010827019900520X","","","0.7107","MolybdenumKα","","0.0703","0.0427","","","","0.0851","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008790","7.338","0.001","8.6269","0.0005","8.877","0.001","80.98","0.01","84.62","0.01","72.65","0.01","529.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-suberato-O,O':O'',O''']","","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0319","0.0317","","","","0.0876","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008791","6.85","0.004","9.071","0.003","11.208","0.004","74.68","0.03","74.46","0.03","71.13","0.03","622.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-sebacato-O,O':O'',O'''] Dihydrate","","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0473","0.042","","","","0.115","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008792","5.2214","0.0001","13.1487","0.0002","13.4792","0.0002","119.075","0.001","91.46","0.001","90.094","0.001","808.43","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","4,6-Bis(benzyloxy)-1,3,5-triazin-2-amine","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C34 H32 N8 O4 -","2","1","JZ1354","Bolte, Michael; Sommer, Andrea; Noe, Christian Roland","4,6-Bis(benzyloxy)-1,3,5-triazin-2-ylamine","Acta Crystallographica Section C","1999","55","8","1304","1306","10.1107/S0108270199005971","","","0.71073","MoKα","","0.0522","0.0429","","0.1201","0.1114","0.1201","","","1.13","","","1.13","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008793","11.124","0.002","14.78","0.003","7.129","0.001","90","","93.17","0.03","90","","1170.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","JZ1357","Degen, Alexander; Bolte, Michael","2-(p-Toluoyl)benzoic acid","Acta Crystallographica Section C","1999","55","8","1306","1308","10.1107/S0108270199006150","","","0.71073","MoKα","","0.134","0.058","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008794","5.0861","0.001","12.198","0.002","13.76","0.002","90","","96.07","0.015","90","","848.9","0.3","293","2","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","KA1296","Velikova, Velichka; Bakardjeva,Snejana; Angelova,Olyana","<i>N</i>-(2-Pyridinium)urea nitrate","Acta Crystallographica Section C","1999","55","8","1328","1330","10.1107/S0108270199000876","","","0.71073","MoKα","","0.0665","0.0475","","","","0.1338","","","","","","1.068","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008795","9.019","0.003","17.061","0.004","9.458","0.004","90","","93.9","0.04","90","","1452","0.9","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H40 Cl3 N O11 Pt S -","- C17 H40 Cl3 N O11 Pt S -","- C34 H80 Cl6 N2 O22 Pt2 S2 -","2","1","KA1320","Bruhn, Clemens; Gravenhorst, Olaf; Wagner, Christoph; Steinborn, Dirk","(<small>L</small>-2-Ammonio-4-methylsulfinylbutanoic acid-κ<i>S</i>)trichloroplatinum(II)‒18-crown-6‒water (1/1/2)","Acta Crystallographica Section C","1999","55","8","1255","1257","10.1107/S0108270199005132","","","0.71073","MoKα","","0.0369","0.0342","","0.0854","","0.0841","","","1.054","","","1.071","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2008796","9.4376","0.0007","13.168","0.002","10.035","0.002","90","","96.71","0.02","90","","1238.6","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","m-nitroglutethimide","3-(3'-nitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0518","0.0388","","","","0.1114","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008797","8.5629","0.0018","8.8741","0.0015","10.594","0.002","114.483","0.008","108.831","0.008","92.235","0.008","679.3","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","o,p-dinitroglutethimide","3-(2',4'-dinitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C26 H26 N6 O12 -","2","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0512","0.0392","","","","0.1141","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008798","6.804","0.0008","10.0373","0.001","18.682","0.002","90","","90","","90","","1275.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyisoguanosine","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C44 H64 N16 O20 -","4","1","KA1322","Seela, Frank; Wei, Changfu; Reuter, Hans; Kastner, Guido","7-Deaza-2'-deoxyisoguanosine adopts the form of an N1—H,2-keto tautomer","Acta Crystallographica Section C","1999","55","8","1335","1337","10.1107/S0108270199005685","","","0.71073","MoKα","","0.0553","0.0423","","","","0.1024","","","","","","1.078","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008799","8.1754","0.0009","8.2776","0.0009","25.696","0.004","84.509","0.011","84.279","0.012","89.941","0.009","1722.3","0.4","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","2-Aminobenzimidazolium Nitrate","","- C7 H8 N4 O3 -","- C7 H8 N4 O3 -","- C56 H64 N32 O24 -","8","4","KA1323","Bats, Jan W.; Gördes, Dirk; Schmalz, Hans-Günther","2-Aminobenzimidazolium nitrate at 152K, a triclinic crystal structure with pronounced local pseudo-symmetry","Acta Crystallographica Section C","1999","55","8","1325","1328","10.1107/S0108270199004710","","","0.71073","MoKα","","0.0571","0.0432","","","","0.1042","","","","","","1.675","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008800","9.0064","0.0014","10.8717","0.0011","17.585","0.002","90","","103.717","0.011","90","","1672.7","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 O2 P2 Pt -","- C42 H34 O2 P2 Pt -","- C84 H68 O4 P4 Pt2 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0391","0.0348","","0.0806","0.0797","","","","0.97","1.023","1.023","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008801","9.0177","0.0007","10.9977","0.0008","17.9351","0.0012","90","","102.093","0.002","90","","1739.2","0.2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 P2 Pt S2 -","- C42 H34 P2 Pt S2 -","- C84 H68 P4 Pt2 S4 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0192","0.0184","","0.0465","0.0456","","","","1.124","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008802","10.338","0.002","16.142","0.003","26.162","0.004","90","","93.952","0.01","90","","4355.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 O2 P2 Pt -","- C45 H77 O2 P2 Pt -","- C180 H308 O8 P8 Pt4 -","4","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.1158","0.0558","","0.092","0.0767","","","","1.029","1.102","1.102","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008803","10.866","0.002","12.39","0.001","11.845","0.001","90","","101.2","0.01","90","","1564.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]methylidene}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C52 H60 N8 O20 P4 S4 -","4","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.093","0.038","","","","0.11","","","","","","0.943","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008804","7.666","0.003","15.521","0.002","7.47","0.002","101.53","0.02","115.5","0.03","91.91","0.03","778.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]carbonyl}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C26 H30 N4 O10 P2 S2 -","2","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.045","0.035","","","","0.119","","","","","","1.085","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008805","8.9162","0.0001","9.6764","0.0001","20.0766","0.0001","78.536","0.001","81.52","0.001","83.922","0.001","1673.78","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3- propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate","","- C28 H38 Cl2 Mn N4 O13 -","- C28 H38 Cl2 Mn N4 O13 -","- C56 H76 Cl4 Mn2 N8 O26 -","2","1","NA1412","R. Thirumurugan; S. Shanmuga Sundara Raj; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1218","1220","10.1107/S0108270199005016","","","0.71073","MoKα","","0.073","0.064","","","","0.207","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008806","10.546","0.001","14.229","0.001","10.807","0.001","90","","99.75","0.01","90","","1598.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N' - Bis[2-hydroxy-3-morpholinomethyl)-5-methyl]benzyl ethylenediamino copper(II) perchlorate. dihydrate","","- C28 H45 Cl Cu N4 O10 -","- C28 H45 Cl Cu N4 O10 -","- C56 H90 Cl2 Cu2 N8 O20 -","2","1","NA1413","Shanmuga Sundara Raj, S.; Velmurugan, D.; Gunasekaran, K.; Fun, Hoong-Kun; Manonmani, J.; Kandaswamy, M.","{4,4'-Dimethyl-6'-morpholiniomethyl-6-mor-pholinomethyl-2,2'[1,2-ethanediylbis(iminomethylene)]diphenolato}copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1999","55","8","1222","1224","10.1107/S0108270199005776","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008807","8.4551","0.0002","8.9044","0.0002","10.7293","0.0003","91.142","0.001","107.437","0.001","113.035","0.001","700.5","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzoyl-N'-methyl-N'-phenyl thiourea","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.069","0.041","","","","0.104","","","","","","0.925","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008808","5.4664","0.0001","28.0208","0.0004","9.8585","0.0001","90","","94.262","0.001","90","","1505.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N'-(3,4-dimethylphenyl)thiourea","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.077","0.053","","","","0.165","","","","","","1.056","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008809","7.498","0.004","9.666","0.005","28.04","0.02","90","","90","","90","","2032","2","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-8-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo [4,5,1-jk][1,4]benzodiazepinium-2(1H)-thione Bromide Methanol Solvate","","- C17 H25 Br Cl N3 O S -","- C17 H25 Br Cl N3 O S -","- C68 H100 Br4 Cl4 N12 O4 S4 -","4","1","NA1419","Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","(<i>S</i>)-8-Chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1<i>H</i>-4,5,6,7-tetrahydroimidazo[4,5,1-<i>jk</i>][1,4]benzodiazepinium bromide methanol solvate","Acta Crystallographica Section C","1999","55","8","1322","1325","10.1107/S0108270199005892","","","0.71073","MoKα","","0.082","0.046","","0.108","","0.108","","","1.052","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008810","10.78","0.003","11.004","0.003","12.108","0.002","90","","90","","90","","1436.3","0.6","298.2","","298.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","Tetrakis(methylamine)oxalatocobalt(III)","","","- C6 H20 Cl Co N4 O8 -","- C6 H20 Cl Co N4 O8 -","- C24 H80 Cl4 Co4 N16 O32 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.064","","","","0.048","","","","","","1.287","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008811","10.128","0.003","13.538","0.003","14.994","0.003","90","","103.23","0.01","90","","2001.3","0.8","298.2","","298.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetrakis(ethylamine)oxalatocobalt(III)","","","- C10 H30 Cl Co N4 O9 -","- C10 H30 Cl Co N4 O9 -","- C40 H120 Cl4 Co4 N16 O36 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.066","","","","0.045","","","","","","1.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008812","13.093","0.002","8.836","0.001","14.724","0.001","90","","92.913","0.008","90","","1701.2","0.3","296","5","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O3 S Zn -","- C14 H18 N4 O3 S Zn -","- C56 H72 N16 O12 S4 Zn4 -","4","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.067","0.036","","0.109","0.095","","","","1.029","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008813","9.5284","0.0015","10.829","0.002","8.863","0.003","91.94","0.03","94","0.02","101.698","0.013","892.3","0.4","293","3","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 O7 S Zn -","- C12 H16 N6 O7 S Zn -","- C24 H32 N12 O14 S2 Zn2 -","2","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.119","0.04","","0.12","0.093","","","","0.959","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008814","25.493","0.0013","49.577","0.003","9.1095","0.0005","90","","90","","90","","11513.2","1.1","223","2","223","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C480 H464 Cl48 N16 Ni8 O16 P16 Pd16 -","8","0.5","OA1087","Kamiyama, Asako; Kajiwara, Takashi; Ito, Tasuku","A trinuclear Pd~2~Ni complex, [(C~6~H~5~)~4~ P]~2~[(PdCl~3~)~2~{Ni(C~12~H~18~N~2~O~2~)}]","Acta Crystallographica Section C","1999","55","8","1282","1284","10.1107/S0108270199005545","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","0.959","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008815","12.565","0.002","10.784","0.001","14.512","0.001","90","","105.716","0.008","90","","1892.9","0.4","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.1]paracyclophane","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","0.7107","MoKα","","","0.0613","","","0.0535","","","","","1.341","1.341","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008816","14.345","0.003","7.585","0.003","19.248","0.002","90","","105.57","0.01","90","","2017.5","0.9","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.2]paracyclophane","","","- C24 H24 S2 -","- C24 H24 S2 -","- C96 H96 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","1.5418","CuKα","","","0.0421","","","0.0444","","","","","1.484","1.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008817","13.939","0.005","16.806","0.005","15.596","0.004","90","","107.11","0.02","90","","3491.8","1.9","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetrahydrofuran)(meso-tetraethylporphyrinato)iron(III) perchlorate","","- C36 H44 Cl Fe N4 O6 -","- C36 H44 Cl Fe N4 O6 -","- C144 H176 Cl4 Fe4 N16 O24 -","4","0.5","OB1008","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","(<i>meso</i>-Tetraethylporphyrinato)bis(tetrahydrofuran)iron(III) perchlorate","Acta Crystallographica Section C","1999","55","8","1284","1286","10.1107/S0108270199005429","","","0.71069","MoKα","","0.117","0.054","","","","0.157","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008818","7.8427","0.0012","10.2644","0.0013","16.961","0.002","90","","90","","90","","1365.4","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","OS1048","Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine","5,7-Diphenyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine at 122K","Acta Crystallographica Section C","1999","55","8","1337","1339","10.1107/S0108270199004631","","","1.54184","CuKα","","0.0315","0.0311","","","","0.0809","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008819","8.217","0.002","16.7363","0.0011","12.029","0.004","90","","100.53","0.04","90","","1626.4","0.7","208","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-difluoro-chloro-tris(pyridine)-osmium-(III)","","- C15 H15 Cl F2 N3 Os -","- C15 H15 Cl F2 N3 Os -","- C60 H60 Cl4 F8 N12 Os4 -","4","1","OS1051","Kolf, Stephan; Preetz, Wilhelm","<i>trans</i>-Chlorodifluorotris(pyridine-<i>N</i>)osmium(III)","Acta Crystallographica Section C","1999","55","8","1216","1218","10.1107/S010827019900205X","","","0.71069","MoKα","","0.03","0.02","","","","0.059","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008820","7.203","0.001","7.67","0.002","12.197","0.002","90","","99.1","0.03","90","","665.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","OS1054","Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.","An N···H—O intramolecular strong hydrogen bond in <i>N</i>-(2-aminophenyl)naphthaldimine","Acta Crystallographica Section C","1999","55","8","1368","1369","10.1107/S0108270199004527","","","1.54178","CuKα","","0.0344","0.0318","","","","0.1067","","","","","","1.039","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008821","10.2215","0.0002","20.8692","0.0004","12.87","0.0001","90","","98.13","0.001","90","","2717.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O6 S -","- C30 H26 N2 O6 S -","- C120 H104 N8 O24 S4 -","4","1","OS1056","Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun","Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-<i>b</i>]indol-3-yl)maleate","Acta Crystallographica Section C","1999","55","8","1315","1317","10.1107/S010827019900565X","","","0.71073","MoKα","","0.07","0.0487","","","","0.1756","","","","","","1.129","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008822","8.7236","0.0018","9.748","0.003","8.134","0.0019","98.28","0.02","109.745","0.016","100.48","0.02","624.2","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.077","0.0429","","","","0.1061","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008823","18.5108","0.0018","6.644","0.004","21.2349","0.0015","90","","105.69","0.006","90","","2514.3","1.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.0785","0.0431","","","","0.1179","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008824","5.3724","0.0004","5.3724","0.0004","11.7932","0.0016","90","","90","","90","","340.38","0.06","297","1","297","1","","","","","","","","3","I 41/a :2","-I 4ad","88","none","Silver Perrhenate","","- Ag O4 Re -","- Ag O4 Re -","- Ag4 O16 Re4 -","4","0.25","QA0115","Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov","Silver perrhenate, AgReO~4~","Acta Crystallographica Section C","1999","55","8","IUC9900097","","10.1107/S0108270199099138","","","0.71073","MoKα","","0.025","0.022","","","","0.049","","","","","","1.133","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008825","7.464","0.0016","7.85","0.0019","11.778","0.004","90","0.02","99.4","0.02","90","0.02","680.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2-Amino-4,6-dimethyl-1,3,5-triazine]","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","1","QA0130","Becker, Michael; Jansen, Martin","2-Amino-4,6-dimethyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","8","IUC9900094","","10.1107/S0108270199099060","","","0.71079","MoKα","","0.074","0.064","","","","0.205","","","","","","1.113","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008826","22.478","0.004","9.718","0.002","8.734","0.002","90","","102.62","0.03","90","","1861.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-ethyl-N-iso-propyldithiocarbamato)lead(II)","","- C12 H24 N2 Pb S4 -","- C12 H24 N2 Pb S4 -","- C48 H96 N8 Pb4 S16 -","4","0.5","QA0132","Ng, Seik Weng","Space-group revision for bis(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato)lead(II)","Acta Crystallographica Section C","1999","55","8","IUC9900091","","10.1107/S0108270199099102","","","0.71073","MoKα","","0.053","0.032","","","","0.084","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008827","11.904","0.004","12.042","0.002","15.436","0.004","90","","112.48","0.02","90","","2044.6","1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Br2 Li2 N4 -","- C12 H32 Br2 Li2 N4 -","- C48 H128 Br8 Li8 N16 -","4","1","QA0138","Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Moran, Paul H.","Redetermination of di-μ-bromo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')lithium]","Acta Crystallographica Section C","1999","55","8","IUC9900078","","10.1107/S0108270199099096","","","0.71069","MoKα","","0.1066","0.0363","","0.0486","0.0403","","","","","1.228","1.228","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008828","11.473","0.001","7.28","0.001","12.546","0.001","90","0.001","91.02","0.001","90","0.001","1047.72","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008829","6.8758","0.0004","13.7186","0.0007","22.187","0.001","90","0.01","94.666","0.003","90","0.01","2085.88","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","2","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.047","","","","0.064","","","","","","1.235","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008830","5.758","0.001","5.758","0.001","24.498","0.001","90","","90","","120","","703.4","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Dicalcium aluminium hydroxide bromide dihydrate","","- Al Br Ca2 H10 O8 -","- Al Br Ca2 H9.9996 O8 -","- Al3 Br3 Ca6 H29.9988 O24 -","3","0.166667","QA0141","Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel","The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","8","IUC9900092","","10.1107/S0108270199099126","","","0.56087","AgKα","","0.024","0.021","","","","0.075","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008831","15.8643","0.0001","6.0887","0.0001","20.3014","0.0001","90","","104.227","0.001","90","","1900.83","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-bis-indolyl (4-methylphenyl) methane","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","QA0142","R. Krishna; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; G. Babu; P. T. Perumal","Bis(indol-3-yl)(4-methylphenyl)methane","Acta Crystallographica Section C","1999","55","8","IUC9900084","","10.1107/S0108270199099047","","","0.71073","MoKα","","0.105","0.066","","","","0.2","","","","","","1.081","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008832","9.0236","0.0001","14.373","0.0001","19.7887","0.0001","90","","92.899","0.001","90","","2563.23","0.04","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 I2 P2 Pt -","- C25 H22 I2 P2 Pt -","- C100 H88 I8 P8 Pt4 -","4","1","QA0143","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","Diiodo[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']platinum(II), [PtI~2~(dppm)]","Acta Crystallographica Section C","1999","55","8","IUC9900083","","10.1107/S0108270199099084","","","0.71073","MoKα","","0.044","0.028","","","","0.061","","","","","","1.039","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008833","13.77","0.003","9.491","0.002","8.205","0.002","90","","98.28","0.03","90","","1061.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-bis(4H-1,2,4-triazol-4-yl)benzene monohydrate","1,4-Phenylene-bis(1,3,4-triazole) monohydrate","","- C10 H10 N6 O -","- C10 H10 N6 O -","- C40 H40 N24 O4 -","4","0.5","QA0144","Cai, Hu; Hu, Huai-Ming; Chen, Wan-Zhi; Xu, Yan; You, Xiao-Zeng","1,4-Bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene monohydrate","Acta Crystallographica Section C","1999","55","8","IUC9900082","","10.1107/S0108270199099035","","","0.71073","MoKα","","0.086","0.052","","0.135","","0.122","","","0.992","","","1.094","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008834","10.619","0.005","30.105","0.014","10.582","0.003","90","","90","","90","","3383","2","158","2","158","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","QA0145","Kovalevsky, A. Yu.","Redetermination of <i>N</i>-acetylanthranilic acid at 158K","Acta Crystallographica Section C","1999","55","8","IUC9900093","","10.1107/S0108270199099023","","","0.71073","MoKα","","0.047","0.034","","0.198","","0.105","","","1.142","","","1.15","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008835","8.665","0.002","9.365","0.005","16.429","0.003","90","","99.84","0.01","90","","1313.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","QA0148","Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya","(3<i>S</i>,4<i>R</i>)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one","Acta Crystallographica Section C","1999","55","8","IUC9900096","","10.1107/S0108270199099011","","","0.71073","MoKα","","0.084","0.047","","0.155","","0.123","","","1.072","","","1.175","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008836","10.5481","0.0005","8.9867","0.0004","18.5961","0.0009","90","","94.426","0.001","90","","1757.52","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylhydroxy-(cyclopentadienyl (cyclopentadienyl)iron)-1,2-dicarba-closo-dodecaborane","","- C13 H22 B10 Fe O -","- C13.005 H22 B10 Fe O -","- C52.02 H88 B40 Fe4 O4 -","4","1","QB0085","Crundwell, Guy; Arellanes, Chuauthemoc; Gomez, Frank; Kantardjieff, Katherine","1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarba-<i>closo</i>-dodecaborane","Acta Crystallographica Section C","1999","55","8","IUC9900087","","10.1107/S0108270199099072","","","0.71073","MoKα","","0.057","0.041","","","","0.093","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008837","19.1266","0.0019","8.2451","0.0008","10.0462","0.001","90","","90","","90","","1584.3","0.3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","d,l-2,4-bis(phenylthio)-3-pentanone","","- C17 H18 O S2 -","- C17 H18 O S2 -","- C68 H72 O4 S8 -","4","0.5","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.097","0.058","","","","0.136","","","","","","0.948","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008838","8.351","0.0013","14.027","0.002","16.201","0.003","90","","90","0.003","90","","1897.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","d,l-2,4-bis(2',6'dimethylphenylthio)-3-pentanone","","- C21 H26 O S2 -","- C21 H26 O S2 -","- C84 H104 O4 S8 -","4","1","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.078","0.048","","","","0.101","","","","","","1","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008839","13.6707","0.001","10.4841","0.001","13.9479","0.0012","90","","115.943","0.006","90","","1797.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1-isobutyrylimidazolidine","","- C16 H19 Cl2 N3 O3 -","- C16 H19 Cl2 N3 O3 -","- C64 H76 Cl8 N12 O12 -","4","1","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.059","0.039","","","","0.11","","","","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008840","42.7786","0.0003","9.2896","0.0002","22.7485","0.0003","90","","104.407","0.001","90","","8755.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C20 H25 Cl2 N3 O4 -","- C20 H25 Cl2 N3 O4 -","- C320 H400 Cl32 N48 O64 -","16","2","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.199","0.083","","","","0.213","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008841","13.73","0.0001","8.54","0.0001","19.741","0.0001","90","","96.363","0.001","90","","2300.46","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-hydroxymethyl-2,6-dichlorophenylimino)imidazolidine","","- C10 H11 Cl2 N3 O -","- C10 H11 Cl2 N3 O -","- C80 H88 Cl16 N24 O8 -","8","2","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.049","0.036","","0.094","0.085","","","","1.05","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008842","12.0244","0.0001","21.8128","0.0001","9.5663","0.0001","90","","101.403","0.001","90","","2459.58","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-isobutyryloxymethyl-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C22 H29 Cl2 N3 O4 -","- C22 H29 Cl2 N3 O4 -","- C88 H116 Cl8 N12 O16 -","4","1","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.126","0.075","","","","0.233","","","","","","0.97","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008843","8.301","0.002","9.287","0.002","6.791","0.002","98.67","0.02","100.73","0.02","70.49","0.02","482.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C22 H34 O4 -","1","0.5","QB0097","Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn","(3<i>S</i>,3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-3-{2-[(3<i>R</i>,3a<i>S</i>,6<i>R</i>,7a<i>S</i>)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-6-ol","Acta Crystallographica Section C","1999","55","8","IUC9900089","","10.1107/S0108270199098972","","","0.71073","MoKα","","0.047","0.036","","","","0.105","","","","","","1.063","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008844","6.781","0.001","6.781","0.001","18.835","0.004","90","","90","","90","","866.1","0.3","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","nickel arsenate","nickel arsenate","","- As3 Ni4.35 O12 -","- As3 Ni4.356 O12 -","- As12 Ni17.424 O48 -","4","0.25","QB0098","Jacques Barbier","Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~","Acta Crystallographica Section C","1999","55","8","IUC9900080","","10.1107/S0108270199099114","","","0.56086","AgKα","","0.041","0.029","","0.055","0.051","","","","0.896","0.954","0.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008845","7.844","0.003","7.035","0.003","17.696","0.007","90","","100.6","0.03","90","","959.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C36 H48 N4 O8 S2 -","2","1","QB0102","Wei Zhu; Guishu Yang; Kaibai Yu","(<i>R</i>~S~)-(1<i>R</i>,2<i>S</i>,3<i>R</i>)-2-Methoxy-1,7,7-trimethyl-<i>N</i>-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide","Acta Crystallographica Section C","1999","55","8","IUC9900090","","10.1107/S0108270199098960","","","0.71073","MoKα","","0.105","0.041","","","","0.088","","","","","","0.782","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008846","8.3947","0.0004","12.015","0.0005","12.8347","0.0006","90","","101.527","0.001","90","","1268.43","0.1","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Kemp's acid","cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","QB0103","Alan Hazell; Hans Toftlund","Kemp's acid at 120K","Acta Crystallographica Section C","1999","55","8","IUC9900079","","10.1107/S0108270199098959","","","0.71073","MoKα","","","0.031","","","","0.04","","","","","","1.505","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008847","15.6977","0.0001","8.7328","0.0001","21.2064","0.0005","90","","90","","90","","2907.08","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C136 H120 N24 O16 -","8","1","QB0104","Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You","5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol","Acta Crystallographica Section C","1999","55","8","IUC9900095","","10.1107/S0108270199098947","","","0.71073","MoKα","","0.092","0.068","","","","0.136","","","","","","1.225","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008848","6.794","0.0005","6.794","0.0005","11.9557","0.0011","90","","90","","90","","551.86","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Copper(II)-cyclopropane-1,1-carboxylate","Copper(II)-cyclopropane-1,1-carboxylate","","- C5 H4 Cu O4 -","- C5 H4 Cu O4 -","- C20 H16 Cu4 O16 -","4","0.5","SK1210","Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel","Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)","Acta Crystallographica Section C","1999","55","8","1247","1248","10.1107/S0108270199005867","","","0.71073","MoKα","","0.0195","0.0184","","","","0.0477","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008849","10.293","0.002","11.909","0.002","10.252","0.002","90","","90","","90","","1256.7","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","tricαesium niobium tetraselenide","","- Cs3 Nb Se4 -","- Cs3 Nb Se4 -","- Cs12 Nb4 Se16 -","4","0.5","SK1211","Krause, Oliver; Näther, Christian; Bensch, Wolfgang","Cs~3~NbSe~4~","Acta Crystallographica Section C","1999","55","8","1197","1199","10.1107/S0108270199004941","","","0.71073","MoKα","","0.057","0.036","","","","0.095","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008850","19.784","0.009","11.101","0.009","12.384","0.004","90","","106.59","0.02","90","","2607","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(N,N'-diphenylguanidinium) oxalate","","- C28 H28 N6 O4 -","- C28 H28 N6 O4 -","- C112 H112 N24 O16 -","4","0.5","SK1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","Bis(<i>N</i>,<i>N</i>'-diphenylguanidinium) oxalate","Acta Crystallographica Section C","1999","55","8","1290","1292","10.1107/S010827019900493X","","","0.71073","MoKα","","0.087","0.035","","","","0.095","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008851","29.277","0.002","8.9805","0.0008","9.8486","0.0006","90","","106.248","0.0001","90","","2486","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C104 H156 N4 O16 -","4","1","SX1054","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","<i>N</i>-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide","Acta Crystallographica Section C","1999","55","8","1297","1299","10.1107/S0108270198017466","","","0.71073","MoKα","","0.074","0.047","","0.133","0.107","","","","1.145","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008852","7.935","0.007","8.656","0.003","9.389","0.003","90","","97.87","0.04","90","","638.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate","","- C11 H16 O6 -","- C11 H16 O6 -","- C22 H32 O12 -","2","1","SX1084","Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane","(1<i>S</i>,2<i>S</i>,5<i>S</i>,6<i>S</i>)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate","Acta Crystallographica Section C","1999","55","8","1347","1349","10.1107/S0108270199004953","","","0.71069","MoKα","","0.06","0.047","","","","0.145","","","","","","1.041","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008853","9.556","0.003","11.007","0.003","12.713","0.004","111.67","0.02","107.02","0.02","99.25","0.02","1132.6","0.7","158","2","158","2","","","","","","","","4","P 1","P 1","1","","(1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol","","- C24 H29 O7 P -","- C24 H29 O7 P -","- C48 H58 O14 P2 -","2","2","TA1226","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-(diphenylphosphinoyl)-<i>chiro</i>-inositol, a hydrogen-bonded dimeric structure","Acta Crystallographica Section C","1999","55","8","1353","1355","10.1107/S0108270199006769","","","0.71073","MoKα","","0.097","0.068","","0.181","0.161","","","","0.998","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008854","7.927","0.003","6.159","0.002","22.47","0.01","90","","97.76","0.04","90","","1087","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II)","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","TA1230","Jian, Fangfang; Wang, Zuoxiang; Wei, Chen; Bai, Zhiping; You, Xiaozeng","Bis(1-methylimidazole-<i>N</i>^3^)bis(salicylato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","8","1228","1230","10.1107/S0108270199002590","","","0.71073","MoKα","","0.055","0.041","","0.107","0.101","","","","1.054","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008855","13.731","0.0006","9.1357","0.0005","10.8227","0.0005","90","","98.852","0.004","90","","1341.45","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis(N-methylene-2-pyrrolidone)glycine","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","TA1237","Xiang-Jun Zheng; Zhe-Ming Wang; Yan-Qia Wang; Lin-Pei Jin; Jian-Quan Guo; Chun-Hua Yan","<i>N</i>,<i>N</i>-Bis(2-oxopyrrolidin-1-ylmethyl)glycine","Acta Crystallographica Section C","1999","55","8","1333","1335","10.1107/S0108270199005259","","","0.71073","MoKα","","0.0784","0.0445","","","","0.1193","","","","","","1.044","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008856","9.06","0.005","11.4157","0.0012","14.058","0.004","90","0.02","92.29","0.03","90","0.02","1452.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(hexamethylphosphoramide)tetrachlorodigallium(II)","","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C24 H72 Cl8 Ga4 N12 O4 P4 -","2","0.5","TA1238","Rickard, Clifton E. F.; Taylor, Michael J.; Kilner, Melvin","Tetrachlorobis(hexamethylphosphoramide-<i>O</i>)digallium(II)(<i>Ga</i>—<i>Ga</i>)","Acta Crystallographica Section C","1999","55","8","1215","1216","10.1107/S0108270199005843","","","0.71069","MoKα","","0.142","0.05","","","","0.117","","","","","","0.961","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008857","11.0912","0.0004","11.0912","0.0004","4.4414","0.0004","90","","90","","90","","546.36","0.06","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc Mercury Thiocyanate","","- C4 Hg N4 S4 Zn -","- C4 Hg N4 S4 Zn -","- C8 Hg2 N8 S8 Zn2 -","2","0.25","TA1243","Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua","Zinc mercury thiocyanate (ZMTC)","Acta Crystallographica Section C","1999","55","8","1203","1205","10.1107/S0108270199005983","","","0.71073","MoKα","","0.034","0.033","","","","0.095","","","","","","1.115","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008858","7.8637","0.0003","16.0133","0.0005","17.9513","0.0006","90","","101.358","0.001","90","","2216.23","0.13","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.","","- C24 H23 N9 O4 Zn -","- C24 H23 N9 O4 Zn -","- C96 H92 N36 O16 Zn4 -","4","1","TA1244","Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.","Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate","Acta Crystallographica Section C","1999","55","8","1213","1215","10.1107/S0108270199005995","","","0.71073","MoKα","","0.073","0.058","","","","0.168","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008859","20.999","0.001","14.397","0.0005","12.648","0.004","90","","90","","90","","3823.8","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C192 H192 N16 O8 -","8","2","VJ1098","Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W.","1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1999","55","8","1355","1357","10.1107/S0108270199004722","","","0.71069","MoKα","","0.0565","0.0504","","","","0.1251","","","","","","1.222","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008860","9.45","0.002","11.581","0.001","17.544","0.001","90","","90","","90","","1920","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,SR)-2-[1-(tert-Butoxycarbonyl)-pyrrolidinyl]-p-tolylsulfinylmethyl ketone","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","BK1464","Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste","(2<i>S</i>,S<i>R</i>)-<i>tert</i>-Butyl 2-(<i>p</i>-tolylsulfinylacetyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1605","1607","10.1107/S0108270199006253","","","0.71073","MoKα","","0.0897","0.0517","","","","0.1353","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008861","6.507","0.005","9.64","0.003","26.376","0.003","90","","91.51","0.03","90","","1653.9","1.4","170","1","170","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N-Maleoylmethioninate) trimethyl tin","(N-Maleoylmethioninate) trimethyl tin","","- C12 H19 N O4 S Sn -","- C12 H19 N O4 S Sn -","- C48 H76 N4 O16 S4 Sn4 -","4","1","BK1466","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Choudhary, M. Aziz","(<i>N</i>-Maleoylmethioninato)trimethyltin(IV)","Acta Crystallographica Section C","1999","55","9","1429","1431","10.1107/S0108270199007180","","","0.71069","MoKα","","0.091","0.059","","","","0.159","","","","","","1.224","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008862","7.726","0.002","9.818","0.002","13.169","0.002","99","0.01","106.57","0.02","91.54","0.02","942.9","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate","","","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","- C42 H48 N4 O10 -","1","0.5","BK1470","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate","Acta Crystallographica Section C","1999","55","9","1556","1559","10.1107/S0108270199006289","","","0.71073","MoKα","","","0.038","","","","0.067","","","","","","1.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008863","9.3101","0.0008","12.484","0.0011","14.7622","0.0014","89.988","0.002","89.819","0.002","73.151","0.002","1642.1","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","4-(Triphenylmethyl)phenol-Triphenylphosphine Oxide(1/1)","1:1 Complex of 4-(Triphenylmethyl)phenol and Triphenylphosphine Oxide","","- C43 H35 O2 P -","- C43 H35 O2 P -","- C86 H70 O4 P2 -","2","1","BK1472","Ram K. R. Jetti; Weiss, Hans-Christoph; Venkat R. Thalladi; Boese, Roland; Ashwini Nangia; Gautam R. Desiraju","4-(Triphenylmethyl)phenol‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section C","1999","55","9","1530","1533","10.1107/S0108270199006290","","","0.71073","MoKα","","0.091","0.064","","","","0.167","","","","","","1.086","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008864","9.435","0.006","12.605","0.004","9.481","0.005","90","","99.82","0.05","90","","1111","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Tetra(mu-cyano)-tris(ammonium)-dicuprate(I)-cupper(II)]~\ιnfty~","","- C4 H9 Cu3 N7 -","- C4 H9 Cu3 N7 -","- C16 H36 Cu12 N28 -","4","1","BM1284","Viktor Vrábel; Ján Garaj; Július Sivý; Drahomír Oktavec","Polymeric triamminetetrakis(μ-cyano)dicuprate(I)copper(II)","Acta Crystallographica Section C","1999","55","9","1381","1383","10.1107/S0108270199007477","","","0.71069","MoKα","","0.111","0.048","","0.096","0.085","","","","0.905","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008865","10.182","0.004","9.707","0.005","23.455","0.008","90","","101.48","0.03","90","","2271.8","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O') ytterbium(III)]","","- C48 H46 N4 O12 Yb2 -","- C48 H46 N4 O12 Yb2 -","- C96 H92 N8 O24 Yb4 -","2","0.5","BM1303","Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan","A dihomonuclear complex: di-μ-methacrylato-<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-<i>N</i>,<i>N</i>')bis(methacrylato-<i>O</i>,<i>O</i>')ytterbium(III)]","Acta Crystallographica Section C","1999","55","9","1472","1475","10.1107/S0108270199006915","","","0.71069","MoKα","","","0.034","","","","0.043","","","","","","1.54","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008866","23.727","0.003","5.837","0.0005","14.377","0.002","90","","98.337","0.01","90","","1970.1","0.4","293","1","293","1","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)","","- C12 H26 N2 Ni2 S6 -","- C12 H26 N2 Ni2 S6 -","- C48 H104 N8 Ni8 S24 -","4","0.5","BM1327","Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven","Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-<i>N</i>,<i>S</i>,<i>S</i>':<i>S</i>']dinickel(II)","Acta Crystallographica Section C","1999","55","9","1436","1438","10.1107/S010827019900760X","","","0.71069","MoKα","","0.104","0.044","","","","0.097","","","","","","0.963","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008867","7.847","0.003","8.594","0.003","9.867","0.003","115.612","0.014","98.079","0.015","104.033","0.016","558.8","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,4,7,10-Tetraoxacyclododecane‒acetone thiosemicarbazone (1/2)","","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","1","0.5","BM1332","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","1,4,7,10-Tetraoxacyclododecane‒acetone thiosemicarbazone (1/2)","Acta Crystallographica Section C","1999","55","9","1542","1545","10.1107/S0108270199006381","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.059","","","","has coordinates,has Fobs","266815","2021-06-30","10:39:38",""
"2008868","8.9427","0.0012","9.419","0.0013","11.9415","0.0012","95.977","0.002","106.464","0.003","107.763","0.002","898.4","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Cl2 Cu Hg N2 O2 -","- C17 H16 Cl2 Cu Hg N2 O2 -","- C34 H32 Cl4 Cu2 Hg2 N4 O4 -","2","1","BM1333","Atakol, Orhan; Arıcı, Cengiz; Tahir, M. Nawaz; Kenar, Adnan; Ülkü, Dinçer","{[μ-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichloromercury(II)","Acta Crystallographica Section C","1999","55","9","1416","1418","10.1107/S0108270199007076","","","0.71073","MoKα","","","0.019","","","","0.025","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008869","5.152","0.0005","10.472","0.0011","6.3709","0.0007","90","","105.659","0.002","90","","330.96","0.06","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-Bi-2-imidazoline","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","BM1338","Brennan, Conor J.; McKee, Vickie","2,2'-Bi-2-imidazoline","Acta Crystallographica Section C","1999","55","9","1492","1494","10.1107/S010827019900654X","","","0.71073","MoKα","","0.0399","0.037","","","","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008870","22.3117","0.0014","8.2925","0.0006","16.1711","0.0018","90","","122.532","0.006","90","","2522.5","0.4","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","","- C18 H40 N8 O5 -","- C18 H40 N8 O5 -","- C72 H160 N32 O20 -","4","1","BM1339","McKee, Vickie; Nelson, Jane","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","Acta Crystallographica Section C","1999","55","9","1494","1496","10.1107/S010827019900671X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","1.052","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008871","15.8043","0.0016","12.8885","0.0012","11.4501","0.0011","90","","132.195","0.002","90","","1727.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N^1^,N^2^ - Di(phenyl)benzamidine nitrate","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","0.5","BM1345","Barker, James; Errington, William; Wallbridge, Malcolm G. H.","<i>N</i>,<i>N</i>'-Diphenylbenzamidinium nitrate","Acta Crystallographica Section C","1999","55","9","1583","1585","10.1107/S0108270199007672","","","0.71073","MoKα","","0.0723","0.0457","","","","0.1188","","","","","","1.002","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008872","14.045","0.003","12.932","0.003","17.099","0.003","90","","101.08","0.03","90","","3047.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium magnesium paradodecatungstate dodehydrate","","- H66 Mg4 N2 O70 W12 -","- Mg4 N2 O70 W12 -","- Mg8 N4 O140 W24 -","2","0.5","BR1227","Li, Jing; Wang, Ru-Ji; Torardi, Charlie C.","(NH~4~)~2~[Mg~4~(H~2~O)~18~(H~2~W~12~O~42~)]^.^10H~2~O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions","Acta Crystallographica Section C","1999","55","9","1388","1391","10.1107/S0108270199006265","","","0.71073","MoKα","","0.1255","0.0716","","","","0.1125","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008873","5.6665","0.0002","5.6665","0.0002","34.2196","0.0017","90","","90","","120","","951.56","0.07","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","K^+^ /b""-aluminogallate","","","- Al8.58 Ga1.75 K1.67 Mg0.67 O17 -","- Al8.58105 Ga1.75235 K1.68 Mg0.2222 O17 -","- Al25.7432 Ga5.25705 K5.04 Mg0.6666 O51 -","3","0.0833333","BR1232","Edström, Kristina","Potassium β''-aluminogallate","Acta Crystallographica Section C","1999","55","9","1384","1388","10.1107/S0108270199007799","","","0.71073","MoKα","","0.036","0.018","","0.062","","0.062","","","1.81","","","1.81","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008874","10.221","0.003","9.275","0.003","7.024","0.002","90","","106.87","0.02","90","","637.2","0.3","299","2","299","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co0.7 Fe0.3 Mo O4 -","- Co0.695 Fe0.305 Mo O4 -","- Co5.56 Fe2.44 Mo8 O32 -","8","1","BR1241","Ehrenberg, Helmut; Svoboda, Ingrid; Wiesmann, Marc; Weitzel, Hans","A mixed transition metal molybdate, β-(Co~0.7~Fe~0.3~)MoO~4~","Acta Crystallographica Section C","1999","55","9","1383","1384","10.1107/S0108270199007805","","","0.71093","MoKα","","0.062","0.037","","0.095","0.087","","","","1.135","1.205","1.205","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008875","10.422","0.006","10.422","0.006","101.433","0.007","90","","90","","120","","9541","8","298.2","","298.2","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","[Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water","","- C30 H35 B Co F4 N4 O3.5 -","- C30 H34.49 B Co F4 N4 O3.245 -","- C360 H413.88 B12 Co12 F48 N48 O38.94 -","12","1","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","1.5418","CuKα","","","0.0541","","","","0.0585","","","","","","1.892","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2008876","10.305","0.002","18.047","0.003","50.764","0.002","90","","92.463","0.009","90","","9432","2","298.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H35.4 B Co F4 N4 O3.7 -","- C30 H32 B Co F3.91667 N4 O3.48333 -","- C360 H384 B12 Co12 F47 N48 O41.8 -","12","3","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","0.7107","MoKα","","","0.0561","","","","0.0686","","","","","","2.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008877","11.135","0.002","11.135","0.002","4.376","0.001","90","","90","","90","","542.57","0.19","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C4 Cd N4 S4 Zn -","- C4 Cd N4 S4 Zn -","- C8 Cd2 N8 S8 Zn2 -","2","0.25","CF1297","Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua","Zinc cadmium thiocyanate (ZCTC)","Acta Crystallographica Section C","1999","55","9","1393","1395","10.1107/S0108270199007623","","","0.71073","MoKα","","0.029","0.028","","0.094","0.093","","","","1.264","1.275","1.275","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008878","6.231","0.003","7.935","0.004","11.667","0.006","90","","92.09","0.03","90","","576.5","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-hydroxypyridine-2-thione","1-Hydroxypyridine-2(1H)-thione","","- C5 H5 N O S -","- C5 H5 N O S -","- C20 H20 N4 O4 S4 -","4","1","CF1307","Bond, Andrew; Jones, William","1-Hydroxy-2(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1999","55","9","1536","1538","10.1107/S0108270199006824","","","0.71073","MoKα","","0.0594","0.0311","","","","0.0856","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008879","29.7207","0.0013","7.7934","0.0003","17.2154","0.0007","90","","102.392","0.001","90","","3894.6","0.3","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H34 Cl2 N4 O2 Pd -","- C14 H34 Cl2 N4 O2 Pd -","- C112 H272 Cl16 N32 O16 Pd8 -","8","1","CF1310","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle","Acta Crystallographica Section C","1999","55","9","1404","1406","10.1107/S0108270199007817","","","0.71073","MoKα","","0.066","0.0382","","0.0888","","0.0819","","","0.945","","","1.058","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2008880","25.3","0.005","7.366","0.002","14.609","0.003","90","","113.62","0.03","90","","2494.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium","","- C10 H14 N6 O6 -","- C10 H14 N6 O6 -","- C80 H112 N48 O48 -","8","1","CF1312","Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K.","Bis(hydrazinium) 4-hydroxy-1-oxo-2<i>H</i>-phthalazine-6,7-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1535","1536","10.1107/S0108270199007635","","","0.71073","MoKα","","0.077","0.044","","","","0.107","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008881","13.332","0.001","6.0756","0.0005","8.3258","0.0006","90","","90","","90","","674.39","0.09","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H Na O7 Se2 Zn2 -","- H Na O7 Se2 Zn2 -","- H4 Na4 O28 Se8 Zn8 -","4","0.5","CF1315","Harrison, William T. A.; Phillips, Mark L. F.","Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~","Acta Crystallographica Section C","1999","55","9","1398","1399","10.1107/S010827019900637X","","","0.71073","MoKα","","","0.029","","","","0.032","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008882","12.1621","0.0009","14.7472","0.0009","20.8082","0.0009","90","","103.451","0.002","90","","3629.7","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","iodo(6-chloropyridin-2-yl)bis(triphenylphosphine)palladium(II)","","","- C41 H33 Cl I N P2 Pd -","- C41 H33 Cl I N P2 Pd -","- C164 H132 Cl4 I4 N4 P8 Pd4 -","4","1","CF1319","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","(6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","9","1461","1463","10.1107/S0108270199007866","","","0.71073","MoKα","","0.098","0.053","","","","0.139","","","","","","1.001","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008883","8.9031","0.0004","15.7897","0.0006","20.0697","0.0007","90","","99.569","0.004","90","","2782.09","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride","","- C24 H18 Cl3 I3 N4 -","- C24 H18 Cl3 I3 N4 -","- C96 H72 Cl12 I12 N16 -","4","1","DA1070","Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua","Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 ‒) dichloroiodide(1 ‒)","Acta Crystallographica Section C","1999","55","9","1503","1506","10.1107/S0108270199007684","","","0.71073","MoKα","","0.0509","0.0332","","","","0.0745","","","","","","1.084","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008884","22.8378","0.0014","12.0426","0.0005","9.5835","0.0004","90","","107.358","0.004","90","","2515.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-tris(m-cyanobenzoxylate erbium) dihydrate","","- C24 H15 Er N3 O8 -","- C24 H15 Er N3 O8 -","- C96 H60 Er4 N12 O32 -","4","0.5","DA1072","Ma, Bao-Qing; Gao, Song; Wang, Zhe-Ming; Yi, Tao; Yan, Chun-Hua; Xu, Guang-Xian","<i>catena</i>-Poly[[diaqua(3-cyanobenzoato-<i>O</i>,<i>O</i>')erbium]-bis-μ-(3-cyanobenzoato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","1999","55","9","1420","1422","10.1107/S0108270199007696","","","0.71073","MoKα","","0.027","0.02","","","","0.047","","","","","","1.078","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008885","10.82","0.02","9.98","0.02","43.13","0.07","90","","90","","90","","4657","15","100","","","","","","","","","","","6","P 21 c a","P -2ac 21","","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C80 Ca16 Cl32 D240 N16 O64 -","16","4","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.084","","","0.088","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008886","10.82","0.03","9.98","0.02","53.93","0.02","90","","90","","90","","5824","2","68","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C100 Ca20 Cl40 D300 N20 O80 -","20","5","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.123","","","0.154","","","","","1.03","1.03","","","","","has coordinates","189897","2020-10-21","18:00:00",""
"2008887","14.485","0.002","10.804","0.002","19.567","0.003","90","","103.28","0.01","90","","2980.3","0.8","290","2","17","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis‒(2,2'‒bipyridine)‒bis‒μ-maleato‒diaqua‒dizinc Dihydrate","","- C28 H28 N4 O12 Zn2 -","- C28 H28 N4 O12 Zn2 -","- C112 H112 N16 O48 Zn8 -","4","0.5","FG1534","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","A maleate-bridged dinuclear bipyridine-containing zinc(II) complex","Acta Crystallographica Section C","1999","55","9","1470","1472","10.1107/S0108270199006848","","","0.71073","MoKα","","0.0343","0.0245","","0.0613","","0.0586","","","0.972","","","1.057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008888","10.2264","0.0002","10.3606","0.0001","18.0965","0.0003","87.36","0.001","81.604","0.001","74.839","0.001","1830.72","0.05","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II) 0.6 dichloromethane solvate","","- C40.5 H35 Cl N2 P2 Pt -","- C40 H34 N2 P2 Pt -","- C80 H68 N4 P4 Pt2 -","2","1","FG1536","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)‒dichloromethane (1/0.6)","Acta Crystallographica Section C","1999","55","9","1406","1408","10.1107/S0108270199007490","","","0.71073","MoKα","","0.062","0.047","","","","0.113","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008889","8.866","","12.9431","0.0002","13.9107","0.0002","103.112","0.001","102.296","0.001","93.03","","1510.41","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N,N'‒bis‒(2‒tosylaminobenzylidene)‒1,3‒propanediamine","","- C31 H32 N4 O4 S2 -","- C31 H32 N4 O4 S2 -","- C62 H64 N8 O8 S4 -","2","1","FG1538","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino","<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine","Acta Crystallographica Section C","1999","55","9","1545","1547","10.1107/S010827019900685X","","","0.71073","MoKα","","0.0756","0.0493","","0.1535","0.1341","","","","1.017","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008890","7.363","0.001","11.299","0.001","23.502","0.003","90","","90","","90","","1955.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-ketopinic acid","(+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.116","0.06","","","","0.13","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008891","7.0947","0.0003","11.8316","0.0006","12.1662","0.0006","72.013","0.001","77.019","0.001","86.546","0.001","946.47","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(+/-)-ketopinic acid","(+/-)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.056","0.05","","","","0.137","","","","","","1.07","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008892","9.443","0.002","20.758","0.004","23.478","0.005","90","","90","","90","","4602.1","1.6","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(dicyclohexylammonium) (nitrilotriacetato)tributylstannate","","- C42 H81 N3 O6 Sn -","- C42 H81 N3 O6 Sn -","- C168 H324 N12 O24 Sn4 -","4","1","FG1549","Ng, Seik Weng","Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate","Acta Crystallographica Section C","1999","55","9","1447","1449","10.1107/S0108270199007295","","","0.71073","MoKα","","0.063","0.044","","","","0.1","","","","","","0.942","","","","has coordinates,has disorder","189898","2020-10-21","18:00:00",""
"2008893","10.574","0.003","16.812","0.002","12.882","0.002","90","","102.15","0.02","90","","2238.7","0.8","170","1","170","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tri-n-Butyltin N-maleoyl-β-alaninate","Tri-n-butyltin N-maleoyl-β-alaninate","","- C19 H33 N O4 Sn -","- C19 H33 N O4 Sn -","- C76 H132 N4 O16 Sn4 -","4","1","FG1551","Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal","Tri-<i>n</i>-butyl(<i>N</i>-maleoyl-β-alaninato)tin","Acta Crystallographica Section C","1999","55","9","1427","1429","10.1107/S010827019900743X","","","0.71069","MoKα","","0.107","0.039","","","","0.141","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008894","7.1458","0.0008","9.769","0.0012","11.886","0.002","110.784","0.01","96.074","0.011","101.302","0.01","746.65","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.066","0.044","","0.139","0.123","","","","0.994","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008895","26.581","0.002","10.094","0.001","19.624","0.002","90","","128.75","0.01","90","","4106.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)xanthen-1,8- dione","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C184 H200 N8 O40 -","8","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.156","0.043","","0.107","0.081","","","","0.74","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008896","11.396","0.001","6.742","0.002","14.142","0.001","90","","94.58","0.01","90","","1083.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylisoguanine","","- C7 H15 N5 O4 -","- C7 H15 N5 O4 -","- C28 H60 N20 O16 -","4","1","FR1180","Gambardella, Maria Teresa do Prado; Dias, Ricardo Luis Araujo; Chehade, Claire Camargos; Berlinck, Roberto Gomes de Sousa","1,3-Dimethylisoguanine trihydrate","Acta Crystallographica Section C","1999","55","9","1585","1587","10.1107/S010827019900640X","","","1.5418","CuKα","","0.071","0.048","","","","0.161","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008897","6.9887","0.0002","10.7123","0.0002","20.4198","0.0004","90","","90","","90","","1528.73","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","FR1186","R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","Acta Crystallographica Section C","1999","55","9","1513","1514","10.1107/S0108270199006149","","","0.71073","MoKα","","0.078","0.051","","","","0.118","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008898","8.843","0.003","14.085","0.005","15.638","0.005","90","","90","","90","","1947.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7- trimethyl-3-(toluene-4-sulfonyl)perhydro-1,3-benzoxazine","","- C20 H29 N O3 S -","- C20 H29 N O3 S -","- C80 H116 N4 O12 S4 -","4","1","FR1189","Rochon, Fernande D.; Breau, Livain","(+)-(2<i>S</i>,7<i>R</i>,9<i>R</i>,10<i>S</i>)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section C","1999","55","9","1587","1589","10.1107/S0108270199006873","","","0.71073","MoKα","","0.138","0.053","","0.099","0.081","","","","1.046","1.286","1.286","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008899","9.6467","0.0004","12.7276","0.0006","20.804","0.001","90","","90.129","0.001","90","","2554.3","0.2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chlorobis(η5-pentamethylcyclopentadienyl)-p- chloroanilideuranium(IV)","","- C26 H35 Cl2 N U -","- C26 H20 Cl2 N U -","- C104 H80 Cl8 N4 U4 -","4","1","FR1192","Peters, R. Gregory; Scott, Brian L.; Burns, Carol J.","Chloro(<i>p</i>-chloroanilido-<i>N</i>)bis(η^5^-pentamethylcyclopentadienyl)uranium(IV)","Acta Crystallographica Section C","1999","55","9","1482","1483","10.1107/S0108270199007143","","","0.71073","MoKα","","0.03","0.024","","","","0.064","","","","","","1.272","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008900","13.979","0.003","4.689","0.001","16.239","0.003","90","","107.279","0.004","90","","1016.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-di-{[m-(1,3-dioxane)benzene]}propane","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.1","0.04","","","","0.09","","","","","","0.81","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008901","26.064","0.005","8.696","0.002","11.943","0.002","90","","103.604","0.004","90","","2631","0.9","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-di-(1,3 dioxane)benzene","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","1","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.137","0.041","","","","0.077","","","","","","0.723","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008902","14.898","0.001","9.19","0.002","15.525","0.002","90","","90","","90","","2125.6","0.6","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 O6 -","- C22 H25.998 O6 -","- C88 H103.992 O24 -","4","0.5","FR1207","Dobson, Allison J.; Gerkin, Roger E.","C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1496","1499","10.1107/S0108270199007891","","","0.71073","MoKα","","","0.055","","","","0.074","","","","","","1.35","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008903","7.74","0.001","7.948","0.002","9.984","0.001","84.25","0.01","77.38","0.01","61.02","0.01","524.3","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.039","","","","0.096","","","","","","1.93","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008904","4.2969","0.0006","10.785","0.002","11.36","0.001","85","0.01","82.99","0.01","89.48","0.01","520.52","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.04","","","","0.09","","","","","","1.95","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008905","15.689","0.006","11.025","0.006","17.641","0.009","90","","113.69","0.07","90","","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexachlorotetra(tetrahydrofuran)(μ-oxo)dizirconium","","- C16 H32 Cl6 O5 Zr2 -","- C16 H32 Cl6 O5 Zr2 -","- C64 H128 Cl24 O20 Zr8 -","4","0.5","GD1009","Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter","μ-Oxo-bis[<i>mer</i>-trichlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)]","Acta Crystallographica Section C","1999","55","9","1449","1451","10.1107/S0108270199007532","","","0.71073","MoKα","","0.0504","0.0436","","0.1159","0.1104","","","","1.241","1.273","1.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008906","12.6512","0.001","8.708","0.0006","17.0124","0.0012","90","","106.314","0.006","90","","1798.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate.","","- C10 H26 N3 O13 Sc -","- C10 H26 N3 O13 Sc -","- C40 H104 N12 O52 Sc4 -","4","1","GD1032","Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua","Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate","Acta Crystallographica Section C","1999","55","9","1418","1420","10.1107/S0108270199008057","","","0.71073","MoKα","","0.055","0.045","","","","0.152","","","","","","1.085","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008907","6.293","0.003","10.255","0.002","22.172","0.005","90","","96.17","0.03","90","","1422.6","0.8","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholest-5-enyl-3β,4β-diacetate","Cholest-5-ene-3β,4β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","GD1035","Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael","Cholest-5-ene-3β,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","9","1570","1572","10.1107/S0108270199006770","","","0.71069","MoKα","","0.092","0.057","","","","0.147","","","","","","1.052","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008908","5.9096","0.0011","9.9845","0.0017","14.394","0.003","95.053","0.017","93.762","0.019","99.544","0.017","831.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","[(Cu2Cl3)](H2bpds)(BF4)","Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)","","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","1","0.5","GD1036","Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.","Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)","Acta Crystallographica Section C","1999","55","9","1422","1425","10.1107/S0108270199006836","","","0.71073","MoKα","","0.0681","0.0454","","","","0.0816","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008909","9.6855","0.0011","12.775","0.003","16.053","0.006","67.29","0.03","87.64","0.017","85.75","0.017","1827.1","0.9","290","1","290","1","","","","","","","","4","P -1","-P 1","2","Dicyclohexyl-N-(3-pyridinylcarbonyl)urea","N,N`-dicyclohexyl-N-(3-pyridinylcarbonyl)urea","","- C19 H27 N3 O2 -","- C19 H27 N3 O2 -","- C76 H108 N12 O8 -","4","2","GD1039","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>-nicotinoylurea","Acta Crystallographica Section C","1999","55","9","1607","1610","10.1107/S0108270199007544","","","0.7107","MolybdenumKα","","0.1529","0.0467","","","","0.1107","","","","","","0.871","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008910","7.873","0.002","8.985","0.002","10.412","0.002","101.55","0.03","104.51","0.03","103.52","0.03","666.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.043","0.035","","","","0.096","","","","","","1.244","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008911","7.818","0.002","8.849","0.002","10.333","0.002","101.18","0.03","104.81","0.03","103.72","0.03","646.3","0.3","92","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.023","0.02","","","","0.052","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008912","7.209","0.001","7.9527","0.0007","17.414","0.003","90","","90.64","0.01","90","","998.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme β","","- O6 P2 Sr -","- O6 P2 Sr -","- O48 P16 Sr8 -","8","2","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0553","0.0336","","0.0861","0.0696","","","","1.137","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008913","4.498","0.001","10.911","0.003","10.375","0.003","90","","91.56","0.02","90","","509","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme γ","","- O6 P2 Sr -","- O6 P2 Sr -","- O24 P8 Sr4 -","4","1","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0459","0.0332","","0.0982","0.0898","","","","1.13","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008914","10.713","0.003","13.569","0.004","28.27","0.009","90","","90","","90","","4109","2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O5 S -","- C19 H31 N O5 S -","- C152 H248 N8 O40 S8 -","8","2","GS1037","Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse","2-(2,3:5,6-Di-<i>O</i>-isopropylidene-β-<small>D</small>-mannofuranosyl)-<i>N</i>,<i>N</i>-(pentamethylene)ethanethioamide","Acta Crystallographica Section C","1999","55","9","1533","1534","10.1107/S0108270199006459","","","0.7107","MoKα","","0.043","0.043","","0.0416","","0.0416","","","1.829","","","1.829","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008915","8.8118","0.0004","11.606","0.0006","12.1748","0.0007","115.234","0.002","107.66","0.003","95.643","0.003","1035.11","0.1","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C52 H48 N8 O2 -","2","1","GS1040","Aatif, A.; Baouid, A.; Hasnaoui, H.; Benharref, A.; Pierrot, M.","8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexahydrocyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>]benzodiazépin-7-one","Acta Crystallographica Section C","1999","55","9","1528","1530","10.1107/S0108270199006897","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.268","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008916","10.17","0.001","12.897","0.001","9.801","0.001","90","","105.358","0.001","90","","1239.6","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","GS1041","Kakou-Yao, R.; Saba, A.; Ebby, N.; Pierrot, M.; Aycard, J. P.","Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide","Acta Crystallographica Section C","1999","55","9","1591","1593","10.1107/S0108270199006782","","","0.71073","MoKα","","","0.042","","","","0.074","","","","","","0.994","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008917","21.031","0.003","8.201","0.0008","9.215","0.001","90","","90","","90","","1589.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","","- C14 H10 Cl4 Te -","- C14 H10 Cl4 Te -","- C56 H40 Cl16 Te4 -","4","1","GS1044","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I.","Trichloro[(<i>Z</i>)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","9","1577","1579","10.1107/S0108270199006964","","","0.71073","MoKα","","0.066","0.03","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008918","11.2868","0.0006","30.877","0.002","11.9177","0.0006","90","","92.746","0.003","90","","4148.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 La N7 O15 -","- C30 H60 La N7 O15 -","- C120 H240 La4 N28 O60 -","4","1","GS1046","Thuéry, Pierre; Nierlich, Martine; Charbonnel, Marie-Christine; Dognon, Jean-Pierre","Bis[2-(2-ethoxyethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethylmalondiamide-<i>O</i>^1^,<i>O</i>^3^]tris(nitrato-<i>O</i>,<i>O</i>')lanthanum(III)","Acta Crystallographica Section C","1999","55","9","1434","1436","10.1107/S0108270199008215","","","0.71073","MoKα","","0.052","0.035","","0.12","","0.076","","","1.131","","","1.06","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008919","9.6477","0.0001","14.9004","0.0002","18.0803","0.0003","75.92","0.001","84.206","0.001","75.546","0.001","2439.01","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine","","- C30 H28 N5 O -","- C30 H28 N5 O -","- C120 H112 N20 O4 -","4","2","HA1253","R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan","Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile‒benzene(2/1)","Acta Crystallographica Section C","1999","55","9","1522","1524","10.1107/S0108270199005879","","","0.71073","MoKα","","0.1044","0.0658","","","","0.1833","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008920","8.0589","0.0006","9.2783","0.0007","10.0365","0.0008","81.755","0.005","87.512","0.005","67.632","0.005","686.77","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","1","0.5","HA1257","Hubin, Timothy J.; Alcock, Nathaniel W.; Clase, Howard J.; Busch, Daryle H.","A complex containing Cu^I^ linearly coordinated by two tetracyclic tetraamines","Acta Crystallographica Section C","1999","55","9","1402","1403","10.1107/S0108270199006423","","","0.71073","MoKα","","0.052","0.04","","","0.089","0.092","","","","1","1","0.916","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008921","10.262","0.002","12.073","0.002","12.357","0.003","90","","92.47","0.03","90","","1529.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) sulfate","","- C10 H16 Cd N2 O8 S -","- C10 H16 Cd N2 O8 S -","- C40 H64 Cd4 N8 O32 S4 -","4","1","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.045","0.035","","0.102","","0.095","","","1.016","","","1.046","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008922","20.998","0.004","6.823","0.001","20.001","0.004","90","","94.88","0.03","90","","2855.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Catena-((mu!2$-Sulfato-O,O')-diaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) monohydrate","","- C10 H14 Cd N2 O7 S -","- C10 H11.5 Cd N2 O7 S -","- C80 H92 Cd8 N16 O56 S8 -","8","2","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.094","0.047","","0.144","","0.119","","","0.974","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008923","10.3098","0.0013","8.4972","0.0008","11.4264","0.0013","90","","90","","90","","1001","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol","","- C6 H7 Cl N4 O5 -","- C6 H7 Cl N4 O5 -","- C24 H28 Cl4 N16 O20 -","4","1","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.038","0.037","","","","0.108","","","1.089","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008924","10.763","0.001","16.052","0.002","16.634","0.002","75.87","0.01","82.88","0.01","89.91","0.01","2764.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1-(4-nitro-5-piperidinylimidazolyl)propan-2-ol","","- C11 H17 Cl N4 O3 -","- C11 H17 Cl N4 O3 -","- C88 H136 Cl8 N32 O24 -","8","4","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.06","0.045","","","","0.147","","","1.082","","","1.173","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008925","13.327","0.003","8.672","0.002","14.382","0.003","90","","98.23","0.01","90","","1645","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 I Se -","- C18 H15 I Se -","- C72 H60 I4 Se4 -","4","1","JZ1353","Fleischer, Holger; Schollmeyer, Dieter","Triphenylselenonium iodide","Acta Crystallographica Section C","1999","55","9","1572","1573","10.1107/S0108270199008033","","","0.71073","MoKα","","0.074","0.041","","","0.093","0.105","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008926","9.201","0.001","10.027","0.001","18.217","0.002","90","","90","","90","","1680.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C60 H84 N4 O28 -","4","1","JZ1359","Kopf, Jürgen; Lützen, Arne; Köll, Peter","1-<i>N</i>,2-<i>O</i>-Carbonyl-3,5-<i>O</i>-isopropylidene-1-<i>N</i>-[(2<i>R</i>)-2-methyl-3-oxopentanoyl]-α-<small>D</small>-xylofuranosylamine","Acta Crystallographica Section C","1999","55","9","1541","1542","10.1107/S0108270199007210","","","1.54178","CuKα","","0.039","0.036","","","","0.103","","","","","","1.075","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008927","19.305","0.002","5.958","0.001","23.847","0.002","90","","91.989","0.008","90","","2741.2","0.6","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C120 H88 Cl16 N8 O8 -","8","1","KA1319","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1,4-diphenylazetidin-2-one","Acta Crystallographica Section C","1999","55","9","1511","1512","10.1107/S0108270199006095","","","0.7107","MoKα","","0.057","0.057","","0.057","","0.057","","","0.949","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008928","12.157","0.003","12.157","0.003","8.05","0.002","90","","90","","120","","1030.3","0.4","294","2","294","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","1.5418","CuKα","","0.028","0.027","","","","0.088","","","","","","1.546","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008929","12.0864","0.0015","12.0864","0.0015","7.9291","0.0011","90","","90","","120","","1003.1","0.2","135","2","135","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","0.71073","MoKα","","0.038","0.034","","","","0.095","","","","","","1.193","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008930","8.5158","0.0008","7.0115","0.0006","10.9335","0.0013","90","","97.375","0.012","90","","647.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2'-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine","","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C22 H26 I2 N8 O6 -","2","1","KA1326","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","9-(2-Deoxy-α-<small>D</small>-ribofuranosyl)-7-iodo-7-deazaadenine","Acta Crystallographica Section C","1999","55","9","1560","1562","10.1107/S0108270199006538","","","0.71073","MoKα","","0.0232","0.0226","","","","0.0569","","","","","","1.051","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008931","24.83","0.002","9.642","0.002","9.176","0.006","90","","90","","90","","2196.8","1.5","293.2","","293.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","KA1327","Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan","3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate","Acta Crystallographica Section C","1999","55","9","1508","1511","10.1107/S0108270199007192","","","0.7107","MoKα","","0.088","0.05","","","","0.16","","","","","","0.96","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008932","9.07","0.003","10.974","0.005","12.102","0.004","64.85","0.03","71.36","0.03","76.37","0.03","1026.2","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","1","0.5","KA1328","Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-<i>O</i>,<i>O</i>')thorate(IV) tetramethanol solvate","Acta Crystallographica Section C","1999","55","9","1479","1482","10.1107/S0108270199007556","","","0.71073","MoKα","","0.0262","0.0256","","","","0.061","","","","","","1.057","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008933","7.214","0.001","18.34","0.001","10.418","0.001","90","","109.32","0.01","90","","1300.7","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","KA1329","Hökelek, Tuncer; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(3-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","9","1438","1440","10.1107/S0108270199006733","","","0.71073","MoKα","","","0.0511","","","","0.075","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008934","7.3785","0.0002","47.9241","0.001","5.9069","0.0002","90","","90","","90","","2088.73","0.1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether","","- C24 H18 O5 S2 -","- C24 H18 O5 S2 -","- C96 H72 O20 S8 -","4","","LN1085","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray","Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether","Acta Crystallographica Section C","1999","55","9","1517","1519","10.1107/S0108270199008021","","","0.71073","MoKα","","0.0369","0.0304","","","","0.0952","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008935","28.308","0.003","11.306","0.003","20.622","0.003","90","","123.5","0.02","90","","5504","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(3,5-Cl4salMetrien)]","(1,4-dioxan-O) [3,3'-methyliminobis(1,3-propanediylnitrilomethylidyne)di-3'',5''-dichloroph enolate-N,N',N'',O] nickel(II)","","- C25 H29 Cl4 N3 Ni O4 -","- C25 H26 Cl4 N3 Ni O4 -","- C200 H208 Cl32 N24 Ni8 O32 -","8","1","NA1403","Gomes, Ligia; Pinho, Dora; Freire, Cristina; de Castro, Baltazar","(1,4-Dioxane-<i>O</i>){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II), [Ni(3,5-Cl~4~salMetrien)]","Acta Crystallographica Section C","1999","55","9","1425","1427","10.1107/S0108270199004588","","","0.71069","MoKα","","0.076","0.046","","0.108","","0.091","","","1.31","","","1.346","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008936","8.739","0.001","11.68","0.002","11.858","0.002","69.46","0.01","71.69","0.01","68.87","0.01","1032.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Benzoylacetone-(S-n-propylisothiosemicarbazonato)iron(III) dichloride ethanol solvate","","","- C16 H24 Cl2 Fe N3 O2 S -","- C16 H24 Cl2 Fe N3 O2 S -","- C32 H48 Cl4 Fe2 N6 O4 S2 -","2","1","NA1418","Argay, Gyula; Kálmán, Alajos; Leovac, Vukadin M.","[Fe(H<i>L</i>)Cl~2~]^.^EtOH, where H<i>L</i> is the monoanion of benzoylacetone <i>S</i>-<i>n</i>-propylisothiosemicarbazone","Acta Crystallographica Section C","1999","55","9","1440","1443","10.1107/S0108270199007647","","","0.71073","MoKα","","0.101","0.039","","","","0.097","","","","","","0.875","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008937","18.304","0.001","10.488","0.001","14.267","0.001","90","","123.79","0.001","90","","2276.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-(4H-1,2,4-triazol-4-ylimino)-4,5-diazafluorene","","- C13 H8 N6 -","- C13 H8 N6 -","- C104 H64 N48 -","8","1","NA1425","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You","9-(4<i>H</i>-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene","Acta Crystallographica Section C","1999","55","9","1526","1528","10.1107/S0108270199007908","","","0.71073","MoKα","","0.121","0.063","","","","0.197","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008938","16.761","0.0002","14.2287","0.0002","21.1305","0.0002","90","","97.691","0.001","90","","4994.02","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(2-pyridyl)-4-p-methylphenyl-4H-1,2,4-triazole bis(triphenyl phosphine) silver(I) perchlorate","","- C55 H45 Ag Cl N5 O4 P2 -","- C55 H45 Ag Cl N5 O4 P2 -","- C220 H180 Ag4 Cl4 N20 O16 P8 -","4","1","NA1429","Shao, Si-Chang; Zhu, Dun-Ru; Zhu, Xu-Hui; You, Xiao-Zeng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate","Acta Crystallographica Section C","1999","55","9","1412","1413","10.1107/S0108270199008197","","","0.71073","MoKα","","0.073","0.04","","","","0.111","","","","","","1.047","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008939","10.545","0.001","9.747","0.001","5.3893","0.0005","90","","92.243","0.007","90","","553.5","0.09","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C18 H32 N4 O8 S2 -","2","1","OA1081","Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi","The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase","Acta Crystallographica Section C","1999","55","9","1598","1599","10.1107/S0108270198016436","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008940","13.006","0.001","10.648","0.001","6.619","0.001","90","","90","","90","","916.65","0.18","293","2","296.2","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","potassium niobium alminium arsenate","","- Al As1.6 K2 Nb1.4 O10 -","- Al As1.6 K2 Nb1.4 O10 -","- Al4 As6.4 K8 Nb5.6 O40 -","4","1","OH1112","Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda","K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~","Acta Crystallographica Section C","1999","55","9","1391","1393","10.1107/S0108270199005144","","","0.71069","MoKα","","","0.023","","","","0.034","","","1.991","","","1.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008941","12.386","0.003","15.837","0.002","14.515","0.003","90","","105","0.02","90","","2750.2","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methyltriphenylphosphonium 1-thiolate-2-methyl-1,2-dicarba-closo- dodecaborane(12)","methyltriphenylphosphonium 1-sulfido-2-methyl-1,2-dicarba-closo- dodecaborane(12)","","- C22 H31 B10 P S -","- C22 H31 B10 P S -","- C88 H124 B40 P4 S4 -","4","1","OS1061","Kivekäs, Raikko; Benakki, Rajae; Viñas, Clara; Sillanpää, Reijo","Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1999","55","9","1581","1583","10.1107/S0108270199006307","","","0.71069","MoKα","","0.172","0.059","","","","0.161","","","","","","0.997","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008942","5.1673","0.0001","23.9998","0.0004","5.4029","0.0001","90","","112.026","0.001","90","","621.13","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-2-aminobutanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.065","0.052","","0.154","","0.136","","","1.151","","","1.099","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008943","5.1639","0.0001","5.4076","0.0001","13.1241","0.0002","91.779","0.001","98.138","0.001","111.823","0.001","335.393","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Leucine:D-2-aminopentanoic acid","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","1","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.048","0.04","","0.123","","0.114","","","1.053","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008944","5.1451","0.0001","28.0517","0.0005","5.4068","0.0001","90","","111.423","0.001","90","","726.44","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucine:D-methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.126","0.081","","","","0.173","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008945","5.2002","0.0001","25.1334","0.0004","5.4157","0.0001","90","","110.796","0.001","90","","661.71","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.039","0.037","","0.102","","0.095","","","1.108","","","1.108","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008946","9.9562","0.0001","4.7417","0.0001","12.7833","0.0001","90","","106.843","0.001","90","","577.602","0.015","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine:D-2-aminobutanoic acid","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.045","0.04","","0.108","","0.104","","","1.018","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008947","27.2288","0.0002","4.7397","0.0001","9.9535","0.0001","90","","96.091","0.001","90","","1277.31","0.03","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-valine:D-2-aminopentanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.04","0.034","","0.102","","0.097","","","1.095","","","1.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008948","28.9379","0.0002","4.7032","0.0001","10.0011","0.0001","90","","90","","90","","1361.16","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valine:D-methionine","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C40 H88 N8 O16 S4 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.07","0.052","","0.117","","0.109","","","1.133","","","1.168","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008949","18.093","0.003","5.093","0.002","13.358","0.002","90","","105.48","0.02","90","","1186.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 N^6^,N^6^-Dimethyladenine:Tetraiodoethene","","- C16 H18 I4 N10 -","- C8 H9 I2 N5 -","- C32 H36 I8 N20 -","4","1","OS1064","Dahl, Tor","<i>N</i>^6^,<i>N</i>^6^-Dimethyladenine‒tetraiodoethene (2/1)","Acta Crystallographica Section C","1999","55","9","1568","1570","10.1107/S0108270199006472","","","0.7107","MoKα","","0.0516","0.0303","","","","0.0832","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008950","6.676","0.005","24.324","0.007","17.66","0.01","90","","95.87","0.06","90","","2853","3","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N5 O8.5 -","- C26 H32 Cl N5 O8.5 -","- C104 H128 Cl4 N20 O34 -","4","1","QA0146","Vyas, K.; Moses Babu, J.; Om Reddy, G.","Domperidone maleate","Acta Crystallographica Section C","1999","55","9","IUC9900104","","10.1107/S010827019909887X","","","1.5418","CuKα","","0.085","0.062","","0.082","","0.078","","","1.807","","","1.964","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008951","11.607","0.002","20.097","0.005","10.449","0.004","90","","90","","90","","2437.4","1.2","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C96 H168 N8 O12 -","4","1","QA0147","Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.","<i>N</i>-<i>tert</i>-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity","Acta Crystallographica Section C","1999","55","9","IUC9900105","","10.1107/S0108270199098868","","","1.5418","CuKα","","0.101","0.081","","0.12","","0.114","","","1.862","","","1.976","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008952","7.2989","0.0001","9.2859","0.0001","12.4017","0.0001","89.4709","0.0003","87.8567","0.0002","70.768","0.0003","793.08","0.015","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C18.5 H26 O2.5 -","- C18.5 H26 O2.5 -","- C37 H52 O5 -","2","2","QA0149","Parrish, Damon A.; Pinkerton, A. Alan","Estradiol methanol hemisolvate","Acta Crystallographica Section C","1999","55","9","IUC9900100","","10.1107/S0108270199098856","","","0.71073","MoKα","","0.082","0.043","","","","0.116","","","","","","0.941","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008953","14.373","0.007","11.078","0.007","16.788","0.008","90","","107.67","0.05","90","","2547","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","","- C26 H20 F6 N5 O2 P Ru -","- C26 H20 F6 N5 O2 P Ru -","- C104 H80 F24 N20 O8 P4 Ru4 -","4","1","QA0150","Lashgari, Kianosh; Norrestam, Rolf; Åkermark, Björn","Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K","Acta Crystallographica Section C","1999","55","9","IUC9900108","","10.1107/S0108270199098881","","","0.71073","MoKα","","0.062","0.036","","","","0.105","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008954","11.078","0.002","12.869","0.002","28.77","0.005","90","","100.17","0.01","90","","4037.1","1.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Octacarbonyl-μ-dicyclohexylphosphido-dirhenium-silver-triphenylphosphane","","- C38 H37 Ag O8 P2 Re2 -","- C38 H37 Ag O8 P2 Re2 -","- C152 H148 Ag4 O32 P8 Re8 -","4","1","QA0152","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>:<i>P</i>-triphenylphosphine-2κ<i>P</i>-silverdirhenium(2 <i>Re</i>—<i>Ag</i>)","Acta Crystallographica Section C","1999","55","9","IUC9900106","","10.1107/S010827019909890X","","","0.71073","MoKα","","0.086","0.048","","","","0.077","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008955","16.283","0.001","10.694","0.001","15.038","0.002","90","","91.443","0.009","90","","2617.7","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate","","- C28 H25 Cl2 N3 Sn -","- C28 H25 Cl2 N3 Sn -","- C112 H100 Cl8 N12 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0513","0.0484","","","","0.1449","","","","","","1.141","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008956","18.8548","0.0008","10.9063","0.0007","17.591","0.002","90","","99.678","0.005","90","","3565.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate","","- C32 H43 F6 N3 O4 Sn -","- C32 H43 F6 N3 O4 Sn -","- C128 H172 F24 N12 O16 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0678","0.0587","","","","0.1732","","","","","","1.079","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008957","8.409","0.004","9.327","0.004","18.144","0.007","78.555","0.014","76.85","0.02","70.5","0.02","1294.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bromo (1,10-Phenanthroline-N,N') (Triphenylphosphine) Copper(I)","","- C30 H23 Br Cu N2 P -","- C30 H23 Br Cu N2 P -","- C60 H46 Br2 Cu2 N4 P2 -","2","1","QA0154","Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang","Bromo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)","Acta Crystallographica Section C","1999","55","9","IUC9900107","","10.1107/S0108270199098893","","","0.71073","MoKα","","","0.037","","","","0.086","","","","","","0.948","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008958","7.1535","0.0009","5.5819","0.001","5.3279","0.0004","90","","89.934","0.008","90","","212.74","0.05","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","Disodium zinc germanate","Disodium zinc germanium tetraoxide","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","QA0155","Healey, Adam M.; Webster, Michael; Weller, Mark T.","Disodium zinc germanium tetraoxide","Acta Crystallographica Section C","1999","55","9","IUC9900099","","10.1107/S0108270199098935","","","0.71073","MoKα","","0.023","0.022","","","","0.054","","","","","","1.259","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008959","23.7306","0.0014","11.9542","0.0012","17.468","0.003","90","","95.597","0.019","90","","4931.7","1","294","1","294","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis(triphenylphosphine)bis(tert-butylisocyanide)rhodium(I) nido-7,8-dicarbaundecaborane.","","- C48 H60 B9 N2 P2 Rh -","- C46 H60 B11.402 N2 P2 Rh -","- C184 H240 B45.608 N8 P8 Rh4 -","4","0.5","QA0156","Ferguson, George; McEneaney, Patricia A.; Spalding, Trevor R.","<i>trans</i>-Bis(<i>tert</i>-butylisocyanido-<i>C</i>)bis(triphenylphosphine-<i>P</i>)rhodium(I) <i>nido</i>-7,8-dicarbaundecarboranide","Acta Crystallographica Section C","1999","55","9","IUC9900103","","10.1107/S0108270199098911","","","0.71073","MoKα","","0.049","0.034","","","","0.09","","","","","","1.194","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008960","6.1965","0.0012","13.025","0.003","10.419","0.002","90","","103.88","0.03","90","","816.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl viologen diiodide","N,N'-diethyl-4,4'-bipyridinium diiodide","","- C14 H18 I2 N2 -","- C14 H18 I2 N2 -","- C28 H36 I4 N4 -","2","0.5","QA0157","Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B.","<i>N</i>,<i>N</i>'-Diethyl-4,4'-bipyridinium diiodide","Acta Crystallographica Section C","1999","55","9","IUC9900101","","10.1107/S0108270199098844","","","0.71073","MoKα","","0.033","0.027","","0.073","","0.068","","","","","","1.112","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008961","12.951","0.003","9.977","0.002","11.131","0.002","90","","113.52","0.03","90","","1318.8","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-tetramethyl-4-(methylsulfonyl-oxyl)-1-piperidinooxy","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","QA0158","Homrighausen, Craig L.; Krause Bauer, Jeanette A.","2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide","Acta Crystallographica Section C","1999","55","9","IUC9900102","","10.1107/S0108270199098832","","","0.71073","MoKα","","0.091","0.053","","","","0.129","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008962","8.043","0.001","13.288","0.002","17.629","0.002","90","","96.34","0.03","90","","1872.6","0.4","291","1","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 O5 -","- C20 H20 Cl2 O5 -","- C80 H80 Cl8 O20 -","4","1","QA0159","Meinhardt, Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dimethyl 2-(5,8-dichloro-10-oxotricyclo[7.3.2.0^2,7^]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate","Acta Crystallographica Section C","1999","55","9","IUC9900110","","10.1107/S0108270199098820","","","0.71069","MoKα","","0.056","0.04","","","","0.112","","","","","","1.013","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008963","9.8615","0.0001","10.6446","0.0002","13.6513","0.0001","90","","90","","90","","1433","0.03","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tert-Butylhydrazine hydrochloride","t-Butylhydrazine hydrochloride","","- C4 H13 Cl N2 -","- C4 H13 Cl N2 -","- C32 H104 Cl8 N16 -","8","1","QA0162","Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian","Redetermination of <i>tert</i>-butylhydrazinium chloride","Acta Crystallographica Section C","1999","55","9","IUC9900109","","10.1107/S0108270199098819","","","0.71073","MoKα","","0.035","0.029","","","","0.081","","","","","","1.074","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008964","5.6779","0.001","6.3017","0.0011","20.48","0.003","88.37","0.011","86.483","0.007","70.162","0.011","688","0.2","134","2","134","2","","","","","","","","3","P -1","-P 1","2","","(±)-(3'aα,3'bα,6'aα,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.045","0.039","","","","0.125","","","","","","1.557","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008965","6.6228","0.0015","21.651","0.003","9.5738","0.0012","90","","100.106","0.014","90","","1351.5","0.4","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(3'aα,3'bβ,6'aβ,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.081","0.05","","","","0.127","","","","","","1.289","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008966","4.7711","0.0007","12.4592","0.001","14.9907","0.0013","90","","94.37","0.01","90","","888.52","0.17","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Cu N2 O2 -","- C12 H10 Cl6 Cu N2 O2 -","- C24 H20 Cl12 Cu2 N4 O4 -","2","0.5","SK1268","Gökağaç, Gülsün; Tatar, Leyla; Kısakürek, Duygu; Ülkü, Dinçer","Diamminebis(2,4,6-trichlorophenolato)copper(II)","Acta Crystallographica Section C","1999","55","9","1413","1416","10.1107/S0108270199006447","","","0.71073","MoKα","","","0.0314","","","","0.0379","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008967","14.945","0.002","14.945","0.002","39.572","0.002","90","","90","","90","","8838.5","1.7","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(2S,3S,9S,10S)-2,3,9,10-Tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-d ione","","- C34 H32 O6 -","- C34 H32 O6 -","- C408 H384 O72 -","12","1.5","SK1289","Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong","Cocrystallization of two conformers of (2<i>S</i>,3<i>S</i>,9<i>S</i>,10<i>S</i>)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione","Acta Crystallographica Section C","1999","55","9","1574","1575","10.1107/S0108270199006976","","","0.71073","MoKα","","0.1353","0.0468","","","","0.1496","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008968","8.6086","0.0003","11.5661","0.0004","14.765","0.0005","90","","91.554","0.001","90","","1469.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phenyl(diisopropylamino)-chlorophosphine sulphide","","- C12 H19 Cl N P S -","- C12 H19 Cl N P S -","- C48 H76 Cl4 N4 P4 S4 -","4","1","SK1290","S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun","Chloro(diisopropylamino)(phenyl)phosphine sulfide","Acta Crystallographica Section C","1999","55","9","1525","1526","10.1107/S0108270199006435","","","0.71073","MoKα","","0.1601","0.0619","","","","0.125","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008969","11.4095","0.0009","12.3701","0.0006","13.1335","0.001","90","","92.864","0.009","90","","1851.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate","","- C34 H38 Cu2 N10 O6 -","- C34 H38 Cu2 N10 O6 -","- C68 H76 Cu4 N20 O12 -","2","0.5","SK1292","Elizabeth Hill; Warda, Salam A.","Dimeric (pyrazole-<i>N</i>^2^)(<i>N</i>-salicylidene-2,2-dimethylglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) pyrazole solvate","Acta Crystallographica Section C","1999","55","9","1431","1434","10.1107/S0108270199006988","","","0.71073","MoKα","","","0.0307","","","","0.0743","","","","","","0.946","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008970","9.6826","0.0011","14.378","0.003","14.797","0.003","63.17","0.06","83.25","0.11","80.17","0.1","1809.3","1.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dihydroxybenzoic acid‒4,4'-bipyridine (2/3)","","- C44 H36 N6 O8 -","- C44 H36 N6 O8 -","- C88 H72 N12 O16 -","2","1","SK1293","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Linking of <i>C</i>^4^~4~(32)[<i>R</i>^4^~4~(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid‒4,4'-bipyridine (2/3) by means of π···π stacking interactions","Acta Crystallographica Section C","1999","55","9","1489","1492","10.1107/S0108270199006319","","","0.71073","MoKα","","0.138","0.056","","","","0.134","","","","","","0.932","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008971","7.839","0.002","5.99","0.001","8.244","0.002","90","","116.88","0.01","90","","345.28","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N -","- C9 H7 N -","- C18 H14 N2 -","2","0.5","SK1296","Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael","Isoquinoline","Acta Crystallographica Section C","1999","55","9","1565","1567","10.1107/S0108270199006320","","","0.71073","MoKα","","0.0517","0.047","","","","0.1331","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008972","19.249","0.0006","7.3915","0.0004","12.6587","0.0006","90","","92.554","0.003","90","","1799.28","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxyisophthalic acid‒4,4'-trimethylenedipyridine (1/1)","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","SK1297","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid‒4,4'-trimethylenedipyridine (1/1)","Acta Crystallographica Section C","1999","55","9","1486","1489","10.1107/S0108270199006356","","","0.71073","MoKα","","0.081","0.046","","","","0.116","","","","","","1.025","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008973","7.3437","0.0003","24.6375","0.0008","7.4493","0.0003","90","","93.295","0.001","90","","1345.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II)","","- C12 H12 N2 Ni O2 S2 -","- C12 H12 N2 Ni O2 S2 -","- C48 H48 N8 Ni4 O8 S8 -","4","1","SK1298","S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You","Bis[1-hydroxy-3-methylpyridine-2(1<i>H</i>)-thionato-<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1999","55","9","1410","1411","10.1107/S010827019900699X","","","0.71073","MoKα","","0.062","0.055","","","","0.148","","","","","","1.107","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008974","7.623","0.0001","9.978","0.0001","19.1161","0.0001","90","","99.73","0.001","90","","1433.1","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(4-chlorobenzyl)-2-oxa-1-cyclohexanecarboxylate (I)","","- C15 H17 Cl O3 -","- C15 H17 Cl O3 -","- C60 H68 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.067","0.044","","","","0.119","","","","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008975","11.7762","0.0003","11.8495","0.0004","13.0464","0.0004","90","","102.905","0.001","90","","1774.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (2R,4aR,8aR)-2-(4-chlorobenzyl)-3-oxoperhydro-2-cyclohexanecarboxylate (II)","","- C19 H23 Cl O3 -","- C19 H23 Cl O3 -","- C76 H92 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.111","0.054","","","","0.139","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008976","9.4742","0.0002","16.6161","0.0004","10.8918","0.0007","90","","90","","90","","1714.63","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Glutathione","γ-L-Glutamyl-L-cysteinyl-glycine","","- C20 H40 N6 O20 S2 -","- C20 H40 N6 O20 S2 -","- C40 H80 N12 O40 S4 -","2","0.5","SX1077","Jelsch, Christian; Didierjean, Claude","The oxidized form of glutathione","Acta Crystallographica Section C","1999","55","9","1538","1540","10.1107/S0108270199007039","","","0.56087","AgKα","","0.04","0.038","","","","0.1","","","","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008977","11.081","0.008","16.103","0.01","22.211","0.014","90","","90.38","0.03","90","","3963","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H42 Cu4 I6 Li2 O22 -","- C56 H84 Cu4 I6 Li2 O22 -","- C112 H168 Cu8 I12 Li4 O44 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.212","0.073","","","","0.197","","","","","","0.972","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008978","10.896","0.004","16.277","0.005","22.638","0.007","90","","91.37","0.02","90","","4014","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[ Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H80 Cs2 Cu4 I6 O20 -","- C56 H80 Cs2 Cu4 I6 O20 -","- C112 H160 Cs4 Cu8 I12 O40 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.184","0.064","","","","0.181","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008979","11.303","0.002","13.926","0.002","15.268","0.003","90","","96.95","0.01","90","","2385.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","","- C24 H54 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I12 Na2 O15 -","- C48 H104 Cu8 I24 Na4 O30 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.155","0.047","","","","0.104","","","","","","0.852","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2008980","10.375","0.002","13.3","0.002","10.314","0.001","106.18","0.01","94.4","0.01","71.86","0.01","1298.8","0.4","297","","297.2","","","","","","","","","5","P -1","-P 1","2","[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium","","","- C30 H24 N2 O5 V -","- C30 H24 N2 O5 V -","- C60 H48 N4 O10 V2 -","2","1","TA1233","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","[<i>N</i>,<i>N</i>'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","9","1451","1453","10.1107/S0108270199006551","","","0.71073","MoKα","","","0.053","","","","0.071","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008981","7.292","0.002","14.454","0.004","9.643","0.003","90","","96.673","0.003","90","","1009.5","0.5","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Cl2 N2 O8 -","- C3 H12 Cl2 N2 O8 -","- C12 H48 Cl8 N8 O32 -","4","1","TA1239","Brooker, Sally; de Geest, Duncan J.","Propane-1,3-diammonium diperchlorate","Acta Crystallographica Section C","1999","55","9","1589","1591","10.1107/S0108270199007246","","","0.71073","MoKα","","0.037","0.032","","","","0.082","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008982","7.7051","0.0002","14.8671","0.0003","22.2079","0.0005","90","","90","","90","","2543.97","0.1","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,3R)-(η^6^-3-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.063","0.044","","","","0.091","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008983","11.7885","0.0002","14.5002","0.0003","15.3639","0.0002","90","","90","","90","","2626.24","0.08","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,2R)-(η^6^-2-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008984","7.7593","0.0001","27.9746","0.0003","10.2064","0.0001","90","","101.65","","90","","2169.8","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(R)-methyl 2,3-O-(1-methylethylidene)-4,6-O-[(η^6^- phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C20 H22 Cr O9 -","- C20 H22 Cr O9 -","- C80 H88 Cr4 O36 -","4","2","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.035","","","","0.084","","","","","","1.035","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008985","7.6488","0.0001","13.3096","0.0003","11.1206","0.0002","90","","100.08","","90","","1114.63","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(S)-methyl 2,3-di-O-methyl-4,6-O-[(η^6^- 1-phenyl)ethylene]-α-D-glucopyranoside}chromium(0).","","- C20 H24 Cr O9 -","- C20 H24 Cr O9 -","- C40 H48 Cr2 O18 -","2","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.033","0.031","","","","0.087","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008986","4.783","0.0001","7.5624","0.0002","8.569","0.0002","108.231","0.001","97.384","0.001","105.236","0.001","276.431","0.012","295","","","","","","","","","","","5","P -1","-P 1","2","","barium gallium hydrogen diphosphate (2/1/1/2)","","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","1","0.5","TA1242","Kuei-Fang Hsu; Sue-Lein Wang","Ba~2~GaH(P~2~O~7~)~2~","Acta Crystallographica Section C","1999","55","9","1400","1401","10.1107/S0108270199007568","","","0.71073","MoKα","","","0.018","","","","0.047","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008987","11.4782","0.0001","17.9393","0.0003","23.3995","0.0002","90","","101.006","0.001","90","","4729.59","0.1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 O6 P2 Pt -","- C53 H46 Cl2 O6 P2 Pt -","- C212 H184 Cl8 O24 P8 Pt4 -","4","1","TA1245","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(phenoxyacetato-<i>O</i>)bis(triphenylphosphine-<i>P</i>)platinum(II) dichloromethane solvate","Acta Crystallographica Section C","1999","55","9","1408","1410","10.1107/S010827019900757X","","","0.71073","MoKα","","0.074","0.048","","","","0.119","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008988","9.346","0.001","9.516","0.001","15.031","0.001","96.62","0.01","103.76","0.01","102.92","0.01","1245.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-6-chloropyridin-2-olato)-1κ^4^O,2κ^4^N- methoxy-1κO-diruthenium(II,III)(Ru—Ru)","","- C21 H15 Cl4 N4 O5 Ru2 -","- C21 H15 Cl4 N4 O5 Ru2 -","- C42 H30 Cl8 N8 O10 Ru4 -","2","1","TA1246","Youm, Kyoung-Tae; Kim, Youngmee; Jun, Moo-Jin","Tetrakis(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III)","Acta Crystallographica Section C","1999","55","9","1483","1485","10.1107/S0108270199006563","","","0.71073","MoKα","","0.031","0.028","","","","0.08","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008989","25.1766","0.001","6.6867","0.0003","19.3304","0.0007","90","","113.807","0.003","90","","2977.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-dihydro-1,10-phenanthrolinium iodinium-dichlorido chloride.","","- C12 H10 Cl3 I N2 -","- C12 H10 Cl3 I N2 -","- C96 H80 Cl24 I8 N16 -","8","1","TA1249","Wang, Zhe-Ming; Wang, Yan-Qia; Liao, Chun-Sheng; Yan, Chun-Hua","1,10-Phenanthrolinium(2+) dichloroiodide(1 ‒) chloride","Acta Crystallographica Section C","1999","55","9","1506","1508","10.1107/S0108270199007775","","","0.71073","MoKα","","0.042","0.031","","","","0.074","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008990","10.961","0.002","11.775","0.002","10.452","0.002","112.6","0.03","108.47","0.03","65.02","0.03","1109.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine","1,3a,5-triphenyl-3a,4,5,6-tetrahydro-[1,2,4]oxadiazolo[4,5-a] [1,5]benzodiazepine","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C56 H46 N6 O2 -","2","1","TA1252","Xu, Jiaxi; Jin, Sheng","1,3a,5-Triphenyl-3a,4,5,6-tetrahydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1999","55","9","1579","1581","10.1107/S0108270199006575","","","0.71073","MoKα","","0.088","0.043","","","","0.134","","","","","","0.941","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008991","11.375","0.003","10.438","0.003","12.577","0.004","90","","115.8","0.02","90","","1344.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O6 -","- C24 H33 N3 O6 -","- C48 H66 N6 O12 -","2","1","VJ1099","Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.","Methyl 1-(<i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucylamino)cyclooctane-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1575","1577","10.1107/S0108270199005260","","","0.71073","MoKα","","0.0753","0.0684","","0.1937","","0.1861","","","","","","1.091","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008992","12.5262","0.0009","12.8058","0.0007","10.2263","0.0005","100.762","0.004","110.156","0.003","110.603","0.004","1349.99","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","1","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.073","0.061","","","","0.139","","","","","","1.14","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008993","7.9574","0.0001","19.4192","0.0003","24.2174","0.0004","90","","91.406","0.002","90","","3741.1","0.1","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 N2 O7 -","- C44 H36 Cl2 N2 O7 -","- C176 H144 Cl8 N8 O28 -","4","2","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.068","0.062","","","","0.161","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008994","4.659","0.001","25.117","0.002","7.758","0.001","90","","105.51","0.01","90","","874.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-lactoside","Methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside","","- C14 H28 O12 -","- C14 H28 O12 -","- C28 H56 O24 -","2","1","BK1465","Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S.","Methyl β-lactoside (methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside) methanol solvate","Acta Crystallographica Section C","1999","55","10","1719","1721","10.1107/S0108270199007994","","","0.71073","MoKα","","0.0309","0.0301","","0.0791","0.0781","","","","1.124","1.129","1.129","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008995","10.087","0.001","12.454","0.002","14.177","0.003","90","","90","","90","","1781","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","BM1299","Nieger, Martin; Bolte, Michael","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene","Acta Crystallographica Section C","1999","55","10","1666","1667","10.1107/S0108270198015923","","","0.71069","MoKα","","0.1","0.056","","","","0.117","","","","","","1.005","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008996","14.8435","0.0003","14.8573","0.0002","18.9784","0.0004","107.983","0.001","96.779","0.001","103.117","0.001","3796.28","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","1","0.5","BM1312","De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang","[La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH","Acta Crystallographica Section C","1999","55","10","1662","1664","10.1107/S0108270199006629","","","0.71073","MoKα","","0.052","0.035","","","","0.085","","","","","","0.971","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008997","13.336","0.003","13.837","0.003","16.059","0.004","90","","98.51","0.02","90","","2930.7","1.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-(N-pyridiniummethyl)-1,3-dioxolane)-2-spiro-1',2',4',6' -trinitrocyclohexadienide","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C112 H96 N32 O64 -","8","1","BM1329","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene","Acta Crystallographica Section C","1999","55","10","1704","1706","10.1107/S0108270199006083","","","0.71073","MoKα","","0.0715","0.0442","","0.1408","","0.118","","","0.991","","","1.103","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008998","6.5401","0.0012","14.0889","0.0018","8.1843","0.0012","90","","99.753","0.012","90","","743.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","","- C6 H12 Au2 I2 N4 S2 -","- C6 H12 Au2 I2 N4 S2 -","- C12 H24 Au4 I4 N8 S4 -","2","0.5","BM1346","Friedrichs, Steffi; Jones, Peter G.","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","Acta Crystallographica Section C","1999","55","10","1625","1627","10.1107/S0108270199008148","","","0.71073","MoKα","","0.04","0.024","","","","0.05","","","","","","0.914","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008999","7.3471","0.001","7.933","0.0012","13.663","0.0016","90","","104.662","0.008","90","","770.41","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-6-hydroxypyridinium Chloride Hydrate","","- C5 H7 Cl2 N O2 -","- C5 H7 Cl2 N O2 -","- C20 H28 Cl8 N4 O8 -","4","1","BM1350","Freytag, Matthias; Jones, Peter G.","2-Chloro-6-hydroxypyridinium chloride hydrate","Acta Crystallographica Section C","1999","55","10","1682","1685","10.1107/S0108270199008045","","","0.71073","MoKα","","0.046","0.028","","","","0.065","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009000","12.321","0.009","12.321","0.009","12.321","0.009","90","","90","","90","","1870","2","300","2","300","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Fe2 Ge3 O12 -","- Ca3 Fe2 Ge3 O12 -","- Ca24 Fe16 Ge24 O96 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.044","0.03","","","","0.068","","","","","","1.253","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009001","12.8059","0.0008","12.8059","0.0008","12.8059","0.0008","90","","90","","90","","2100.1","0.2","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Ge3 O12 Y2 -","- Ca3 Ge3 O12 Y2 -","- Ca24 Ge24 O96 Y16 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.05","0.031","","","","0.087","","","","","","1.179","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009002","12.2489","0.0012","12.2489","0.0012","12.2489","0.0012","90","","90","","90","","1837.8","0.3","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ge3 Mg3 O12 Y2 -","- Ge3 Mg2.99 O12 Y2.01 -","- Ge24 Mg23.92 O96 Y16.08 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.058","0.032","","","","0.075","","","","","","1.187","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009003","9.7378","0.0005","14.9883","0.0007","15.4828","0.001","90","","100.244","0.005","90","","2223.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P) cobalt-O,O',O'']oxomolybdenum(V)","","- C11 H23 Cl2 Co Mo O10 P3 -","- C11 H23 Cl2 Co Mo O10 P3 -","- C44 H92 Cl8 Co4 Mo4 O40 P12 -","4","1","CF1313","Roh, Soo-Gyun; Jeong, Jong Hwa","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt(III)-<i>O</i>,<i>O</i>',<i>O</i>'']oxomolybdenum(V)","Acta Crystallographica Section C","1999","55","10","1658","1660","10.1107/S0108270199008781","","","0.71073","MoKα","","0.046","0.039","","","","0.108","","","","","","1.08","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009004","21.148","0.002","5.16","0.002","4.94","0.001","90","","96.69","0.01","90","","535.4","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,10-decanediol","","","- C10 H22 O2 -","- C10 H22 O2 -","- C20 H44 O4 -","2","0.5","CF1316","Nakamura, Naotake; Sato, Taketoshi","1,10-Decanediol","Acta Crystallographica Section C","1999","55","10","1685","1687","10.1107/S0108270199008318","","","1.5418","CuKα","","0.0607","0.0391","","0.0731","","0.0626","","","1.359","","","1.399","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009005","8.6829","0.0013","10.751","0.0016","14.42","0.002","88.617","0.013","80.841","0.011","73.689","0.011","1275.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromo[1,3-propanediylbis(diphenylphosphine)-P,P']palladium(II)","","- C27 H26 Br2 P2 Pd -","- C27 H26 Br2 P2 Pd -","- C54 H52 Br4 P4 Pd2 -","2","1","CF1318","José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández","Dibromo[propane-1,3-diylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']palladium(II)","Acta Crystallographica Section C","1999","55","10","1646","1647","10.1107/S0108270199008306","","","0.71073","MoKα","","0.137","0.039","","","","0.095","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009006","12.1685","0.0019","13.724","0.002","13.315","0.003","90","","114.792","0.009","90","","2018.7","0.6","220","0.2","220","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","7-Phenyl-1,2,3,4,-tetrahydro-1,4-diazepin-5-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","1","CF1321","Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon","7-Phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-diazepin-5-one","Acta Crystallographica Section C","1999","55","10","1725","1727","10.1107/S010827019900832X","","","0.71073","MoKα","","0.047","0.034","","","","0.089","","","","","","1.048","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009007","10.58","0.01","16.1","0.02","13.954","0.01","90","","100.97","0.01","90","","2333","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl- 4-(P-Me-phenyl)- spiro pyrazoline [ 5.2']-1'tetralone.","","- C31 H26 N2 O -","- C31 H26 N2 O -","- C124 H104 N8 O4 -","4","1","FG1522","R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan","1',2',3',4'-Tetrahydro-1,3-diphenyl-4-<i>p</i>-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one","Acta Crystallographica Section C","1999","55","10","1676","1677","10.1107/S0108270199007283","","","1.54178","CuKα","","0.0851","0.0632","","","","0.1648","","","","","","1.099","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009008","8.626","0.002","6.5402","0.0012","14.524","0.004","90","","100.21","0.03","90","","806.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-O-benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose","","- C16 H22 O5 -","- C16 H22 O5 -","- C32 H44 O10 -","2","1","FG1535","Eriksson, Lars; Söderman, Peter; Widmalm, Göran","4-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranose","Acta Crystallographica Section C","1999","55","10","1736","1738","10.1107/S0108270199008203","","","0.71073","MoKα","","0.201","0.065","","0.112","","0.081","","","0.715","","","0.715","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009009","9.7491","0.0006","10.0291","0.0006","11.1681","0.0005","85.297","0.004","71.869","0.004","61.3013","0.0018","907.28","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((μ^2^-Isopropoxo)-di-isopropoxy-4-Methylphenylimido-vanadium(v))","","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","1","0.5","FG1541","Lutz, Martin; Hagen, Henk; Schreurs, Antoine M.M.; Spek, Anthony L.; van Koten, Gerard","The twinned structure of the μ-isopropoxidodiisopropoxido(<i>p</i>-tolylimido)vanadium(V) dimer, twin refinement against CCD area-detector data","Acta Crystallographica Section C","1999","55","10","1636","1639","10.1107/S0108270199003728","","","0.71073","MoKα","","0.085","0.07","","","","0.174","","","","","","1.186","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009010","8.1819","0.0006","8.3833","0.0006","8.4079","0.0006","106.244","0.001","94.879","0.001","109.663","0.001","511.06","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Trans-dioxobis(N,N-diethylethylenediamine-N,N')rhenium(V)chloride hydrate (1/3)","","- C12 H38 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","1","0.5","FG1544","Engelbrecht, Hendrik P.; Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Bis(<i>N</i>,<i>N</i>-diethylethylenediamine-<i>N</i>,<i>N</i>')dioxorhenium(V) chloride trihydrate","Acta Crystallographica Section C","1999","55","10","1648","1650","10.1107/S0108270199007507","","","0.71073","MoKα","","0.0188","0.0188","","","","0.0489","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009011","7.105","0.003","8.69","0.003","5.777","0.002","90.65","0.03","106.53","0.03","105.69","0.03","327.7","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","(E)-N-methyl-1-(methylthio)-2-nitroethenylamine","","- C4 H8 N2 O2 S -","- C4 H8 N2 O2 S -","- C8 H16 N4 O4 S2 -","2","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.043","0.036","","","","0.108","","","","","","1.208","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009012","11.7761","0.0016","17.172","0.002","6.825","0.004","90","","90","","90","","1380.1","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-benzoyl-3,3-bis(methylamino)-2-nitrothioacrylamide","","- C12 H14 N4 O3 S -","- C12 H14 N4 O3 S -","- C48 H56 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.033","","","","0.09","","","","","","1.089","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009013","11.9391","0.0008","14.4523","0.0013","10.7398","0.0009","90","","108.93","0.005","90","","1752.9","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cinnamoyl-3,3-bis(dimethylamino)-2-nitrothioacrylamide","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C64 H80 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.12","0.051","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009014","11.922","0.003","17.628","0.003","10.442","0.003","90","","90","","90","","2194.5","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate","","- C24 H22 N4 O3 S -","- C24 H22 N4 O3 S -","- C96 H88 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.035","","","","0.085","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009015","12.82","0.001","5.787","0.001","14.817","0.002","90","","107.93","0.02","90","","1045.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0551","0.0374","","0.1099","","0.0961","","","1.003","","","1.033","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009016","5.647","0.001","7.977","0.002","29.197","0.004","90","","90.63","0.02","90","","1315.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.1241","0.069","","0.2369","","0.189","","","1.036","","","1.154","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009017","27.419","0.007","6.901","0.002","6.137","0.001","90","","95.57","0.02","90","","1155.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0394","0.034","","0.095","","0.0905","","","1.117","","","1.129","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009018","12.413","0.002","5.744","0.002","15.597","0.003","90","","97.69","0.02","90","","1102.1","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0693","0.0481","","0.1493","","0.1244","","","0.866","","","0.849","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009019","6.597","0.001","11.468","0.001","11.103","0.001","90","","91.9","0.01","90","","839.53","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","FG1554","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","10","1680","1682","10.1107/S0108270199007519","","","0.71073","MoKα","","0.09","0.05","","","","0.099","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009020","8.885","0.003","10.2996","0.0019","8.5543","0.0015","111.952","0.011","98.61","0.03","103.04","0.03","683.2","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,6-dihydroxy-2-(2-methoxy-6-pyridyl)-2,3,1-benzodiazaborine","","- C13 H14 B N3 O4 -","- C13 H14 B N3 O4 -","- C26 H28 B2 N6 O8 -","2","1","FG1557","Robinson, Paul D.; Groziak, Michael P.","A boron-containing estrogen mimic","Acta Crystallographica Section C","1999","55","10","1701","1704","10.1107/S0108270199007520","","","0.71069","MoKα","","0.067","0.036","","","","0.118","","","","","","1.029","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009021","7.6535","0.0009","10.8255","0.001","7.4067","0.0009","92.436","0.01","117.023","0.008","81.61","0.009","540.62","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","","6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinoline-1-one","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","FG1560","Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois","6,7,8,9-Tetrahydro-3-methyl-1<i>H</i>-pyrano[4,3-<i>b</i>]quinolin-1-one","Acta Crystallographica Section C","1999","55","10","1698","1701","10.1107/S0108270199007301","","","0.71069","MoKα","","0.125","0.038","","","","0.127","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009022","15.4891","0.0014","12.2319","0.0009","18.2654","0.0018","90","","97.694","0.007","90","","3429.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd N6 O6 S4 -","- C24 H44 Cd N6 O6 S4 -","- C96 H176 Cd4 N24 O24 S16 -","4","1","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.166","0.0672","","","0.1447","0.1903","","","","","","1.016","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009023","14.3913","0.0014","11.0072","0.0011","22.163","0.002","90","","100.898","0.007","90","","3447.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Ag4 N12 O12 S8 -","- C48 H88 Ag4 N12 O12 S8 -","- C96 H176 Ag8 N24 O24 S16 -","2","0.5","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.1097","0.0556","","","0.1084","0.1295","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009024","7.4127","0.0008","10.1982","0.0017","10.8971","0.0011","85.969","0.011","74.899","0.008","78.473","0.012","779.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","FR1194","Aygün, Muhittin; Işık, Şamil; Turgut, Zuhal; Özbey, Süheyla; Kendi, Engin","4-Ethoxy-<i>N</i>-(6-methylquinolin-2-ylmethylene)aniline","Acta Crystallographica Section C","1999","55","10","1689","1690","10.1107/S0108270199007878","","","0.7107","MoKα","","0.0717","0.0455","","","","0.1158","","","","","","0.933","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009025","10.588","0.001","12.547","0.001","28.989","0.002","90","","90","","90","","3851.1","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid","","- C22 H32 O4 -","- C22 H32 O4 -","- C176 H256 O32 -","8","2","FR1199","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy‒keto ether","Acta Crystallographica Section C","1999","55","10","1677","1680","10.1107/S0108270199006411","","","1.5418","CuKα","","0.062","0.051","","","","0.133","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009026","11.138","0.002","18.801","0.004","19.121","0.004","90","","90","","90","","4004","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(μ-acetato)-2,6-bis[(2-hydroxybenzyl)(2-pyridylmethyl)aminomethyl)- 4-methylphenolato)-di-indium(III) Nitrate DihydratE","","- C39 H43 In2 N5 O12 -","- C39 H43 In2 N5 O12 -","- C156 H172 In8 N20 O48 -","4","0.5","GD1031","Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo","Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate","Acta Crystallographica Section C","1999","55","10","1634","1636","10.1107/S0108270199008252","","","0.71073","MoKα","","0.073","0.036","","","","0.107","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009027","6.8848","0.0008","13.7645","0.001","29.628","0.002","90","0.006","90","0.008","90","0.008","2807.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxy-18Hβ-olean-2,12-dien-28-oic acid methyl ester","","- C32 H48 O4 -","- C32 H48 O4 -","- C128 H192 O16 -","4","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.0444","0.0336","","","","0.097","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009028","6.6351","0.0008","12.7178","0.001","15.6807","0.0014","90","0.007","95","0.009","90","0.009","1318.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Formyl-19β,28-epoxy-3-hydroxy-18Hα-olean-2-ene","","- C31 H48 O3 -","- C31 H48 O3 -","- C62 H96 O6 -","2","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.053","0.0368","","","","0.1097","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009029","8.3779","0.0005","10.7496","0.0008","8.3805","0.0005","90","","101.099","0.006","90","","740.62","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide","","- C15 H27 Br N2 -","- C15 H27 Br N2 -","- C30 H54 Br2 N4 -","2","1","KA1317","Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati","(‒)-Sparteinium bromide","Acta Crystallographica Section C","1999","55","10","1710","1711","10.1107/S0108270199008185","","","1.54178","CuKα","","0.091","0.079","","","","0.228","","","","","","1.099","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009030","21.432","0.004","8.158","0.001","9.515","0.002","90","","92.95","0.02","90","","1661.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br2 Cu N2 O2 -","- C17 H14 Br2 Cu N2 O2 -","- C68 H56 Br8 Cu4 N8 O8 -","4","0.5","LN1075","Kabak, Mehmet; Elmali, Ayhan; Kavlakoǧlu, Ebru; Elerman, Yalc̨ın; Durlu, T. Nuri","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","1999","55","10","1650","1652","10.1107/S0108270199008331","","","0.71069","MoKα","","0.128","0.052","","","","0.154","","","","","","1.16","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009031","11.848","0.002","7.9903","0.0015","18.29","0.007","90","","95.59","0.03","90","","1723.3","0.8","293","3","293","3","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)","","- C17 H18 N4 Ni O S -","- C17 H18 N4 Ni O S -","- C68 H72 N16 Ni4 O4 S4 -","4","1","NA1411","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.","Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 ‒)-<i>O</i>,<i>N</i>^1^,<i>N</i>^4^](pyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","10","1656","1658","10.1107/S0108270199004746","","","0.71073","MoKα","","0.077","0.033","","0.101","","0.09","","","1.021","","","1.194","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009032","9.6808","0.0001","11.4468","0.0002","19.8557","0.0001","100.047","0.001","95.804","0.001","90.318","0.001","2154.84","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine -8-carbonitrile","","- C26 H23 N5 O -","- C26 H23 N5 O -","- C104 H92 N20 O4 -","4","2","NA1423","R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan","5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","1999","55","10","1670","1672","10.1107/S0108270199007829","","","0.71073","MoKα","","0.1071","0.0622","","","","0.1603","","","","","","1.084","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009033","7.5352","0.0011","9.2242","0.0012","23.1197","0.0013","90","","90","","90","","1607","0.3","293","2","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C17 H18 Cu N2 O3 -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","0.5","NA1424","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Cakırer, Orhan","Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","1999","55","10","1654","1655","10.1107/S010827019900894X","","","0.71073","MoKα","","","0.046","","","","0.063","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009034","9.0587","0.0002","10.2616","0.0002","10.3295","0.0002","79.104","0.001","64.898","0.001","65.456","0.001","790.85","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-methyl-[o-iodo-p-chloro phenyl]cinnamamide","","- C16 H13 Cl I N O -","- C16 H13 Cl I N O -","- C32 H26 Cl2 I2 N2 O2 -","2","1","NA1426","S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>-(4-Chloro-2-iodophenyl)-<i>N</i>-methylcinnamamide","Acta Crystallographica Section C","1999","55","10","1672","1673","10.1107/S010827019900791X","","","0.71073","MoKα","","0.048","0.041","","","","0.114","","","","","","1.042","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009035","9.608","0.001","10.742","0.001","14.468","0.001","107.121","0.001","102.757","0.001","104.349","0.001","1311.1","0.2","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","1","1","NA1427","Decréau, Richard; Julliard, Michel; Giorgi, Michel","Bis(<i>epi</i>-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer","Acta Crystallographica Section C","1999","55","10","1717","1719","10.1107/S0108270199008677","","","0.71073","MoKα","","","0.062","","","","0.114","","","","","","1.0181","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009036","8.8298","0.0003","9.6918","0.0003","10.5786","0.0003","97.81","0.001","111.192","0.001","105.25","0.001","787.04","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S) cadmium(II)","","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","1","0.5","NA1428","Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Dichlorobis(dimethylformamide-<i>O</i>)bis(4-nitrobenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1641","1644","10.1107/S010827019900815X","","","0.71073","MoKα","","0.025","0.024","","","","0.064","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009037","14.577","0.003","10.875","0.002","23.985","0.005","90","","90.4","0.05","90","","3802.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium diazotriphenylstannate.","","- C42 H35 As N6 Sn -","- C42 H35 As N6 Sn -","- C168 H140 As4 N24 Sn4 -","4","1","NA1430","Franco Benetollo; Gabriella Bombieri; Giuseppe Alonzo; Nuccio Bertazzi","Tetraphenylarsonium diazidotriphenylstannate","Acta Crystallographica Section C","1999","55","10","1664","1665","10.1107/S0108270199008951","","","0.71073","MoKα","","0.0647","0.0503","","","","0.1279","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009038","6.629","0.001","16.35","0.001","5.328","0.001","95.78","0.02","109.9","0.02","80.3","0.02","534.64","0.15","297","","","","","","","","","","","3","P -1","-P 1","2","","4-Methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H18 O2 -","- C12 H18 O2 -","- C24 H36 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.058","","","","0.069","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009039","7.442","0.001","14.747","0.003","5.586","0.002","92.84","0.02","101.39","0.02","87.87","0.02","600","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","7-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C24 H34 Br2 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.042","","","","0.049","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009040","11.331","0.004","13.315","0.002","9.298","0.002","101.44","0.01","105.67","0.02","77.15","0.02","1302.5","0.6","297","","","","","","","","","","","3","P -1","-P 1","2","","8-Methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009041","7.874","0.002","21.134","0.003","9.22","0.003","90","","114","0.02","90","","1401.6","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.053","","","","0.063","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009042","8.668","0.004","18.944","0.002","18.196","0.001","90","","90","","90","","2987.9","1.4","296.2","","296.2","","","","","","","","","6","P b c m","-P 2c 2b","57","","tetrakis(isopropylthio)-p-benzoquinonesilver(I) perchlorate","","- C21 H34 Ag Cl O7 S4 -","- C21 H34 Ag Cl O7 S4 -","- C84 H136 Ag4 Cl4 O28 S16 -","4","0.5","OB1009","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1999","55","10","1623","1625","10.1107/S0108270199005624","","","0.7107","MoKα","","0.193","0.0698","","","","0.1899","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009043","4.976","0.001","5.1968","0.0008","27.955","0.003","90","","93.82","0.01","90","","721.3","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetradecane-1,14-diol","","","- C14 H30 O2 -","- C14 H30 O2 -","- C28 H60 O4 -","2","0.5","OB1010","Naotake Nakamura; Taketoshi Sato","1,14-Tetradecanediol","Acta Crystallographica Section C","1999","55","10","1687","1689","10.1107/S0108270199008112","","","1.5418","CuKα","","0.056","0.05","","0.109","","0.097","","","1.8","","","1.77","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009044","3.952","0.001","19.95","0.01","9.551","0.004","90","","96.6","0.03","90","","748","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.048","0.045","","0.091","","0.083","","","1.65","","","1.65","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009045","3.8283","0.0007","18.514","0.005","10.795","0.003","90","","94.48","0.02","90","","762.8","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.117","0.065","","0.092","","0.061","","","1.37","","","1.37","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009046","5.29","0.004","18.214","0.006","6.781","0.003","90","","111.66","0.04","90","","607.2","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H5 Na O4 -","- C5 H5 Na O4 -","- C20 H20 Na4 O16 -","4","1","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.069","","","","0.06","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009047","10.669","0.005","18.479","0.006","7.28","0.006","90","","90","","90","","1435.3","1.4","295","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Ammonium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","0.5","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.077","","","","0.067","","","","","","1.51","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009048","9.152","0.001","20.886","0.001","9.555","0.001","90","","97.57","0.01","90","","1810.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H28 N2 O7 Pt -","- C14 H28 N2 O7 Pt -","- C56 H112 N8 O28 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.041","0.025","","","","0.058","","","","","","1.037","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009049","12.63","0.003","14.938","0.003","9.276","0.001","90","","90","","90","","1750.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O4 Pt -","- C16 H26 N2 O4 Pt -","- C64 H104 N8 O16 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.036","0.029","","","","0.068","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009050","8.9499","0.0012","9.2513","0.0009","8.6473","0.0011","115.764","0.008","99.704","0.011","98.247","0.011","616.35","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","1","0.5","OH1114","Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu","A one-dimensionally extended chain aluminophosphate","Acta Crystallographica Section C","1999","55","10","1615","1617","10.1107/S0108270199000360","","","0.71069","MoKα","","0.0674","0.0428","","","","0.1033","","","","","","1.04","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2009051","8.0257","0.0001","25.8793","0.0003","12.1196","0.0001","90","","94.7901","0.0002","90","","2508.44","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Chloroethyl)diisopropylammonium Tetrachlorocobaltate(II)","","- C16 H38 Cl6 Co N2 -","- C16 H38 Cl6 Co N2 -","- C64 H152 Cl24 Co4 N8 -","4","1","OS1065","Mahmoudkhani, Amir H.; Langer, Vratislav","Bis[(2-chloroethyl)diisopropylammonium] tetrachlorocobaltate(II)","Acta Crystallographica Section C","1999","55","10","1631","1634","10.1107/S0108270199007362","","","0.71073","MoKα","","0.07","0.045","","","","0.111","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009052","7.4986","0.0015","11.574","0.002","20.032","0.004","90","","90","","90","","1738.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hedychenone","4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","QA0128","Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen","Hedychenone from <i>Hedychium Yunnanense</i> Gagnep","Acta Crystallographica Section C","1999","55","10","IUC9900129","","10.1107/S0108270199098649","","","0.71073","MoKα","","0.066","0.059","","","","0.155","","","","","","1.106","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009053","7.255","0.001","10.741","0.002","11.115","0.002","90","","100.142","0.014","90","","852.6","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Na2 O20 P4 Zn -","- H16 Na2 O20 P4 Zn -","- H32 Na4 O40 P8 Zn2 -","2","0.5","QA0160","Harrison, William T. A.","A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900113","","10.1107/S0108270199098789","","","0.71073","MoKα","","","0.038","","","","0.035","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009054","7.6438","0.0013","7.848","0.0009","7.9642","0.0015","64.561","0.014","84.822","0.014","72.443","0.013","410.91","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H10 K2 O18 P4 Zn2 -","2","1","QA0161","Harrison, William T. A.","A potassium zinc phosphate hydrate, KZn(HPO~4~)(H~2~PO~4~)^.^H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900112","","10.1107/S0108270199098790","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","0.881","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009055","6.847","0.005","8.708","0.005","18.055","0.005","78.87","0.05","86.27","0.05","76.58","0.05","1027.2","1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","3-(Triphenylstannyl)propyl ethanoate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","QA0165","Low, John Nicolson; Ferguson, George; Wardell, James L.","3-(Triphenylstannyl)propyl ethanoate","Acta Crystallographica Section C","1999","55","10","IUC9900117","","10.1107/S010827019909873X","","","0.7107","MoKα","","0.023","0.018","","","","0.058","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009056","9.929","0.003","8.895","0.002","14.482","0.004","90","","90","","90","","1279","0.6","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H12 O8 -","- C12 H12 O8 -","- C48 H48 O32 -","4","0.5","QA0166","Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.","A cyclic dimer of ethyleneglycol maleate","Acta Crystallographica Section C","1999","55","10","IUC9900115","","10.1107/S0108270199098704","","","0.7107","MoKα","","0.0571","0.0361","","","","0.1085","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009057","7.5729","0.0002","9.0936","0.0002","11.3877","0.0003","90","","96.193","0.001","90","","779.64","0.03","175","2","175","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,5-dichloro-2-nitroaniline","","- C6 H4 Cl2 N2 O2 -","- C6 H4 Cl2 N2 O2 -","- C24 H16 Cl8 N8 O8 -","4","1","QA0168","Britton, Doyle","4,5-Dichloro-2-nitroaniline","Acta Crystallographica Section C","1999","55","10","IUC9900116","","10.1107/S0108270199098698","","","0.71073","MoKα","","0.056","0.045","","0.112","","0.107","","","1.09","","","1.12","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009058","11.986","0.0017","7.035","0.0011","11.1186","0.0017","90","","97.727","0.003","90","","929","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-(3R)-hydroxymethyl-cyclohexene-(4S)-carbolactone-(5S)-carboxylic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","QA0169","Brewster, Matthew A.; Carducci, Michael D.; Rainier, Jon D.","The Diels‒Alder adduct (3a<i>S</i>,7a<i>R</i>,4<i>S</i>)-1,3,3a,-4,5,7a-hexahydro-7-methyl-3-oxoisobenzofuran-4-carboxylic acid","Acta Crystallographica Section C","1999","55","10","IUC9900126","","10.1107/S0108270199098674","","","0.71073","MoKα","","0.108","0.045","","","","0.117","","","","","","0.852","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009059","11.5244","0.0002","19.1647","0.0003","24.8355","0.0001","90","","90","","90","","5485.21","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro Pyrazolidine [5.3] 4'-Flavanone.","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","QA0170","Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.","2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]","Acta Crystallographica Section C","1999","55","10","IUC9900120","","10.1107/S0108270199098662","","","0.71073","MoKα","","0.085","0.055","","","","0.128","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009060","10.112","0.002","19.144","0.007","10.511","0.003","90","","118.35","0.02","90","","1790.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-chloro-tricarbonyl(dicyclohexylphosphine)rhenium]","","- C30 H46 Cl2 O6 P2 Re2 -","- C30 H46 Cl2 O6 P2 Re2 -","- C60 H92 Cl4 O12 P4 Re4 -","2","0.5","QA0171","Flörke, Ulrich","Di-μ-chloro-bis[tricarbonyl(dicyclohexylphosphine)rhenium]","Acta Crystallographica Section C","1999","55","10","IUC9900119","","10.1107/S0108270199098777","","","0.71073","MoKα","","0.044","0.025","","","","0.054","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009061","19.75","0.003","19.75","0.003","12.24","0.002","90","","90","","120","","4134.7","1.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","Hexa-tetraethylammonium di-υ~3~iodo-triυ~4~-iodohexkis(iodosilver(I)), (Et~4~N)~6~[Ag~6~I~11~]I","","- C48 H120 Ag6 I12 N6 -","- C48 H120 Ag6 I12 N6 -","- C96 H240 Ag12 I24 N12 -","2","0.166667","QA0172","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","Hexakis(tetraethylammonium) tri-μ~4~-iodo-di-μ~3~-iodo-hexakis[iodosilver(I)] iodide, (Et~4~ N)~6~[Ag~6~I~11~]I","Acta Crystallographica Section C","1999","55","10","IUC9900122","","10.1107/S0108270199098765","","","0.71073","MoKα","","0.046","0.035","","0.094","","0.092","","","1.139","","","1.224","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2009062","11.1271","0.0012","9.2899","0.001","14.565","0.003","90","","100.573","0.005","90","","1480","0.4","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl (-)-(2S,3S,4S,5R,6S,R~S~)-3-hydroxy-5-(1-{N-[(R)-1-hydroxy-3-methylbut-2-yl]- 4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine-1-carboxylate","","- C30 H44 N2 O5 S -","- C30 H44 N2 O5 S -","- C60 H88 N4 O10 S2 -","2","1","QA0173","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(‒)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>,<i>R</i>~S~)-1-<i>tert</i>-Butoxycarbonyl-3-hydroxy-5-(1(<i>S</i>)-{<i>N</i>-[(<i>R</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K","Acta Crystallographica Section C","1999","55","10","IUC9900114","","10.1107/S0108270199098625","","","0.71073","MoKα","","0.044","0.039","","","","0.107","","","","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009063","9.314","0.001","12.084","0.001","12.583","0.001","112.804","0.001","108.744","0.001","92.976","0.001","1210.76","0.19","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C52 H58 N2 O8 -","2","1","QA0174","Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert","Ethyl (<i>E</i>)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate","Acta Crystallographica Section C","1999","55","10","IUC9900118","","10.1107/S0108270199098686","","","0.71069","MoKα","","0.142","0.038","","","","0.075","","","","","","0.837","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009064","8.1911","0.0003","9.0791","0.0003","19.2164","0.0008","90","","97.7742","0.0019","90","","1415.95","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C12 H20 N2 O S2 -","- C12 H20 N2 O S2 -","- C48 H80 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.0784","0.0434","","","","0.1256","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009065","8.0494","0.0007","9.2472","0.0004","20.1232","0.0016","90","","94.709","0.003","90","","1492.8","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C13 H22 N2 O S2 -","- C13 H22 N2 O S2 -","- C52 H88 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.1175","0.0572","","","","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009066","6.0365","0.0002","17.3779","0.0005","22.679","0.0008","90","","90","","90","","2379.07","0.13","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Bis[(ferrocenylmethyl)thio]-1,3-dithiole-2-thione","","- C25 H22 Fe2 S5 -","- C25 H22 Fe2 S5 -","- C100 H88 Fe8 S20 -","4","1","QA0176","Low, John Nicolson; Chohan, Zahid H.; Howie, R. Alan; Wardell, James L.","4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1999","55","10","IUC9900124","","10.1107/S0108270199098728","","","0.71073","MoKα","","0.063","0.044","","","","0.115","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009067","9.0696","0.0015","16.809","0.002","9.2603","0.0011","90","","114.804","0.012","90","","1281.5","0.3","134","2","134","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-N-(tert-butoxycarbonyl)-3-[3,5-bis-(trifluoromethyl)- phenylmethoxy]-4,5-dimethyl-2-phenyl-pyrrolidine","","- C26 H29 F6 N O3 -","- C26 H29 F6 N O3 -","- C52 H58 F12 N2 O6 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.049","0.047","","","","0.13","","","","","","1.675","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009068","9.8727","0.0018","8.8917","0.0011","16.527","0.002","90","","102.162","0.012","90","","1418.3","0.4","134","2","134","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-3-[3,5-bis-(trifluoromethyl)-phenylmethoxy]-4,5-dimethyl-2- phenyl-pyrrolidinyl p-toluenesulfonate","","- C28 H29 F6 N O4 S -","- C28 H29 F6 N O4 S -","- C56 H58 F12 N2 O8 S2 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.061","0.047","","","","0.113","","","","","","1.294","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009069","6.349","0.001","6.936","0.001","9.282","0.002","95.62","0.03","104.58","0.03","113.44","0.03","353.8","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","1","0.5","QA0179","Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei","Tetraaquabis(4-pyridinecarboxylato-<i>N</i>)iron(II)","Acta Crystallographica Section C","1999","55","10","IUC9900127","","10.1107/S0108270199098741","","","0.71073","MoKα","","0.037","0.031","","","","0.08","","","","","","1.071","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009070","9.9921","0.0001","13.2646","0.0002","12.1386","0.0002","90","","90.47","0.001","90","","1608.81","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C15 H16 Cl2 N2 O3 -","- C15 H16 Cl2 N2 O3 -","- C60 H64 Cl8 N8 O12 -","4","1","QA0180","Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Methyl (<i>SR</i>)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","1999","55","10","IUC9900128","","10.1107/S0108270199098650","","","0.71073","MoKα","","0.05","0.041","","","","0.121","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009071","14.7482","0.0008","8.2538","0.0006","26.6697","0.0013","90","","100.42","0.003","90","","3192.9","0.3","106","2","106","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis,trans-Bis(acetonitrile)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate","","- C14 H15 Cl2 N4 O0.5 Ru -","- C14 H15 Cl2 N4 O0.5 Ru -","- C112 H120 Cl16 N32 O4 Ru8 -","8","1","QB0111","Huh, Seong; Park, Seongsoon; Lough, Alan. J.","<i>cis</i>,<i>trans</i>-Bis(acetonitrile-<i>N</i>)(2,2'-bipyridine-<i>N</i>,<i>N</i>')dichlororuthenium(II) hemihydrate","Acta Crystallographica Section C","1999","55","10","IUC9900125","","10.1107/S0108270199098753","","","0.71073","MoKα","","0.082","0.041","","","","0.077","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009072","15.001","0.009","7.385","0.003","15.078","0.013","90","","95.45","0.06","90","","1662.8","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[3-(3-Indenyl)propyl]-benzylammonium bromide","","- C19 H22 Br N -","- C19 H22 Br N -","- C76 H88 Br4 N4 -","4","1","QB0113","Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit","Benzyl[3-(3-indenyl)propyl]ammonium bromide","Acta Crystallographica Section C","1999","55","10","IUC9900130","","10.1107/S0108270199098637","","","1.54056","CuKα","","0.041","0.031","","0.077","","0.074","","","0.94","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009073","9.0165","0.0004","11.3057","0.0003","13.4155","0.0006","90","","90","","90","","1367.55","0.09","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine","","- C10 H15 N5 O4 S -","- C10 H15 N5 O4 S -","- C40 H60 N20 O16 S4 -","4","1","SK1287","Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine","Acta Crystallographica Section C","1999","55","10","1727","1730","10.1107/S0108270199008495","","","0.71073","MoKα","","0.061","0.047","","","","0.128","","","","","","1.208","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009074","10.1911","0.0011","11.3039","0.0013","11.0983","0.0011","90","","115.83","0.002","90","","1150.8","0.2","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","SK1291","Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan","4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol","Acta Crystallographica Section C","1999","55","10","1691","1692","10.1107/S0108270199008501","","","0.71073","MoKα","","","0.036","","","","0.045","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009075","9.0652","0.001","11.5566","0.0011","16.2857","0.0016","90","","100.558","0.008","90","","1677.3","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 N6 O10 Zn -","- C34 H32 Cu2 N6 O10 Zn -","- C68 H64 Cu4 N12 O20 Zn2 -","2","0.5","SK1295","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa","Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)","Acta Crystallographica Section C","1999","55","10","1652","1654","10.1107/S0108270199008513","","","0.71073","MoKα","","","0.036","","","","0.04","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009076","7.5447","0.0005","12.0046","0.0007","13.7852","0.0008","74.077","0.001","75.359","0.001","72.462","0.001","1124.96","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-phenyldiazenyl-1H-imidazole-N)silver(I) nitrate methanol solvate","","- C19 H20 Ag N9 O4 -","- C19 H20 Ag N9 O4 -","- C38 H40 Ag2 N18 O8 -","2","1","SK1302","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","Bis[2-(phenylazo)imidazole-<i>N</i>]silver(I) nitrate methanol solvate","Acta Crystallographica Section C","1999","55","10","1644","1646","10.1107/S0108270199008525","","","0.71073","MoKα","","0.094","0.057","","","","0.16","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009077","14.0268","0.0001","15.0988","0.0002","13.3565","0.0002","90","","111.16","0.01","90","","2638.02","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone)cadmium(II)","","- C18 H22 Cd I2 N6 O2 S2 -","- C18 H22 Cd I2 N6 O2 S2 -","- C72 H88 Cd4 I8 N24 O8 S8 -","4","1","SK1305","Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1639","1641","10.1107/S0108270199008537","","","0.71073","MoKα","","0.042","0.037","","","","0.09","","","","","","1.149","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009078","9.0605","0.0002","17.8725","0.0001","31.4066","0.0006","90","","90","","90","","5085.79","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","1","SK1309","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu","1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one","Acta Crystallographica Section C","1999","55","10","1674","1675","10.1107/S0108270199008744","","","0.71073","MoKα","","0.1306","0.067","","","","0.1581","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009079","6.3799","0.0001","14.9302","0.0002","16.108","0.0002","90","","91.636","0.001","90","","1533.71","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxaldehyde","","- C16 H10 N4 O6 -","- C16 H10 N4 O6 -","- C64 H40 N16 O24 -","4","1","SK1310","Shanmuga Sundara Raj, S.; Jeyakanthan, J.; Selvi, S.; Velmurugan, D.; Fun, H.-K; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section C","1999","55","10","1667","1669","10.1107/S0108270199008690","","","0.71073","MoKα","","0.0796","0.0553","","","","0.155","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009080","7.994","0.006","8.371","0.007","25.14","0.02","90","","90","","90","","1682","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","SX1083","Caruso, Francesco; Besmer, Angela; Rossi, Miriam","The absolute configuration of sertraline (Zoloft) hydrochloride","Acta Crystallographica Section C","1999","55","10","1712","1714","10.1107/S0108270199008343","","","0.71073","MoKα","","","0.058","","","0.049","","","","","","","1.391","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009081","12.67","0.002","7.368","0.001","29.704","0.005","90","","96.92","0.01","90","","2752.7","0.7","130","0.1","130","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-trimethylgermylethyl p-nitrobenzoate","","- C12 H17 Ge N O4 -","- C12 H17 Ge N O4 -","- C96 H136 Ge8 N8 O32 -","8","1","TA1258","White, Jonathan M.","Trimethylgermylethyl <i>p</i>-nitrobenzoate","Acta Crystallographica Section C","1999","55","10","1660","1662","10.1107/S0108270199007258","","","1.5418","CuKα","","0.032","0.03","","0.085","0.081","","","","0.977","0.992","0.992","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009082","6.625","0.001","11.476","0.001","7.127","0.001","90","","105.03","0.01","90","","523.32","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-cis-Pinonic Acid","(1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","BK1455","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-<i>cis</i>-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid","Acta Crystallographica Section C","1999","55","11","1908","1911","10.1107/S0108270199009555","","","0.71073","MoKα","","0.041","0.035","","","","0.089","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009083","25.869","0.008","12.494","0.004","6.198","0.002","90","","90","","90","","2003.2","1.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6'R)‒6'‒Methyl‒2',5'‒dioxo‒(17R)spiro[11β‒hydroxy-androst‒4‒en‒ 3‒one‒17,3'‒[1,4]‒dioxane]","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","BK1456","Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little","The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors","Acta Crystallographica Section C","1999","55","11","1870","1873","10.1107/S0108270199008008","","","0.71069","MoKα","","0.0674","0.048","","","","0.1542","","","","","","1.151","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009084","9.438","0.002","12.6375","0.0018","9.7641","0.0013","90","","110.953","0.014","90","","1087.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diacetate-μ-[N,N'-bis[2-(2-aminoethylpyridine]oxamide]dicopper(II)","","- C20 H22 Cu2 N4 O6 -","- C20 H22 Cu2 N4 O6 -","- C40 H44 Cu4 N8 O12 -","2","0.5","BK1463","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Rodrigues, Ana M. G. D.; de Paula, M.; de Sousa, Gerimário F.","[μ-<i>N</i>,<i>N</i>'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]","Acta Crystallographica Section C","1999","55","11","1791","1793","10.1107/S0108270199009476","","","0.71073","MoKα","","0.126","0.056","","","","0.184","","","","","","1.23","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009085","11.325","0.002","16.996","0.002","17.193","0.002","90","","99.78","0.01","90","","3261.2","0.8","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-methyl-3',4'-dimethoxy-4-stilbazolium tetraphenylborate","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","","- C40 H38 B N O2 -","- C40 H38 B N O2 -","- C160 H152 B4 N4 O8 -","4","1","BK1469","De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","1999","55","11","1938","1939","10.1107/S0108270199009579","","","0.71073","MoKα","","0.074","0.034","","0.072","","0.063","","","0.82","","","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009086","12.377","0.003","6.974","0.0014","19.822","0.004","90","","102.82","0.03","90","","1668.3","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate","","- C10 H18 N2 Ni O8 S2 -","- C10 H18 N2 Ni O8 S2 -","- C40 H72 N8 Ni4 O32 S8 -","4","2","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.042","0.036","","","","0.099","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009087","8.434","0.002","8.782","0.002","11.344","0.002","90.47","0.03","91.27","0.03","104.23","0.03","814.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua-(2,10-phenanthroline-N,N')-(thiosulfato-S)-nickel(II) monohydrate.","","- C12 H16 N2 Ni O7 S2 -","- C12 H16 N2 Ni O7 S2 -","- C24 H32 N4 Ni2 O14 S4 -","2","1","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.026","0.025","","","","0.071","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009088","15.194","0.003","11.059","0.002","16.262","0.003","90","","102.19","0.03","90","","2670.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Co F6 N4 O6 P3 S2 -","- C14 H24 Co F6 N4 O6 P3 S2 -","- C56 H96 Co4 F24 N16 O24 P12 S8 -","4","1","BK1474","Ye-Xiang Tong; Cheng-Yong Su; Bei-Sheng Kang; Xiao-Lan Yu; Xiao-Ming Chen","Bis(pyrimidine-2-thiolato-<i>N</i>,<i>S</i>)bis(trimethyl phosphite-<i>P</i>)cobalt(III) hexafluorophosphate","Acta Crystallographica Section C","1999","55","11","1800","1802","10.1107/S0108270199009488","","","0.71073","MoKα","","0.125","0.067","","","","0.164","","","","","","1.079","","","","has coordinates,has disorder","189124","2020-10-21","18:00:00",""
"2009089","13.32","0.002","16.118","0.002","13.609","0.002","90","","94.76","0.01","90","","2911.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro-bis(2-(2-hydroxyphenyl)benzothiazolato) oxorhenium (V). 1.5CH~2~Cl~2~","","- C27.5 H19 Cl4 N2 O3 Re S2 -","- C27.5 H18 Cl4 N2 O3 Re S2 -","- C110 H72 Cl16 N8 O12 Re4 S8 -","4","1","BK1478","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chattopadhyay, Pabitra; Lo, Jem-Mau; Chung, Chung-Sun","Bis[2-(1,3-benzothiazol-2-yl)phenolato-<i>O</i>,<i>N</i>]chlorooxorhenium(V)‒dichloromethane (1/1.5)","Acta Crystallographica Section C","1999","55","11","1802","1804","10.1107/S0108270199010008","","","0.71073","MoKα","","0.0843","0.0394","","","","0.096","","","","","","0.962","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009090","7.25","0.003","9.938","0.005","11.169","0.006","72.88","0.04","82.74","0.04","83.4","0.04","760.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","spiro-1',1'-(2-methylamino-tio-troponyl)-2',4',6'-trinitrocyclohexadiene.","","- C14 H10 N4 O6 S -","- C14 H10 N4 O6 S -","- C28 H20 N8 O12 S2 -","2","1","BM1341","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Budarina, Zoya N.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","11","1915","1918","10.1107/S0108270199009646","","","0.71073","MoKα","","0.1571","0.0721","","0.2095","","0.1626","","","0.93","","","1.158","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009091","12.984","0.007","13.034","0.005","16.749","0.008","82.04","0.03","72.31","0.04","87.45","0.04","2674","2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H36 F6 N6 O14 -","- C31 H18 F3 N3 O7 -","- C124 H72 F12 N12 O28 -","4","2","BM1342","Kovalevsky, A. Yu.; Shishkin, O. V.; Ponomarev, I. I.","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate","Acta Crystallographica Section C","1999","55","11","1914","1915","10.1107/S0108270199009385","","","0.71073","MoKα","","0.1918","0.062","","0.1796","","0.1777","","","0.883","","","1.154","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009092","12.996","0.005","10.106","0.005","12.717","0.011","90","","110.35","0.06","90","","1566","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","","- C15 H13 N3 O6 -","- C15 H13 N3 O6 -","- C60 H52 N12 O24 -","4","1","BM1347","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Vaslyaeva, Galina S.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section C","1999","55","11","1920","1921","10.1107/S0108270199009166","","","0.71073","MoKα","","0.08","0.057","","0.161","","0.131","","","1.08","","","1.14","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009093","7.879","0.003","10.971","0.006","19.831","0.009","90","","91.2","0.03","90","","1713.8","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-triethylammoniomethyl-1,3-dioxolane)-2-spiro-1'-2',4',6'-trinitro- cyclohexadienide","","- C15 H22 N4 O8 -","- C15 H22 N4 O8 -","- C60 H88 N16 O32 -","4","1","BM1348","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide","Acta Crystallographica Section C","1999","55","11","1918","1920","10.1107/S0108270199009233","","","0.71073","MoKα","","0.2099","0.0771","","0.264","","0.1722","","","0.876","","","1.177","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009094","8.905","0.004","9.497","0.003","10.321","0.005","93.83","0.03","99.9","0.03","90.42","0.03","857.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23.5 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","1","0.5","BM1349","Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V.","<i>N</i>,<i>N</i>'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5)","Acta Crystallographica Section C","1999","55","11","1911","1913","10.1107/S010827019900949X","","","0.71073","MoKα","","","0.0887","","","","0.236","","","","","","1.13","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009095","11.9557","0.0007","12.111","0.0007","17.931","0.001","99.79","0.001","98.943","0.001","114.365","0.001","2255.8","0.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","(tpp)Zr(Cl)[N(SiMe~3~)~2~] (tpp = 5,10,15,20-tetraphenylporphyrinato dianion)","","- C50 H46 Cl N5 Si2 Zr -","- C50 H46 Cl N5 Si2 Zr -","- C100 H92 Cl2 N10 Si4 Zr2 -","2","1","BM1353","Kim, Hee-Joon; Kim, Kimoon","The first amidozirconium(IV)‒porphyrin complex: <i>cis</i>-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)","Acta Crystallographica Section C","1999","55","11","1814","1815","10.1107/S0108270199009919","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.104","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009096","7.7939","0.0008","12.3957","0.0014","7.978","0.001","90","","97.48","0.01","90","","764.2","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxypiperidinium iodide","","- C5 H12 I N O -","- C5 H12 I N O -","- C20 H48 I4 N4 O4 -","4","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.017","0.014","","","","0.035","","","","","","1.071","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009097","9.1378","0.001","10.9924","0.0014","30.58","0.003","90","","90","","90","","3071.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C104 H224 N16 O24 -","8","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.088","0.038","","","","0.078","","","","","","0.797","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009098","16.3206","0.0007","15.6683","0.0007","19.3267","0.0009","90","","90","","90","","4942.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B N O2 -","- C13 H14 B N O2 -","- C208 H224 B16 N16 O32 -","16","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.0618","0.0474","","","","0.118","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009099","9.729","0.0013","10.3311","0.0014","15.589","0.002","91.087","0.003","106.477","0.003","94.123","0.003","1497.4","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 B N O2 -","- C18 H16 B N O2 -","- C72 H64 B4 N4 O8 -","4","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.1219","0.0644","","","","0.1669","","","","","","0.872","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009100","12.564","0.004","13.452","0.004","7.021","0.002","90","","113.74","0.03","90","","1086.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cadmium sodium trivanadate","","- Cd3.23 Na1.41 O12 V3.36 -","- Cd3.229 Na1.409 O12 V3.362 -","- Cd12.916 Na5.636 O48 V13.448 -","4","0.5","BR1215","Lahcen El Ammari; Mohamed Azrour; Wulf Depmeier; K.-F. Hesse; Brahim Elouadi","Cadmium sodium trivanadate","Acta Crystallographica Section C","1999","55","11","1743","1746","10.1107/S0108270199007787","","","0.71069","MoKα","","0.036","0.027","","0.066","","0.063","","","1.063","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009101","6.266","0.001","6.266","0.001","8.103","0.002","90","","90","","120","","275.52","0.09","350","1","350","1","","","","","","","","3","P -3 m 1","-P 3 2""","164","Thallium Molybdate","Dithallium molybdate","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo2 O8 Tl4 -","2","0.166667","BR1242","Friese, K.; Madariaga, G.; Breczewski, T.","Tl~2~MoO~4~ at 350K","Acta Crystallographica Section C","1999","55","11","1753","1755","10.1107/S0108270199008616","","","0.71073","MoKα","","0.046","0.039","","","","0.092","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009102","9.124","0.004","7.792","0.0018","13.059","0.004","90","","90","","90","","928.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","silver iododiphosphate","","","- Ag5 I O7 P2 -","- Ag5 I O7 P2 -","- Ag20 I4 O28 P8 -","4","1","BR1248","Adams, Stefan; Preusser, Andrea","Silver-ion conduction pathways in Ag~5~IP~2~O~7~","Acta Crystallographica Section C","1999","55","11","1741","1743","10.1107/S0108270199009634","","","0.71073","MoKα","","0.028","0.025","","","","0.063","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009103","8.4551","0.0003","8.4551","0.0003","8.4551","0.0003","90","","90","","90","","604.44","0.04","293","2","298","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Franklinite","Zinc Iron Oxide","","- Fe1.96 Mn0.36 O4 Zn0.68 -","- Fe2 Mn0.35 O4 Zn0.65 -","- Fe16 Mn2.8 O32 Zn5.2 -","8","0.0416667","BR1249","Doriguetto, Antônio C.; Fernandes, Nelson G.","Manganese-rich natural Franklinite","Acta Crystallographica Section C","1999","55","11","1751","1753","10.1107/S0108270199010045","","","0.71073","MoKα","","0.018","0.017","","","","0.026","","","","","","1.3","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009104","8.045","0.002","18.037","0.002","10.056","0.001","90","","99.27","0.01","90","","1440.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate","","- C12 H40 N4 O16 P4 -","- C12 H40 N4 O16 P4 -","- C24 H80 N8 O32 P8 -","2","0.5","CF1294","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar","Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate","Acta Crystallographica Section C","1999","55","11","1932","1934","10.1107/S010827019900877X","","","0.71069","MoKα","","0.0396","0.0335","","","","0.0906","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009105","13.0824","0.0019","18.808","0.003","29.608","0.005","90","","90","","90","","7285","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen's Catalyst","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) manganese(III) chloride: A Jacobsen's Catalyst","","- C36 H52 Cl Mn N2 O2 -","- C36 H52 Cl Mn N2 O2 -","- C288 H416 Cl8 Mn8 N16 O16 -","8","2","CF1320","Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-(‒)-[Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (<i>R</i>,<i>R</i>)-Jacobsen catalyst","Acta Crystallographica Section C","1999","55","11","1766","1769","10.1107/S0108270199009397","","","0.71073","MoKα","","0.065","0.048","","","","0.138","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009106","11.905","0.002","9.9448","0.0014","14.8508","0.0015","90","","110.079","0.01","90","","1651.4","0.4","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl5 O3 Zr -","- C18 H24 Cl10 O6 Zr2 -","- C36 H48 Cl20 O12 Zr4 -","2","0.5","CF1324","Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M.","The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation","Acta Crystallographica Section C","1999","55","11","1789","1791","10.1107/S0108270199010355","","","0.71069","MoKα","","","0.036","","","","0.147","","","","","","0.975","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009107","12.0332","0.0006","10.5925","0.0006","12.1984","0.0007","90","","107.432","0.003","90","","1483.42","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H6 In O3 -","- Cl3 H6 In O3 -","- Cl24 H48 In8 O24 -","8","2","CF1325","Aris, Damian R.; Errington, William; Willey, Gerald R.","<i>fac</i>-Triaquatrichloroindium(III)","Acta Crystallographica Section C","1999","55","11","1746","1748","10.1107/S0108270199008793","","","0.71073","MoKα","","0.028","0.022","","","","0.048","","","","","","0.977","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009108","9.645","0.008","9.994","0.002","12.918","0.006","90","","90","","90","","1245.2","1.2","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(trimetylamine) aluminiumtrichloride","","- C6 H18 Al Cl3 N2 -","- C6 H18 Al Cl3 N2 -","- C24 H72 Al4 Cl12 N8 -","4","0.5","CF1327","Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim","Bis-adduct of trimethylamine with aluminium trichloride","Acta Crystallographica Section C","1999","55","11","1797","1798","10.1107/S0108270199009658","","","0.71069","MoKα","","0.026","0.02","","","","0.059","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009109","10.1159","0.0005","15.5291","0.0007","13.363","0.0006","90","","110.744","0.001","90","","1963.12","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) Spiro (5-fluoro-3H-indol-3,2'-thiazolidine)-2,4'-(1H)-dione","","- C21 H17 F N4 O3 S -","- C21 H17 F N4 O3 S -","- C84 H68 F4 N16 O12 S4 -","4","1","CF1329","Jain, Subhash C.; Sinha, Juhi; Bhagat, Sunita; Babu, B. Ravindra; Bali, Shilpika","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3<i>H</i>-indole-3,2'-thiazolidine]-2(1<i>H</i>),4'-dione","Acta Crystallographica Section C","1999","55","11","1826","1829","10.1107/S010827019900966X","","","0.71073","MoKα","","0.053","0.037","","0.097","0.09","","","","1.03","1.094","1.094","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009110","11.7637","0.0013","13.961","0.0015","9.6642","0.001","90","","113.054","0.003","90","","1460.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Diphenyl-5-acetoxyisoxazolidene","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0955","0.0505","","","","0.123","","","","","","0.997","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009111","17.9115","0.0013","11.6279","0.0013","7.701","0.0007","90","","95.842","0.003","90","","1595.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0632","0.0431","","","","0.0977","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009112","17.3562","0.0019","6.0765","0.0006","15.8695","0.0017","90","","98.732","0.004","90","","1654.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Chlorophenyl-N-methylcyanamide","","- C8 H7 Cl N2 -","- C8 H7 Cl N2 -","- C64 H56 Cl8 N16 -","8","1","CF1331","Cunningham, Ian D.; Light, Mark E.; Hursthouse, Michael B.","<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylcyanamide","Acta Crystallographica Section C","1999","55","11","1833","1835","10.1107/S0108270199010379","","","0.71073","MoKα","","","0.0486","","","","0.1408","","","","","","0.993","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009113","6.108","0.001","7.026","0.002","11.492","0.002","97.21","0.02","99.23","0.02","96.39","0.02","478.57","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bipyridine-5-sulfonic acid","","- C10 H8 N2 O3 S -","- C10 H8 N2 O3 S -","- C20 H16 N4 O6 S2 -","2","1","DA1080","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.","2,2'-Bipyridine-5-sulfonic acid","Acta Crystallographica Section C","1999","55","11","1921","1923","10.1107/S0108270199010203","","","0.71069","MoKα","","0.032","0.029","","0.082","0.077","","","","1.075","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009114","6.2452","0.0005","7.869","0.0006","24.151","0.0014","90","","90","","90","","1186.86","0.15","297","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","DA1097","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar","2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione","Acta Crystallographica Section C","1999","55","11","1943","1945","10.1107/S0108270199010082","","","1.54184","CuKα","","0.036","0.034","","","","0.106","","","","","","1.063","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009115","9.866","0.002","6.01","0.003","21.697","0.005","90","","99.58","0.01","90","","1268.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.106","0.052","","","","0.122","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009116","7.646","0.002","10.799","0.004","15.446","0.005","90","","93.02","0.02","90","","1273.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-exo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.067","0.044","","","","0.101","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009117","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","FG1566","Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terry; Tavener, Stewart","A new polymorph of sulfathiazole","Acta Crystallographica Section C","1999","55","11","1831","1833","10.1107/S0108270199010112","","","0.71073","MoKα","","","0.046","","","","0.079","","","","","","0.858","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009118","12.269","0.002","6.081","0.001","20.176","0.002","90","","102.629","0.009","90","","1468.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl3 O Te -","- C12 H13 Cl3 O Te -","- C48 H52 Cl12 O4 Te4 -","4","1","FG1570","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I.","Acetonyldichloro[(<i>Z</i>)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","11","1930","1932","10.1107/S0108270199009269","","","0.71073","MoKα","","0.039","0.03","","","","0.086","","","","","","1.047","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009119","7.385","0.001","11.491","0.002","15.202","0.002","90","","101.94","0.01","90","","1262.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,-12aβ-heptamethyl -1,2,3,4,4a,5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ -icosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C60 H88 O8 -","2","1","FG1571","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section C","1999","55","11","1902","1905","10.1107/S0108270199010124","","","0.71073","MoKα","","0.061","0.041","","","","0.095","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009120","10.741","0.001","12.387","0.001","12.196","0.002","90","","112.61","0.01","90","","1497.9","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N3 O S -","- C17 H10 Cl N3 O S -","- C68 H40 Cl4 N12 O4 S4 -","4","1","FR1204","Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt","6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-<i>b</i>]-1,2,4-triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","1999","55","11","1939","1941","10.1107/S0108270199009816","","","0.71069","MoKα","","","0.035","","","","0.045","","","","","","0.9","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009121","15.14","0.002","9.671","0.001","7.621","0.002","90","","117.85","0.01","90","","986.6","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","acenaphthene-5,6-dicarboxylic anhydride","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","0.5","FR1213","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride","Acta Crystallographica Section C","1999","55","11","1852","1854","10.1107/S0108270199009270","","","0.71073","MoKα","","","0.041","","","","0.079","","","","","","1.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009122","10.4475","0.0001","10.4475","0.0001","22.8183","0.0002","90","","90","","90","","2490.62","0.04","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","0.5","FR1214","Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","Acta Crystallographica Section C","1999","55","11","1850","1852","10.1107/S0108270199010136","","","0.71073","MoKα","","0.128","0.06","","","","0.141","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009123","4.963","0.001","10.458","0.002","28.31","0.004","90","","94.716","0.016","90","","1464.4","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","FR1217","Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde","1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1<i>H</i>-indole <i>S</i>-oxide","Acta Crystallographica Section C","1999","55","11","1873","1874","10.1107/S0108270199010148","","","0.71069","MoKα","","","0.035","","","","0.104","","","","","","1.053","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009124","9.374","0.002","10.391","0.001","13.41","0.001","90","","105.54","0.01","90","","1258.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2',5'-dimethylbiphenyl-2-carboxylic acid","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","FR1218","Gerkin, Roger E.","2',5'-Dimethylbiphenyl-2-carboxylic acid","Acta Crystallographica Section C","1999","55","11","1859","1861","10.1107/S010827019900904X","","","0.71073","MoKα","","","0.056","","","","0.063","","","","","","1.52","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009125","5.318","0.001","23.1","0.001","7.619","0.002","90","","109.92","0.01","90","","880","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-(2-methylphenyl)propan-1-oic acid","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","FR1221","Gerkin, Roger E.","3-(2-Methylphenyl)propanoic acid","Acta Crystallographica Section C","1999","55","11","1857","1859","10.1107/S0108270199009063","","","0.71073","MoKα","","","0.051","","","","0.082","","","","","","1.44","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009126","17.4","0.003","27.085","0.002","6.119","0.002","90","","90","","90","","2883.8","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","FR1226","Aumiller, Wade D.; Gerkin, Roger E.","Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section C","1999","55","11","1855","1857","10.1107/S010827019900983X","","","0.71073","MoKα","","","0.063","","","","0.076","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009127","10.361","0.006","8.144","0.004","20.158","0.003","90","","101.299","0.008","90","","1668","1.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1-dimethylaminomethyl-8-dimethylammoniomethylnaphthalene) 3,4-dioxocyclobut-1-ene-1,2-diolate dihydrate","","- C36 H50 N4 O6 -","- C36 H50 N4 O6 -","- C72 H100 N8 O12 -","2","0.5","GD1043","Bouma, Barend; Kooijman, Huub; Kroon, Jan; Grech, Eugeniusz; Brzezinski, Bogumił","1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate","Acta Crystallographica Section C","1999","55","11","1824","1826","10.1107/S0108270199009853","","","0.71073","MoKα","","0.0787","0.0483","","","","0.1366","","","","","","1.043","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009128","9.8833","0.001","17.9581","0.001","19.2752","0.001","90","","90.578","0.01","90","","3420.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(8-Dimethylamino-1-naphtyl)dimethylammonium 6-fluoro-2-(trifluoromethyl)-4-quinolinolate -6-fluoro-2-(trifluoromethyl)-4-quinolinol","","- C36 H31 F8 N5 O2 -","- C34 H28 F8 N4 O2 -","- C136 H112 F32 N16 O8 -","4","0.5","GD1044","Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz","1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate","Acta Crystallographica Section C","1999","55","11","1822","1824","10.1107/S0108270199009671","","","0.7173","MoKα","","0.0896","0.058","","","","0.12","","","","","","1.119","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009129","7.3872","0.0009","9.6082","0.0013","7.4972","0.0014","90","","115.444","0.01","90","","480.52","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-Pinononic acid","(+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","GD1053","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-<i>trans</i>-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid","Acta Crystallographica Section C","1999","55","11","1899","1902","10.1107/S0108270199010380","","","0.71073","MoKα","","0.041","0.035","","","","0.09","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009130","8.623","0.002","8.631","0.0008","14.896","0.003","90","","102.848","0.009","90","","1080.9","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","yttrium sodium oxalate tetrahydrate","","","- C4 H8 Na O12 Y -","- C4 H8 Na O12 Y -","- C16 H32 Na4 O48 Y4 -","4","2","GS1049","Bataille, Thierry; Louër, Daniel","Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O","Acta Crystallographica Section C","1999","55","11","1760","1762","10.1107/S0108270199009683","","","0.71073","MoKα","","0.115","0.042","","","","0.096","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009131","11.2968","0.0004","11.8091","0.0007","12.8835","0.001","90","","90","","90","","1718.72","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0533","0.0402","","","","0.1118","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009132","11.2963","0.0008","11.8026","0.0011","12.8831","0.0011","90","","90","","90","","1717.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0482","0.0354","","","","0.098","","","","","","0.988","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009133","11.963","0.002","7.824","0.002","17.573","0.002","90","0.02","106.9","0.02","90","0.03","1573.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Salannin","Salannin","","- C34 H44 O9 -","- C34 H44 O9 -","- C68 H88 O18 -","2","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.08","0.058","","","","0.212","","","","","","0.833","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009134","7.236","0.003","12.764","0.004","31.892","0.004","90","","90","","90","","2945.6","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deacetylsalannin","3-deacetylsalannin","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.05","0.044","","","","0.134","","","","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009135","29.0676","0.0002","8.8013","0.0001","18.447","0.0001","90","","125.978","0.001","90","","3819.1","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","","- C16 H22 Fe N6 O S2 -","- C16 H22 Fe N6 O S2 -","- C128 H176 Fe8 N48 O8 S16 -","8","1","HA1259","Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","Acta Crystallographica Section C","1999","55","11","1762","1764","10.1107/S0108270199008811","","","0.71073","MoKα","","0.056","0.038","","","","0.092","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009136","11.611","0.005","10.297","0.006","13.165","0.003","90","","115.58","0.03","90","","1419.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 Ni S -","- C13 H11 Cl N4 Ni S -","- C52 H44 Cl4 N16 Ni4 S4 -","4","1","HA1262","Liu, Ze-Hua; Liu, Yong-Jiang; Duan, Chun-Ying; You, Xiao-Zeng","(2-Benzoylpyridine-<i>N</i> thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)chloronickel(II)","Acta Crystallographica Section C","1999","55","11","1804","1806","10.1107/S0108270199008823","","","0.71073","MoKα","","0.065","0.038","","0.091","0.08","","","","1.024","1.076","1.076","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009137","9.919","0.001","12.898","0.002","14.045","0.002","90","","101.983","0.005","90","","1757.7","0.4","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10,13,18-tetraazatetracyclo[8.6.6.0^3,8^]docasa-3,5,7-triene-11,17-dione monohydrate","","- C18 H28 N4 O3 -","- C18 H28 N4 O3 -","- C72 H112 N16 O12 -","4","1","HA1263","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","An <i>o</i>-xylyl cross-bridged 5,12-dioxocyclam","Acta Crystallographica Section C","1999","55","11","1888","1889","10.1107/S0108270199008835","","","0.71073","MoKα","","0.071","0.047","","","0.124","0.137","","","","","","1.061","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009138","10.7311","0.0007","23.123","0.002","11.0657","0.0008","90","","112.043","0.004","90","","2545.1","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","14,14-Dimethyl-12-oxa-tricyclo[9.2.1.03,8]tetradeca- 3,5,7-trien-13-one","","- C15 H18 O2 -","- C15 H13.5 O2 -","- C120 H108 O16 -","8","2","JA1001","Zimmer, Reinhold; Zahn, Gernot; Khan, Faiz Ahmed; Reissig, Hans-Ulrich","Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8^]tetradeca-3,5,7-trien-13-one","Acta Crystallographica Section C","1999","55","11","1941","1943","10.1107/S0108270199009014","","","0.71073","MoKα","","0.0943","0.0514","","","","0.1185","","","","","","1.138","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009139","8.906","0.001","18.295","0.002","21.855","0.003","90","","90","","90","","3561","0.7","291","2","18","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","phenanthroline‒tetraaqua‒zinc(II) sulfate dihydrate","","- C12 H20 N2 O10 S Zn -","- C12 H20 N2 O10 S Zn -","- C96 H160 N16 O80 S8 Zn8 -","8","1","JA1003","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate","Acta Crystallographica Section C","1999","55","11","1815","1817","10.1107/S0108270199009294","","","0.71073","MoKα","","0.073","0.035","","0.077","","0.07","","","0.841","","","1.008","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009140","11.101","0.002","8.404","0.002","12.836","0.003","90","","92.68","0.03","90","","1196.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","JZ1351","Wolska, Irena; Herold, Franciszek","4-Phenyl-2,3,5,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>c</i>]pyrimidine-1,3-dione","Acta Crystallographica Section C","1999","55","11","1950","1952","10.1107/S0108270199009026","","","1.54178","CuKα","","0.0473","0.0419","","0.1397","","0.1194","","","1.049","","","1.102","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009141","11.015","0.002","7.678","0.003","30.045","0.004","90","","99.02","0.01","90","","2509.6","1.1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H50 -","- C30 H50 -","- C120 H200 -","4","2","JZ1362","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime","Filic-3-ene, a pentacyclic triterpene from <i>Davallia canariensis</i>","Acta Crystallographica Section C","1999","55","11","1835","1837","10.1107/S0108270199009762","","","0.71073","MoKα","","0.1598","0.0598","","","","0.1971","","","","","","0.884","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009142","8.762","0.001","9.596","0.002","16.363","0.003","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","JZ1363","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel","4β,15-Dihydro-3-dehydrosolstitialin A","Acta Crystallographica Section C","1999","55","11","1837","1839","10.1107/S010827019900918X","","","0.71073","MoKα","","0.045","0.034","","","","0.098","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009143","9.377","0.002","9.94","0.001","15.344","0.002","93.06","0.02","98.17","0.03","98.23","0.02","1397.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetato-bis(3-amino-5-phenylpyrazole)zinc(II)","","- C24 H32 N6 O6 Zn -","- C24 H32 N6 O6 Zn -","- C48 H64 N12 O12 Zn2 -","2","1","KA1325","Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~<i>L</i>~2~]^.^2MeOH (<i>L</i> = 3-amino-5-phenylpyrazole)","Acta Crystallographica Section C","1999","55","11","1769","1771","10.1107/S0108270199010331","","","0.71073","MoKα","","0.0845","0.0506","","0.1643","","0.1459","","","1.027","","","1.131","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009144","5.826","0.001","17.925","0.004","17.949","0.004","90","","90","","90","","1874.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl5 N2 Sb -","- C8 H24 Cl5 N2 Sb -","- C32 H96 Cl20 N8 Sb4 -","4","1","KA1330","Bujak, Maciej; Zaleski, Jacek","Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)","Acta Crystallographica Section C","1999","55","11","1775","1778","10.1107/S0108270199009464","","","0.71073","MoKα","","0.04","0.03","","","","0.079","","","","","","1.121","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009145","7.5598","0.0001","15.5263","0.0002","13.0732","0.0002","90","","98.1394","0.001","90","","1519.02","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-4-methyl-1H-pyrazole.","","- C16 H12 N4 O5 -","- C16 H12 N4 O5 -","- C64 H48 N16 O20 -","4","1","KA1331","Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","1999","55","11","1926","1928","10.1107/S0108270199008276","","","1.5418","CuKα","","0.0777","0.0524","","","","0.2397","","","","","","1.094","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009146","7.242","0.0014","10.862","0.002","14.2846","0.0016","90","","90","","90","","1123.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-2'-deoxyadenosine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.035","0.033","","","","0.088","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009147","5.869","0.0006","10.8869","0.0013","17.5477","0.0014","90","","90","","90","","1121.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(2'-deoxy-α-D-erythro-pentofuranosyl)-8-aza-7-deazaadenine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.046","0.041","","","","0.11","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009148","18.864","0.008","14.476","0.004","5.473","0.001","90","","90","","90","","1494.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Carpaine","Carpaine","","- C28 H50 N2 O4 -","- C28 H50 N2 O4 -","- C56 H100 N4 O8 -","2","0.5","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0462","0.0413","","","","0.1363","","","","","","1.438","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009149","11.96","0.001","7.403","0.001","18.978","0.001","90","0.01","99.67","0.01","90","0.01","1656.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Carpaine hydrobromide","Carpaine hydrobromide","","- C28 H54 Br2 N2 O5 -","- C28 H54 Br2 N2 O5 -","- C56 H108 Br4 N4 O10 -","2","1","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0536","0.0359","","","","0.0908","","","","","","1.101","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009150","13.4224","0.0001","11.1181","0.0001","7.5341","0.0006","90","","97.761","0.003","90","","1114.03","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(picolinoyl)hydrazine","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C48 H40 N16 O8 -","4","0.5","NA1420","Sichang Shao; Dunru Zhu; You Song; Xiao Zeng You; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>,<i>N</i>'-Bis(picolinoyl)hydrazine","Acta Crystallographica Section C","1999","55","11","1841","1843","10.1107/S0108270199009890","","","0.71073","MoKα","","0.072","0.052","","","","0.146","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009151","9.341","0.0001","9.8782","0.0001","12.4671","0.0002","87.427","0.001","88.548","0.001","88.604","0.001","1148.53","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-(n-morpholinomethyl)-1-phenol","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","2","NA1421","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Jing-Zhi Tian; Zhen Shen; Jin-Qi Zhang; Xiao-Zeng You","4-Chloro-2-(morpholinomethyl)phenol","Acta Crystallographica Section C","1999","55","11","1843","1845","10.1107/S0108270199009907","","","0.71073","MoKα","","0.154","0.065","","","","0.205","","","","","","1.007","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009152","12.783","0.004","16.645","0.003","9.834","0.003","90","","90","","90","","2092.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)","","","- C21 H24 N2 O5 V -","- C21 H24 N2 O5 V -","- C84 H96 N8 O20 V4 -","4","1","OA1089","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>endo</i>-{6,6'-Diethoxy-2,2'-[(<i>R</i>)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxovanadium(IV)","Acta Crystallographica Section C","1999","55","11","1812","1813","10.1107/S0108270199008847","","","0.71073","MoKα","","0.067","0.048","","","","0.12","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009153","7.419","0.002","7.419","","19.935","0.004","90","","90","","90","","1097.3","0.4","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dichlorobis(pyrimidine)cobalt(II)","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C32 H32 Cl8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.042","0.031","","","","0.0735","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009154","7.576","0.001","7.576","","19.889","0.002","90","","90","","90","","1141.54","0.19","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dibromobis(pyrimidine)cobalt(II)","","- C8 H8 Br2 Co N4 -","- C8 H8 Br2 Co N4 -","- C32 H32 Br8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.0636","0.051","","","","0.1398","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009155","7.357","0.002","15.528","0.002","15.137","0.002","90","","94.68","0.02","90","","1723.5","0.6","293.2","","293.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl2 N4 O2 Pt -","- C14 H20 Cl2 N4 O2 Pt -","- C56 H80 Cl8 N16 O8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.041","0.026","","0.08","","0.08","","","0.929","","","0.929","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009156","7.483","0.004","15.061","0.004","18.836","0.005","90","","99.7","0.04","90","","2092.5","1.4","295.2","","295.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 F12 N4 P2 Pt -","- C14 H16 F12 N4 P2 Pt -","- C56 H64 F48 N16 P8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.061","0.046","","0.669","","0.127","","","5.962","","","1.306","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2009157","10.8176","0.0018","9.7701","0.0013","15.242","0.003","90","","108.832","0.018","90","","1524.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate","","- C31 H41 N O2 S Se -","- C31 H41 N O2 S Se -","- C62 H82 N2 O4 S2 Se2 -","2","1","OA1092","Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko","Absolute configuration of 2,4,6-tri-<i>tert</i>-butyl-diphenylselenonium-<i>N</i>-toluene-4'-sulfonimide","Acta Crystallographica Section C","1999","55","11","1861","1862","10.1107/S0108270199008860","","","0.71073","MoKα","","0.063","0.039","","","","0.105","","","","","","1.033","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009158","13.356","0.005","23.06","0.005","14.719","0.005","90","0.005","90","0.005","90","0.005","4533","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H25 Ca N3 O5 S2 -","- C19 H25 Ca N3 O5 S2 -","- C152 H200 Ca8 N24 O40 S16 -","8","1","OB1014","Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira","<i>N</i>-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate","Acta Crystallographica Section C","1999","55","11","1819","1821","10.1107/S0108270199009300","","","1.54184","CuKα","","0.061","0.04","","","","0.117","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009159","8.296","0.005","6.654","0.002","10.993","0.002","90","","101.6","0.03","90","","594.4","0.4","297","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.039","0.037","","0.087","","0.084","","","1.76","","","1.76","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009160","9.222","0.002","9.241","0.004","8.644","0.004","116.26","0.03","113.55","0.03","92.65","0.03","582.9","0.5","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.046","0.045","","0.079","","0.077","","","1.51","","","1.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009161","13.142","0.01","15.479","0.008","14.712","0.006","90","","109.83","0.04","90","","2815","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloro-(meso-tetrapropylporphyrinato)-iron(III)","","- C32 H36 Cl Fe N4 -","- C32 H36 Cl Fe N4 -","- C128 H144 Cl4 Fe4 N16 -","4","1","OB1017","Ohgo, Yoshiki; Ikeue, Takahisa; Nakamura, Mikio","Chloro(<i>meso</i>-tetrapropylporphyrinato)iron(III)","Acta Crystallographica Section C","1999","55","11","1817","1819","10.1107/S0108270199009312","","","0.71069","MoKα","","0.1109","0.052","","","","0.208","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009162","3.3504","0.0003","5.8341","0.0007","12.07","0.005","90","","90","","90","","235.93","0.1","296.2","","295","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Fe0.33 In O3.33 Ti0.67 -","- Fe0.33 In O3.33 Ti0.67 -","- Fe1.32 In4 O13.32 Ti2.68 -","4","0.25","OH1115","Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi","Orthorhombic InFe~0.33~Ti~0.67~O~3.33~","Acta Crystallographica Section C","1999","55","11","1755","1757","10.1107/S0108270199009038","","","0.7107","MoKα","","0.0508","0.0323","","0.0569","","0.0569","","","3.957","","","3.957","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009163","16.249","0.002","16.3338","0.0012","17.414","0.003","81.362","0.01","87.18","0.012","67.335","0.009","4216.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris[3,6-bis(2'-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate","","- C42 H30.22 Cl2 N12 Ni O8.11 -","- C42 H30.226 Cl2 N12 Ni O8.113 -","- C168 H120.904 Cl8 N48 Ni4 O32.452 -","4","2","OS1057","Jau-Shuenn Wang; Chou-Fu Sheu; Jung-Si Lee","Tris[3,6-bis(2-pyridyl)pyridazine-<i>N</i>^1^,<i>N</i>^6^]nickel(II) diperchlorate 0.11-hydrate","Acta Crystallographica Section C","1999","55","11","1806","1809","10.1107/S0108270199009087","","","0.71073","MoKα","","0.096","0.057","","0.168","0.139","","","","1.046","1.081","1.081","","","","","has coordinates","211159","2020-10-21","18:00:00",""
"2009164","5.4902","0.0007","10.2004","0.0012","12.373","0.003","90","","100.783","0.014","90","","680.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H6 O16 P4 -","- Ba4 Ca2 H12 O32 P8 -","2","0.5","OS1058","Ben Tahar, Lotfi; Smiri, Leila; Driss, Ahmed","Refinement of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~","Acta Crystallographica Section C","1999","55","11","1757","1759","10.1107/S0108270199009427","","","0.71073","MoKα","","0.032","0.02","","0.047","","0.043","","","1.078","","","1.119","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009165","9.0081","0.001","9.5235","0.001","11.934","0.0013","97.054","0.009","105.34","0.009","106.471","0.009","924.9","0.19","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu Hg N2 O2 -","- C17 H16 Br2 Cu Hg N2 O2 -","- C34 H32 Br4 Cu2 Hg2 N4 O4 -","2","1","OS1060","Kaynak, F. Betül; Ülkü, Dinçer; Atakol, Orhan; Durmus̨, Sefa","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)","Acta Crystallographica Section C","1999","55","11","1784","1785","10.1107/S0108270199009191","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009166","15.502","0.007","10.91","0.004","3.848","0.001","90","","90","","90","","650.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium heptaoxide chloride","","- Cl Nb3 O7 -","- Cl Nb3 O7 -","- Cl4 Nb12 O28 -","4","0.5","QA0167","Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop","Redetermination of Nb~3~O~7~Cl","Acta Crystallographica Section C","1999","55","11","IUC9900133","","10.1107/S0108270199098601","","","0.7107","MoKα","","0.038","0.037","","","","0.0981","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009167","28.91","0.003","5.519","0.001","8.601","0.002","90","","95.25","0.01","90","","1366.6","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Diphenylpentane-2,4-dione","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","1.54178","CuKα","","0.04","0.035","","","","0.098","","","","","","1.071","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009168","37.501","0.008","5.805","0.001","8.313","0.002","90","","90.09","0.03","90","","1809.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Di-(2-naphtyl)pentane-2,4-dione","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","0.71073","MoKα","","0.0794","0.0441","","","","0.0931","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009169","14.9099","0.0013","14.9099","0.0013","8.548","0.002","90","","90","","90","","1900.3","0.5","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Hydroxy-1-phosphabicyclo[3.3.1]nonansulfide","","- C8 H15 O P S -","- C8 H15 O P S -","- C64 H120 O8 P8 S8 -","8","1","QA0182","Ziemer, Burkhard; Krauss, Babett","5-Hydroxy-1-phosphabicyclo[3.3.1]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900143","","10.1107/S0108270199098534","","","0.71073","MoKα","","0.021","0.02","","0.055","0.054","","","","1.079","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009170","13.108","0.003","11.694","0.002","13.41","0.003","90","","116.71","0.02","90","","1836.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1-Phosphabicyclo[4.3.0]nonansulfide","","- C8 H15 P S -","- C8 H15 P S -","- C64 H120 P8 S8 -","8","2","QA0183","Krauss, Babett; Ziemer, Burkhard","<i>cis</i>-1-Phosphabicyclo[4.3.0]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900148","","10.1107/S0108270199098522","","","0.71073","MoKα","","0.058","0.035","","0.105","0.079","","","","0.925","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009171","12.208","0.0015","8.4399","0.0012","16.375","0.003","90","","100.429","0.01","90","","1659.3","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ap 9-(o-Isopropylphenyl)-9-fluorenol","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","QB0106","Hou, Yuqing; Robinson, Paul D.; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenol","Acta Crystallographica Section C","1999","55","11","IUC9900144","","10.1107/S0108270199098510","","","0.71069","MoKα","","0.116","0.036","","","","0.114","","","","","","1.001","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009172","8.746","0.005","23.837","0.005","9.982","0.005","90","","125.43","0.03","90","","1695.7","1.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","AP-9-(o-isopropylphenyl)-9-fluorenyl Peroxide","","- C44 H38 O2 -","- C44 H38 O2 -","- C88 H76 O4 -","2","0.5","QB0107","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenyl peroxide","Acta Crystallographica Section C","1999","55","11","IUC9900147","","10.1107/S0108270199098509","","","0.71069","MoKα","","0.137","0.04","","","","0.121","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009173","8.1295","0.0011","13.7607","0.0013","10.0224","0.0019","90","","107.804","0.01","90","","1067.5","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S,R~S~)-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenyl- sulfonimidoylmethyl}-4-hydroxy-3-methyl-1-azabicyclo[3.3.0]octane","","- C21 H34 N2 O3 S -","- C21 H34 N2 O3 S -","- C42 H68 N4 O6 S2 -","2","1","QB0109","Heinrich, Timo; Reggelin, Michael; Bats, Jan W.","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,<i>R</i>~S~)-4-Hydroxy-2-{<i>N</i>-[(<i>R</i>)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K","Acta Crystallographica Section C","1999","55","11","IUC9900131","","10.1107/S0108270199098492","","","0.71073","MoKα","","0.0835","0.0633","","","","0.1417","","","","","","1.277","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009174","9.0144","0.0003","18.0745","0.0004","9.1181","0.0003","90","","90.548","0.002","90","","1485.55","0.08","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyisochroman-3-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C72 H64 O24 -","8","2","QB0110","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","4-Hydroxyisochroman-3-one","Acta Crystallographica Section C","1999","55","11","IUC9900138","","10.1107/S0108270199098480","","","0.71073","MoKα","","0.064","0.04","","","","0.105","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009175","27.22","0.003","4.1574","0.0006","17.2303","0.0014","90","","123.817","0.006","90","","1620","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Dihydrobenzo[c]thiophene-1-carboxylic Acid","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","1","QB0112","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","1,3-Dihydrobenzo[<i>c</i>]thiophene-1-carboxylic acid","Acta Crystallographica Section C","1999","55","11","IUC9900139","","10.1107/S0108270199098479","","","0.71073","MoKα","","0.049","0.036","","","","0.098","","","","","","1.088","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009176","7.9452","0.0003","3.9485","0.0002","8.7627","0.0004","90","","102.119","0.003","90","","268.77","0.02","100","0.1","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Hydroxy-N-methylcyanoacetamide","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","1","QB0114","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","2-Hydroxy-<i>N</i>-methylcyanoacetamide","Acta Crystallographica Section C","1999","55","11","IUC9900140","","10.1107/S0108270199098467","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.066","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009177","7.108","0.001","25.795","0.001","10.69","0.001","90","","94.88","0.01","90","","1952.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron","","- C25 H17 B O4 -","- C25 H17 B O4 -","- C100 H68 B4 O16 -","4","1","QB0115","Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi","(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron","Acta Crystallographica Section C","1999","55","11","IUC9900135","","10.1107/S0108270199098455","","","1.54178","CuKα","","0.095","0.06","","","","0.18","","","","","","1.014","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009178","9.986","0.001","14.823","0.002","9.514","0.001","98.24","0.01","91.32","0.01","80.49","0.01","1374.6","0.3","297","","","","","","","","","","","3","P 1","P 1","1","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C68 H68 O8 -","2","2","QB0116","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru","A triclinic polymorph of (<i>R</i>,<i>R</i>)-(‒)-<i>trans</i>-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1999","55","11","IUC9900132","","10.1107/S0108270199098443","","","0.71073","MoKα","","","0.035","","","","0.083","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009179","11.964","0.003","10.021","0.003","25.021","0.006","90","","94.69","0.02","90","","2989.8","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-[aqua-tricarbonyl-(1,2-bis(diphenylphosphino)ethane-P,P')manganese] tetrafluoroborate","","- C29 H26 B F4 Mn O4 P2 -","- C29 H26 B F4 Mn O4 P2 -","- C116 H104 B4 F16 Mn4 O16 P8 -","4","1","QB0117","Becker, Thomas M.; Krause Bauer, Jeanette A.","<i>fac</i>-Aqua[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']tricarbonylmanganese tetrafluoroborate (monoclinic form)","Acta Crystallographica Section C","1999","55","11","IUC9900141","","10.1107/S010827019909856X","","","0.71073","MoKα","","0.097","0.054","","0.279","","0.126","","","","","","1.059","","","","has coordinates,has Fobs","201201","2020-10-21","18:00:00",""
"2009180","4.9511","0.001","8.0427","0.0016","8.4362","0.0017","90","","90","","90","","335.93","0.12","293","2","293","2","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ba -","- Ag2 Ba -","- Ag8 Ba4 -","4","0.25","QB0118","Kang, Sung Kwon; Miller, Gordon J.","BaAg~2~","Acta Crystallographica Section C","1999","55","11","IUC9900134","","10.1107/S0108270199098595","","","0.71073","MoKα","","0.057","0.037","","","","0.074","","","","","","1.277","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009181","10.72","0.002","10.7","0.002","15.35","0.002","90","","90","","90","","1760.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 N2 O4 -","- C9 H6 N2 O4 -","- C72 H48 N16 O32 -","8","1","QB0119","Kovalevsky, A. Yu.; Ponomarev, I. I.","2-Methyl-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section C","1999","55","11","IUC9900136","","10.1107/S0108270199098431","","","0.71073","MoKα","","0.072","0.041","","0.149","","0.119","","","1","","","1.195","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009182","10.8394","0.0006","10.9358","0.0006","12.7335","0.0007","83.858","0.001","66.789","0.001","84.065","0.001","1376.16","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Dipyridyl-N,N')bis(1,1,1- trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)","","- C30 H20 F6 Mn N2 O4 -","- C30 H20 F6 Mn N2 O4 -","- C60 H40 F12 Mn2 N4 O8 -","2","1","QB0121","Dickman, Michael H.","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-<i>O</i>,<i>O</i>')manganese(II) at 173K","Acta Crystallographica Section C","1999","55","11","IUC9900146","","10.1107/S0108270199098558","","","0.71073","MoKα","","0.076","0.045","","","","0.13","","","","","","1.014","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009183","9.563","0.002","9.563","0.002","23.347","0.005","90","","90","","90","","2135.1","0.8","150","2","150","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tetrachloro(1,2-dimethoxyethane)titanium(IV)","","- C4 H10 Cl4 O2 Ti -","- C4 H10 Cl4 O2 Ti -","- C32 H80 Cl32 O16 Ti8 -","8","0.5","QB0122","Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J.","Tetrachloro(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section C","1999","55","11","IUC9900137","","10.1107/S0108270199098571","","","0.71073","MoKα","","0.02","0.019","","","","0.052","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009184","8.5812","0.001","9.9084","0.0011","5.8016","0.0009","90","","105.128","0.01","90","","476.19","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H Na2 O5 P Zn -","- H Na2 O5 P Zn -","- H4 Na8 O20 P4 Zn4 -","4","1","QB0123","Ng, Hunt Y.; Harrison, William T. A.","Sodium zinc phosphate hydroxide, Na~2~Zn(OH)PO~4~","Acta Crystallographica Section C","1999","55","11","IUC9900145","","10.1107/S0108270199098583","","","0.71073","MoKα","","","0.0295","","","","0.0307","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009185","6.3618","0.0014","7.5586","0.0012","11.059","0.002","90","","90","","90","","531.79","0.17","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H8 N2 Ti -","- F5 H8 N2 Ti -","- F20 H32 N8 Ti4 -","4","0.5","SK1262","Dadachov, Mike; Eriksson, Lars","Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^","Acta Crystallographica Section C","1999","55","11","1739","1741","10.1107/S0108270199008689","","","0.71073","MoKα","","0.0779","0.0333","","","","0.0649","","","","","","0.737","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009186","21.897","0.002","6.8919","0.0005","21.694","0.002","90","","90.953","0.007","90","","3273.4","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","21,22,23,24-Tetraoxaquaterene-2,7,12,17-tetraspirocyclohexane","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","0.5","SK1288","Pajewski, Robert; Pęcak, Agnieszka; Ostaszewski, Ryszard; Jurczak, Janusz","Tetracyclohexyloxaquaterene","Acta Crystallographica Section C","1999","55","","1862","1864","10.1107/S0108270199009099","","","1.54178","CuKα","","0.067","0.051","","0.146","","0.135","","","1.154","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009187","28.194","0.001","9.5793","0.0004","6.905","0.0003","90","","90","","90","","1864.89","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","SK1301","Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun","5-Nitroisophthalic acid hydrate","Acta Crystallographica Section C","1999","55","11","1845","1847","10.1107/S0108270199009105","","","0.71073","MoKα","","0.105","0.056","","","","0.127","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009188","9.6596","0.0018","7.0354","0.0012","12.436","0.002","90","","90","","90","","845.1","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Rubidiumtetrathiomolybdat","dirubidium tetrasulfidomolybdate(2-)","","- Mo Rb2 S4 -","- Mo Rb2 S4 -","- Mo4 Rb8 S16 -","4","0.5","SK1304","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Rb~2~MoS~4~","Acta Crystallographica Section C","1999","55","11","1748","1751","10.1107/S0108270199008549","","","0.71073","MoKα","","0.048","0.027","","","","0.066","","","","","","0.998","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009189","19.7378","0.001","5.5717","0.0002","25.6759","0.0011","90","","128.311","0.003","90","","2215.6","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl‒4,4‒thiodiphenol (3/2)","","- C54 H44 N6 O4 S2 -","- C54 H44 N6 O4 S2 -","- C108 H88 N12 O8 S4 -","2","0.5","SK1306","Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl‒4,4'-thiodiphenol (3/2)","Acta Crystallographica Section C","1999","55","11","1890","1892","10.1107/S0108270199008963","","","0.71073","MoKα","","0.0774","0.0405","","","","0.1016","","","","","","0.956","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009190","21.097","0.005","5.356","0.007","26.09","0.004","90","","107.173","0.013","90","","2817","4","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-phenyl-5-benzylidene-rhodanine","3-phenyl-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one","","- C16 H11 N O S2 -","- C16 H11 N O S2 -","- C128 H88 N8 O8 S16 -","8","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0729","0.0481","","","","0.1582","","","","","","1.032","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009191","9.91","0.003","16.737","0.003","14.412","0.002","90","","93.571","0.017","90","","2385.8","0.9","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,9-triphenyl-7-(phenymethylidene)-1,6-dithia-3,4,9- triazaspiro[4.4]non-2-en-8-one","","- C29 H21 N3 O S2 -","- C29 H21 N3 O S2 -","- C116 H84 N12 O4 S8 -","4","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0747","0.0431","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009192","10.7817","0.0003","7.4435","0.0002","15.9041","0.0004","90","","95.405","0.001","90","","1270.69","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis[2-(2-aminoethyl)pyridine-aquo]dicopper(II) diperchlorate","","- C14 H24 Cl2 Cu2 N10 O10 -","- C14 H24 Cl2 Cu2 N10 O10 -","- C28 H48 Cl4 Cu4 N20 O20 -","2","0.5","SK1311","Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You","Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-<i>N</i>,<i>N</i>']aquacopper(II)} diperchlorate","Acta Crystallographica Section C","1999","55","11","1764","1766","10.1107/S0108270199008987","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009193","9.877","0.001","4.737","0.001","12.877","0.001","90","","112.044","0.002","90","","558.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","SK1312","Luger, Peter; Weber, Manuela","<small>DL</small>-Cysteine at 298K","Acta Crystallographica Section C","1999","55","11","1882","1885","10.1107/S0108270199009208","","","0.71073","MoKα","","0.074","0.06","","","","0.202","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009194","10.9776","0.0001","14.0734","0.0002","17.3262","0.0002","90","","90","","90","","2676.76","0.05","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","11-carboxylatomethyl-15-carboxymethyl- 11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^octacosa- 4,6,8,17,19,21,25,27-octene bromide","","- C27 H31 Br N2 O6 S -","- C27 H31 Br N2 O6 S -","- C108 H124 Br4 N8 O24 S4 -","4","0.5","SK1313","Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen","11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide","Acta Crystallographica Section C","1999","55","11","1839","1841","10.1107/S0108270199009117","","","0.71073","MoKα","","0.075","0.057","","","","0.182","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009195","8.6658","0.0004","8.3101","0.0004","13.1431","0.0005","90","","98.336","0.001","90","","936.48","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","","- C24 H24 O2 -","- C24 H24 O2 -","- C48 H48 O4 -","2","0.5","SK1314","Jayanta Kumar Ray; Susmita Gupta; S. Shanmuga Sundara Raj; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","Acta Crystallographica Section C","1999","55","11","1847","1849","10.1107/S010827019900921X","","","0.71073","MoKα","","0.068","0.048","","","","0.14","","","","","","1.051","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009196","3.7335","0.0007","20.116","0.004","18.033","0.004","90","","91.708","0.005","90","","1353.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridyl 3,4-dihydroxy-3-cyclobutenedione (2/3)","","- C32 H22 N4 O12 -","- C32 H22 N4 O12 -","- C64 H44 N8 O24 -","2","0.5","SK1316","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher","Self-templating of large rings by small rings in 4,4'-bipyridyl‒3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)","Acta Crystallographica Section C","1999","55","11","1892","1896","10.1107/S010827019900952X","","","0.6891","synchrotron","","0.12","0.058","","","","0.144","","","","","","0.894","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009197","8.3594","0.0003","6.936","0.0004","9.5026","0.0003","90","","109.462","0.002","90","","519.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.71073","MoKα","","0.049","0.037","","","","0.098","","","","","","1.088","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009198","8.3393","0.0008","6.936","0.0007","9.5034","0.0009","90","","109.294","0.002","90","","518.82","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.6891","synchrotron","","0.049","0.043","","","","0.115","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009199","7.5611","0.0002","8.1393","0.0001","18.9671","0.0004","90","","94.798","0.001","90","","1163.18","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methoxy-2-methylnaphtho[1,2-b]thiophene","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","SK1318","Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","7-Methoxy-2-methylnaphtho[1,2-<i>b</i>]thiophene","Acta Crystallographica Section C","1999","55","11","1849","1850","10.1107/S0108270199009543","","","0.71073","MoKα","","0.057","0.041","","","","0.121","","","","","","1.043","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009200","16.318","0.001","7.362","0.001","8.229","0.001","90","","113.09","0.01","90","","909.38","0.19","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C28 H36 Br8 Ge2 N4 -","2","0.25","SK1320","Hensen, Karl; Faber, Alexander; Bolte, Michael","<i>trans</i>-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin","Acta Crystallographica Section C","1999","55","11","1774","1775","10.1107/S0108270199010409","","","0.71073","MoKα","","0.0934","0.0588","","","","0.1593","","","","","","0.998","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009201","9.7615","0.0009","13.0362","0.0012","9.7878","0.0009","90","","90.199","0.002","90","","1245.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Hexamethylenetetramine‒2,2'-biphenol (1/2)","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","SK1324","MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol","Acta Crystallographica Section C","1999","55","11","1867","1870","10.1107/S0108270199010422","","","0.6888","synchrotron","","0.075","0.066","","","","0.144","","","","","","1.101","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009202","14.19","0.003","57.435","0.01","17.4063","0.0018","90","","90","","90","","14186","4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","C-Ile","Cytosinyl-L-isoleucine dipeptide","","- C52 H99 N16 O25.5 -","- C53 H99 N16 O24.5 -","- C424 H792 N128 O196 -","8","1","SX1078","Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono","<i>N</i>-[3-(Cytosin-1-yl)propionyl]-<small>L</small>-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit","Acta Crystallographica Section C","1999","55","11","1865","1867","10.1107/S0108270199003650","","","1.5418","CuKα","","0.086","0.076","","","","0.222","","","","","","1.003","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009203","14.024","0.0019","18.884","0.001","19.6861","0.0016","90","","91.056","0.008","90","","5212.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.34 I0.17 O6.49 P4 Re1.83 -","- C55 H56 I0.17 O6.49 P4 Re1.83 -","- C220 H224 I0.68 O25.96 P16 Re7.32 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.109","0.057","","","","0.171","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009204","13.943","0.005","18.864","0.004","19.671","0.008","90","","91.23","0.03","90","","5173","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.72 I0.36 O5.92 P4 Re1.64 -","- C55 H56 I0.358 O5.926 P4 Re1.642 -","- C220 H224 I1.432 O23.704 P16 Re6.568 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.11","0.064","","","","0.179","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009205","13.832","0.007","18.746","0.01","19.654","0.007","90","","90.99","0.03","90","","5095","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-bis(diphenylphosphino)propane]dioxorhenium(V) iodide methanol solvate monohydrate","","- C55 H58 I O4 P4 Re -","- C55 H58 I O4 P4 Re -","- C220 H232 I4 O16 P16 Re4 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.12","0.077","","","","0.247","","","","","","1.049","","","","has coordinates","211158","2020-10-21","18:00:00",""
"2009206","8.889","0.001","8.107","0.001","28.715","0.001","90","","94.68","0.01","90","","2062.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-bis(ethylenediamine)-bis(pyridyl)nickel(II) nitrate","","- C14 H26 N8 Ni O6 -","- C14 H26 N8 Ni O6 -","- C56 H104 N32 Ni4 O24 -","4","1","SX1089","Baldwin, Michael J.; Krause Bauer, Jeanette A.","<i>cis</i>-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate","Acta Crystallographica Section C","1999","55","11","1772","1773","10.1107/S0108270199010458","","","0.71073","MoKα","","0.102","0.055","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009207","6.484","0.0011","15.208","0.0011","28.047","0.003","90","","90","","90","","2765.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[3S-(3a,3aα,5aβ,9aα,9bβ)]-9a-Acetyl-3a,4,5,5a,9a,9b-hexahydro -3,5a-dimethyl-2H-furo[3,2-h][1]benzopyran-2,8(3H)-dione,","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","2","SX1090","Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D.","An unexpected oxidation product of α-santonin","Acta Crystallographica Section C","1999","55","11","1881","1882","10.1107/S010827019901046X","","","0.71073","MoKα","","0.14","0.048","","","","0.118","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009208","12.5471","0.0002","17.0445","0.0001","16.7432","0.0003","90","","111.06","0.001","90","","3341.51","0.09","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cl3 Ir N2 O2 P -","- C33 H37 Cl3 Ir N2 O2 P -","- C132 H148 Cl12 Ir4 N8 O8 P4 -","4","1","TA1247","Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.","[<i>N</i>-Acetyl-<i>N</i>'-methylureato(2 ‒)-<i>N</i>,<i>N</i>'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-<i>P</i>)iridium(III) chloroform solvate","Acta Crystallographica Section C","1999","55","11","1778","1780","10.1107/S0108270199007581","","","0.71073","MoKα","","0.04","0.028","","","","0.066","","","","","","1.067","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009209","12.346","0.003","20.167","0.007","11.269","0.003","97.49","0.02","101.12","0.02","106.44","0.02","2589.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Cu4 N2 O Se6 -","- C45 H58 Cu4 N2 O Se6 -","- C90 H116 Cu8 N4 O2 Se12 -","2","1","TA1255","Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi","A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH","Acta Crystallographica Section C","1999","55","11","1799","1800","10.1107/S0108270199009403","","","0.71073","MoKα","","0.149","0.043","","","","0.108","","","","","","0.957","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009210","7.503","0.008","9.702","0.005","10.501","0.003","93.93","0.04","103.99","0.03","107.26","0.07","700.2","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","4-Benzoimidazol-2-yl-pyridinium N-oxide dihydrogenphosphate monohydrate","","- C12 H14 N3 O6 P -","- C12 H14 N3 O6 P -","- C24 H28 N6 O12 P2 -","2","1","TA1261","Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng","4-(1<i>H</i>,3<i>H</i>^+^-1,3-Benzimidazol-2-ylio)pyridine <i>N</i>-oxide dihydrogenphosphate monohydrate","Acta Crystallographica Section C","1999","55","11","1929","1930","10.1107/S0108270199010185","","","0.71073","MoKα","","0.041","0.033","","0.094","0.089","","","","1.065","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009211","9.272","0.002","11.134","0.008","10.434","0.005","90","","113.86","0.02","90","","985.1","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-propane sultone","3-hydroxy-1-propanesulfonic acid γ-sultone","","- C3 H6 O3 S -","- C3 H6 O3 S -","- C24 H48 O24 S8 -","8","4","BK1475","Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R.","Pseudosymmetry with <i>Z</i>' = 4 in 1,3-propanesultone at 100K","Acta Crystallographica Section C","1999","55","12","2126","2129","10.1107/S0108270199011592","","","0.71073","MoKα","","0.049","0.039","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009212","13.177","0.002","5.111","0.001","12.972","0.002","90","","116.63","0.01","90","","781","0.2","293","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) hydrogenphthalate dihydrate","","- C16 H14 Cu O10 -","- C16 H14 Cu O10 -","- C32 H28 Cu2 O20 -","2","0.5","BK1480","Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G.","Diaquabis(hydrogen phthalato)copper(II), a new phase","Acta Crystallographica Section C","1999","55","12","1997","2000","10.1107/S0108270199011610","","","0.71073","MoKα","","0.035","0.029","","","","0.092","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009213","11.793","0.007","7.766","0.002","14.926","0.004","90","","96.65","0.04","90","","1357.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","acetylferrocene thiosemicarbazone","","- C13 H15 Fe N3 S -","- C13 H15 Fe N3 S -","- C52 H60 Fe4 N12 S4 -","4","1","BK1482","Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin","Acetylferrocene thiosemicarbazone","Acta Crystallographica Section C","1999","55","12","2058","2060","10.1107/S010827019901077X","","","0.71073","MoKα","","0.052","0.044","","0.126","0.114","","","","1.085","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009214","5.894","0.001","8.806","0.001","17.176","0.001","90","","92.92","0.01","90","","890.32","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C40 H52 N4 O4 -","2","0.5","BK1485","Kuppayee, M.; Kumaran, D.; Ponnuswamy, M. N.; Kandaswamy, M.; Jayanthi Violet, M.; Chinnakali, K.; Hoong-Kun Fun","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","Acta Crystallographica Section C","1999","55","12","2147","2149","10.1107/S0108270199010781","","","0.71073","MoKα","","0.068","0.044","","0.134","0.12","","","","0.868","0.975","0.975","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009215","15.144","0.003","8.672","0.001","14.23","0.003","90","","124.79","0.01","90","","1534.8","0.5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl6 N6 Sn -","- C2 H12 Cl6 N6 Sn -","- C8 H48 Cl24 N24 Sn4 -","4","0.5","BK1486","Ishida, Hiroyuki; Furukawa, Yoshihiro; Kashino, Setsuo","Bis(guanidinium) hexachlorostannate(IV)","Acta Crystallographica Section C","1999","55","12","1995","1997","10.1107/S0108270199012032","","","0.71073","MoKα","","0.039","0.032","","0.039","","0.036","","","1.23","","","1.23","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009216","4.4957","0.0003","18.8581","0.0013","20.848","0.0015","90","","91.685","0.001","90","","1766.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea","","- C16 H18 Br N3 O2 S -","- C16 H18 Br N3 O2 S -","- C64 H72 Br4 N12 O8 S4 -","4","1","BK1492","Sudbeck, Elise A.; Jennissen, Jason D.; Venkatachalam, Taracad K.; Uckun, Fatih M.","Inhibitor of HIV-1 reverse transcriptase: <i>N</i>'-(5-bromo-2-pyridyl)-<i>N</i>-[2-(2,5-dimethoxyphenyl)ethyl]thiourea","Acta Crystallographica Section C","1999","55","12","2122","2124","10.1107/S0108270199012044","","","0.71073","MoKα","","0.0915","0.0369","","","","0.0972","","","","","","0.869","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009217","16.161","0.006","9.262","0.002","7.133","0.003","90","","90","","90","","1067.7","0.6","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","copper(I) cyanide/morpholine 3/1","","- C7 H9 Cu3 N4 S -","- C7 H9 Cu3 N4 S -","- C28 H36 Cu12 N16 S4 -","4","0.5","BK1494","Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P.","Copper(I) cyanide‒thiomorpholine (3/1)","Acta Crystallographica Section C","1999","55","12","2014","2016","10.1107/S0108270199011622","","","0.71073","MoKα","","0.0849","0.051","","0.125","","0.111","","","0.985","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009218","12.412","0.002","9.68","0.002","11.191","0.002","90","","90","","90","","1344.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","0.5","BM1331","Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.","(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione","Acta Crystallographica Section C","1999","55","12","2078","2080","10.1107/S0108270199012731","","","0.71073","MoKα","","0.063","0.048","","","","0.134","","","","","","1.058","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009219","47.6","0.006","6.6063","0.0008","22.135","0.002","90","","116.371","0.009","90","","6236.2","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[Dimethyltetrakis(urea-O)tin(IV)]bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","","- C12 H37 N11 O12 S4 Sn -","- C12 H37 N11 O12 S4 Sn -","- C96 H296 N88 O96 S32 Sn8 -","8","1","BM1351","Wirth, Andreas; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXIV. <i>trans</i>-Dimethyltetrakis(urea-<i>O</i>)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","Acta Crystallographica Section C","1999","55","12","2033","2035","10.1107/S0108270199011634","","","0.71073","MoKα","","0.0476","0.0298","","","","0.0615","","","","","","0.907","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009220","9.311","0.005","12.877","0.007","19.806","0.01","90","","94.74","0.04","90","","2367","2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Spiro(4,8-dibenzyl-1,3-dioxaazulenium-2,1'-2',4',6'-trinitrohexadienide)","","- C27 H19 N3 O8 -","- C27 H19 N3 O8 -","- C108 H76 N12 O32 -","4","1","BM1362","Borbulevych, Oleg Ya.; Antipin, Michail Yu.; Olekhnovich, Lev P.","4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","12","2177","2179","10.1107/S010827019901241X","","","0.71073","MoKα","","0.1537","0.0719","","0.1659","","0.1211","","","0.998","","","1.225","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009221","6.345","0.0015","10.242","0.003","21.554","0.006","90","","93.05","0.02","90","","1398.7","0.7","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-bis(methanesulfonyl)-1-adamantylamine","","- C12 H21 N O4 S2 -","- C12 H21 N O4 S2 -","- C48 H84 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0364","0.0317","","","","0.0872","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009222","13.08","0.003","11.978","0.003","27.915","0.004","90","","90","","90","","4373.5","1.6","178","2","178","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis(p-toluenesulfonyl)-1-adamantylamine","","- C24 H29 N O4 S2 -","- C24 H29 N O4 S2 -","- C192 H232 N8 O32 S16 -","8","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0963","0.044","","","","0.1289","","","","","","0.944","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009223","7.2362","0.0018","7.2831","0.0015","29.526","0.006","90","","90","","90","","1556.1","0.6","178","2","178","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1-adamantyl)-1,1,3,3-tetraoxo-1,3,2-benzodithiazole","","- C16 H19 N O4 S2 -","- C16 H19 N O4 S2 -","- C64 H76 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0378","0.0326","","","","0.0869","","","","","","1.032","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009224","8.057","0.0014","11.564","0.002","14.445","0.002","90","","95.225","0.004","90","","1340.3","0.4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(2-formylphenyl)ethyl]-2-fluoro-4-nitroaniline","","- C15 H13 F N2 O3 -","- C15 H13 F N2 O3 -","- C60 H52 F4 N8 O12 -","4","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.046","0.037","","","","0.102","","","","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009225","13.534","0.003","7.0535","0.0014","29.526","0.008","90","","90","","90","","2818.6","1.1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 F N2 O3 -","- C16 H15 F N2 O3 -","- C128 H120 F8 N16 O24 -","8","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.098","0.057","","","","0.211","","","","","","1.115","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009226","8.3093","0.0004","8.3093","0.0004","8.3093","0.0004","90","","90","","90","","573.71","0.05","302","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.022","","","","0.058","","","","","","1.894","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009227","5.8102","0.0008","5.8102","0.0008","8.4806","0.0009","90","","90","","90","","286.29","0.06","200.2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr8 Ni4 O16 -","4","0.125","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.0226","","","","0.0412","","","","","","1.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009228","5.772","0.001","5.772","0.001","26.538","0.001","90","","90","","120","","765.69","0.19","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","calcium oxide‒dialuminium trioxide‒calcium diiodate hydrate (3/1/1/10)","","- Al Ca2 H10 I O8 -","- Al Ca2 H10.002 I6 O8 -","- Al3 Ca6 H30.006 I18 O24 -","3","0.166667","BR1245","Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François","A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O","Acta Crystallographica Section C","1999","55","12","1957","1959","10.1107/S0108270199008665","","","1.54058","CuKα","","0.04","0.039","","","","0.112","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009229","9.288","0.0006","7.418","0.0007","9.383","0.0004","90","","90","","90","","646.47","0.08","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Trierbium digallide trigermanide","Trierbium digallide trigermanide","","- Er3 Ga2.21 Ge2.79 -","- Er3 Ga2.213 Ge2.787 -","- Er12 Ga8.852 Ge11.148 -","4","0.25","BR1251","Richard Welter; Gerard Venturini","Trierbium digallide trigermanide","Acta Crystallographica Section C","1999","55","12","1969","1970","10.1107/S0108270199010501","","","0.5609","AgKα","","0.026","0.02","","","","0.054","","","","","","0.704","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009230","6.722","0.002","11.088","0.002","13.475","0.004","90","","90","","90","","1004.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 Ba3 O Ta -","- As3 Ba3 O Ta -","- As12 Ba12 O4 Ta4 -","4","0.5","BR1254","Derrien, Gaëlle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Ba~3~TaAs~3~O displaying the distorted tetrahedral TaAs~3~O^6-^ anion","Acta Crystallographica Section C","1999","55","12","1976","1978","10.1107/S0108270199010057","","","0.71069","MoKα","","0.118","0.049","","","","0.13","","","","","","0.952","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009231","5.6969","0.0006","5.6969","0.0006","23.523","0.003","90","","90","","120","","661.15","0.13","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","sodium calcium tantalate","disodiumtricalciumditantalumnonaoxide","","- Ca3 Na2 O9 Ta2 -","- Ca3 Na2 O9 Ta2 -","- Ca9 Na6 O27 Ta6 -","3","0.166667","BR1255","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~2~Ca~3~Ta~2~O~9~ with a simple stacking of oxygen triangular nets","Acta Crystallographica Section C","1999","55","12","1978","1980","10.1107/S0108270199010513","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.187","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009232","8.0432","0.0003","8.0805","0.0003","8.8836","0.0003","65.119","0.001","67.516","0.001","68.326","0.001","468.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H2 O10 Se3 Zn3 -","- O10 Se3 Zn3 -","- O20 Se6 Zn6 -","2","1","BR1257","Harrison, William T. A.","An extreme case of ZnO~6~ octahedral distortion in trizinc tris(selenite) hydrate, Zn~3~(SeO~3~)~3~","Acta Crystallographica Section C","1999","55","12","1980","1983","10.1107/S0108270199011099","","","0.71073","MoKα","","0.0434","0.0299","","","","0.0593","","","","","","0.978","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009233","7.237","0.001","7.237","0.001","4.208","0.001","90","","90","","90","","220.39","0.07","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Potassium chloro-bromopalladate","Potassium chloro-bromopalladate(II)A","","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","1","0.0625","BR1258","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","The solid solution of composition K~2~PdBr~2.24~Cl~1.76~","Acta Crystallographica Section C","1999","55","12","1970","1972","10.1107/S0108270199011725","","","0.56087","AgKα","","0.036","0.03","","","","0.076","","","","","","1.189","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009234","14.593","0.0003","10.801","0.0002","7.309","0.0002","90","","108.35","0.02","90","","1093.46","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dioxoniobium disodium arsenate","","- As Na2 Nb O6 -","- As Na2 Nb O6 -","- As8 Na16 Nb8 O48 -","8","1","BR1262","Hizaoui, Khaled; Jouini, Noureddine; Driss, Ahmed; Jouini, Tahar","Na~2~NbO~2~AsO~4~, a new niobium monoarsenate","Acta Crystallographica Section C","1999","55","12","1972","1974","10.1107/S0108270199012421","","","0.71069","MoKα","","0.023","0.021","","0.059","","0.057","","","1.177","","","1.192","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009235","11.4944","0.0017","14.1547","0.0018","16.292","0.002","108.284","0.009","92.329","0.013","110.712","0.011","2319.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B N9 O4 Tb -","- C54 H41 B N9 O4 Tb -","- C108 H82 B2 N18 O8 Tb2 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0876","0.0477","","","","0.0826","","","","","","0.97","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009236","10.2193","0.0019","10.9574","0.0012","15.994","0.003","85.895","0.009","72.163","0.01","78.536","0.008","1670.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 B Cl2 Eu N10 O5 -","- C32 H26 B Cl2 Eu N10 O5 -","- C64 H52 B2 Cl4 Eu2 N20 O10 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0388","0.0279","","","","0.0581","","","","","","0.976","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009237","12.8648","0.0007","17.1212","0.001","18.7567","0.0011","101.627","0.001","91.701","0.001","111.515","0.001","3740.2","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","[trans-dioxo-bis(en)osmium(VI)] [trans-dioxo-bis(en)osmium(VI) -disulfatoferrate(II)","","- C16 H100 Fe4 N16 O58 Os4 S8 -","- C16 H64 Fe4 N16 O58 Os4 S8 -","- C32 H128 Fe8 N32 O116 Os8 S16 -","2","1","DA1073","Murmann, R. Kent; Barnes, Charles L.","[<i>trans</i>-Bis(en)dioxoosmium(VI)] <i>trans</i>-bis(en)dioxoosmium(VI)[aqua-η^1^-sulfato-η^2^-sulfatoiron(II)][diaquabis(η^1^-sulfato)iron(II)] hexahydrate","Acta Crystallographica Section C","1999","55","12","2004","2007","10.1107/S0108270199010070","","","0.7093","MoKα","","0.046","0.048","","0.056","","0.059","","","","","","1.19","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009238","4.993","0.001","8.418","0.002","7.858","0.002","90","","96.41","0.03","90","","328.22","0.13","294","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ammonium trivanadate(V)","","- H4 N O8 V3 -","- H4 N O8 V3 -","- H8 N2 O16 V6 -","2","0.5","DA1075","Bi-Zhou Lin; Shi-Xiong Liu","Ammonium trivanadate(V), NH~4~V~3~O~8~","Acta Crystallographica Section C","1999","55","12","1961","1963","10.1107/S0108270199007702","","","0.71069","MoKα","","0.043","0.036","","0.115","","0.102","","","1.151","","","1.173","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009239","21.85","0.002","11.7687","0.0007","13.3256","0.0008","90","","100.544","0.002","90","","3368.8","0.4","298.2","","298.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cd N10 O10 -","- C32 H28 Cd N10 O10 -","- C128 H112 Cd4 N40 O40 -","4","0.5","DA1076","Huang, Songping D.; Lewandowski, Brad J.; Liu, Chibiao (Charles); Shan, Yongkui","[Cd(4,4'-bipy)~2~(NO~3~)~2~](2-nitroaniline)~2~, a novel two-dimensional lattice inclusion compound","Acta Crystallographica Section C","1999","55","12","2016","2018","10.1107/S0108270199011130","","","0.7107","MoKα","","0.055","0.051","","0.089","","0.083","","","1.06","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009240","16.482","0.005","14.258","0.005","9.838","0.004","90","","90","","90","","2311.9","1.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-tert-butoxycarbonyl-7,9-dibenzyl-2-oxo-1,7,9-triazaspiro[4,5]dec-3-ene","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","0.5","DA1077","Dong, Yongkwan; Yun, Hoseop; Suh, Jang-Min; Ahn, Young-Gil; Ha, Hyun-Joon","Mirror symmetry in 7,9-dibenzyl-1-<i>tert</i>-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section C","1999","55","12","2088","2090","10.1107/S0108270199011373","","","0.71073","MoKα","","0.1169","0.0575","","","","0.1163","","","","","","1.009","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009241","11.093","0.002","21.665","0.004","16.823","0.005","90","","104.404","0.018","90","","3916","1.6","294","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trichloro(phenylimido)(1,1'-bis(diphenylphosphino)ferrocene)rhenium(V)","","- C41 H35 Cl5 Fe N P2 Re -","- C41 H35 Cl5 Fe N P2 Re -","- C164 H140 Cl20 Fe4 N4 P8 Re4 -","4","1","DA1088","Lee, Soon W.; Choi, Nam-Sun","[1,1'-Bis(diphenylphosphino)ferrocene]trichloro(phenylimido)rhenium(V) dichloromethane solvate","Acta Crystallographica Section C","1999","55","12","2018","2020","10.1107/S0108270199011385","","","0.71073","MoKα","","","0.0375","","","","0.0771","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009242","5.2955","0.0004","10.0638","0.0007","11.2503","0.0008","103.951","0.002","102.516","0.001","105.121","0.002","536.13","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-chlorophenyl)propenamide","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C22 H18 Cl2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.0508","","","","0.1357","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009243","4.7724","0.0001","24.1536","0.0001","9.1565","0.0002","90","","95.937","0.001","90","","1049.81","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(5-flurophenyl)propenamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0656","0.0528","","","","0.1698","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009244","4.9906","0.0002","9.3735","0.0003","11.8869","0.0001","77.394","0.002","86.404","0.002","88.065","0.002","541.47","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-N-(4-bromophenyl)but-2-enamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0789","0.0635","","","","0.1655","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009245","8.9641","0.0008","14.1215","0.0012","8.327","0.0007","90","","101.023","0.002","90","","1034.64","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-N-(2-flurophenyl)but-2-enamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0792","0.0555","","","","0.1468","","","","","","1.202","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009246","5.2782","0.0002","10.2335","0.0004","11.5754","0.0004","69.792","0.001","78.592","0.001","75.837","0.001","564.49","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-bromophenyl)propenamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.056","","","","0.1545","","","","","","0.988","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009247","8.425","0.003","9.427","0.002","8.087","0.002","103.64","0.02","109","0.02","108.39","0.02","533.7","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 S -","- C8 H14 N4 S -","- C16 H28 N8 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.052","","","","0.037","","","","","","2.27","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009248","9.539","0.002","14.177","0.002","5.275","0.002","99.64","0.02","95.69","0.03","90.03","0.01","699.7","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C26 H32 N8 O2 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.063","","","","0.088","","","","","","2.23","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009249","13.513","0.002","6.288","0.0009","32.903","0.003","90","","98.22","0.03","90","","2767","0.7","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","D-Friedoolean-14-en-3β-ol acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C128 H208 O8 -","4","1","DA1098","Billodeaux, Damon R.; Benavides, Gloria A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Taraxerol acetate at 100K","Acta Crystallographica Section C","1999","55","12","2129","2131","10.1107/S0108270199011403","","","0.71073","MoKα","","0.141","0.063","","","","0.249","","","","","","0.813","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009250","8.533","0.008","10.643","0.008","12.287","0.012","110.23","0.07","92.65","0.07","103.34","0.07","1009","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trichloro((p-aminophenyl)imido)(N-pchloro-pyridine-2-aldimine)rhenium(V).","","- C18 H15 Cl4 N4 Re -","- C18 H15 Cl4 N4 Re -","- C36 H30 Cl8 N8 Re2 -","2","1","DE1115","Banerjee, Sangeeta; Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar","A rhenium(V)‒arylimide species incorporating pyridine-2-aldimine chelation","Acta Crystallographica Section C","1999","55","12","2000","2002","10.1107/S0108270199010732","","","0.71073","MoKα","","0.03","0.026","","0.067","","0.061","","","1.077","","","1.086","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009251","6.952","0.002","8.909","0.003","6.531","0.002","94.76","0.03","111.03","0.02","73.74","0.02","362.4","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","trans-dinitro bis(N-ethyl ethane-1,2-diamine)nickel(II)","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","1","0.5","DE1116","Inamur Rahaman Laskar; Golam Mostafa; Debasis Das; Ken-ichi Okamoto; N. Ray Chaudhuri","<i>trans</i>-Bis(<i>N</i>-ethylethane-1,2-diamine)dinitronickel(II)","Acta Crystallographica Section C","1999","55","12","1994","1995","10.1107/S0108270199011063","","","0.7107","MoKα","","","0.029","","","","0.0393","","","","","","1.122","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009252","7.7234","0.0009","21.356","0.003","16.252","0.005","90","","92.882","0.015","90","","2677.2","1","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C112 H96 N32 S8 -","8","2","FG1553","Lakshmanan Govindasamy; Devadasan Velmurugan; Annamalai Senthilvelan; Il-Hawn Suh","4-(4-Methylphenyl)-3-(4-pyridyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","12","2098","2100","10.1107/S0108270199010094","","","0.71069","MoKα","","0.078","0.046","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009253","12.1605","0.0006","12.414","0.0006","25.061","0.001","83.771","0.001","82.672","0.001","62.875","0.001","3334.2","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","bis[(μ~3~-oxo)-μ~2~-(2-formylbenzoato-O,O')-(2-formylbenzoato-O)-bis(dibutyl- tin(IV)]","","- C64 H92 O14 Sn4 -","- C64 H92 O14 Sn4 -","- C128 H184 O28 Sn8 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009254","3.9463","0.0006","11.423","0.002","7.327","0.0011","90","","97.02","0.003","90","","327.81","0.09","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","3-hydroxyphthalide","","- C8 H6 O3 -","- C8 H6 O3 -","- C16 H12 O6 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.7","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2009255","9.1149","0.0006","7.5153","0.0004","18.1463","0.0008","90","","92.03","0.01","90","","1242.26","0.12","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","FR1200","Moreno-Fuquen, Rodolfo; Quiroga, Jairo; Insuasty, Braulio","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","Acta Crystallographica Section C","1999","55","12","2096","2098","10.1107/S0108270199010793","","","0.71073","MoKα","","0.069","0.047","","0.157","0.129","","","","1.097","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009256","6.4731","0.0001","11.4104","0.0001","20.4092","0.0003","90","","90","","90","","1507.44","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-trimethylsilyl-3,6-dimethyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","","- C10 H30 B2 N2 Si -","- C10 H30 B2 N2 Si -","- C40 H120 B8 N8 Si4 -","4","1","FR1209","Zheng, Chong; Hosmane, Narayan S.","3,3,6,6-Tetramethyl-1-trimethylsilyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","Acta Crystallographica Section C","1999","55","12","2107","2109","10.1107/S0108270199011294","","","0.71073","MoKα","","0.046","0.043","","","","0.115","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009257","10.364","0.001","12.657","0.001","26.59","0.002","90","","98.58","0.01","90","","3449","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ‒dimethylacetylenedicarboxylate)manganese cobalt heptacarbonyl","","- C13 H6 Co Mn O11 -","- C13 H6 Co Mn O11 -","- C104 H48 Co8 Mn8 O88 -","8","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.063","0.038","","","","0.088","","","","","","1.094","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009258","8.026","0.0001","8.1299","0.0001","12.6612","0.0001","87.343","0.001","71.85","0.003","79.125","0.001","770.88","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","(μ‒methyltetrolate)manganese cobalt heptacarbonyl","","- C12 H6 Co Mn O9 -","- C12 H6 Co Mn O9 -","- C24 H12 Co2 Mn2 O18 -","2","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.042","0.029","","","","0.073","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009259","9.3376","0.0004","10.1794","0.0004","10.9289","0.0005","95.498","0.001","103.262","0.001","90.284","0.001","1006.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-benzyl-N-(2-iodo-4-methylphenyl)cinnamamide","","- C23 H20 I N O -","- C23 H20 I N O -","- C46 H40 I2 N2 O2 -","2","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.06","0.043","","","","0.119","","","","","","1.037","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009260","15.1665","0.0016","6.2451","0.0006","19.946","0.002","90","","99.65","0.002","90","","1862.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-benzyl-N-(p-tolyl)cinnamamide","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.146","0.068","","","","0.157","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009261","13.035","0.001","11.6","0.001","8.668","0.001","90","","81.23","0.009","90","","1295.3","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FR1220","Gerkin, Roger E.","Network of C—H···O interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","Acta Crystallographica Section C","1999","55","12","2140","2142","10.1107/S0108270199009051","","","0.71073","MoKα","","","0.05","","","","0.068","","","","","","1.61","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009262","5.71","0.0008","7.8019","0.0015","7.9527","0.0007","75.319","0.012","79.168","0.009","77.967","0.016","331.75","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(ethylenediamine-N,N')bis(perchlorato-O)copper(II)","","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","1","0.5","FR1222","Maxcy, Karen R.; Turnbull, Mark M.","A redetermination of bis(ethylenediamine-<i>N</i>,<i>N</i>')bis(perchlorato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","12","1986","1988","10.1107/S010827019901152X","","","0.71073","MoKα","","0.042","0.041","","","","0.146","","","","","","1.179","","","","has coordinates","255511","2020-10-21","18:00:00",""
"2009263","23.433","0.005","7.018","0.004","9.554","0.004","90","","90","","90","","1571.2","1.2","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br2 -","- C18 H16 Br2 -","- C72 H64 Br8 -","4","0.5","FR1224","Luck, Rudy L.; Mendenhall, G. David","2-<i>tert</i>-Butyl-9,10-dibromoanthracene","Acta Crystallographica Section C","1999","55","12","2090","2091","10.1107/S0108270199011968","","","0.71069","MoKα","","","0.04","","","","0.112","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009264","7.811","0.001","11.1324","0.0008","11.831","0.001","87.508","0.007","71.538","0.008","87.198","0.009","974.23","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","di[quinolinium-4-carboxylic acid] sulfate monohydrate","bis(4-carboxyquinolinium) sulfate monohydrate","","- C20 H18 N2 O9 S -","- C20 H18 N2 O9 S -","- C40 H36 N4 O18 S2 -","2","1","FR1225","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(4-carboxyquinolinium) sulfate monohydrate","Acta Crystallographica Section C","1999","55","12","2142","2145","10.1107/S0108270199010586","","","0.71073","MoKα","","","0.056","","","","0.098","","","","","","1.61","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009265","10.996","0.003","11.423","0.003","13.501","0.003","102.36","0.02","111.79","0.02","100.28","0.02","1474.7","0.7","115","2","115","2","","","","","","","","5","P -1","-P 1","2","naphthyl 18-crown-6 t-butyl ammonium perchlorate complex","tert-butylammonium perchlorate‒2,5,8,11,14,17-hexaoxatricyclo[16.8.0.0^20,25^]hexacosa- 1(26),18,20(25),21,23-pentaene‒ethyl acetate‒dichloromethane (4/4/1/1)","","- C25.25 H40.5 Cl1.5 N O10.5 -","- C25.25 H40.5 Cl1.5 N O10.5 -","- C50.5 H81 Cl3 N2 O21 -","2","1","FR1227","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Weiss, Robert M.","The <i>tert</i>-butylammonium perchlorate complex of 2,3-naphtho-18-crown-6 at 115K","Acta Crystallographica Section C","1999","55","12","2091","2093","10.1107/S010827019901080X","","","0.7107","MoKα","","0.088","0.074","","0.249","","0.249","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2009266","6.718","0.01","13.595","0.01","15.637","0.01","114.015","0.01","95.196","0.01","94.984","0.01","1287","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis-ethylenediaminedinitrocobalt(III) perchlor","","","- C4 H16 Cl Co N6 O8 -","- C4 H16 Cl Co N6 O8 -","- C16 H64 Cl4 Co4 N24 O32 -","4","2","FR1228","Maxcy, Karen R.; Turnbull, Mark M.","<i>trans</i>-Bis(ethylenediamine)dinitrocobalt(III) perchlorate","Acta Crystallographica Section C","1999","55","12","1984","1986","10.1107/S010827019901197X","","","0.71073","MoKα","","0.0847","0.063","","","","0.2043","","","","","","1.207","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009267","6.9473","0.0006","7.4535","0.0006","25.0846","0.0017","90","","96.998","0.006","90","","1289.25","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glicinato hexaaaquo zinc(II)","","- C14 H32 N10 O16 Zn -","- C14 H32 N10 O16 Zn -","- C28 H64 N20 O32 Zn2 -","2","0.5","GD1042","Arranz-Mascarós, Paloma; Godino, M. Luz; López, Rafael; Cuesta, Rafael; Valenzuela-Calahorro, Cristóbal; Martín-Ramos, Daniel","Hexaaquazinc(II) bis[<i>N</i>-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glycinate] dihydrate","Acta Crystallographica Section C","1999","55","12","2049","2051","10.1107/S0108270199009518","","","0.71073","MoKα","","0.058","0.034","","","","0.087","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009268","11.611","0.002","12.14","0.007","13.584","0.004","110.13","0.04","97.62","0.02","94.56","0.04","1765.7","1.3","299","3","299","3","","","","","","","","5","P -1","-P 1","2","","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-O:O']- bis[bis(1,10-phenanthroline-N,N')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","1","0.5","GD1046","Poleti, Dejan; Karanović, Ljiljana; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-<i>O</i>:<i>O</i>']bis[bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","Acta Crystallographica Section C","1999","55","12","2061","2063","10.1107/S0108270199010720","","","0.7107","MoKα","","0.109","0.05","","","","0.126","","","","","","0.985","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009269","8.542","0.0005","11.8734","0.0007","15.0938","0.0005","90","","90","","90","","1530.85","0.14","291","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Mo O2 -","- C17 H16 Mo O2 -","- C68 H64 Mo4 O8 -","4","1","GD1047","Alexander Kuhl; Farrugia, Louis J.; Philip J. Kocieński","Absolute configuration of <i>exo</i>-<i>syn</i>-<i>syn</i>-dicarbonyl(η^5^-cyclopentadienyl)[(1,2,3-η)-(1<i>R</i>,2<i>S</i>,3<i>S</i>)-1-phenylbut-2-en-1-yl]molybdenum(II)","Acta Crystallographica Section C","1999","55","12","2041","2043","10.1107/S0108270199010197","","","0.71073","MoKα","","","0.026","","","","0.07","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009270","5.021","0.0002","11.3959","0.0006","11.9972","0.0006","90","","97.323","0.005","90","","680.87","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridinium diperchlorate","","- C10 H10 Cl2 N2 O8 -","- C10 H10 Cl2 N2 O8 -","- C20 H20 Cl4 N4 O16 -","2","0.5","GD1048","Ng, Seik Weng","4,4'-Bipyridinium diperchlorate","Acta Crystallographica Section C","1999","55","12","2105","2107","10.1107/S0108270199012196","","","0.71073","MoKα","","0.0638","0.0512","","","","0.1363","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009271","9.8336","0.0001","16.711","0.0003","9.8352","0.0001","90","","104.223","0.001","90","","1566.67","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium trifluoroacetate","","- C14 H24 F3 N O2 -","- C14 H24 F3 N O2 -","- C56 H96 F12 N4 O8 -","4","1","GD1050","Ng, Seik Weng; Hoong-Kun Fun; S. Shanmuga Sundara Raj","Dicyclohexylammonium trifluoroacetate","Acta Crystallographica Section C","1999","55","12","2145","2147","10.1107/S0108270199010999","","","0.71073","MoKα","","0.0621","0.0473","","","","0.1516","","","","","","1.064","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009272","11.3483","0.0015","8.9413","0.001","14.705","0.003","90","","104.586","0.013","90","","1444","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-hydroxyphenyl)propanoic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","GD1055","Gallagher, John F.; Murphy, Carol","C—H···π~arene~, C<i>sp</i>^3^—H···O=C and O—H···O intermolecular interactions in (2<i>R</i>/2<i>S</i>)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2<i>H</i>-isoindol-2-yl)propanoic acid: a <i>meta</i>-tyrosine derivative","Acta Crystallographica Section C","1999","55","12","2167","2169","10.1107/S0108270199010884","","","0.7107","MolybdenumKα","","0.1071","0.0406","","","","0.0847","","","","","","0.941","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009273","8.3898","0.001","8.7094","0.0009","13.8304","0.0017","89.695","0.009","79.108","0.006","62.568","0.009","876.92","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(1-methylimidazole)octacyanotetracadmium(II)","","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","1","0.5","GD1056","Yun, Sock-Sung; Kim, Young-Pill; Kim, Chong-Hyeak","A three-dimensional framework formed from cadmium(II) cyanide and 1-methylimidazole","Acta Crystallographica Section C","1999","55","12","2026","2028","10.1107/S0108270199011336","","","0.71073","MoKα","","0.028","0.027","","","","0.077","","","","","","1.174","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009274","13.788","0.002","7.3827","0.0012","14.0672","0.0017","90","","105.66","0.02","90","","1378.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt-salen","N,N'-Ethylene-bis-salicylaldimine-Platin(II)","","- C16 H14 N2 O2 Pt -","- C16 H14 N2 O2 Pt -","- C64 H56 N8 O8 Pt4 -","4","1","GS1038","Sawodny, Wolfgang; Thewalt, Ulf; Potthoff, Edith; Ohl, Reinhard","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediaminato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']platinum(II)","Acta Crystallographica Section C","1999","55","12","2060","2061","10.1107/S0108270199010690","","","0.71069","MoKα","","0.0324","0.0272","","","","0.0684","","","","","","1.051","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009275","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3517","1","293","","293","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André","A coordination compound of (-)-ephedrine and palladium(II)","Acta Crystallographica Section C","1999","55","","2028","2030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009276","12.949","0.004","13.031","0.008","13.97","0.01","66.08","0.07","85.89","0.05","69.08","0.03","2005","2","293","2","","","","","","","","","","5","P -1","-P 1","2","","Bis[(μ-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate.","","- C43 H36 Cu2 N4 O12 -","- C43 H36 Cu2 N4 O12 -","- C86 H72 Cu4 N8 O24 -","2","1","GS1051","Lemoine, Pascale; Nguyen-Huy, Dung; Viossat, Bernard; Léger, Jean-Michel; Tomas, Alain","Bis[(μ-<i>O</i>,<i>O</i>'-salicylato)(2,2'-bipyridyl)copper(II)] acetylsalicylic acid dihydrate","Acta Crystallographica Section C","1999","55","12","2068","2070","10.1107/S0108270199012068","","","1.5418","CuKα","","0.0536","0.0342","","0.0944","0.0839","","","","1.037","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009277","20.521","0.003","20.521","0.003","6.1384","0.0007","90","","90","","90","","2585","0.6","180","2","180","2","","","","","","","","4","I 4","I 4","79","","(2S,4S)-(hydroxymethyl)-2-dioxane-1,3]-ferrocene","","- C15 H18 Fe O3 -","- C15 H18 Fe O3 -","- C120 H144 Fe8 O24 -","8","1","GS1052","Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine","[(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene","Acta Crystallographica Section C","1999","55","12","2045","2047","10.1107/S010827019901207X","","","0.71073","MoKα","","0.0268","0.024","","","","0.0663","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009278","14.157","0.0002","12.9188","0.0002","7.2671","0.0001","90","","104.776","0.001","90","","1285.14","0.03","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[2-(2'-Pyridyl-N)quinoxaline-N~1~,N~4~]silver (I) nitrate","","- C13 H9 Ag N4 O3 -","- C13 H9 Ag N4 O3 -","- C52 H36 Ag4 N16 O12 -","4","1","HA1261","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","[2-(2-Pyridyl-<i>N</i>)quinoxaline-<i>N</i>^1^]silver(I) nitrate","Acta Crystallographica Section C","1999","55","12","2035","2037","10.1107/S0108270199010938","","","0.71073","MoKα","","0.0365","0.0317","","","","0.0776","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009279","9.009","0.002","6.756","0.002","21.276","0.009","90","","91.76","0.01","90","","1294.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Carbonato-O,O')bis(propane-1,3-diyldiamine-N,N')cobalt(III) chloride monohydrate","","- C7 H22 Cl Co N4 O4 -","- C7 H22 Cl Co N4 O4 -","- C28 H88 Cl4 Co4 N16 O16 -","4","1","HA1264","Zhu, Hai-Liang; Chen, Xiao-Ming","(Carbonato-<i>O</i>,<i>O</i>')bis(propane-1,3-diyldiamine-<i>N</i>,<i>N</i>')cobalt(III) chloride monohydrate","Acta Crystallographica Section C","1999","55","12","2010","2012","10.1107/S0108270199010525","","","0.71073","MoKα","","0.058","0.043","","","","0.115","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009280","8.732","0.0001","21.716","0.0003","11.246","0.0002","90","","90","","90","","2132.51","0.05","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Disodium bis(μ-2-oxo-2-methylpropanoate dioxovanadium(V) heptahydrate","","- C8 H26 Na2 O17 V2 -","- C8 H12 Na2 O17 V2 -","- C32 H48 Na8 O68 V8 -","4","0.5","HA1265","Bourne, Susan A.; Cruywagen, J.J.; Kleinhorst, Angela","Disodium bis[μ-2-hydroxy-2-methylpropanoato(2 ‒)]-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^;<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^-bis[dioxovanadate(V)] heptahydrate","Acta Crystallographica Section C","1999","55","12","2002","2004","10.1107/S010827019901094X","","","0.7107","MoKα","","0.0453","0.0358","","","","0.1211","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009281","8.8253","0.0007","11.5326","0.0009","14.3441","0.0011","69.839","0.001","77.083","0.001","87.933","0.001","1334.45","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H45 Cl I N4 O0.5 -","- C21.5 H42 Cl I N4 -","- C43 H84 Cl2 I2 N8 -","2","1","HA1266","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","A cyclam-like macrocycle side-bridged by a propyl chain","Acta Crystallographica Section C","1999","55","12","2188","2190","10.1107/S0108270199011038","","","0.71073","MoKα","","0.0765","0.049","","","","0.1339","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009282","7.658","0.001","25.364","0.004","11.5","0.002","90","","95.17","0.01","90","","2224.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(2-ethyl-3-Hydroxy-pyranonato)diiodotin(IV) acetonitrile","","- C16 H17 I2 N O6 Sn -","- C16 H17 I2 N O6 Sn -","- C64 H68 I8 N4 O24 Sn4 -","4","1","HA1269","Lu, Zaisheng; Burgess, John; Fawcett, John; Russell, David R.","Bis(2-ethyl-3-hydroxy-4-pyranonato)diiodotin(IV) acetonitrile solvate","Acta Crystallographica Section C","1999","55","12","2051","2053","10.1107/S0108270199011683","","","0.71073","MoKα","","0.077","0.044","","","","0.098","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009283","9.714","0.002","16.742","0.002","16.54","0.002","90","","90","","90","","2689.9","0.7","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyltelluro-N-phenylbenzamide","","- C14 H13 N O Te -","- C14 H13 N O Te -","- C112 H104 N8 O8 Te8 -","8","1","JA1000","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","2-Methyltelluro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1999","55","12","2100","2102","10.1107/S010827019901118X","","","0.71073","MoKα","","0.036","0.027","","","","0.074","","","","","","1.031","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009284","12.4702","0.0002","15.8641","0.0003","16.9102","0.0003","90","","109.033","0.001","90","","3162.43","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H98 Mo2 N2 O8 S2 -","- C52 H98 Mo2 N2 O8 S2 -","- C104 H196 Mo4 N4 O16 S4 -","2","0.5","JA1002","Wei, Qiang; Zhuang, Botao; Chen, Jiutong","A long-chain alkyl-tethered Mo~2~S~2~ core, [Bu~4~N]~2~[Mo~2~(CO)~8~(<i>n</i>-C~6~H~13~ S)~2~]","Acta Crystallographica Section C","1999","55","12","2047","2049","10.1107/S0108270199011191","","","0.71073","MoKα","","0.0624","0.044","","0.1144","","0.1053","","","1.092","","","1.143","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009285","9.496","0.001","10.662","0.0008","12.966","0.002","71.481","0.008","75.78","0.01","66.16","0.01","1128.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-croconato-bis{μ-[N,N'-bis(3-amino-2,2-dimethylpropyl)oxamidato(2-) -N,O':N',O]-dicopper(II)} tetrahydrate","","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","1","0.5","JZ1319","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio Costantino","A tetracopper(II) complex containing two μ-oxamidato-dicopper(II) units linked by croconate anions","Acta Crystallographica Section C","1999","55","12","2043","2045","10.1107/S0108270198014504","","","0.71073","MoKα","","0.052","0.032","","0.093","","0.087","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009286","6.056","0.001","26.822","0.003","7.713","0.001","90","","106.61","0.01","90","","1200.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-benzoyl-2-methyl-1,3-dithiane","(2-methyl-1,3-dithian-2-yl)phenylmethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C48 H56 O4 S8 -","4","1","JZ1341","Stahl, Ingfried; Schomberg, Iris; Frenzen, Gerlinde","2-Benzoyl-2-methyl-1,3-dithiane","Acta Crystallographica Section C","1999","55","12","2179","2182","10.1107/S010827019901135X","","","0.71073","MoKα","","0.0698","0.0384","","","","0.079","","","","","","0.999","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009287","16.8265","0.0013","15.7626","0.0013","7.2886","0.0005","90","","90","","90","","1933.2","0.3","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","Cu NH3 Ni(CN)4, 23611","decaammine-5k^3^N,6k^2^N,7k^2^N,8k^3^N-octa-m-cyano-1:5k^2^C:N;1:6k^2^C:N; 2:6k^2^C:N;2:7k^2^C:N;3:6k^2^C:N;3:7k^2^C:N;4:7k^2^C:N;4:8k^2^C:N-octacyano- 1k^2^C,2k^2^C,3k^2^C,4k^2^C-tetracopper(II)tetranickel(II)","","- C16 H36 Cu4 N28 Ni4 -","- C16 H36 Cu4 N28 Ni4 -","- C32 H72 Cu8 N56 Ni8 -","2","0.25","JZ1356","Janiak, Christoph; Wu, He-Ping; Klüfers, Peter; Mayer, Peter","A molecular tetraamminecopper(II)-<i>trans</i>-diamminecopper(II) tetracyanonickelate(II) coordination compound","Acta Crystallographica Section C","1999","55","12","1966","1969","10.1107/S0108270199010859","","","0.71073","MoKα","","0.061","0.033","","","","0.073","","","","","","0.854","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009288","29.143","0.004","7.456","0.002","14.855","0.002","90","","116.33","0.02","90","","2893","1.1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olide","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","JZ1358","Gzella, Andrzej","Triterpenoide. XVII. 3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olid","Acta Crystallographica Section C","1999","55","12","2151","2153","10.1107/S0108270199009178","","","1.54178","CuKα","","0.04","0.033","","","","0.095","","","","","","1.038","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009289","13.8993","0.0007","8.2374","0.0004","12.0633","0.0006","90","","105.843","0.001","90","","1328.71","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2‒Tosylaminobenzaldehyde","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","JZ1360","Mahía, José; Maestro, Miguel; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","2-Tosylaminobenzaldehyde","Acta Crystallographica Section C","1999","55","12","2158","2160","10.1107/S0108270199011580","","","0.71073","MoKα","","0.0609","0.0417","","","","0.1134","","","","","","1.015","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009290","11.3083","0.0012","13.595","0.0012","17.971","0.0014","90","","90","","90","","2762.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.038","0.031","","","","0.09","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009291","6.8765","0.0012","13.607","0.0014","29.118","0.003","90","","90","","90","","2724.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.048","0.037","","","","0.111","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009292","7.393","0.001","7.736","0.001","8.679","0.001","91.01","0.01","105.43","0.01","109.98","0.01","446.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","EtOOH","4,6-Diethoxy-1,3,5-triazin-2(1H)-one","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C14 H22 N6 O6 -","2","1","JZ1365","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","4,6-Diethoxy-1,3,5-triazin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","2109","2111","10.1107/S010827019901149X","","","0.71073","MoKα","","0.0555","0.0379","","","","0.092","","","","","","0.901","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009293","8.178","0.002","10.674","0.003","12.992","0.003","75.79","0.01","75.94","0.01","88.62","0.01","1065.7","0.5","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","η^5^-pentamethylcyclopentadienyl-η^4^-(2-methylbuta-1,3-diene)-acetonitrile- ruthenium(II) trifluoromethanesulfonate","","- C18 H26 F3 N O3 Ru S -","- C18 H26 F3 N O3 Ru S -","- C36 H52 F6 N2 O6 Ru2 S2 -","2","1","KA1309","Gemel, Christian; Kirchner, Karl; Schmid, Roland; Mereiter, Kurt","(Acetonitrile-<i>N</i>)(η^4^-2-methylbuta-1,3-diene)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","12","2053","2055","10.1107/S0108270199012342","","","0.71073","MoKα","","0.035","0.03","","","","0.077","","","","","","1.062","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009294","8.338","0.001","8.973","0.001","14.393","0.002","80.337","0.014","84.339","0.014","63.179","0.013","947","0.2","100","2","","","","","","","","","","3","P -1","-P 1","2","Decabromodiphenylether","Decabromodiphenylether","","- C12 Br10 O -","- C12 Br10 O -","- C24 Br20 O2 -","2","1","KA1314","Eriksson, Johan; Eriksson, Lars; Jakobsson, Eva","Decabromodiphenyl ether","Acta Crystallographica Section C","1999","55","12","2169","2171","10.1107/S0108270199008884","","","0.7107","MoKα","","0.0455","0.0323","","0.045","","0.0443","","","1.667","","","1.844","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009295","7.3308","0.0012","12.733","0.003","37.471","0.007","90","","90","","90","","3497.7","1.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8,10a-tetramethyl- 1,2-phenanthrenedicarboxaldehyde","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","KA1332","Puliti, Raffaella; Mattia, Carlo Andrea","<i>ent</i>-Isocopal-12-ene-15,16-dialdehyde from <i>Spongia officinalis</i>","Acta Crystallographica Section C","1999","55","12","2160","2163","10.1107/S0108270199011233","","","1.54056","CuKα","","0.0614","0.0436","","","","0.0494","","","","","","0.918","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009296","5.865","0.002","14.179","0.003","19.487","0.003","90","","94.33","0.04","90","","1615.9","0.7","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl3 N O2 -","- C16 H12 Cl3 N O2 -","- C64 H48 Cl12 N4 O8 -","4","1","KA1334","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1-(<i>p</i>-chlorophenyl)-4-(<i>p</i>-methoxyphenyl)-2-azetidinone","Acta Crystallographica Section C","1999","55","12","2115","2117","10.1107/S0108270199012093","","","0.7107","MoKα","","0.121","0.065","","","","0.206","","","","","","1.227","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009297","21.644","0.009","5.398","0.002","16.765","0.005","90","","101.97","0.02","90","","1916.1","1.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","0.5","KA1337","Handrosch, Carsten; Heinemann, Frank W.; Kisch, Horst","<i>rac</i>-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","Acta Crystallographica Section C","1999","55","12","2184","2186","10.1107/S0108270199011919","","","0.71073","MoKα","","0.131","0.067","","","","0.191","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009298","8.4311","0.0012","14.505","0.002","15.609","0.003","73.317","0.01","85.702","0.018","89.375","0.01","1823.3","0.5","158","2","158","2","","","","","","","","3","P -1","-P 1","2","","rac-(3R,5S)-5-(1-cyclopropyl-1-methyl-ethyl)-3,5-diphenyl-dihydrofuran-2-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","2","KA1338","Bats, Jan W.; Hoyer, Karsten; Mulzer, Johann","<i>rac</i>-(3<i>R</i>,5<i>S</i>)-5-(1-Cyclopropyl-1-methylethyl)-3,5-diphenyl-2,3,4,5-tetrahydrofuran-2-one, a triclinic structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","12","2124","2126","10.1107/S0108270199010161","","","0.71073","MoKα","","0.151","0.097","","","","0.147","","","","","","1.708","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009299","7.804","0.004","5.765","0.002","14.164","0.009","90","","102.37","0.01","90","","622.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(imidazole)bis(thiocyanato)cadmium(II)]","","- C8 H8 Cd N6 S2 -","- C8 H8 Cd N6 S2 -","- C16 H16 Cd2 N12 S4 -","2","0.5","OB1018","Chen, Hong-Ji; Yang, Guang; Chen, Xiao-Ming","<i>catena</i>-Poly[[bis(imidazole-<i>N</i>^3^)cadmium(II)]-bis(μ-thiocyanato)-<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","1999","55","12","2012","2014","10.1107/S0108270199011075","","","0.71073","MoKα","","0.027","0.023","","","","0.059","","","","","","1.114","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009300","8.9483","0.0014","27.469","0.005","9.111","0.002","90","","90","","90","","2239.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole/ethyl acetate(3:1)","","- C24.33 H21.67 N3 O4.67 -","- C24.32 H19 N3 O4.66 -","- C97.28 H76 N12 O18.64 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.189","0.077","","0.256","","0.182","","","1.192","","","1.403","","","warnings","has coordinates,has disorder","249443","2020-10-21","18:00:00",""
"2009301","8.896","0.001","26.771","0.005","9.209","0.002","90","","90","","90","","2193.2","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C92 H76 N12 O16 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.225","0.065","","0.213","","0.142","","","0.95","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009302","6.7367","0.0005","13.6547","0.0005","14.2727","0.0004","90","","93.392","0.005","90","","1310.61","0.11","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dicarbomethoxy-1,2-butadienylirontricarbonyl","","- C11 H10 Fe O7 -","- C11 H10 Fe O7 -","- C44 H40 Fe4 O28 -","4","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0492","0.0385","","","","0.1226","","","","","","0.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009303","7.6839","0.0004","8.7128","0.0009","14.049","0.001","105.614","0.008","97.418","0.005","102.04","0.006","868.62","0.13","295","2","","","","","","","","","","4","P -1","-P 1","2","","2,3-dicarbomethoxy-1,2-butadienyl-bis-irontricarbonyl","","- C14 H10 Fe2 O10 -","- C14 H10 Fe2 O10 -","- C28 H20 Fe4 O20 -","2","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0435","0.0366","","","","0.1126","","","","","","0.883","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009304","12.653","0.003","8.0849","0.0006","5.5247","0.0009","90","","95.408","0.008","90","","562.65","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","OB1021","Inouye, Yoshinobu; Ishimura, Tomoyuki","Methyl (<i>R</i>,<i>Z</i>)-(1-phenylethylimino)acetate <i>N</i>-oxide","Acta Crystallographica Section C","1999","55","12","2087","2088","10.1107/S0108270199011506","","","0.71073","MoKα","","0.093","0.054","","0.268","","0.188","","","0.917","","","0.801","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009305","9.5728","0.0003","16.3086","0.0006","9.0007","0.0003","90","","112.114","0.003","90","","1301.81","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-O,O':O':O'',O''':O''')] dichloride hydrate]","","- C4 H16 Cl2 N O9 Pr -","- C4 H16 Cl2 N O9 Pr -","- C16 H64 Cl8 N4 O36 Pr4 -","4","1","OS1068","Li, Jun-Ran; Wang, Zhe-Ming; Yan, Chun-Hua; Zhou, Li-Ping; Jin, Tian-Zhu","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>''')] dichloride hydrate]","Acta Crystallographica Section C","1999","55","12","2073","2075","10.1107/S0108270199011658","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009306","22.294","0.002","22.294","0.002","22.294","0.002","90","","90","","90","","11080.6","1.7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","rubidium tetracontaoxo(hydro)(dodecamolybdo)vanadate tetradecahydrate","","- H29.89 Mo12 O54.95 Rb4.361 V0.616 -","- Mo12 O54.96 Rb4.362 V0.62 -","- Mo96 O439.68 Rb34.896 V4.96 -","8","0.0416667","OS1070","Pay Gómez, Cesar; Eriksson, Lars","Heteropoly blue Rb~4.4~[H~0.6~V~0.6~Mo~12~O~40~]","Acta Crystallographica Section C","1999","55","12","1974","1976","10.1107/S0108270199011208","","","0.71073","MoKα","","0.065","0.054","","","","0.186","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009307","5.4835","0.0004","12.3418","0.0008","29.4245","0.0019","90","","90","","90","","1991.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-L-phenylalanine‒2-propanol solvate (1/2)","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C72 H128 N8 O20 -","4","1","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.113","0.076","","","","0.203","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009308","9.8958","0.0002","22.3517","0.0006","16.4571","0.0003","90","","90.023","0.001","90","","3640.11","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C17 H28 N2 O4 -","- C17 H28 N2 O4 -","- C136 H224 N16 O32 -","8","4","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71069","MoKα","","0.158","0.08","","","","0.139","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009309","10.0858","0.0002","16.3754","0.0002","11.7987","0.0002","90","","91.698","0.001","90","","1947.81","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C18 H30 N2 O4 -","- C18 H30.102 N2 O4.051 -","- C72 H120.408 N8 O16.204 -","4","2","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.153","0.079","","","","0.169","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009310","10.586","0.002","11.925","0.002","7.803","0.002","90","","105.64","0.03","90","","948.6","0.4","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diaqua{hydrogen bis[1-(pyridin-2-yl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate.","","- C14 H21 Cl N4 Ni O9 -","- C14 H21 Cl N4 Ni O9 -","- C28 H42 Cl2 N8 Ni2 O18 -","2","0.5","OS1079","Pajunen, Aarne; Orama, Marjatta; Saarinen, Heikki","Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-<i>N</i>,<i>N</i>']}nickel(II) perchlorate hydrate","Acta Crystallographica Section C","1999","55","12","2075","2077","10.1107/S010827019901166X","","","0.71073","MoKα","","0.03","0.03","","","","0.084","","","","","","1.115","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009311","7.002","0.002","18.442","0.005","11.443","0.002","90","","102.72","0.02","90","","1441.4","0.6","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]- imidazo[1,2-a][1,3]benzimidazol-2(12H)-one","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","QA0184","Moses Babu, J.; Vyas, K.; Prabhakar, C.; Sreenivas Rao, D.; Om Reddy, G.","An omeprazole impurity","Acta Crystallographica Section C","1999","55","12","IUC9900162","","10.1107/S0108270199098194","","","1.5418","CuKα","","0.074","0.059","","0.104","","0.094","","","1.927","","","1.967","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009312","12.186","0.001","8.7763","0.0009","20.4128","0.0009","90","","104.593","0.004","90","","2112.7","0.3","298.2","","298.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-Acetyloxy-3,5,6-trimethyl-1-[4-nitrobenzoyl]oxy-2-yl]butan-2-one","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","QA0185","Prabhakar, C.; Vyas, K.; Moses Babu, J.; Sarma, M. R.; Om Reddy, G.","4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate","Acta Crystallographica Section C","1999","55","12","IUC9900160","","10.1107/S0108270199098212","","","1.5418","CuKα","","0.0619","0.0482","","0.0836","","0.0797","","","1.799","","","1.931","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009313","10.136","0.005","16.778","0.006","5.066","0.006","97.62","0.07","100.65","0.06","95.95","0.04","831.9","1.1","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","Celecoxib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","QA0186","Vasu Dev, R.; Shashi Rekha, K.; Vyas, K.; Mohanti, S. B.; Rajender Kumar, P.; Om Reddy, G.","Celecoxib, a COX-II inhibitor","Acta Crystallographica Section C","1999","55","12","","","10.1107/S0108270199098200","","","1.5418","CuKα","","0.115","0.088","","0.096","","0.092","","","1.746","","","1.881","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009314","7.7633","0.0008","22.049","0.002","13.0223","0.0019","90","","90","","90","","2229.1","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine","","- C19 H22 N4 O10 -","- C19 H22 N4 O10 -","- C76 H88 N16 O40 -","4","1","QA0188","Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo","7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione","Acta Crystallographica Section C","1999","55","12","IUC9900163","","10.1107/S0108270199098297","","","0.71073","MoKα","","0.122","0.06","","","","0.117","","","","","","0.939","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009315","14.3951","0.0011","8.9771","0.0009","19.052","0.002","90","","90","","90","","2462","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent","","- C19 H28 N4 O12 -","- C19 H28 N4 O12 -","- C76 H112 N16 O48 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.088","0.054","","","","0.148","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009316","9.0315","0.0008","17.0918","0.0013","18.1487","0.0013","90","","90","","90","","2801.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine","","- C23 H30 N4 O13 -","- C23 H30 N4 O13 -","- C92 H120 N16 O52 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.074","0.039","","","","0.099","","","","","","0.986","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009317","10.055","0.002","10.405","0.002","12.138","0.002","100.89","0.03","98.99","0.03","96.72","0.03","1217.6","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Piperidinium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione","","- C10 H17 N5 O3 -","- C10 H17 N5 O3 -","- C40 H68 N20 O12 -","4","2","QB0126","Low, John Nicolson; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo","Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide","Acta Crystallographica Section C","1999","55","12","IUC9900153","","10.1107/S0108270199098303","","","0.71073","MoKα","","0.103","0.051","","","","0.135","","","","","","0.988","","","","has coordinates,has Fobs","198282","2020-10-21","18:00:00",""
"2009318","4.9241","0.0014","4.9241","","23.875","0.004","90","","90","","120","","501.33","0.17","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Mg2 Ni9 -","- La Mg2 Ni9 -","- La3 Mg6 Ni27 -","3","0.0833333","QB0128","Kadir, Karim; Yamamoto, Hitoshi; Sakai, Tetsuo; Uehara, Itsuki; Kanehisa, Noduko; Kai, Yasushi; Eriksson, Lars","LaMg~2~Ni~9~, an example of the new <i>AB</i>~2~<i>C</i>~9~ structure type","Acta Crystallographica Section C","1999","55","12","IUC9900152","","10.1107/S0108270199098418","","","0.71069","MoKα","","0.051","0.049","","","","0.145","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009319","19.477","0.004","17.178","0.003","15.262","0.003","90","","107.23","0.03","90","","4877.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O,O-two(β-trinitrideethyl)-α-p-toluenesulfonamido-α-m- nitrobenzalphospite","","- C18 H21 N8 O7 P S -","- C18 H21 N8 O7 P S -","- C144 H168 N64 O56 P8 S8 -","8","2","QB0129","Zhang, Jin-nan; Ye, Ling; Xi, Hong-wei; Li, Qi","Bis(2-azidoethyl) [(3-methylphenyl)(<i>p</i>-toluenesulfonamido)methyl]phosphonate","Acta Crystallographica Section C","1999","55","12","IUC9900157","","10.1107/S0108270199098224","","","0.71073","MoKα","","0.106","0.061","","0.232","0.161","","","","1.043","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009320","10.0695","0.0008","8.2112","0.0006","29.701","0.003","90","","90","","90","","2455.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Phenylferrocene","Phenylferrocene","","- C16 H14 Fe -","- C16 H14 Fe -","- C128 H112 Fe8 -","8","1","QB0130","Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.","Phenylferrocene","Acta Crystallographica Section C","1999","55","12","IUC9900154","","10.1107/S0108270199098406","","","0.71073","MoKα","","0.104","0.04","","","","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009321","6.728","0.0008","6.728","0.0019","6.728","0.0013","90","","90","","90","","304.55","0.11","293","2","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B H4 K -","- B H4 K -","- B4 H16 K4 -","4","0.0208333","QB0131","Luck, Rudy L.; Schelter, Eric J.","Potassium borohydride","Acta Crystallographica Section C","1999","55","12","IUC9900151","","10.1107/S010827019909842X","","","0.71073","MoKα","","","0.005","","","","0.011","","","","","","1.239","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009322","9.139","0.001","13.522","0.002","17.737","0.002","90","","90","","90","","2191.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(methylcyclopentadienyl)(piperidino-N)ytterbium piperidinate","","- C22 H35 N2 Yb -","- C22 H35 N2 Yb -","- C88 H140 N8 Yb4 -","4","1","QB0132","Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei","Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium","Acta Crystallographica Section C","1999","55","12","IUC9900159","","10.1107/S0108270199098376","","","0.71073","MoKα","","0.029","0.024","","","","0.055","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009323","10.4027","0.0002","11.5682","0.0002","14.9296","0.0003","77.0833","0.0013","72.0218","0.0012","85.2316","0.0011","1665.48","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Dimethyl-2-(6-benzyloxy-2-methylthio-4-pyrimidinyl)imino-3-(triphenyl- λ^5^-phosphanylidene)succinate","","- C36 H32 N3 O5 P S -","- C36 H32 N3 O5 P S -","- C72 H64 N6 O10 P2 S2 -","2","1","QB0133","Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Low, John Nicolson","Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-λ^5^-phosphanylidene)succinate","Acta Crystallographica Section C","1999","55","12","IUC9900150","","10.1107/S0108270199098315","","","0.71073","MoKα","","0.065","0.042","","","","0.128","","","","","","1.077","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009324","33.1828","0.0016","6.3349","0.0007","5.5592","0.0008","90","","92.406","0.007","90","","1167.6","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Alanyl-L-leucine hemihydrate","","- C9 H19 N2 O3.5 -","- C9 H19 N2 O3.5 -","- C36 H76 N8 O14 -","4","1","QB0134","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate","Acta Crystallographica Section C","1999","55","12","IUC9900149","","10.1107/S0108270199098327","","","0.71073","MoKα","","0.0798","0.0752","","","","0.1978","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009325","11.2104","0.0002","11.009","0.0002","30.5831","0.0006","90","","93.44","0.001","90","","3767.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diazidobis(4,4'-di-tert-butyl-2,2'-bipyridine-N,N')manganese(II)","","- C36 H48 Mn N10 -","- C36 H48 Mn N10 -","- C144 H192 Mn4 N40 -","4","1","QB0135","Shen, Zhen; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zuo, Jing-lin; You, Xiao-Zeng","Diazidobis(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","12","IUC9900167","","10.1107/S0108270199098352","","","0.71073","MoKα","","0.103","0.058","","","","0.155","","","","","","0.939","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009326","7.8759","0.0002","13.4002","0.0003","7.2779","0.0001","90","","110.632","0.001","90","","718.84","0.03","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C24 H32 Cl4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.0344","0.031","","0.083","0.0809","0.083","","","1.112","","","1.112","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009327","7.396","0.001","15.277","0.003","12.336","0.002","90","","91.23","0.02","90","","1393.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C48 H64 Cl8 N8 -","8","2","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.185","0.087","","","","0.151","","","","","","1.055","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009328","12.973","0.002","6.491","0.001","8.327","0.001","90","","90","","90","","701.2","0.17","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N -","- C6 H8 Br N -","- C24 H32 Br4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.03","0.026","","","","0.058","","","","","","1.171","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009329","12.639","0.006","13.674","0.006","16.599","0.006","109.19","0.02","101.56","0.02","91.71","0.02","2640","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octabutyl 1-κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C- tetrakis[μ-(2,3-diphenylquinoxalinyl-8-carboxylato)]- 1:2κ^2^O,O';2:3κ^2^O;3:4κ^2^O,O';1:4κ^2^O- bis-μ~3~-oxo-1:2:3κ^3^O-tetratin","","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","1","0.5","QB0138","Lo, Kong Mun; Ng, Seik Weng","Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]","Acta Crystallographica Section C","1999","55","12","IUC9900155","","10.1107/S010827019909839X","","","0.71073","MoKα","","0.139","0.07","","","","0.172","","","","","","1.01","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009330","22.474","0.006","7.36","0.001","18.283","0.005","90","","122.85","0.01","90","","2540.6","1.1","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C96 H64 Cu8 N32 O32 -","8","1","QB0139","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900158","","10.1107/S0108270199098388","","","0.71073","MoKα","","","0.034","","","","0.051","","","","","","1.87","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009331","12.4124","0.0005","13.8275","0.0004","14.3744","0.0006","91.747","0.002","106.638","0.0017","99.61","0.002","2322.64","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-5-cyano-3-(4-methylphenyl)-6-diphenyl-4,7-dihydro-2H-pyrazolo [3,4-b]pyridine:dimethylformamide (2/1)","","- C55 H45 Cl2 N9 O -","- C55 H45 Cl2 N9 O -","- C110 H90 Cl4 N18 O2 -","2","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.062","","","","0.162","","","","","","0.934","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009332","15.6264","0.0003","12.4397","0.0002","21.1296","0.0004","90","","91.4371","0.0009","90","","4106.04","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C208 H160 N32 O8 -","8","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.0561","0.0477","","","","0.1288","","","","","","1.057","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009333","6.6222","0.0005","11.0791","0.001","28.264","0.002","90","","96.248","0.005","90","","2061.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis(4-chlorophenyl)-5-cyano-6-phenyl-1H-pyrazolo-[3,4-b]pyridine","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C100 H56 Cl8 N16 -","4","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.0576","","","","0.115","","","","","","0.935","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009334","15.758","0.003","15.306","0.002","14.496","0.002","90","","90","","90","","3496.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C72 H192 Cl16 Cu8 N32 O64 -","8","1","QB0141","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica Section C","1999","55","12","IUC9900172","","10.1107/S0108270199098339","","","0.71073","MoKα","","0.165","0.058","","","","0.164","","","","","","0.955","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009335","9.266","0.001","9.664","0.001","16.649","0.001","90","","98.47","0.01","90","","1474.6","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","QB0143","Jerdioui, Badia; Zenkouar, Mohammed; El-Bali, Brahim; Bolte, Michael","<i>trans</i>-Bis(4-quinolyl)ethylene","Acta Crystallographica Section C","1999","55","12","IUC9900169","","10.1107/S0108270199098248","","","0.71073","MoKα","","0.0554","0.0386","","","","0.1046","","","","","","1.007","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009336","8.856","0.001","9.349","0.001","19.778","0.001","90","","90","","90","","1637.5","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-but-3-en-2-one","","- C10 H10 O -","- C10 H10 O -","- C80 H80 O8 -","8","1","QB0145","Degen, Alexander; Bolte, Michael","4-Phenylbut-3-en-2-one (benzalacetone)","Acta Crystallographica Section C","1999","55","12","IUC9900170","","10.1107/S0108270199098236","","","0.71073","MoKα","","0.0496","0.0411","","","","0.1218","","","","","","1.108","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009337","20.1188","0.0002","30.5945","0.0004","14.5526","0.0002","90","","107.048","0.001","90","","8563.89","0.19","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","/m-Oxo-/m-chloro-acetato-bis(dichlorotriphenylphosphinerhenium) chlorofrom solvate","","- C39 H34 Cl8 O3 P2 Re2 -","- C39 H34 Cl8 O3 P2 Re2 -","- C312 H272 Cl64 O24 P16 Re16 -","8","2","QB0147","Powell, Clem; Burrell, Anthony K.","μ-Acetato-μ-chloro-μ-oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate","Acta Crystallographica Section C","1999","55","12","IUC9900171","","10.1107/S0108270199098340","","","0.71073","MoKα","","0.052","0.037","","","","0.091","","","","","","1.199","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009338","11.333","0.002","16.949","0.003","13.344","0.002","90","","108.17","0.01","90","","2435.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O4 -","- C30 H23 N3 O4 -","- C120 H92 N12 O16 -","4","1","QB0148","Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael","3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","IUC9900165","","10.1107/S010827019909825X","","","0.71073","MoKα","","0.093","0.052","","","","0.125","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009339","13.919","0.004","9.211","0.004","14.856","0.004","90","","107.7","0.02","90","","1814.5","1.1","296.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[1,3-dithiol-4,5-(3,4,5,6-tetramethylthio)-benzo-2-ylidnene, dichloro-Copper(II)]","","- C11 H12 Cl2 Cu S7 -","- C11 H12 Cl2 Cu S7 -","- C44 H48 Cl8 Cu4 S28 -","4","1","QB0149","Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu","Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900166","","10.1107/S0108270199098364","","","0.7107","MoKα","","","0.05","","","","0.1281","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009340","9.069","0.005","19.378","0.006","16.964","0.007","90","","105.15","0.05","90","","2878","2","301","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H30 Cl2 N4 Ni O2 Zn -","- C29 H30 Cl2 N4 Ni O2 Zn -","- C116 H120 Cl8 N16 Ni4 O8 Zn4 -","4","1","SK1264","Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","12","2023","2026","10.1107/S0108270199010707","","","0.71073","MoKα","","","0.029","","","0.076","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009341","4.7651","0.0006","9.3404","0.0015","37.066","0.006","90","","90","","90","","1649.7","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Zinc heptanoate","Anhydrous Zinc(II) Heptanoate","","- C14 H26 O4 Zn -","- C14 H26 O4 Zn -","- C56 H104 O16 Zn4 -","4","1","SK1286","Jerôme Peultier; Michel Francois; Jean Steinmetz","Anhydrous polymeric zinc(II) heptanoate","Acta Crystallographica Section C","1999","55","12","2064","2065","10.1107/S0108270199008483","","","1.5418","CuKα","","0.112","0.055","","","","0.159","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009342","10.336","0.004","11.65","0.004","5.846","0.003","97.45","0.04","96.11","0.04","83.5","0.03","690.5","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","2-chloro-4-benzoyl-6-phenyl pyrimidine","","- C17 H11 Cl N2 O -","- C17 H11 Cl N2 O -","- C34 H22 Cl2 N4 O2 -","2","1","SK1294","Mukherjee, Monika; Maiti, Susim; Khan, M. Wahab; Helliwell, Madeleine; Kundu, Nitya G.","4-Benzoyl-2-chloro-6-phenylpyrimidine","Acta Crystallographica Section C","1999","55","12","2186","2188","10.1107/S0108270199011865","","","0.71071","MoKα","","0.07","0.049","","0.134","","0.123","","","1.056","","","1.109","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009343","7.869","0.002","10.113","0.003","10.771","0.005","76.21","0.03","85.78","0.03","84.6","0.03","827.6","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3α-Hydroxy-5α-androstane-4,17-dione","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","2","SK1300","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α-Hydroxy-5α-androstane-4,17-dione","Acta Crystallographica Section C","1999","55","12","2149","2151","10.1107/S0108270199011877","","","0.71073","MoKα","","0.096","0.039","","","","0.113","","","","","","1.005","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009344","13.3506","0.0003","9.4397","0.0001","13.5106","0.0003","90","","109.566","0.001","90","","1604.36","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dioxo-bis(8-quinolinolato-N,O)tungsten(VI)","","- C18 H12 N2 O4 W -","- C18 H12 N2 O4 W -","- C72 H48 N8 O16 W4 -","4","0.5","SK1319","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhen-Feng Chen; Jing Zhang; Xiang Xue; Ren-Gen Xiong; Xiao-Zeng You","Dioxobis(8-quinolinolato-<i>N</i>,<i>O</i>)tungsten(VI)","Acta Crystallographica Section C","1999","55","12","2037","2039","10.1107/S0108270199010719","","","0.71073","MoKα","","0.04","0.035","","","","0.089","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009345","7.5803","0.0008","18.4838","0.0012","5.5653","0.0005","90","","90","","90","","779.77","0.12","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Potassiumdicoppervanadiumtetraselenide","Potassiumdicoppervanadiumtetraselenide","","- Cu2 K Se4 V -","- Cu2 K Se4 V -","- Cu8 K4 Se16 V4 -","4","0.5","SK1321","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","KCu~2~VSe~4~","Acta Crystallographica Section C","1999","55","12","1959","1961","10.1107/S0108270199011427","","","0.71073","MoKα","","0.029","0.02","","0.047","0.045","","","","1.036","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009346","16.3","0.0008","5.455","0.001","34.976","0.002","90","","90.667","0.004","90","","3109.7","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,5-triphenyl-(4H)-1,2,4-oxadiazoline","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","SK1322","Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna","3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole","Acta Crystallographica Section C","1999","55","12","2156","2158","10.1107/S0108270199012482","","","1.54178","CuKα","","","0.0396","","","","0.1509","","","","","","0.937","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009347","8.574","0.001","8.7391","0.001","9.9027","0.0011","102.879","0.013","97.367","0.014","100.535","0.014","700","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0615","0.0566","","","","0.1389","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009348","8.755","0.001","9.09","0.001","10.42","0.001","103.71","0.01","96.18","0.01","100.12","0.01","783.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H36 I4 Ru2 -","- C27 H35 I4 Ru2 -","- C27 H35 I4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0426","0.0361","","","","0.1231","","","","","","1.294","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009349","10.1188","0.0004","11.5242","0.0004","15.7404","0.0005","92.957","0.002","97.931","0.002","105.392","0.002","1745.25","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Biphenol‒4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","SK1325","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Two independent <i>C</i>^2^~2~(20) chains in the hydrogen-bonded structure of 4,4'-biphenol‒4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","12","2133","2136","10.1107/S0108270199010434","","","0.71073","MoKα","","0.083","0.044","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009350","24.573","0.003","6.477","0.001","17.435","0.003","90","","128.72","0.01","90","","2165","0.6","125","","125","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-ethynyl-cyclohexylammonium acetate salt","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C80 H136 N8 O16 -","8","1","SK1330","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","1-Ethynylcyclohexylammonium acetate","Acta Crystallographica Section C","1999","55","12","2131","2132","10.1107/S0108270199012469","","","0.71073","MoKα","","0.0605","0.0485","","","","0.1236","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009351","27.9391","0.0008","27.9391","0.0008","12.7565","0.0004","90","","90","","90","","9957.6","0.5","100","1","100","1","","","","","","","","4","P -4","P -4","81","","2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1)","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C480 H512 N32 O64 -","16","4","SK1331","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","1999","55","12","2136","2140","10.1107/S0108270199011440","","","0.71073","MoKα","","0.1279","0.0572","","","","0.1619","","","","","","1.009","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009352","9.602","0.005","7.636","0.006","16.661","0.005","90","","92.16","0.03","90","","1220.7","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Argininium tris(acetato-O,O')dioxouranium(III)‒acetic acid‒water (1/1/1)","","- C14 H30 N4 O13 U -","- C14 H30 N4 O13 U -","- C28 H60 N8 O26 U2 -","2","1","SK1332","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","<small>L</small>-Argininium tris(acetato-<i>O</i>,<i>O</i>')dioxouranium(III)‒acetic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","12","2039","2041","10.1107/S0108270199011907","","","0.71073","MoKα","","0.027","0.017","","","","0.043","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009353","8.5705","0.0017","13.657","0.003","14.895","0.003","84.26","0.03","81.95","0.03","87.11","0.03","1716.4","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Alprozolam dihydrate","8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate","","- C17 H17 Cl N4 O2 -","- C17 H14.75 Cl N4 O2 -","- C68 H59 Cl4 N16 O8 -","4","4","SX1085","Daniel R. Vega; Ricardo Baggio; Silvia Russi","8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate","Acta Crystallographica Section C","1999","55","12","2094","2096","10.1107/S0108270199010446","","","0.71073","MoKα","","0.074","0.043","","","","0.133","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009354","11.2528","0.0016","25.346","0.002","13.0637","0.0015","90","","106.117","0.009","90","","3579.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline)nickel(II) nitrate thiourea solvate","","- C37 H30 N10 Ni O7 S -","- C37 H30 N10 Ni O7 S -","- C148 H120 N40 Ni4 O28 S4 -","4","0.5","SX1088","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.","Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate","Acta Crystallographica Section C","1999","55","12","1991","1993","10.1107/S0108270199011312","","","0.71069","MoKα","","0.0504","0.0395","","","","0.1162","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009355","8.7543","0.0011","9.9307","0.0015","7.314","0.0016","108.537","0.014","106.347","0.014","85.225","0.012","578.48","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Di-μ-chloro(bis(2-pyridyl) ketone)copper(II)","","- C11 H8 Cl2 Cu N2 O -","- C11 H8 Cl2 Cu N2 O -","- C22 H16 Cl4 Cu2 N4 O2 -","2","1","SX1092","Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; Suescun, Leopoldo; Kremer, Eduardo; González, Ricardo","<i>catena</i>-Poly[[[bis(2-pyridyl) ketone-<i>N</i>,<i>N</i>']copper(II)]-di-μ-chloro]","Acta Crystallographica Section C","1999","55","12","1989","1991","10.1107/S0108270199011750","","","0.71069","MoKα","","0.038","0.032","","","","0.096","","","","","","1.035","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009356","9.719","0.003","11.682","0.003","8.7504","0.0013","92.932","0.014","90.434","0.017","85.99","0.02","989.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","cis-dichloro(1,10-phenanthroline)tiourea-acuo-cobalt(II):tiourea","","- C14 H18 Cl2 Co N6 O S2 -","- C14 H18 Cl2 Co N6 O S2 -","- C28 H36 Cl4 Co2 N12 O2 S4 -","2","1","SX1094","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.","[Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline)","Acta Crystallographica Section C","1999","55","12","2065","2068","10.1107/S0108270199011993","","","0.7107","MoKα","","0.0642","0.0409","","","","0.1223","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009357","43.749","0.01","20.984","0.002","4.598","0.001","90","","90","","90","","4221.1","1.4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-pyridylcarboxaldehyde isonicotinoyl hydrazone","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C192 H160 N64 O16 -","16","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.108","0.05","","","","0.122","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009358","7.1468","0.0006","11.994","0.007","29.493","0.005","90","","90","","90","","2528.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-pyridinecarboxaldehyde benzoyl hydrazone hydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.058","0.034","","","","0.127","","","","","","1.059","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009359","14.188","0.003","5.285","0.0003","26.954","0.006","90","","93.55","0.01","90","","2017.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-furfuryl isonicotinoyl hydrazone","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.18","0.047","","","","0.143","","","","","","0.971","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009360","12.242","0.003","5.869","0.002","14.812","0.002","90","","114.38","0.01","90","","969.3","0.4","223","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","AB1067","Maurin, J.K.; Paul, I.C.; Curtin, D.Y.","Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K","Acta Crystallographica Section C","1994","50","1","78","81","10.1107/S0108270193005967","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.471","1.471","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009361","13.7","0.006","9.111","0.001","16.779","0.005","90","","92.95","","90","","2091.6","1.1","223","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","AB1067","Maurin, J.K.; Paul, I.C.; Curtin, D.Y.","Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K","Acta Crystallographica Section C","1994","50","1","78","81","10.1107/S0108270193005967","","","0.71073","MoKα","","","0.041","","","0.042","","","","","1.225","1.225","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009362","12.092","0.002","9.393","0.002","12.507","0.002","90","","105.423","0.009","90","","1369.4","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 N2 O6 Sn -","- C24 H32 Cl2 N2 O6 Sn -","- C48 H64 Cl4 N4 O12 Sn2 -","2","0.5","AB1077","Hazell, A.; Goh, N.K.; Khoo, L.E.","Molecular adduct of dimethyltin dichloride with methyl <i>N</i>-(2-hydroxybenzylidene)alaninate (1:2), [SnCl~2~(C~11~H~13~NO~3~)~2~(CH~3~)~2~]","Acta Crystallographica Section C","1994","50","1","54","56","10.1107/S0108270193005694","","","0.71073","MoKα","","","0.042","","","0.052","","","","","1.517","1.517","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009363","12.8909","0.0007","11.1618","0.0006","6.811","0.0003","90","","90","","90","","980.01","0.09","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","","3-methoxyimino-quinuclidinium chloride","","- C8 H15 Cl N2 O -","- C6 H13.5 Cl0.5 N O0.5 -","- C24 H54 Cl2 N4 O2 -","4","0.5","AB1095","Schouten, A.; Kanters, J.A.; Kroon, J.; Plate, R.; Kelder, J.","Structure of Org 32763: 3-methoxyiminoquinuclidinium chloride","Acta Crystallographica Section C","1994","50","1","128","129","10.1107/S0108270193007504","","","0.71073","MoKα","","","0.0386","","","0.0395","","","","","0.43","0.43","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2009364","5.3311","0.0003","5.3311","0.0003","4.4332","0.0003","90","","90","","120","","109.114","0.011","300","","","","","","","","","","","4","P 6 m m","P 6 -2","183","","","","- Cr0.2 Fe0.6 Ni0.2 Sn -","- Fe Sn -","- Fe3 Sn3 -","3","0.25","AL1040","Larsson, A.-K.; Lidin, S.","The CoSn type structure of (Fe~0.6~,Cr~0.2~,Ni~0.2~)Sn","Acta Crystallographica Section C","1994","50","1","13","15","10.1107/S0108270193005438","","","0.71069","MoKα","","","0.0243","","","0.0299","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009365","23.204","0.003","11.22","0.002","16.139","0.003","90","","110.95","0.01","90","","3924","1.2","297","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C184 H168 N8 O32 -","8","1","AL1052","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structure of an oxepino[2,3-<i>b</i>]indolizine derivative","Acta Crystallographica Section C","1994","50","1","139","141","10.1107/S0108270193006778","","","0.71069","MoKα","","","0.048","","","0.054","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009366","9.307","0.002","10.561","0.004","13.241","0.002","90","","90","","90","","1301.5","0.6","210","","","","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C16 H24 Cl4 N8 O3 Re2 -","- C16 H24 Cl4 N8 O3 Re2 -","- C32 H48 Cl8 N16 O6 Re4 -","2","0.25","CD1046","Pearson, C.; Beauchamp, A.L.","Structure of μ-oxo-bis[dichlorobis(1-methylimidazole-<i>N</i>^3^)oxorhenium(V)], [{ReOCl~2~(C~4~H~6~N~2~)~2~}~2~O]","Acta Crystallographica Section C","1994","50","1","42","44","10.1107/S0108270193006158","","","1.54178","CuKα","","","0.0253","","","0.0301","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009367","17.08","0.002","13.467","0.003","15.991","0.004","90","0.02","91.68","0.01","90.02","0.01","3676.6","1.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Br6 Hg2 O S32 -","- C44 Br6 Hg2 O S32 -","- C88 Br12 Hg4 O2 S64 -","2","0.5","CR1027","Thiel, James; Bu, Xianhui; Coppens, Philip","Structure of (BEDT-TTF)~4~[Hg~2~Br~6~].THF","Acta Crystallographica Section C","1994","50","1","23","25","10.1107/S0108270193006912","","","0.71073","MoKα","","","0.049","","","0.053","","","","","2.87","2.87","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009368","10.295","0.003","10.791","0.003","11.827","0.004","77.74","0.03","66.49","0.02","75.63","0.02","1157.6","0.6","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Cl2 O4 Sn4 -","- C48 H42 Cl2 O4 Sn4 -","- C48 H42 Cl2 O4 Sn4 -","1","0.5","CR1053","Kresinski, R.A.; Staples, R.J.; Fackler, J.P.Jr","Structure of dichlorobis(μ-hydroxo)bis(μ~3~-oxo)octaphenyltetratin(IV), [Sn~4~Cl~2~(O)~2~(OH)~2~(C~6~H~5~)~8~]","Acta Crystallographica Section C","1994","50","1","40","41","10.1107/S0108270193006018","","","0.71073","MoKα","","","0.0237","","","0.0312","","","","","1.08","1.08","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2009369","10.194","0.002","10.224","0.002","11.985","0.002","95.32","0.02","95.93","0.01","97.03","0.01","1226","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C60 H54 O6 -","3","1.5","CR1054","Lord, M.D.; Winter, R.E.K.; Rath, N.P.","<i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~","Acta Crystallographica Section C","1994","50","1","116","120","10.1107/S010827019300602X","","","0.71069","MoKα","","","0.0677","","","0.0654","","","","","1.26","1.26","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009370","8.548","0.007","12.546","0.008","15.809","0.01","90","","103.54","0.02","90","","1648","2","298","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","CR1054","Lord, M.D.; Winter, R.E.K.; Rath, N.P.","<i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~","Acta Crystallographica Section C","1994","50","1","116","120","10.1107/S010827019300602X","","","0.71069","MoKα","","","0.069","","","0.0863","","","","","1.12","1.12","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009371","11.552","0.002","22.165","0.001","20.89","0.002","90","","90","","90","","5348.9","1.1","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C22 H39 N O8 -","- C22 H39 N O8 -","- C176 H312 N8 O64 -","8","1","CR1056","Newkome, G.R.; Behera, R.K.; Baker, G.R.; Fronczek, F.R.","Di-<i>tert</i>-butyl 4-[2-(<i>tert</i>-butoxycarbonyl)ethyl]-4-nitroheptanedioate, C~22~H~39~NO~8~","Acta Crystallographica Section C","1994","50","1","120","122","10.1107/S0108270193006006","","","1.54184","CuKα","","","0.069","","","0.09","","","","","4.092","4.092","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009372","8.211","0.002","5.869","0.002","25.291","0.005","90","","99.18","","90","","1203.2","0.6","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","CR1057","Li, Z.; Su, G.","Structure of 4-chlorochalcone","Acta Crystallographica Section C","1994","50","1","126","127","10.1107/S0108270193005992","","","0.71069","MoKα","","","0.045","","","0.054","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009373","7.905","0.002","24.11","0.011","7.929","0.002","90","","96.52","0.02","90","","1501.4","0.9","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl6 N O3 Sb -","- C23 H30 Cl6 N O3 Sb -","- C46 H60 Cl12 N2 O6 Sb2 -","2","1","CR1060","Singh, P.; Comins, D.L.; Joseph, S.P.","4-Methoxy-1-[(1<i>R</i>,4<i>S</i>,5<i>R</i>)-8-phenylmenthoxycarbonyl]pyridinium hexachloroantimonate, C~23~H~30~NO~3~^+^.SbCl~6~^{-^}","Acta Crystallographica Section C","1994","50","1","25","27","10.1107/S0108270193006031","","","0.71073","MoKα","","","0.047","","","0.056","","","","","1.21","1.21","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009374","12.281","0.001","17.844","0.001","8.076","0.001","90","","90","","90","","1769.8","0.3","295","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-4β-chloro-7aβ-methyl-9-thiomethoxy-1,2,3,4,5,6,7,7a- octahydro-3a,5-ethano-3aH-inden-8-one","","- C17 H27 Cl O2 S -","- C17 H27 Cl O2 S -","- C68 H108 Cl4 O8 S4 -","4","1","CR1062","Brock, Carolyn Pratt; Richardson, S. K.; Sabol, M. R.; Watt, David S.; Syed, Ashfaquzzaman","An octahydro-3a,6-methanoazulen-5-one resulting from an intramolecular Friedel‒Crafts acylation","Acta Crystallographica Section C","1994","50","1","106","108","10.1107/S0108270193006675","","","1.5418","CuKα","","","0.042","","","0.057","","","","","3.33","3.33","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2009375","9.881","0.005","13.393","0.006","14.396","0.005","90","","90.87","0.03","90","","1904.9","1.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Au Cl3 P -","- C18 H15 Au Cl3 P -","- C72 H60 Au4 Cl12 P4 -","4","1","CR1064","Staples, R.J.; Elduque, A.; Grant, T.; Fackler, J.P. Jr","Structure of trichloro(triphenylphosphine)gold(III), [AuCl~3~{P(C~6~H~5~)~3~}]","Acta Crystallographica Section C","1994","50","1","39","40","10.1107/S0108270193006043","","","0.71073","MoKα","","","0.029","","","0.028","","","","","1.25","1.25","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009376","11.546","0.006","9.36","0.002","4.922","0.003","90","","101.5","0.2","90","","521.2","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","DU1028","Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.","Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one","Acta Crystallographica Section C","1994","50","1","97","100","10.1107/S010827019300589X","","","0.71073","MoKα","","","0.0334","","","0.0401","","","","","1.07","1.07","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009377","7.295","0.003","25.653","0.005","6.321","0.002","90","","90","","90","","1182.9","0.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","DU1028","Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.","Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one","Acta Crystallographica Section C","1994","50","1","97","100","10.1107/S010827019300589X","","","0.71073","MoKα","","","0.0478","","","0.0545","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009378","13.233","0.006","11.551","0.009","17.416","0.009","90","","96.78","0.05","90","","2643","3","213","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 F6 N6 O8 S2 U -","- C14 H30 F6 N6 O8 S2 U -","- C56 H120 F24 N24 O32 S8 U4 -","4","1","DU1044","Nierlich, M.; Sabattie, J.-M.; Keller, N.; Lance, M.; Vigner, J.-D.","Inclusion complex between uranyl and an azacrown; structure of [UO~2~(18-azacrown-6)]^2+^.2CF~3~SO~3~^{-^}","Acta Crystallographica Section C","1994","50","1","52","54","10.1107/S0108270193006717","","","0.71073","MoKα","","","0.034","","","0.039","","","","","4.3","4.3","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009379","10.011","0.005","13.752","0.004","12.182","0.003","90","","113.13","0.04","90","","1542.3","1.1","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","DU1045","Nierlich, M.; Lance, M.; Vigner, D.; Strzalko, T.; Wartski, L.","Structure of <i>trans</i>-methyl {2-[(cyano)(phenylthio)methyl]-3-oxocyclopentyl}acetate, C~16~H~17~NO~3~S","Acta Crystallographica Section C","1994","50","1","131","133","10.1107/S010827019300681X","","","0.71073","MoKα","","","0.056","","","0.085","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009380","21.226","0.003","21.226","0.003","14.306","0.002","90","","90","","120","","5581.9","1.4","295","","","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C30 H61 N9 O26 Pt3 -","- C30 N9 O26 Pt3 -","- C120 N36 O104 Pt12 -","4","0.333333","DU1047","Khodadad, P.; Rodier, N.","[Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O","Acta Crystallographica Section C","1994","50","1","46","48","10.1107/S0108270193005979","","","0.7107","MoKᾱ","","","0.038","","","0.051","","","","","1.32","1.32","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009381","7.553","0.002","9.1556","0.0008","9.966","0.002","90","","109.301","0.008","90","","650.4","0.2","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- Mo5 O8 Sr -","- Mo5 O8 Sr -","- Mo20 O32 Sr4 -","4","1","","Gall, P.; Gougeon, P.","Structure of SrMo~5~O~8~ Containing Chains of Bioctahedral Mo~10~ Clusters","Acta Crystallographica Section C","1994","50","","07","09","","","","","","","","0.029","","","0.034","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009382","13.9571","0.0007","9.8457","0.0008","15.231","0.002","90","","90","","90","","2093","0.3","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 N6 Ni O2 -","- C22 H16 N6 Ni O2 -","- C88 H64 N24 Ni4 O8 -","4","0.5","HA1051","Karmele Urtiaga, M.; Pizarro, J.L.; Cortes, R.; Goñi, A.; Larramendi, J.I.R.","Structure of bis(2,2'-bipyridyl)diisocyanatonickel(II)","Acta Crystallographica Section C","1994","50","1","56","58","10.1107/S0108270193006547","","","0.71069","MoKα","","","0.0395","","","0.0407","","","","","1.53","1.53","","","","","has coordinates","198846","2020-10-21","18:00:00",""
"2009383","11.09","0.001","8.672","0.001","20.699","0.002","90","","94.79","0.01","90","","1983.7","0.3","292","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Br2 O4 -","- C20 H26 Br2 O4 -","- C80 H104 Br8 O16 -","4","1","HA1055","Castellano, E.E.; Brocksom, T. J.; Ceschi, M.A.","Structure of a tetracyclic intermediate in the synthesis of <i>Daphniphyllum</i> alkaloids","Acta Crystallographica Section C","1994","50","1","124","126","10.1107/S010827019300647X","","","1.5418","CuKα","","","0.042","","","0.049","","","","","2.64","2.64","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009384","4.624","0.002","16.6","0.002","11.687","0.002","90","","92.43","0.02","90","","896.3","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Carbomethoxy-1-methyl-4-trifluoromethylpyrazole","","- C7 H7 F3 N2 O2 -","- C7 H7 F3 N2 O2 -","- C28 H28 F12 N8 O8 -","4","1","HA1068","Beagley, Brian; Brown, Celeste; Pritchard, Robin G.; Tajammal, Sabiha; Tipping, Anthony E.","3-Methoxycarbonyl-1-methyl-4-trifluoromethylpyrazole","Acta Crystallographica Section C","1994","50","1","115","116","10.1107/S0108270193007449","","","0.71069","MoKα","","","0.071","","","0.04","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009385","8.497","0.001","20.881","0.004","9.541","0.002","90","","115.72","0.01","90","","1525.1","0.5","240","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C12 H22 N6 S2 -","- C12 H22 N6 S2 -","- C48 H88 N24 S8 -","4","1","HH1065","Ho, D.M.; Pascal, R.A.Jr.","Structure of a cyclophane containing a 1,5,2,4,6,8-dithiatetrazocine ring","Acta Crystallographica Section C","1994","50","1","108","110","10.1107/S0108270193006560","","","0.71073","MoKα","","","0.0576","","","0.0507","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009386","7.2032","0.001","8.2781","0.0013","10.121","0.002","66.709","0.013","89.607","0.012","79.451","0.012","543.52","0.17","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C18 H20 N8 O8 -","2","1","HH1066","Fronczek, F.R.","2,4-Dinitrophenylhydrazone derivative of acetone","Acta Crystallographica Section C","1994","50","1","122","124","10.1107/S0108270193006572","","","1.54184","CuKα","","","0.058","","","0.062","","","","","2.643","2.643","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009387","8.107","0.002","9.757","0.002","26.891","0.006","90","0.01","90","0.01","90","0.01","2127.1","0.8","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-methylnitrilotriacetamide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C56 H112 N32 O24 -","8","1","HH1070","Skrzypczak-Jankun, Ewa; Smith, Douglas A.","<i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~","Acta Crystallographica Section C","1994","50","1","91","93","10.1107/S0108270193010844","","","0.71073","MoKα","","","0.055","","","0.073","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009388","21.381","0.003","21.381","0.003","21.487","0.003","90","","90","","90","","9823","2","298","","298","","","","","","","","","4","I 41/a :2","-I 4ad","88","","(2,2',6,6'-Tetramethyl) Piperidine Thiocyanate","","- C20 H40 N4 S2 -","- C20 H40 N4 S2 -","- C320 H640 N64 S32 -","16","1","HH1074","Harrison, William T. A.; Stucky, Galen D.; Gier, Thurman E.","2,2,6,6-Tetramethylpiperidinium thiocyanate, 2C~9~H~20~N^+^.2SCN^{-^}","Acta Crystallographica Section C","1994","50","1","93","95","10.1107/S0108270193006183","","","0.71073","MoKα","","","0.054","","","0.051","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009389","13.693","0.006","14.731","0.015","8.737","0.005","90","","106.51","0.05","90","","1690","2","299","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C15 H22 F N O4 S -","- C15 H22 F N O4 S -","- C60 H88 F4 N4 O16 S4 -","4","1","HL1027","Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H.","Structure of 2-(1-acetoxy-2-fluoropropyl)-<i>N</i>-<i>tert</i>-butylbenzenesulfonamide","Acta Crystallographica Section C","1994","50","1","103","106","10.1107/S0108270193005372","","","0.71069","MoKα","","","0.0598","","","0.067","","","","","3.5233","3.5233","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009390","6.875","0.001","9.036","0.001","21.676","0.002","90","","90","","90","","1346.6","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","APDA","8-(4-Acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","HL1039","Ogawa, Keiichiro; Kaji, Makoto; Kagawa, Hiroyuki; Sagawa, Masakazu; Kakuta, Atsushi","Structure of 8-(4-acetylphenyl)-1,4-dioxa-8-azaspiro[4,5]decane: a new potential nonlinear optical material","Acta Crystallographica Section C","1994","50","1","95","97","10.1107/S0108270193007917","","","1.54184","xray_tube","","0.052","0.051","","0.067","0.067","","","","3.504","3.575","3.575","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009391","9.063","0.002","18.205","0.002","18.681","0.001","90","","90","","90","","3082.2","0.8","293","","293","","","","","","","","","3","P b c a","","","","1-chloro-1,2,2-triphenylethene","","- C20 H15 Cl -","- C20 H15 Cl -","- C160 H120 Cl8 -","8","1","KA1043","Herdtweck, Eberhardt; Ziche, Wolfgang; Auner, Norbert","1-Chloro-1,2,2-triphenylethene, C~20~H~15~Cl","Acta Crystallographica Section C","1994","50","1","81","83","10.1107/S0108270193007115","","","0.71073","MoKα","","0.055","0.055","","0.035","0.035","","","","3.154","3.154","3.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009392","9.892","0.002","9.846","0.001","14.169","0.002","90","","107.52","0.01","90","","1316","0.4","292","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","LI1048","Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da","Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~","Acta Crystallographica Section C","1994","50","1","87","88","10.1107/S0108270193004834","","","0.71073","MoKα","","","0.053","","","0.059","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009393","14.629","0.001","9.791","0.002","11.139","0.001","90","","107.53","0.01","90","","1521.4","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","1","LI1049","Iulek, J.; Zukerman-Schpector, J.; Brocksom, T.J.; Silva, F.Jr.","Structures of the Diels‒Alder reaction products of thymoquinone and 1-vinylcyclohexene. II. 7-Isopropyl-4-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~","Acta Crystallographica Section C","1994","50","1","85","86","10.1107/S0108270193004846","","","0.7073","MoKα","","","0.059","","","0.062","","","","","2.34","2.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009394","17.596","0.004","10.915","0.002","17.774","0.004","90","","91.39","0.02","90","","3412.7","1.3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C26 H48 Cu N S8 -","- C26 H48 Cu N S8 -","- C104 H192 Cu4 N4 S32 -","4","1","LI1051","Yao, T.-M.; You, X.-Z.; Li, C.; Li, L.-F.; Yang, Q.-C.","Copper complex of 6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolate","Acta Crystallographica Section C","1994","50","1","67","69","10.1107/S0108270193006419","","","0.71073","MoKα","","","0.051","","","0.0637","","","","","1.94","1.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009395","9.078","0.003","10.848","0.003","13.745","0.004","110.73","0.02","95.59","0.03","111.05","0.02","1141.7","0.7","295","","","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O5 -","- C28 H26 O5 -","- C56 H52 O10 -","2","1","LI1053","Ondráυcek, J.; Pakhomova, S.; Novotný, J.; Hovorka, M.; Ščigel, R.","Structure of methyl 2'-acetoxy-6'-<i>tert</i>-butyl-2-hydroxy-1,1'-binaphthalene-3-carboxylate, C~28~H~26~O~5~","Acta Crystallographica Section C","1994","50","1","137","139","10.1107/S0108270193005761","","","0.71073","MoKα","","","0.047","","","0.054","","","","","1.352","1.352","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009396","11.534","0.006","22.224","0.008","13.295","0.009","90","","108.09","0.05","90","","3239","3","294","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H51 N O6 S -","- C62 H102 N2 O12 S2 -","- C124 H204 N4 O24 S4 -","2","1","LI1056","Bond, C.S.; Leonard, G.A.; Regan, A.C.; Hunter, W.N.; Andrews, J.F.P.","A chiral tetrahydro-γ-pyranonecarboxylate ester for asymmetric Nazarov cyclization","Acta Crystallographica Section C","1994","50","1","133","136","10.1107/S0108270193006468","","","1.54178","CuKα","","","0.069","","","0.08","","","","","1.33","1.33","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009397","22.426","0.005","22.426","0.005","6.395","0.004","90","","90","","120","","2785","2","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","2,7-dimethyl-3,5-octadiyne-2,7-diol","","- C10 H14 Cl O2 -","- C10.3333 H14 Cl1.33333 O2 -","- C93 H126 Cl12 O18 -","9","1","MU1038","Leigh, D. A.; Moody, A. E.; Pritchard, R. G.","2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules","Acta Crystallographica Section C","1994","50","1","129","131","10.1107/S0108270193007747","","","0.71069","MoKα","","","0.0609","","","0.0736","","","","","2.56","2.56","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009398","20.069","0.005","13.249","0.003","20.431","0.004","90","","116.03","0.05","90","","4881","3","295","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H68 As4 Cl3 N2 O Tc -","- C40 H32 As4 Cl6 N3 O2 Tc -","- C160 H128 As16 Cl24 N12 O8 Tc4 -","4","0.5","MU1044","Banbery, H.J.; Hamor, T.A.","Chloronitrosylbis[<i>o</i>-phenylenebis(dimethylarsine)]technetium(I) chloride‒tetrabutylammonium chloride (1/1)","Acta Crystallographica Section C","1994","50","1","44","46","10.1107/S0108270193006663","","","0.71069","MoKα","","","0.076","","","0.108","","","","","2.625","2.625","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009399","6.624","0.002","10.165","0.003","10.549","0.003","85.21","0.03","76.84","0.011","79.726","0.009","679.9","0.3","295","10","295","10","","","","","","","","5","P -1","-P 1","2","","4-Phenyl-1,2-dithia-3,5-diazolinium bis(maleonitrliedithiolato)platinum","","- C22 H10 N8 Pt S8 -","- C22 H10 N8 Pt S8 -","- C22 H10 N8 Pt S8 -","1","0.5","MU1046","Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J.","Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(<i>p</i>-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand)","Acta Crystallographica Section C","1994","50","1","28","33","10.1107/S0108270193006651","","","0.91","synchrotron","","0.0441","0.043","","0.1009","0.0998","","","","1.04","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009400","13.545","0.002","33.147","0.004","13.756","0.001","90","","96.42","0.01","90","","6137.4","1.3","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[4-(4-chlorophenyl)-1,2-dithia-3,5-diazolinium]chloride bis(maleonitriledithiolato)platinum","","- C22 H8 Cl3 N8 Pt S8 -","- C22 H8 Cl3 N8 Pt S8 -","- C176 H64 Cl24 N64 Pt8 S64 -","8","2","MU1046","Clegg, William; Birkby, Sara L.; Banister, Arthur J.; Rawson, Jeremy M.; Wait, Simon, T.; Rizkallah, Pierre; Harding, Marjorie M.; Blake, Alexander J.","Structures of [PhCNSSN]~2~[Pt(mnt)~2~] and [(<i>p</i>-ClC~6~H~4~CNSSN)~2~Cl][Pt(mnt)~2~] (mnt = maleonitriledithiolato ligand)","Acta Crystallographica Section C","1994","50","1","28","33","10.1107/S0108270193006651","","","1.54184","CuKα","","0.0818","0.0608","","0.1865","0.1594","","","","1.068","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009401","34.687","0.003","13.396","0.002","25.721","0.002","90","","113.518","0.007","90","","10959","2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pentahydroxy-p-tert-butylcalix[5]arene","The pentahydroxy-p-tert-butyl-calix[5]arene, 5,11,17,23,29-penta-tert- butyl-31,32,33,34,35-pentahydroxyhexacyclo[25.3.1.1^3,7^.1^9,13^.1^15,19^.- 1^21,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),- 27,29-pentadecaene:0.28heptane","","- C57 H70 O5 -","- C56.875 H70 O5 -","- C455 H560 O40 -","8","1","MU1052","Gallagher, John F.; Ferguson, George; Böhmer, Volker; Kraft, Dagmar","Self inclusion in a calix[5]arene structure; structure of the cone conformer of a pentahydroxy-<i>p</i>-<i>tert</i>-butylcalix[5]arene","Acta Crystallographica Section C","1994","50","1","73","77","10.1107/S0108270193007152","","","0.71073","MolybdenumKα","","0.17","0.066","","0.117","0.092","","","","","1.48","1.48","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009402","16.2124","0.0013","5.9458","0.0006","17.2602","0.0017","90","","115.965","0.007","90","","1495.9","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzyldiphenylcarbinol","1,2-triphenylethanol","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","MU1055","Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M.","O‒H^{···^}π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol","Acta Crystallographica Section C","1994","50","1","70","73","10.1107/S0108270193007164","","","0.71073","MolybdenumKα","","0.103","0.037","","0.052","0.042","","","","","1.29","1.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009403","14.7334","0.0008","21.7592","0.0015","14.783","0.0009","90","","117.273","0.004","90","","4212.4","0.5","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ferrocene-1,1'-diylbis(phenylethanol)","1,1'-Diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol","","- C26 H26 Fe O2 -","- C26 H26 Fe O2 -","- C208 H208 Fe8 O16 -","8","1","MU1056","Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol","Acta Crystallographica Section C","1994","50","1","18","23","10.1107/S0108270193007012","","","0.71073","MolybdenumKα","","0.056","0.03","","0.045","0.043","","","","","1.45","1.45","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2009404","6.1096","0.0003","16.5931","0.0008","12.7382","0.0005","90","","95.373","0.004","90","","1285.69","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1'-(ferrocene-1,1'-diyl)diethanol","1,1'-(1,1'-ferrocenediyl)diethanol","","- C14 H18 Fe O2 -","- C14 H18 Fe O2 -","- C56 H72 Fe4 O8 -","4","1","MU1056","Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol","Acta Crystallographica Section C","1994","50","1","18","23","10.1107/S0108270193007012","","","0.71073","MolybdenumKα","","0.035","0.026","","0.044","0.042","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009405","14.84","0.001","19.592","0.001","17.716","0.001","90","","90","","90","","5150.8","0.5","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","{Tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) tetrafluoroborate","","- C21 H24 B Cu F4 N4 S3 -","- C21 H24 B Cu F4 N4 S3 -","- C168 H192 B8 Cu8 F32 N32 S24 -","8","1","MU1057","Gallagher, John F.; Alyea, Elmer C.; Ferguson, George; Xu Zheng","Structure of the copper tripodal Schiff base complex {tris[4-(2-thienyl)-3-aza-κ<i>N</i>-3-butenyl]amine-κ<i>N</i>}copper(I) tetrafluoroborate","Acta Crystallographica Section C","1994","50","1","16","18","10.1107/S0108270193007176","","","0.71073","MolybdenumKα","","0.155","0.04","","0.066","0.047","","","","","1.3","1.3","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009406","17.071","0.006","9.368","0.004","14.566","0.009","90","","107.95","0.05","90","","2216","1.9","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br3 In P2 -","- C16 H22 Br3 In P2 -","- C64 H88 Br12 In4 P8 -","4","1","MU1062","Clegg, William; Norman, Nicholas C.; Pickett, Nigel L.","Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~]","Acta Crystallographica Section C","1994","50","1","36","38","10.1107/S010827019300695X","","","0.71073","MoKα","","0.0906","0.0575","","0.17","0.1405","","","","1.13","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009407","14.758","0.003","22.038","0.004","8.977","0.002","90","","90","","90","","2919.7","1","160","1","160","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 I3 In P2 -","- C26 H26 I3 In P2 -","- C104 H104 I12 In4 P8 -","4","1","MU1062","Clegg, William; Norman, Nicholas C.; Pickett, Nigel L.","Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~]","Acta Crystallographica Section C","1994","50","1","36","38","10.1107/S010827019300695X","","","0.71073","MoKα","","0.0424","0.0316","","0.112","0.0964","","","","1.119","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009408","6.6495","0.0004","9.8627","0.0007","17.6172","0.0012","90","","91.286","0.005","90","","1155.08","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetramethyloxaheptanedinitrile","2,2,6,6-tetramethyl-4-oxaheptanedinitrile","","- C10 H16 N2 O -","- C10 H16 N2 O -","- C40 H64 N8 O4 -","4","1","MU1064","Ferguson, George; Gallagher, John F.; McAlees, Alan J.","Structure of 2,2,6,6-tetramethyl-4-oxaheptanedinitrile","Acta Crystallographica Section C","1994","50","1","77","78","10.1107/S0108270193007188","","","0.71073","MoKα","","0.227","0.05","","0.06","0.042","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009409","10.383","0.002","12.906","0.003","13.327","0.003","90","","90","","90","","1785.9","0.7","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Nb -","- C18 H26 Cl2 Nb -","- C72 H104 Cl8 Nb4 -","4","1","MU1065","McCamley, Andrew; Miller, Thomas J.; Clegg, William","Bis(η^5^-<i>tert</i>-butylcyclopentadienyl)dichloroniobium(IV)","Acta Crystallographica Section C","1994","50","1","33","36","10.1107/S0108270193006961","","","0.71073","MoKα","","0.0641","0.0324","","0.0831","0.0731","","","","1.053","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009410","20.838","0.004","19.88","0.004","10.861","0.003","90","","90","","90","","4499.3","1.8","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C192 H160 N32 O48 -","8","1","NA1037","Donati, D.; Fiorenza, M.; Sarti-Fantoni, P.","Structure of [1α(<i>E</i>),5α,6β,7α]-4-methyl-7-(3-methyl-4-nitro-5-isoxazolyl)-5-nitro-6-phenyl-1-styryl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene","Acta Crystallographica Section C","1994","50","1","141","144","10.1107/S010827019300633X","","","1.5418","CuKα","","","0.043","","","0.049","","","","","0.088","0.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009411","8.634","0.001","10.31","0.001","10.493","0.001","84.15","0.01","81.32","0.01","76.41","0.01","895.35","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl 5-benzoyl-1-(2-methoxycarbonylphenyl)-2-pyrazoline-3-carboxylate","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","NA1050","Pilati, T.; Casalone, G.","Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~","Acta Crystallographica Section C","1994","50","1","88","91","10.1107/S0108270193007097","","","0.71073","MoKα","","","0.035","","","0.042","","","","","2.261","2.261","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009412","28.96","0.003","7.984","0.001","18.388","0.002","90","","120.55","0.01","90","","3661.4","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","","","methyl (\±)-5($αlpha$-hydroxybenzyl)-1-(2-methoxycarbonylphenyl)-2-pyrazoline-3 -carboxylate","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","NA1050","Pilati, T.; Casalone, G.","Structure of two 1,3,5-substituted 2-pyrazolines, C~20~H~18~N~2~O~5~ and C~20~H~20~N~2~O~5~","Acta Crystallographica Section C","1994","50","1","88","91","10.1107/S0108270193007097","","","0.71073","MoKα","","","0.035","","","0.036","","","","","1.818","1.818","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009413","13.16","0.006","13.565","0.006","11.077","0.005","109.75","0.03","79.52","0.03","116.88","0.03","1659","1.4","295","","","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H64 Cl2 N2 Ni2 O8 P4 S2 -","- C68 H64 Cl2 N2 Ni2 O8 P4 S2 -","- C68 H64 Cl2 N2 Ni2 O8 P4 S2 -","1","0.5","OH1024","Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S.","Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II)","Acta Crystallographica Section C","1994","50","1","58","61","10.1107/S010827019300616X","","","0.71069","MoKα","","","0.054","","","0.086","","","","","0.26","0.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009414","14.395","0.009","12.483","0.01","9.625","0.005","66.85","0.05","105.09","0.05","115.97","0.06","1421.5","1.8","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H53 N P2 Pd2 S4 -","- C71 H50 N7 P2 Pd2 S4 -","- C71 H50 N7 P2 Pd2 S4 -","1","0.5","OH1024","Nakanishi, I.; Tanaka, S.; Matsumoto, K.; Ooi, S.","Structures of mixed benzenethiolatophosphino dinuclear complexes of nickel(II) and palladium(II)","Acta Crystallographica Section C","1994","50","1","58","61","10.1107/S010827019300616X","","","0.71069","MoKα","","","0.055","","","0.088","","","","","0.3","0.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009415","13.679","0.004","15.182","0.004","15.39","0.003","90","","90","","90","","3196.1","1.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-2-(1,2:5,6-di-O-isopropylidène-α-D-allofuranos-3-yl) dibenzyl-tert- butyle glycinate","","- C32 H43 N O8 -","- C32 H43 N O8 -","- C128 H172 N4 O32 -","4","1","PA1055","Chiaroni, Angèle; Riche, Claude; Bouifraden, S.; Ittobane, N.; Lavergne, J.-P.; Viallefont, P.","Structure du <small>L</small>-2-(1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranos-3-yl)dibenzylglycinate de <i>tert</i>-butyle, C~32~H~43~NO~8~","Acta Crystallographica Section C","1994","50","1","110","112","10.1107/S0108270193004512","","","1.5418","CuKα","","","0.049","","","0.069","","","","","1.55","1.55","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009416","7.774","0.003","11.235","0.004","6.463","0.003","90","","92.15","0.01","90","","564.1","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl Cu O8 -","- C7 H12 Cl Cu O8 -","- C14 H24 Cl2 Cu2 O16 -","2","1","PA1060","Bkouche-Waksman, I.","Structure and absolute configuration of a quinic acid‒copper(II) complex","Acta Crystallographica Section C","1994","50","1","62","64","10.1107/S010827019300842X","","","0.7107","MoKα","","","0.045","","","0.056","","","","","1.29","1.29","","","","","has coordinates","198479","2020-10-21","18:00:00",""
"2009417","37.716","0.002","5.765","0.001","5.313","0.001","103.97","0.02","89.628","0.001","94.75","0.01","1117.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-perfluoroheptylbenzoate","","- C21 H8 F15 N O2 -","- C21 H8 F15 N O2 -","- C42 H16 F30 N2 O4 -","2","1","PA1061","Kromm, P.; Bideau, J.-P.; Cotrait, M.; Destrade, C.; Nguyen, H.T.","4-Cyanophenyl 4-perfluoroheptylbenzoate","Acta Crystallographica Section C","1994","50","1","112","115","10.1107/S0108270193007401","","","1.5418","CopperKα","","","0.076","","","0.087","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009418","12.4","0.001","12.4","0.001","7.102","0.001","90","","90","","90","","1092","0.2","293","2","293","2","","","","","","","","3","P 43","P 4cw","78","","2,7-Anhydro-4,5-O-isopropylidene-β-D-altro-2-heptulopyranose","","- C10 H16 O6 -","- C10 H16 O6 -","- C40 H64 O24 -","4","1","SE1033","Kopf, Jürgen; Abeln, Dirk; Köll, Peter","Structure of isopropylidene sedoheptulosan","Acta Crystallographica Section C","1994","50","1","83","85","10.1107/S0108270193007218","","","1.54178","CuKα","","0.0303","0.0277","","0.073","0.0711","","","","0.998","1.01","1.01","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009419","8.854","0.007","8.854","0.007","8.854","0.007","90","","90","","90","","694.1","1","293","","","","","","","","","","","4","P -4 3 m","P -4 2 3","","","","","- Cu Ni5 Sn9 Zn5 -","- Ni13 Sn13 -","- Ni26 Sn26 -","2","0.0833333","SH1035","Larsson, A-K.; Lidin, S.; Jacob, M.","Sn~8.7~(Ni~0.5~,Zn~0.4~,Cu~0.1~)~10.4~, a new tin-based alloy from a complex metallic mixture","Acta Crystallographica Section C","1994","50","1","9","12","10.1107/S0108270193006481","","","0.71069","MoKα","","","0.0535","","","0.0752","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009420","6.843","0.002","11.748","0.003","15.228","0.003","90","","90","","90","","1224.2","0.5","295","","","","","","","","","","","3","C c m m","C 2c -2c","","","","","- Cl2 O11 Te6 -","- Cl2 O6 Te3 -","- Cl8 O24 Te12 -","4","0.25","SH1049","Giester, G.","Te~6~O~11~Cl~2~ ‒ a revision of crystal symmetry","Acta Crystallographica Section C","1994","50","1","3","4","10.1107/S0108270193006080","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.89","2.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009421","11.004","0.003","13.482","0.004","19.935","0.002","90","","90","","90","","2957.5","1.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cyclo(L-Thr-D-Val-L-Pro-Sar-N-MeVal-L-Val-O~Thr~)","","- C24 H46 Cl N5 O8 -","- C24 H46 Cl N5 O8 -","- C96 H184 Cl4 N20 O32 -","4","1","SH1066","Pohl, Ehmke; Sheldrick, George M.; Fischer, Stefan; Lackner, Helmut","Structure of <i>cyclo</i>-(<small>L</small>-threonyl-<small>D</small>-valyl-<small>L</small>-prolyl-sarcosyl-<i>N</i>-methyl-<small>L</small>-valyl-O~Thr~) at 153 K","Acta Crystallographica Section C","1994","50","1","100","103","10.1107/S0108270193007334","","","0.71073","MoKα","","0.0372","0.0334","","","","","","","1.064","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009422","8.687","0.001","20.976","0.003","7.035","0.001","90","","110.8","0.01","90","","1198.4","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C11 H8 Ag N3 O4 -","- C13.75 H10 Ag1.25 N7.5 O1.25 -","- C55 H40 Ag5 N30 O5 -","4","1","ST1055","Sommerer, S.O.; Westcott, B.L.; Abboud, K.A.","Structures of <i>catena</i>-poly[(nitrato-<i>O</i>,<i>O</i>')silver(I)-μ-(di-2-pyridyl ketone-<i>N</i>:<i>N</i>')] and di-2-pyridyl ketone","Acta Crystallographica Section C","1994","50","1","48","52","10.1107/S0108270193006444","","","0.71073","MoKα","","","0.035","","","0.032","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009423","12.314","0.002","13.402","0.002","7.212","0.001","90","","97.16","0.01","90","","1180.9","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 B F4 N2 O -","- C11 H10 B F7 N2 O -","- C44 H40 B4 F28 N8 O4 -","4","1","ST1055","Sommerer, S.O.; Westcott, B.L.; Abboud, K.A.","Structures of <i>catena</i>-poly[(nitrato-<i>O</i>,<i>O</i>')silver(I)-μ-(di-2-pyridyl ketone-<i>N</i>:<i>N</i>')] and di-2-pyridyl ketone","Acta Crystallographica Section C","1994","50","1","48","52","10.1107/S0108270193006444","","","0.71073","MoKα","","","0.0526","","","0.0597","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009424","3.327","0.0002","3.327","0.0002","12.175","0.0001","90","","90","","120","","116.709","0.01","296","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- Fe In O3 -","- Fe In O3 -","- Fe2 In2 O6 -","2","0.0833333","ST1059","Giaquinta, D.M.; Davis, W.M.; Zur Loye, H.-C.","Structure of indium iron oxide","Acta Crystallographica Section C","1994","50","1","5","7","10.1107/S0108270193007723","","","0.71069","MoKα","","","0.014","","","0.015","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009425","14.794","0.019","18.377","0.015","23.41","0.04","90","","97.63","0.11","90","","6308","15","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-Dicarbonyldichlorobis(triphenylphosphine)bis[μ- [2,6,7-trithia-1,3,4,5-tetraphosphabicyclo[2.2.1] heptanato(2-)-P3;P3,P5]]diiridium, compound with toluene (1:2)","","- C52 H46 Cl2 Ir2 O2 P10 S6 -","- C52 H46 Cl2 Ir2 O2 P10 S6 -","- C208 H184 Cl8 Ir8 O8 P40 S24 -","4","0.5","ST1074","Kuwabara, Estelle; Bau, Robert","<i>cis</i>-[IrCl(CO)(PPh~3~)(μ-P~4~S~3~)]~2~.2CH~3~C~6~H~5~","Acta Crystallographica Section C","1994","50","1","64","67","10.1107/S0108270193006456","","","0.71069","MolybdenumKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","198849","2020-10-21","18:00:00",""
"2009426","8.364","0.003","17.281","0.002","11.94","0.001","90","","97.37","0.02","90","","1711.5","0.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O4 Se2 -","- C12 H20 N4 O4 Se2 -","- C48 H80 N16 O16 Se8 -","4","1","AB1071","Shatzmiller, S.; Goldberg, I.; Stein, Z.; Naddaka, V.I.","1,6-Diselenacyclodecane-3,4,8,9-tetraone tetrakis(<i>O</i>-methyloxime)","Acta Crystallographica Section C","1994","50","2","304","306","10.1107/S0108270193006225","","","0.7107","MoKα","","","0.036","","","0.035","","","","","1.24","1.24","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009427","12.5702","0.0009","9.1053","0.0006","19.17","0.0014","90","","90.798","0.009","90","","2193.9","0.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C26 H25 N2 P -","- C26 H25 N2 P -","- C104 H100 N8 P4 -","4","1","AL1048","Llamas-Saiz, A.L.; Foces-Foces, C.","Substitution effects on the structure of <i>o</i>-aryliminophosphoranes","Acta Crystallographica Section C","1994","50","2","255","259","10.1107/S0108270193006146","","","1.5418","CuKα","","","0.047","","","0.05","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009428","6.366","0.002","15.052","0.002","17.574","0.003","90","","90","","90","","1684","0.6","298","","","","","","","","","","","6","P b c 21","P 2c -2b","","","","","- C9 H24 Cl3 Co N4 O4 -","- C9 H24 Cl3 Co N4 O8 -","- C36 H96 Cl12 Co4 N16 O32 -","4","1","AS1032","Lu, T.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-Dichloro[(2<i>RS</i>,5<i>RS</i>,9<i>SR</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]cobalt(III) perchlorate, [CoCl~2~(C~9~H~24~N~4~)]ClO~4~","Acta Crystallographica Section C","1994","50","2","202","203","10.1107/S0108270193007231","","","0.71073","MoKα","","","0.056","","","0.054","","","","","0.8","0.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009429","9.454","0.001","27.61","0.01","14.762","0.003","90","","94.26","0.01","90","","3842.6","1.6","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cl2 Cu2 N8 O14 -","- C27 H47 Cl2 Cu2 N8 O14 -","- C108 H188 Cl8 Cu8 N32 O56 -","4","1","AS1044","Tahirov, T.; Lu, T.-H.; Shu, K.; Chunmg, C.-S.; Huang, C.-C.; Hong, Y.-S.","A dinuclear copper(II) complex of deprotonated <i>N</i>,<i>N</i>'-bis(<i>N</i>-propylglycyl)ethylenediamine","Acta Crystallographica Section C","1994","50","2","204","206","10.1107/S010827019300722X","","","0.71073","MoKα","","","0.058","","","0.061","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009430","32.265","0.006","5.825","0.001","27.518","0.004","90","","95.25","0.01","90","","5150.1","1.5","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C30 H18 N3 O6 P3 -","- C30 H18 N3 O6 P3 -","- C240 H144 N24 O48 P24 -","8","1","AS1057","Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.","2,2,4,4,6,6-Tris(2,3-naphthylenedioxy)cyclotriphosphazene","Acta Crystallographica Section C","1994","50","2","324","326","10.1107/S0108270193007772","","","1.54178","CuKα","","","0.0618","","","0.0524","","","","","5.79","5.79","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009431","10.07","0.001","15.925","0.001","15.582","0.002","115.032","0.009","102.59","0.02","78.09","0.01","2191.2","0.4","296","","296","","","","","","","","","3","P -1","-P 1","2","ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene","ap-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)-9,10-dihydro-9,10[1',2']- benzenoanthracene","","- C30 H25 Br -","- C30 H25 Br -","- C120 H100 Br4 -","4","2","AS1064","Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku","Structures of <i>ap</i>-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1994","50","2","297","300","10.1107/S0108270193008467","","","1.54178","CuKα","","","0.061","","","0.068","","","","","0.874","0.874","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2009432","27.746","0.002","27.746","0.002","11.817","0.003","90","","90","","90","","9097","2","296","","296","","","","","","","","","3","I 41/a :2","-I 4ad","88","sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene","sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)-9,10-dihydro-9,10[1',2']- benzenoanthracene","","- C30 H25 Br -","- C30 H25 Br -","- C480 H400 Br16 -","16","1","AS1064","Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku","Structures of <i>ap</i>-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1994","50","2","297","300","10.1107/S0108270193008467","","","0.71069","MoKα","","","0.083","","","0.063","","","","","1.68","1.68","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2009433","22.126","0.002","22.126","0.002","10.29","0.002","90","","90","","120","","4362.7","1","298","","298","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H33 N6 O40 P W12 -","- C30 N6 O39.3334 P0.1667 W12 -","- C90 N18 O118 P0.5001 W36 -","3","0.166667","AS1071","Hashimoto, Masato; Misono, Makoto","[(C~5~H~5~N)~2~H]~3~[PW~12~O~40~]","Acta Crystallographica Section C","1994","50","2","231","233","10.1107/S010827019300825X","","","0.71069","MoKα","","","0.057","","","0.056","","","","","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009434","12.021","0.001","40.218","0.005","6.171","0.001","90","","90","","90","","2983.4","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(22R)-22-methylchola-5,23-diene-3β-oxy-tert-butyldimethylsilane","","- C31 H54 O Si -","- C31 H54 O Si -","- C124 H216 O4 Si4 -","4","1","AS1074","Uchida, Akira; Ohashi, Yuji; Arai, Masayuki; Nakamura, Eiichi","(22<i>R</i>)-3β-<i>tert</i>-Butyldimethylsilyloxy-22-methylchola-5,23-diene","Acta Crystallographica Section C","1994","50","2","259","260","10.1107/S0108270193008261","","","1.54184","CuKα","","","0.068","","","0.108","","","","","0.723","0.723","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2009435","14.429","0.003","20.995","0.01","17.047","0.008","90","","107.75","0.03","90","","4918","4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Au B P2 -","- C51 H20 Au B P2 -","- C204 H80 Au4 B4 P8 -","4","1","BR1037","Staples, R.J.; Fackler, J.P.Jr; Khan, N.I.; Winpenny, R.E.P.","Bis(tri-<i>n</i>-butylphosphino)gold(I) tetraphenylborate","Acta Crystallographica Section C","1994","50","2","191","193","10.1107/S0108270193007279","","","0.71073","MoKα","","","0.0543","","","0.0612","","","","","1.31","1.31","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009436","7.3983","0.0007","9.433","0.001","10.825","0.001","93.231","0.008","107.931","0.007","99.92","0.008","703.18","0.13","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C26 H48 Cl2 P2 Pd -","- C26 H48 Cl2 P2 Pd -","- C26 H48 Cl2 P2 Pd -","1","1","BR1038","Ganguly, S.; Mague, J.T.; Roundhill, D.M.","<i>cis</i>-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)","Acta Crystallographica Section C","1994","50","2","217","219","10.1107/S0108270193007553","","","0.71073","MoKα","","","0.022","","","0.03","","","","","1.068","1.068","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009437","18.914","0.004","14.345","0.001","8.622","0.001","90","","90","","90","","2339.3","0.6","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 9-[(S)-(-)-N-acetylalanyloxy]methyl- 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C104 H100 N4 O28 -","4","1","BR1047","Pokkuluri, Phani Raj; Trotter, James","Dimethyl 9-[(<i>S</i>)-(‒)-<i>N</i>-acetylalanyloxy]methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","2","276","278","10.1107/S0108270193008881","","","1.5418","CopperKα","","0.087","0.038","","0.051","0.048","","","","","1.39","1.39","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009438","8.1129","0.0009","13.1445","0.0009","15.646","0.001","90","","98.162","0.008","90","","1651.6","0.2","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8b-Methyl 4b-(1-hydroxyethyl)-4b,8b,8c,8d-tetrahydrodibenzo [a,f]cyclopropa[cd]pentalene-8b,8c-dicarboxylate carbolactone","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","BR1048","Pokkuluri, Phani Raj; Trotter, James","Structure of a cyclopropapentalene photolysis product of a dibenzobarrelene ester lactone","Acta Crystallographica Section C","1994","50","2","281","283","10.1107/S0108270193008893","","","1.5418","CopperKα","","0.072","0.042","","0.065","0.065","","","","","1.96","1.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009439","9.6729","0.0003","10.5434","0.0003","7.3228","0.0002","99.85","0.003","109.361","0.002","98.229","0.003","677.96","0.04","294","","294","","","","","","","","","3","P 1","P 1","1","α- and β-Pipitzol (1:1)","α-Pipitzol: [3R-(3α,3aβ,7β,8aα)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione and β-Pipitzol: [3R-(3α,3aα,7α,8aβ)]-1,2,3,7,8,8a-hexahydro-5-hydroxy- 3,6,8,8-tetramethyl-4H-3a,7-methanoazulene-4,9-dione","","- C30 H40 O6 -","- C30 H40 O6 -","- C30 H40 O6 -","1","1","CD1061","Evans, Stephen V.; Yee, Vivien C.; Garcia-Garibay, Miguel; Trotter, James","Structure of a mixed crystal of α- and β-pipitzol (1:1), C~15~H~20~O~3~.C~15~H~20~O~3~","Acta Crystallographica Section C","1994","50","2","278","281","10.1107/S0108270193009060","","","1.5418","CuKα","","0.055","0.044","","0.054","0.054","","","","","2.3","2.3","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009440","7.845","0.001","8.16","0.001","16.84","0.001","90","","90","","90","","1078","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,5-Triethylperhydro-1,3,5-triazine-2,4,6-trione","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","1","CD1063","Hornish, Michael J.; Watt, William","1,3,5-Triethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione, C~9~H~15~N~3~O~3~","Acta Crystallographica Section C","1994","50","2","263","265","10.1107/S0108270193008212","","","1.5418","CuKα","","0.044","0.035","","0.081","0.078","","","","1.57","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009441","11.258","0.004","12.464","0.005","13.175","0.004","84.13","0.03","80.95","0.03","62.83","0.03","1623.3","1.1","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H48 Ba Cl2 N2 O12 -","- C22 H48 Ba Cl2 N2 O12 -","- C44 H96 Ba2 Cl4 N4 O24 -","2","1","CR1021","William A. Pettit; Norman C. Baenziger","Barium (cryptand 222B)Cl~2~.6H~2~O","Acta Crystallographica Section C","1994","50","2","221","224","10.1107/S0108270193009205","","","0.71073","MoKα","","","0.023","","","0.038","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009442","17.3557","0.0009","8.5626","0.0004","14.3847","0.0007","90","","112.686","0.002","90","","1972.32","0.17","292","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-ethoxycarbonylamino-6-methylpyridine N-oxide)copper(II)","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C72 H88 Cu4 N16 O24 -","4","1","CR1043","West, Douglas X.; Zaluzec, Eugene J.; Pavkovic, Stephen F.","Bis(2-ethoxycarbonylamino-6-methylpyridine <i>N</i>-oxide)copper(II)","Acta Crystallographica Section C","1994","50","2","173","175","10.1107/S0108270193009229","","","1.5418","CuKα","","","0.0628","","","0.0908","","","","","1.5361","1.5361","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2009443","14.664","0.006","6.319","0.001","19.44","0.007","90","","107.86","0.02","90","","1714.5","1","223","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-6,7:9,10-cis,cis-diepoxy-1-oxaspiro[4.5]decan-8-one","","- C9 H10 O5 -","- C9 H10 O5 -","- C72 H80 O40 -","8","2","CR1079","Haltiwanger, R. Curtis; Eggleston, Drake S.; McKillop, Andrew; Taylor, R.J.K.; Watson, R.J.; Lewis, Norman","Structure of a model for the aranorosin nucleus","Acta Crystallographica Section C","1994","50","2","274","276","10.1107/S0108270193009266","","","0.71073","MoKα","","","0.06","","","0.074","","","","","1.095","1.095","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009444","7.193","0.003","7.193","0.003","7.193","0.003","55.88","0.03","55.88","0.03","55.88","0.03","238","0.2","293","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","","","- S3 Yb2 -","- S3 Yb2 -","- S6 Yb4 -","2","0.166667","DU1006","El Fadli, Z.; Lemoine, P.; Guittard, M.; Tomas, A.","Structure du sulfur d'ytterbium, Yb~2~S~3~","Acta Crystallographica Section C","1994","50","2","166","168","10.1107/S0108270193006705","","","0.71069","MoKα","","","0.029","","","0.034","","","","","0.29","0.29","","","","","has coordinates","203910","2020-10-21","18:00:00",""
"2009445","7.652","0.007","10.481","0.005","11.076","0.006","67.37","0.04","71.67","0.06","75.93","0.06","770.7","1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cl2 N6 O S -","- C9 H18 Cl2 N6 O S -","- C18 H36 Cl4 N12 O2 S2 -","2","1","DU1034","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","Structure of 5-[(1-amidiniohydrazono)ethyl]-4-methyl-2-methylthio-3<i>H</i>^+^-pyrimidinium dichloride hydrate, C~19~H~16~N~6~S^2+^.2Cl^{-^}.H~2~O","Acta Crystallographica Section C","1994","50","2","286","289","10.1107/S0108270193006638","","","1.5418","CuKα","","","0.073","","","0.079","","","","","0.92","0.92","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009446","7.977","0.002","8.475","0.001","13.103","0.003","79.95","0.01","80.15","0.02","72.27","0.01","824.2","0.3","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl4 N3 O Pt -","- C14 H13 Cl4 N3 O Pt -","- C28 H26 Cl8 N6 O2 Pt2 -","2","1","DU1041","Viossat, B.; Nguyen-Huy, D.; Daran, J.C.; Lancelot, J.C.","Synthèse et structure du tétrachloroplatinate(II) de pyrido[2,3-<i>h</i>]pyrrolo[1,2-<i>a</i>]quinoxalinium monohydrate, [C~14~H~11~N~3~][PtCl~4~].H~2~O","Acta Crystallographica Section C","1994","50","2","209","211","10.1107/S0108270193006237","","","0.7107","MoKα","","","0.021","","","0.023","","","","","1.8","1.8","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009447","7.302","0.004","32.43","0.01","5.666","0.004","90","","103.43","0.02","90","","1305","1.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Cl N6 S -","- C10 H15 Cl N6 S -","- C40 H60 Cl4 N24 S4 -","4","1","DU1043","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","Structure of 2-methylthio-7,8-dihydroquinazolin-5(6<i>H</i>)-one amidinohydrazone hydrochloride, C~10~H~15~N~6~S^+^.Cl^{-^}","Acta Crystallographica Section C","1994","50","2","289","291","10.1107/S0108270193006626","","","1.5418","CuKα","","","0.0514","","","0.0525","","","","","3.1","3.1","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009448","15.388","0.008","3.6139","0.0003","10.088","0.004","90","","109.94","0.02","90","","527.4","0.4","293","","","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- Ag0.4 O5 V2 -","- Ag0.4 O4.83333 V2 -","- Ag2.4 O29 V12 -","6","0.75","DU1054","Déramond, E.; Savariault, J.-M.; Galy, J.","Silver insertion mode in β-Ag~<i>x~</i>V~2~O~5~ tunnel structure","Acta Crystallographica Section C","1994","50","2","164","166","10.1107/S0108270193007802","","","0.71069","MoKα","","","0.0447","","","0.0498","","","","","1.067","1.067","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009449","8.792","0.004","15.822","0.003","10.979","0.003","90","","106.23","0.02","90","","1466.4","0.8","153","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Fe O4 P2 -","- C34 H32 Fe O4 P2 -","- C68 H64 Fe2 O8 P4 -","2","0.5","DU1055","Munyejabo, V.; Postel, M.; Roustan, J.L.; Bensimon, C.","1,1'-Bis(diphenylphosphine oxide)ferrocene dihydrate","Acta Crystallographica Section C","1994","50","2","224","226","10.1107/S0108270193008273","","","0.71073","MoKα","","","0.04","","","0.023","","","","","3.15","3.15","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009450","7.134","0.003","20.971","0.006","7.635","0.002","90","","122.28","0.01","90","","965.7","0.6","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","trans-dichlorobis(metronidazole)palladium(II)","","- C12 H18 Cl2 N6 O6 Pd -","- C12 H18 Cl2 N6 O6 Pd -","- C24 H36 Cl4 N12 O12 Pd2 -","2","0.5","GR1010","De Bondt, Hendrik L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.","<i>trans</i>-Dichlorobis(metronidazole)palladium(II), [PdCl~2~(C~6~H~9~N~3~O~3~)~2~]","Acta Crystallographica Section C","1994","50","2","180","181","10.1107/S0108270193006882","","","0.71073","MoKα","","","0.031","","","0.034","","","","","1.252","1.252","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009451","23.184","0.007","6.17","0.01","7.409","0.009","90","","79.868","0.009","90","","1043","2","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C13 H8 F2 O -","- C13 H8 F2 O -","- C52 H32 F8 O4 -","4","0.5","HA1056","Maginn, S.J.; Davey, R.J.","4,4'-Difluorobenzophenone","Acta Crystallographica Section C","1994","50","2","254","255","10.1107/S0108270193007437","","","0.71069","MoKα","","","0.0465","","","0.0465","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009452","11.575","0.003","14.148","0.0013","17.132","0.003","77.97","0.01","70.28","0.02","70.56","0.01","2475.8","0.9","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O -","- C14 H20 O -","- C112 H160 O8 -","8","4","HH1071","Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.","The structures of <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-ol, <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-yl acetate and its corresponding <i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene and hexachlorocyclopentadiene","Acta Crystallographica Section C","1994","50","2","317","324","10.1107/S0108270193007061","","","0.71073","MoKα","","","0.063","","","0.066","","","","","2.839","2.839","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009453","8.8764","0.0004","18.1005","0.0014","8.9616","0.0005","90","","107.514","0.004","90","","1373.09","0.15","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O2 -","- C16 H25 O2 -","- C64 H100 O8 -","4","1","HH1071","Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.","The structures of <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-ol, <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-yl acetate and its corresponding <i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene and hexachlorocyclopentadiene","Acta Crystallographica Section C","1994","50","2","317","324","10.1107/S0108270193007061","","","0.71073","MoKα","","","0.064","","","0.055","","","","","2.299","2.299","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009454","12.9664","0.0009","11.3814","0.001","16.6962","0.0014","90","","105.549","0.006","90","","2373.8","0.3","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C23 H28 Cl4 O4 -","- C23 H28 Cl4 O4 -","- C92 H112 Cl16 O16 -","4","1","HH1071","Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.","The structures of <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-ol, <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-yl acetate and its corresponding <i>endo</i>-<i>endo</i>-<i>anti</i> Diels‒Alder adducts with 1,2,3,4-tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene and hexachlorocyclopentadiene","Acta Crystallographica Section C","1994","50","2","317","324","10.1107/S0108270193007061","","","0.71073","MoKα","","","0.039","","","0.039","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009455","13.0246","0.0006","10.7445","0.0006","16.8103","0.0009","90","","104.017","0.004","90","","2282.4","0.2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H22 Cl6 O2 -","- C21 H22 Cl6 O2 -","- C84 H88 Cl24 O8 -","4","1","HH1071","Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.","The structures of <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-ol, <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-yl acetate and its corresponding <i>endo</i>-<i>endo</i>-<i>anti</i> Diels‒Alder adducts with 1,2,3,4-tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene and hexachlorocyclopentadiene","Acta Crystallographica Section C","1994","50","2","317","324","10.1107/S0108270193007061","","","0.71073","MoKα","","","0.033","","","0.033","","","","","1.519","1.519","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009456","16.748","0.001","27.619","0.003","7.962","0.001","90","","90","","90","","3682.9","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H17 Cl O8 P2 -","- C14 H17 Cl O8 P2 -","- C112 H136 Cl8 O64 P16 -","8","1","HU1041","Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J.","2<i>H</i>-1-Benzopyrans. I. (<i>E</i>)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1994","50","2","284","286","10.1107/S0108270193010145","","","1.54178","Cu","","","0.049","","","0.0451","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009457","15.57","0.003","16.579","0.001","11.897","0.001","90","","90","","90","","3071","0.7","295","2","","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C13 H23 N O7 S -","- C13 H24 N O7 S0.5 -","- C104 H192 N8 O56 S4 -","8","1","HU1042","Olszak, T.A.; Grabowski, M.J.; Brzezińska, E.","Potential β-blockers. I. 2-<i>tert</i>-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinolinium sulfate dihydrate","Acta Crystallographica Section C","1994","50","2","283","284","10.1107/S0108270193010157","","","1.54178","CuKα","","","0.0434","","","0.042","","","","","1.08","1.08","","","","","has coordinates","208226","2020-10-21","18:00:00",""
"2009458","37.941","0.008","5","0.003","18.454","0.002","90","","118.01","0.03","90","","3091","2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-1,3-Dibenzoyl-2-trifluoromethylpropene","","- C18 H13 F3 O2 -","- C18 H13 F6 O2 -","- C144 H104 F48 O16 -","8","1","HU1059","Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","(<i>E</i>)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2<i>H</i>-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide","Acta Crystallographica Section C","1994","50","2","294","297","10.1107/S0108270193009047","","","0.71069","MoKα","","","0.0431","","","0.0245","","","","","2.461","2.461","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009459","11.201","0.005","19.601","0.004","8.368","0.003","90","","90","","90","","1837.2","1.1","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Benzoyl-2-hydroxy-6-phenyl-2,4-bis(trifluoromethyl)-α-pyran","","- C20 H12 F6 O3 -","- C20 H12 F6 O3 -","- C80 H48 F24 O12 -","4","1","HU1059","Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","(<i>E</i>)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2<i>H</i>-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide","Acta Crystallographica Section C","1994","50","2","294","297","10.1107/S0108270193009047","","","0.71069","MoKα","","","0.0445","","","0.0393","","","","","2.6","2.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009460","23.971","0.002","23.971","0.002","14.398","0.002","90","","90","","90","","8273.2","1.5","293","","","","","","","","","","","6","I 41/a","-I 4ad","","","","","- C7 H26 B18 Co N O2 -","- C7 H26 B18 Co N O2 -","- C112 H416 B288 Co16 N16 O32 -","16","","KA1022","Císařová, I.; Malý, K.; Hummel, L.","Bridged bis(dicarbadodecaborane)cobalt(III)","Acta Crystallographica Section C","1994","50","2","198","200","10.1107/S0108270193007127","","","0.71073","MoKα","","","0.051","","","0.064","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009461","15.829","0.004","10.29","0.003","8.529","0.005","90","","90","","90","","1389.2","1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","KA1033","Karolak-Wojciechowska, J.; Kieć-Kononowicz, K.","5,5-Diphenyl-1<i>H</i>,2<i>H</i>,5<i>H</i>-imidazo[1,2-<i>a</i>]imidazole-3,6-dione","Acta Crystallographica Section C","1994","50","2","300","302","10.1107/S0108270193008029","","","1.54178","CuKα","","","0.032","","","0.036","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009462","6.691","0.001","15.657","0.001","42.657","","90","","90","","90","","4468.8","0.7","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C26 H36 O2 -","- C26 H36 O2 -","- C208 H288 O16 -","8","2","KA1038","Stanković, S.; Miljković, D.; Medić-Mijačević, L.; Gaši, K.; Courseille, C.","17α-Benzyl-3β,17β-dihydroxy-5-androstene","Acta Crystallographica Section C","1994","50","2","312","314","10.1107/S0108270193007681","","","1.54247","CuKα","","","0.051","","","0.046","","","","","5.66","5.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009463","14.645","0.002","20.891","0.005","5.404","0.002","90","","90","","90","","1653.3","0.8","296","","296","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Trans-1,2,3-tris(3-thienoyl)cyclopropane","","- C18 H12 O3 S3 -","- C22 H9 O3 S4 -","- C88 H36 O12 S16 -","4","1","LI1065","Antonio Saba","Synthesis and structure of <i>trans</i>-1,2,3-tris(3-thenoyl)cyclopropane","Acta Crystallographica Section C","1994","50","2","271","274","10.1107/S0108270193008820","","","1.54178","X-rayCuKα","","","0.054","","","0.067","","","","","1.96","1.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009465","12.32","0.007","12.524","0.007","13.866","0.006","75.55","0.04","69.97","0.04","63.86","0.03","1792.1","1.7","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Cl2 N6 O4 -","- C44.5 H27 Cl2 N6 O4 -","- C89 H54 Cl4 N12 O8 -","2","1","MU1041","Dahal, S.; Nethaji, M.; Krishnan, V.","3,12-Dinitro-5,10,15,20-tetraphenylporphyrin – an example of a twisted intramolecular charge-transfer system","Acta Crystallographica Section C","1994","50","2","314","317","10.1107/S0108270193007826","","","0.71069","MoKα","","","0.075","","","0.077","","","","","2.7189","2.7189","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009466","12.148","0.012","18.36","0.007","14.815","0.004","90","","112.39","0.04","90","","3055","3","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O P Pd -","- C34 H33 N3 O P Pd -","- C136 H132 N12 O4 P4 Pd4 -","4","1","MU1045","Matt, D.; Guillemin, J.-C.; Ziessel, R.; Balegroune, F.; Grandjean, D.","Hybrid ligands. Structure of a palladium(II) complex containing a pyrazolol-derived phosphine ligand, [(<i>o</i>-C~6~H~4~CH~2~NMe~2~)Pd(Ph~2~P{ṟidge{Cḅ C(O)N(Ph)Nḅ C}{33mm}(Me)})]","Acta Crystallographica Section C","1994","50","2","193","195","10.1107/S010827019300664X","","","0.71073","Mo","","","0.033","","","0.053","","","","","1.16","1.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009467","5.215","0.004","5.223","0.003","11.935","0.006","79.06","0.04","87.52","0.05","85.15","0.06","317.9","0.3","300","2","298","2","","","","","","","","5","P -1","-P 1","2","","zinc(II) bis(phosphoglycolate) dihydrate","","- C4 H12 O14 P2 Zn -","- C4 H12 O14 P2 Zn -","- C4 H12 O14 P2 Zn -","1","0.5","MU1054","Lis, Tadeusz","Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate","Acta Crystallographica Section C","1994","50","2","181","185","10.1107/S0108270193007711","","","0.71069","MoKα","","","0.0327","","","0.0453","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009468","7.431","0.003","21.3","0.009","8.838","0.005","90","","90.42","0.04","90","","1398.8","1.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","calcium bis(phosphoglycolate) dihydrate","","- C4 H12 Ca O14 P2 -","- C4 H12 Ca O14 P2 -","- C16 H48 Ca4 O56 P8 -","4","1","MU1054","Lis, Tadeusz","Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate","Acta Crystallographica Section C","1994","50","2","181","185","10.1107/S0108270193007711","","","1.5418","CuKα","","","0.0418","","","0.0678","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009469","8.745","0.004","19.207","0.003","10.981","0.003","90","","92.23","0.03","90","","1843","1","133","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C19 H19 B F2 O6 -","- C19 H19 B F2 O6 -","- C76 H76 B4 F8 O24 -","4","1","MU1058","Stomberg, R.; Li, S.; Lundquist, K.","[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-<i>O</i>,<i>O</i>']difluoroboron(III)","Acta Crystallographica Section C","1994","50","2","214","217","10.1107/S0108270193007759","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009470","10.429","0.002","8.472","0.002","19.228","0.005","90","","99.96","0.02","90","","1673.3","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl6 O6 Sn2 -","- C28 H22 Cl6 O6 Sn2 -","- C56 H44 Cl12 O12 Sn4 -","2","0.5","MU1059","Alcock, N.W.; Roe, S.M.","Dimeric μ-hydroxy-diphenyl(trichloroacetato)tin","Acta Crystallographica Section C","1994","50","2","227","229","10.1107/S0108270193007760","","","0.71073","MoKα","","","0.046","","","0.062","","","","","1.21","1.21","","","","","has coordinates","198487","2020-10-21","18:00:00",""
"2009471","8.68","0.005","28.35","0.02","9.022","0.004","90","","99.81","0.04","90","","2188","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 I O3 Sn -","- C21 H21 I O3 Sn -","- C84 H84 I4 O12 Sn4 -","4","1","MU1066","Howie, R.A.; Ross, J.N.; Wardell, J.L.; Low, J.N.","Tris(2-methoxyphenyl)tin iodide","Acta Crystallographica Section C","1994","50","2","229","231","10.1107/S0108270193008297","","","0.71073","MoKα","","","0.064","","","0.058","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009472","8.831","0.002","11.955","0.002","10.834","0.002","90","","108.12","0.03","90","","1087.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(dimethyl sulfoxide)di-μ-fluoro-hexafluorodizirconium(IV)","","- C8 H24 F8 O4 S4 Zr2 -","- C4 H12 F4 O2 S2 Zr -","- C16 H48 F16 O8 S8 Zr4 -","4","1","MU1073","Alcock, Nathaniel W.; Errington, William; Golby, Sarah L.; Patterson, Siobhan M.C.; Wallbridge, Malcolm G.H.","Di-μ-fluoro-bis[bis(dimethyl sulfoxide)trifluorozirconium(IV)]","Acta Crystallographica Section C","1994","50","2","226","227","10.1107/S0108270193008054","","","0.71073","MoKα","","0.0661","0.0527","","0.1497","0.1497","","","","1.07","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009473","21.9907","0.0011","15.3069","0.001","17.0651","0.0008","90","","119.039","0.004","90","","5022.2","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(ferrocenylmethyl)triphenylphosphonium iodide","(ferrocenylmethyl)triphenylphosphonium iodide","","- C29 H26 Fe I P -","- C29 H26 Fe I P -","- C232 H208 Fe8 I8 P8 -","8","1","MU1077","Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F.","C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)","Acta Crystallographica Section C","1994","50","2","233","238","10.1107/S0108270193007929","","","0.71073","MolybdenumKα","","0.041","0.023","","0.036","0.034","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009474","10.2799","0.0008","13.0137","0.0007","19.3758","0.0011","105.137","0.005","98.049","0.006","107.414","0.006","2319.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)","1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)","","- C49 H44 Cl2 Fe I2 P2 -","- C49 H43.5 Cl2 Fe I2 P2 -","- C98 H87 Cl4 Fe2 I4 P4 -","2","1","MU1077","Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F.","C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)","Acta Crystallographica Section C","1994","50","2","233","238","10.1107/S0108270193007929","","","0.71073","MolybdenumKα","","0.067","0.032","","0.046","0.041","","","","","1.31","1.31","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009475","41.505","0.006","19.45","0.002","6.338","0.001","90","","90","","90","","5116.5","1.2","293","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C208 H256 N32 O48 -","16","1","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.029","","","0.032","","","","","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009476","36.05","0.005","4.943","0.001","19.793","0.003","90","","108.72","0.01","90","","3340.4","1","293","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C17 H18 N4 O3 -","- C8.5 H9 N2 O1.5 -","- C68 H72 N16 O12 -","8","2","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009477","9.398","0.001","18.422","0.002","12.663","0.001","90","","91.46","0.01","90","","2191.6","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N5 O5 -","- C21 H25 N5 O5 -","- C84 H100 N20 O20 -","4","2","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.034","","","0.041","","","","","0.7469","0.7469","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009478","23.92","0.008","5.593","0.002","16.028","0.009","90","","100.74","0.04","90","","2106.7","1.6","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","NA1045","Centore, R.","2-(4-Pentanoyloxyphenyl)-6-pentanoyloxybenzoxazole","Acta Crystallographica Section C","1994","50","2","260","263","10.1107/S010827019300678X","","","0.71069","MoKα(graphitemonochromated)","","","0.053","","","0.055","","","","","1.555","1.555","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009479","11.679","0.002","8.301","0.001","13.554","0.001","90","","91.97","0.02","90","","1313.2","0.3","292","","292","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-{[5-Phenyl-1,3,4(3H)-thiadiazin-2-yl]imino}-3-pyridinol","","- C14 H12 N4 O S -","- C14 H12 N4 O S -","- C56 H48 N16 O4 S4 -","4","1","NA1048","Josef Macíček; Olyana Angelova; Veneta Kalcheva; Madlena Tosheva","2-[(5-Phenyl-2,3-dihydro-6<i>H</i>-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol","Acta Crystallographica Section C","1994","50","2","252","254","10.1107/S0108270193011916","","","0.71073","MoKα","","0.114","0.034","","0.059","0.03","","","","2.171","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009480","16.768","0.006","8.958","0.003","17.243","0.004","90","","113.5","0.02","90","","2375.2","1.3","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O4 -","- C26 H31 N3 O4 -","- C104 H124 N12 O16 -","4","1","OH1017","Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.","Structure of OPC-21268","Acta Crystallographica Section C","1994","50","2","302","304","10.1107/S0108270193007358","","","0.7107","MoKα","","","0.043","","","0.049","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009481","7.404","0.001","5.591","0.001","87.662","0.009","90","","90","","90","","3628.8","0.9","296","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1030","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","245","247","10.1107/S010827019300736X","","","1.5418","CuKα","","","0.062","","","0.086","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009482","23.386","0.005","9.69","0.002","20.367","0.005","90","","114.94","0.02","90","","4185","1.8","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C44 H61 B F4 N4 -","- C44 H61 B F4 N4 -","- C176 H244 B4 F16 N16 -","4","1","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.06","","","0.055","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009483","20.81","0.01","15.03","0.01","13.88","0.01","90","","90","","90","","4341","5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C32 H62 B2 F8 N4 O8 -","- C32 H62 B2 F8 N4 O8 -","- C128 H248 B8 F32 N16 O32 -","4","1","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.108","","","0.096","","","","","3.04","3.04","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009484","9.973","0.001","20.718","0.003","7.541","0.002","90","","90","","90","","1558.1","0.5","293","","","","","","","","","","","4","P 21 21 2","P 2 2ab","","","","","- C30 H50 Br2 N4 -","- C30 H50 Br2 N4 -","- C60 H100 Br4 N8 -","2","0.5","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.06","","","0.068","","","","","2.18","2.18","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009485","17.243","0.003","17.873","0.002","14.156","0.002","90","","90","","90","","4362.7","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C44 H62 Br2 N4 -","- C44 H62 Br2 N4 -","- C176 H248 Br8 N16 -","4","1","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.099","","","0.112","","","","","5.83","5.83","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009486","11.096","0.002","17.308","0.003","10.526","0.002","90","","116.53","0.01","90","","1808.6","0.6","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Mo8 N4 O26 -","- C12 H40 Mo8 N4 O26 -","- C24 H80 Mo16 N8 O52 -","2","0.5","OH1037","Gutiérrez-Zorrilla, J.M.; Yamase, T.; Sugeta, M.","Tetrakis(isopropylammonium) β-octamolybdate(VI)","Acta Crystallographica Section C","1994","50","2","196","198","10.1107/S0108270193007371","","","0.71069","MoKα","","","0.0294","","","0.0329","","","","","4.82","4.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009487","7.359","0.001","5.609","0.001","88.41","0.01","90","","90","","90","","3649.3","0.9","286","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1038","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","247","250","10.1107/S0108270193007243","","","1.5418","CuKα","","","0.064","","","0.095","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009488","5.7238","0.0007","5.7238","0.0007","13.9649","0.0007","90","","90","","120","","396.22","0.07","296","","296","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba6 O18 Ti6 -","6","0.25","OH1053","Akimoto, J.; Gotoh, Y.; Oosawa, Y.","Refinement of hexagonal BaTiO~3~","Acta Crystallographica Section C","1994","50","2","160","161","10.1107/S0108270193008637","","","0.71069","MoKα","","0.043","0.037","","0.036","0.036","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009489","9.111","0.004","6.547","0.004","17.93","0.01","90","","98.8","0.05","90","","1056.9","1","293","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O4 S -","- C9 H10 N2 O4 S -","- C36 H40 N8 O16 S4 -","4","1","PA1040","Viossat, B.; Nguyen-Huy, D.; Tomas, A.; Esanu, A.; Rolland, A.","Structure du 5-méthyl-2-thioxo-1,2,3,4-tétrahydro-7<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidine-4,7-dione méthanol solvaté, C~8~H~6~N~2~O~3~S.CH~4~O","Acta Crystallographica Section C","1994","50","2","269","271","10.1107/S0108270193003592","","","0.7107","MoKα","","","0.056","","","0.042","","","","","2.02","2.02","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009490","9.62","0.003","11.051","0.002","13.017","0.003","113.1","0.04","96.8","0.03","90.26","0.02","1262","0.7","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Mo6 O19 S8 -","- C40 H32 Mo6 O19 S8 -","- C40 H32 Mo6 O19 S8 -","1","0.5","PA1043","Triki, S.; Ouahab, L.; Fabre, J.M.","3,3'-Dimethyl-4,4'-diphenyl-2,2',5,5'-tetrathiafulvalenium hexamolybdate, 2(C~20~H~16~S~4~^+^)[Mo~6~O~19~]^2{-^}","Acta Crystallographica Section C","1994","50","2","219","221","10.1107/S0108270193007292","","","0.71073","MoKα","","","0.028","","","0.037","","","","","0.855","0.855","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009491","14.81","0.005","15.61","0.004","19.757","0.006","90","","90","","90","","4568","2","293","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H19 Cl2 Co N3 -","- C26 H19 Cl2 Co N3 -","- C208 H152 Cl16 Co8 N24 -","8","1","PA1052","Viossat, B.; Nguyen-Huy, Dung; Lehuede, J.; Vierfond, J.M.","Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1<i>H</i>-pyrrole-<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section C","1994","50","2","211","214","10.1107/S0108270193007309","","","0.7107","MoKα","","","0.048","","","0.052","","","","","1.1","1.1","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009492","12.188","0.002","16.518","0.003","5.908","0.001","90","","102.57","0.01","90","","1160.9","0.3","293","","293","","","","","","","","","6","I 1 m 1","I -2y","8","","Disodium Bis(chloranilato)uranyl(VI) Hexahydrate","","- C12 H12 Cl4 Na2 O16 U -","- C12 H12 Cl4 Na2 O16 U -","- C24 H24 Cl8 Na4 O32 U2 -","2","0.5","SE1025","Bram, Andreas; Bruederl, Georg; Burzlaff, Hans; Lange, Joachim; Rothammel, Walter; Spengler, Roland; Karayannis, M.I.; Veltsistas, P.G.","Disodium bis(<i>o</i>-chloranilato)uranyl(VI) hexahydrate","Acta Crystallographica Section C","1994","50","2","178","180","10.1107/S0108270193011680","","","0.7093","MoKα~1~","","","0.016","","","0.019","","","","","1.76","1.76","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009493","8.116","0.002","11.246","0.003","17.243","0.003","90","","101.49","0.01","90","","1542.3","0.6","293","","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra(N-methylimidazol)-kupfer(II)-bis(triiodid)","","- C16 H24 Cu I6 N8 -","- C16 H24 Cu I6 N8 -","- C32 H48 Cu2 I12 N16 -","2","0.5","SE1026","Tebbe, Karl-Friedrich; Nafepour, Shida","Tetra(<i>N</i>-methylimidazol)-kupfer(II)-bis(triiodid) [Cu(C~4~H~6~N~2~)~4~](I~3~)~2~","Acta Crystallographica Section C","1994","50","2","171","173","10.1107/S0108270193007140","","","0.71069","MoKα","","0.0394","0.0296","","0.0335","0.0292","","","","3.048","3.171","3.171","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2009494","8.848","0.003","16.139","0.003","16.465","0.004","90","","103.64","0.02","90","","2284.9","1.1","291","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 S3 Sn -","- C22 H19 N3 S3 Sn -","- C88 H76 N12 S12 Sn4 -","4","1","SH1055","Schürmann, M.; Huber, F.","Tris(2-pyridinethiolato)(<i>p</i>-tolyl)tin(IV), [Sn(C~5~H~4~NS)~3~(C~7~H~7~)]","Acta Crystallographica Section C","1994","50","2","206","209","10.1107/S0108270193007310","","","0.71073","MoKα","","","0.0485","","","0.0393","","","","","0.6","0.6","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009495","10.342","0.002","24.358","0.002","25.962","0.005","90","","96.358","0.009","90","","6499.9","1.9","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C76 H72 B O2 P4 Tc -","- C76 H68 B O2 P4 Tc -","- C304 H272 B4 O8 P16 Tc4 -","4","1","SH1056","Hübener, R.; Abram, U.; Hiller, W.","<i>trans</i>-Bisaquabis[1,2-bis(diphenylphosphino)ethane]technetium(I) tetraphenylborate","Acta Crystallographica Section C","1994","50","2","188","190","10.1107/S0108270193006791","","","1.54056","CuKα","","","0.068","","","0.073","","","","","3.943","3.943","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009496","17.723","0.003","15.126","0.003","14.796","0.003","90","","90","","90","","3966.5","1.3","221","3","221","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2'-bipyridyl meso-oxolane-3,4-diolato(2-) palladium(II) 6.5-hydrate","","- C14 H27 N2 O9.5 Pd -","- C14 H27 N2 O9.5 Pd -","- C112 H216 N16 O76 Pd8 -","8","1","SH1065","Achternbosch, Matthias; Klüfers, Peter","Polyol metal complexes. V. Structure of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')[<i>meso</i>-oxolane-3,4-diolato(2‒)-κ^2^<i>O</i>,<i>O</i>']palladium(II) 6.5-hydrate","Acta Crystallographica Section C","1994","50","2","175","178","10.1107/S0108270193007322","","","0.71069","MoKα","","0.0539","0.0266","","0.0704","0.0618","","","","1.046","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009497","10.904","0.001","10.3686","0.0008","13.887","0.002","90","","102.132","0.007","90","","1535","0.3","251","","251","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","","- C18 H24 O -","- C18 H24 O -","- C72 H96 O4 -","4","1","SH1068","De Ridder, Dirk J.A.; Goubitz, Kees; Schenk, Henk","Crystal studies of musk compounds. V. Structure of 1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","Acta Crystallographica Section C","1994","50","2","265","267","10.1107/S0108270193006821","","","1.5418","CuKα","","0.057","0.057","","0.067","0.067","","","","0.14","0.14","0.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009498","7.737","0.002","18.634","0.002","5.911","0.002","90","","97.67","0.02","90","","844.6","0.4","296","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Ca2 O13 -","- C14 H16 Ca2 O14 -","- C28 H32 Ca4 O28 -","2","0.25","ST1060","Fitzgerald, L.J.; Gerkin, R.E.","Dicalcium 1,4,5,8-naphthalenetetracarboxylate pentahydrate","Acta Crystallographica Section C","1994","50","2","185","188","10.1107/S0108270193006092","","","0.71073","MoKᾱ","","","0.024","","","0.033","","","","","1.502","1.502","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009499","13.325","0.002","17.26","0.002","7.114","0.001","90","","90","","90","","1636.1","0.4","120","1","120","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethylene-1,2-bis(η^5^-2-indenyl)titanium (IV) dichloride","","- C20 H16 Cl2 Ti -","- C20 H16 Cl2 Ti -","- C80 H64 Cl8 Ti4 -","4","0.5","ST1073","Parkin, Sean; Hitchcock, Shawn R.; Hope, Hakon; Nantz, Michael H.","2,2'-Ethylenebis(η^5^-indenyl)TiCl~2~","Acta Crystallographica Section C","1994","50","2","169","171","10.1107/S0108270193007851","","","1.54178","CuKα","","0.0436","0.0415","","0.0946","0.0939","","","","1.191","1.198","1.198","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009500","4.9983","0.0007","4.9983","0.0007","25.502","0.005","90","","90","","90","","637.12","0.18","295","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- Ba3 S7 Zr2 -","- Ba3 S7 Zr2 -","- Ba6 S14 Zr4 -","2","0.0625","ST1076","Chen, Bai-Hao; Eichhorn, Bryan; Wong-Ng, Winnie","Structural reinvestigation of Ba~3~Zr~2~S~7~ by single-crystal X-ray diffraction","Acta Crystallographica Section C","1994","50","2","161","164","10.1107/S0108270193008972","","","0.71073","MoKα","","","0.054","","","0.063","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009501","9.306","0.002","9.184","0.002","18.506","0.004","90","0.02","103.19","0.02","90","0.02","1539.9","0.6","294","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 -","- C20 H30 -","- C80 H120 -","4","0.5","ST1078","Mielke, Karsten; Fry, James L.; Finnen, Daniel C.; Pinkerton, A. Alan","2,2'-Biadamantane","Acta Crystallographica Section C","1994","50","2","267","269","10.1107/S0108270193008170","","","0.71073","MoKα","","","0.037","","","0.05","","","","","1.514","1.514","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2009502","8.651","0.004","19.133","0.019","10.832","0.006","90","","99.76","0.04","90","","1767","2","295","","","","","","","","","","","5","P 1 21 1","","","","","","- C35 H43 N2 O9 P -","- C36 H48 N2 O9 P -","- C72 H96 N4 O18 P2 -","2","1","ST1082","Capron, Mark A.; McEldoon, Wenkui L.; Baenziger, Norman C.; Wiemer, David F.","Structure of a modified nucleoside, 3'α-diethylphosphono-3'β-hydroxy-5'-<i>O</i>-tritylthymidine","Acta Crystallographica Section C","1994","50","2","291","294","10.1107/S0108270193008662","","","0.71073","MoKα","","","0.066","","","0.097","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009503","6.502","0.008","9.682","0.005","28.629","0.003","90","","90","","90","","1802","2","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C16 H28 N4 O3 -","- C16 H28 N4 O3 -","- C64 H112 N16 O12 -","4","1","VJ1000","Di Blasio, B.; Nastri, F.; Saviano, M.; Benedetti, E.; Crisma, M.; Toniolo, C.; Johnson, R.L.","Structure of the tripeptide amide H-<small>L</small>-Pro-<small>L</small>-Leu-<small>L</small>-Pro-NH~2~, a dopamine receptor modulating agent","Acta Crystallographica Section C","1994","50","2","250","252","10.1107/S0108270193006808","","","1.5418","CuKα","","","0.042","","","0.043","","","","","0.672","0.672","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009504","11.592","0.001","8.031","0.002","15.597","0.001","90","","109.32","0.02","90","","1370.2","0.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H34 O11 -","- C29 H34 O11 -","- C58 H68 O22 -","2","1","AB1044","Sekar, K.; Parthasarathy, S.; Mathuram, V.","Structure of trijugin A","Acta Crystallographica Section C","1994","50","3","460","462","10.1107/S0108270193008431","","","1.5418","CuKα","","","0.042","","","0.05","","","","","1.089","1.089","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009505","8.952","0.005","21.979","0.004","15.709","0.003","90","","90","","90","","3090.8","1.9","293","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C144 H120 N8 O24 S8 -","8","1","AB1076","Hökelek, T.; Patir, S.; Gülce, A.; Okay, G.","Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane","Acta Crystallographica Section C","1994","50","3","450","453","10.1107/S0108270193007516","","","0.71069","MoKα","","","0.033","","","0.032","","","","","","","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009506","9.715","0.002","6.721","0.002","19.854","0.008","90","","91.29","0.03","90","","1296","0.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H15 N S2 -","- C14 H15 N S2 -","- C56 H60 N4 S8 -","4","1","AB1076","Hökelek, T.; Patir, S.; Gülce, A.; Okay, G.","Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane","Acta Crystallographica Section C","1994","50","3","450","453","10.1107/S0108270193007516","","","1.5418","CuKα","","","0.054","","","0.067","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009507","11.933","0.002","16.4","0.003","9.471","0.003","92.2","0.02","118.15","0.02","93.85","0.03","1625.4","0.7","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl9 N6 O P6 -","- C14 H20 Cl9 N6 O P6 -","- C28 H40 Cl18 N12 O2 P12 -","2","1","AB1081","Hökelek, T.; Kiliç, Z.; Kiliç, A.","2-(2,6-Di-<i>tert</i>-butylphenoxy)-2',4,4,4',4',6,6,6',6'-nonachloro-2,2'-bi(cyclotri-λ^5^-phosphazene)","Acta Crystallographica Section C","1994","50","3","453","456","10.1107/S0108270193008443","","","1.5418","CuKα","","","0.061","","","0.069","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009508","10.0464","0.0008","5.8561","0.0004","14.8215","0.0013","90","","103.629","0.012","90","","847.44","0.12","30","","30","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Tripotassium hydrogenbis(selenate)","","- H K3 O8 Se2 -","- H2 K3 O8 Se2 -","- H8 K12 O32 Se8 -","4","0.5","AB1083","Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar","K~3~H(SeO~4~)~2~ at 297 and 30 K","Acta Crystallographica Section C","1994","50","3","330","332","10.1107/S0108270193009709","","","0.71073","MoKα","","0.0557","0.0549","","","0.0648","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009509","10.1325","0.0005","5.9042","0.0003","14.962","0.0007","90","","103.638","0.007","90","","869.85","0.08","297","","297","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Tripotassium hydrogenbis(selenate)","","- H K3 O8 Se2 -","- H2 K3 O8 Se2 -","- H8 K12 O32 Se8 -","4","0.5","AB1083","Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar","K~3~H(SeO~4~)~2~ at 297 and 30 K","Acta Crystallographica Section C","1994","50","3","330","332","10.1107/S0108270193009709","","","0.71073","MoKα","","","0.0855","","","0.0561","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009510","11.6712","0.001","18.4964","0.001","15.406","0.001","90","","113.66","0.01","90","","3046.2","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-biquinoline)chloro(2,2':6',2""-terpyridine)ruthenium(II)","","- C33 H23 Cl F6 N5 P Ru -","- C33 H23 Cl F6 N5 P Ru -","- C132 H92 Cl4 F24 N20 P4 Ru4 -","4","1","AB1107","Spek, Anthony L.; Gerli, Alessandra; Reedijk, Jan","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')chloro(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluorophosphate, [RuCl(C~18~H~12~N~2~)(C~15~H~11~N~3~)][PF~6~]","Acta Crystallographica Section C","1994","50","3","394","397","10.1107/S0108270193010236","","","0.71073","MoKα","","","0.067","","","0.066","","","","","3.79","3.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009511","19.646","0.002","6.149","0.001","11.466","0.002","90","","95.25","0.01","90","","1379.3","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-t-Butyl-(t-butylamino)-2-methylidene)-3-pyrrolidinone","","- C13 H24 N2 O -","- C13 H24 N2 O -","- C52 H96 N8 O4 -","4","1","AB1111","Spek, Anthony L.; Janssen, Maurits D.; Wissing, Elmo; Van Koten, G.","1-<i>tert</i>-Butyl-2-(<i>tert</i>-butylaminomethylidene)-3-pyrrolidinone, C~13~H~24~N~2~O","Acta Crystallographica Section C","1994","50","3","410","411","10.1107/S0108270193010248","","","0.71073","MoKα","","","0.0555","","","0.0478","","","","","0.62","0.62","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009512","11.282","0.004","18.801","0.004","20.592","0.006","90","","94.19","0.03","90","","4356","2","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 F6 Ir N O9 P2 -","- C40 H50 F6 Ir N O9 P2 -","- C160 H200 F24 Ir4 N4 O36 P8 -","4","1","AL1063","Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.; Al-Juaid, S.S.","An iridium complex of tris(2,4,6-trimethoxyphenyl)phosphine","Acta Crystallographica Section C","1994","50","3","356","358","10.1107/S0108270193009424","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009513","24.842","0.005","22.471","0.004","24.656","0.005","90","","111.16","0.03","90","","12836","5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexakis(2,4,6-tris(trifluoromethyl)phenyl)-cyclotristannoxane","","- C54 H12 F54 O3 Sn3 -","- C54 H12 F54 O3 Sn3 -","- C432 H96 F432 O24 Sn24 -","8","2","AL1066","Van der Maelen Uría, Juan F.; Belay, Maekele; Edelmann, Frank T.; Sheldrick, George M.","{Hexakis[2,4,6-tris(trifluoromethyl)phenyl]cyclotristannoxane}~2~","Acta Crystallographica Section C","1994","50","3","403","407","10.1107/S0108270193008455","","","0.71073","MoKα","","0.0594","0.0456","","0.1227","0.1141","","","","1.035","1.074","1.074","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009514","9.507","0.002","9.865","0.002","13.262","0.003","98.774","0.014","93.82","0.02","97.97","0.02","1212.5","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(N,N,N',N'-tetrakis(pyrazol-1ylmethyl)-1,2-diaminoethane)-disilver(I) dinitrate ?","","- C18 H24 Ag2 N12 O6 -","- C18 H24 Ag2 N12 O6 -","- C36 H48 Ag4 N24 O12 -","2","1","AL1072","Clegg, William; Cooper, Paul J.; Lockhart, Joyce C.; Rushton, David J.","A binuclear silver complex of a tetrapyrazolyl ligand","Acta Crystallographica Section C","1994","50","3","383","386","10.1107/S0108270193009400","","","0.71073","MoKα","","0.0536","0.0399","","0.1138","0.0945","","","","1.072","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009515","12.434","0.002","10.244","0.002","11.134","0.002","90","","100.851","0.014","90","","1392.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br Cl2 O2 -","- C13 H13 Br Cl2 O2 -","- C52 H52 Br4 Cl8 O8 -","4","1","AL1073","Brown, Philip E.; Clegg, William; Steele, John E.","Structure of a cyclopropachromene","Acta Crystallographica Section C","1994","50","3","424","425","10.1107/S0108270193009436","","","1.54184","CuKα","","0.0426","0.0414","","0.1213","0.1196","","","","1.105","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009516","3.4185","0.0001","3.4185","0.0001","25.463","0.003","90","","90","","120","","257.7","0.03","295","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- Fe Lu O4 Zn -","- Fe Lu O4 Zn -","- Fe3 Lu3 O12 Zn3 -","3","","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009517","3.3406","0.0001","3.3406","0.0001","32.51","0.02","90","","90","","120","","314.19","0.19","295","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Fe Lu O7 Zn4 -","- Fe0.5 Lu O7 Zn4.5 -","- Fe Lu2 O14 Zn9 -","2","0.0833333","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.05","","","0.057","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009518","3.3291","0.0001","3.3291","0.0001","56.56","0.02","90","","90","","120","","542.87","0.19","295","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- Fe Lu O8 Zn5 -","- Fe Lu O8 Zn5 -","- Fe3 Lu3 O24 Zn15 -","3","","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.046","","","0.053","","","","","4.2","4.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009519","15.773","0.009","12.402","0.015","12.989","0.006","90","","102.72","0.06","90","","2479","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C36 H55 N8 O8 S2 -","- C37 H52 N8 O11 S2 -","- C74 H104 N16 O22 S4 -","2","0.5","AS1063","In, Y.; Doi, M.; Inoue, M.; Ishida, T.; Hamada, Y.; Shioiri, T.","Patellamide A, a cytotoxic cyclic peptide from the ascidian <i>Lissoclinum patella</i>","Acta Crystallographica Section C","1994","50","3","432","434","10.1107/S010827019300811X","","","1.5418","CuKα","","","0.064","","","0.088","","","","","0.7885","0.7885","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009520","12.945","0.002","20.212","0.004","12.882","0.003","98.5","0.02","102.19","0.02","101.11","0.02","3169.7","1.2","296","","296","","","","","","","","","5","P -1","-P 1","2","Hexasodium Trihydrogen Decatungstosamarate Octacosahydrate","","","- H59 Na6 O64 Sm W10 -","- Na6 O64 Sm W10 -","- Na12 O128 Sm2 W20 -","2","1","AS1081","Ozeki, Tomoji; Yamase, Toshihiro","Hexasodium trihydrogen decatungstosamarate octacosahydrate","Acta Crystallographica Section C","1994","50","3","327","330","10.1107/S0108270193009965","","","0.71069","MoKα","","","0.049","","","0.06","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009521","8.413","0.005","16.859","0.008","19.184","0.003","94.08","0.04","96.59","0.04","91.44","0.04","2695","2","225","","","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H66 Cl3 D I2 Sn2 -","- C55 H47 Cl3 D I2 Sn2 -","- C110 H94 Cl6 D2 I4 Sn4 -","2","1","BR1044","Simard, M.G.; Wharf, I.","Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide","Acta Crystallographica Section C","1994","50","3","397","403","10.1107/S0108270193008935","","","0.71073","MoKᾱ","","","0.045","","","0.052","","","","","3","3","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009522","8.6431","0.0013","16.823","0.002","19.97","0.002","77.738","0.011","84.234","0.011","89.421","0.012","2822.9","0.6","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H74 I2 Sn2 -","- C68 H82 I2 Sn2 -","- C136 H164 I4 Sn4 -","2","1","BR1044","Simard, M.G.; Wharf, I.","Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide","Acta Crystallographica Section C","1994","50","3","397","403","10.1107/S0108270193008935","","","","MoKᾱ","","","0.068","","","0.079","","","","","2.28","2.28","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009523","9.8737","0.0012","9.9216","0.0016","18.799","0.003","83.928","0.014","78.372","0.012","76.748","0.011","1752.3","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 I Sn -","- C18 H15 I Sn -","- C72 H60 I4 Sn4 -","4","2","BR1044","Simard, M.G.; Wharf, I.","Comparison of the structures of two trimesityltin iodide solvates and triphenyltin iodide","Acta Crystallographica Section C","1994","50","3","397","403","10.1107/S0108270193008935","","","1.54108","CuKᾱ","","","0.037","","","0.039","","","","","1.62","1.62","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009524","9.805","0.006","19.88","0.006","13.353","0.003","90","","124.48","0.03","90","","2145.6","1.5","295","","","","","","","","","","","5","P 21/c","-P 2ybc","","","","","- C21 H21 I O3 Sn -","","","4","","","Simard, M. G.; Wharf, I.","A Comparison of the Structures of Two Trimesityltin Iodide Solvates and Triphenyltin Iodide","Acta Crystallographica Section C","1994","50","3","397","403","10.1107/S0108270193008935","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"2009525","8.1","0.002","31.729","0.005","7.848","0.003","90","","90","","90","","2017","1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","BR1057","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","3","415","417","10.1107/S0108270193010054","","","1.5418","CopperKα","","0.061","0.04","","0.057","0.056","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009526","6.6289","0.0005","12.5448","0.0014","49.81","0.004","90","","90.068","0.006","90","","4142.1","0.6","294","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20R,23S,24R)-5α-dinosteran-29-ol","","- C30 H54 O -","- C30 H53 O -","- C180 H318 O6 -","6","3","CR1061","Brock, Carolyn Pratt; Stoilov, Ivan; Watt, David S.","A steroid derivative that crystallizes with three molecules in the asymmetric unit","Acta Crystallographica Section C","1994","50","3","434","438","10.1107/S0108270193009230","","","0.7107","MoKα","","","0.075","","","0.068","","","","","2.62","2.62","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009527","20.935","0.003","22.391","0.003","9.756","0.003","90","","90","","90","","4573.2","1.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C23 H20 Br3 N3 O2 -","- C23 H20 Br3 N3 O2 -","- C184 H160 Br24 N24 O16 -","8","1","CR1063","Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan","The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde","Acta Crystallographica Section C","1994","50","3","445","447","10.1107/S0108270193006894","","","0.71069","MoKα","","","0.083","","","0.0895","","","","","0.9352","0.9352","","","","","has coordinates","191096","2020-10-21","18:00:00",""
"2009528","8.866","0.001","9.534","0.001","9.245","0.001","90","","92.92","0.01","90","","780.45","0.15","296","","296","","","","","","","","","5","P 1 21 1","","","","(4aR,8R,SR)-4a-Hydroxy-8-(p-tolylsulfinyl)- 2,3,4,4a,5,6,7,8-octahydroquinoline","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C32 H42 N2 O4 S2 -","2","1","CR1077","Robinson, Paul D.; Hua, Duy H.; Wang, Hui; Chen, Jin Shan; Good, Linda A.","(4a<i>R</i>,8<i>R</i>,S<i>R</i>)-8-(<i>p</i>-Tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol","Acta Crystallographica Section C","1994","50","3","425","428","10.1107/S0108270193009321","","","0.71069","MoKα","","","0.03","","","0.035","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009529","10.689","0.001","17.448","0.003","8.976","0.001","90","","90","","90","","1674","0.4","296","","296","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","bis(4-methoxyphenylmethyine)carbonic dihydrazide","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C68 H72 N16 O12 -","4","0.5","CR1083","Kolb, Vera M.; Robinson, Paul D.; Meyers, Cal Y.","Intermolecular hydrogen-bonded structure of bis(4-methoxyphenylmethine)carbonohydrazide","Acta Crystallographica Section C","1994","50","3","417","419","10.1107/S0108270193010078","","","0.71069","MoKα","","","0.045","","","0.057","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009530","14.02","0.03","14.02","0.03","12.47","0.03","90","","90","","90","","2451","9","297","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C16 H41 Cl4 Cu N2 O0.5 -","- C16 H41 Cl4 Cu N2 O0.5 -","- C64 H164 Cl16 Cu4 N8 O2 -","4","0.5","DU1030","Mahoui, A.; Lapasset, J.; Moret, J.","Structure du bis(tétraéthylammonium)tétrachlorocuprate(II) hémihydrate, [(C~2~H~5~)~4~N]~2~[CuCl~4~].0,5H~2~O","Acta Crystallographica Section C","1994","50","3","358","362","10.1107/S0108270193007280","","","1.5418","Cu","","","0.0573","","","0.0595","","","","","1.689","1.689","","","","","has coordinates,has disorder","206021","2020-10-21","18:00:00",""
"2009531","9.004","0.008","12.584","0.003","12.798","0.007","69.07","0.04","69.82","0.06","86.08","0.04","1268.8","1.5","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl4 Hg4 N O6 -","- C15 H19 Cl4 Hg4 N O6 -","- C30 H38 Cl8 Hg8 N2 O12 -","2","1","DU1049","Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.","Structure d'un dérivé dimercuré de l'acétoacétate d'éthyle, [Hg~2~(C~6~H~8~O~3~)Cl~2~]~2~.CH~3~CN","Acta Crystallographica Section C","1994","50","3","365","367","10.1107/S0108270193009333","","","0.71069","MoKᾱ","","","0.0292","","","0.032","","","","","1.75","1.75","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009532","7.974","0.004","11.96","0.004","16.482","0.008","90","","90","","90","","1571.9","1.2","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","HA1064","Beddoes, R.L.; Gorman, A.A.; Prescott, A.L.","Structure of neostrychnine. An enamine with a bridgehead nitrogen which undergoes efficient chemical reaction with singlet oxygen","Acta Crystallographica Section C","1994","50","3","447","450","10.1107/S0108270193008807","","","0.71069","MoKα","","","0.068","","","0.044","","","","","1.787","1.787","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009533","9.821","0.002","12.576","0.003","15.068","0.005","104.63","0.02","97.21","0.02","105.98","0.02","1692.6","0.8","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 F6 Ir N O3 P2 -","- C34 H38 F6 Ir N O3 P2 -","- C68 H76 F12 Ir2 N2 O6 P4 -","2","1","HA1067","Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.","An iridium complex of tris(4-methoxyphenyl)phosphine","Acta Crystallographica Section C","1994","50","3","354","356","10.1107/S0108270193008819","","","0.71069","MoKα","","","0.033","","","0.04","","","","","1.2","1.2","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009534","9.1175","0.0011","12.3971","0.0014","15.5602","0.0016","90","","92.068","0.009","90","","1757.6","0.3","183","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl3 N3 V -","- C15 H15 Cl3 N3 V -","- C60 H60 Cl12 N12 V4 -","4","1","HH1032","Sorensen, K.L.; Ziller, J.W.; Doherty, N.M.","<i>mer</i>-Trichlorotris(pyridine)vanadium(III)","Acta Crystallographica Section C","1994","50","3","407","409","10.1107/S0108270193005268","","","0.71073","MoKα","","","0.052","","","0.053","","","","","1.19","1.19","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009535","8.693","0.0005","12.3768","0.0009","12.4624","0.0009","90","","90","","90","","1340.85","0.16","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C13 H20 Br N O2 -","- C13 H20 Br N O2 -","- C52 H80 Br4 N4 O8 -","4","1","HH1076","Garcia, J.G.; Fronczek, F.R.; Gandour, R.D.","2-Hydroxy-4,4-dimethyl-2-(2-methylphenyl)morpholinium bromide, C~13~H~20~NO~2~^+^.Br^{-^}","Acta Crystallographica Section C","1994","50","3","430","432","10.1107/S0108270193006559","","","0.71073","MoKα","","","0.037","","","0.037","","","","","1.549","1.549","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009536","19.044","0.005","5.794","0.002","12.494","0.003","90","","115.28","0.02","90","","1246.6","0.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","HL1035","Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H.","<i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane","Acta Crystallographica Section C","1994","50","3","438","442","10.1107/S0108270193008121","","","0.71073","MoKα","","","0.046","","","0.043","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009537","17.702","0.006","5.72","0.002","12.725","0.004","90","","104.58","0.03","90","","1247","0.7","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","HL1035","Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H.","<i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane","Acta Crystallographica Section C","1994","50","3","438","442","10.1107/S0108270193008121","","","0.71073","MoKα","","","0.031","","","0.048","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009538","11.441","0.004","16.666","0.001","10.251","0.003","90","","115.34","0.01","90","","1766.6","0.8","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O9 S -","- C36 H37 N3 O9 S -","- C72 H74 N6 O18 S2 -","2","1","HU1040","Dianez, M.J.; Estrada, M.D.; Perez-Garrido, S.; Lopez-Castro, A.","3-[(2<i>R</i>,3<i>R</i>)-3-(4-Dimethylaminophenyl)-2-phenyl-2,3-epithiopropanoyl]-1-phenyl-(3,5,6-tri-<i>O</i>-acetyl-1,2-dideoxy-α-<small>D</small>-glucofuranoso)[1,2-<i>d</i>]imidazolidin-2-one","Acta Crystallographica Section C","1994","50","3","442","444","10.1107/S0108270193010133","","","0.7107","MoKα","","","0.04","","","0.04","","","","","1.16","1.16","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009539","15.995","0.005","12.958","0.007","9.732","0.004","90","","90","","90","","2017.1","1.5","298","","","","","","","","","","","5","P n 21 a","P -2ac -2n","","","","","- C12 H9 O10 Os3 P -","- C14 O10 Os3 P -","- C56 O40 Os12 P4 -","4","1","HU1044","Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.","A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands","Acta Crystallographica Section C","1994","50","3","371","375","10.1107/S010827019300767X","","","0.71073","MoKα","","","0.0444","","","0.0477","","","","","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009540","8.86","0.003","16.408","0.011","13.779","0.011","90","","103.4","0.06","90","","1949","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C12 H7 O10 Os3 P -","- C12 O10 Os3 P -","- C48 O40 Os12 P4 -","4","1","HU1044","Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.","A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands","Acta Crystallographica Section C","1994","50","3","371","375","10.1107/S010827019300767X","","","0.71073","MoKα","","","0.0376","","","0.0524","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009541","17.108","0.004","14.229","0.004","14.485","0.009","90","","90","","90","","3526","3","298","","","","","","","","","","","5","P c a b","-P 2ab 2ac","","","","","- C10 H5 O9 Os3 P -","- C10 O9 Os3 P -","- C80 O72 Os24 P8 -","8","1","HU1044","Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.","A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands","Acta Crystallographica Section C","1994","50","3","371","375","10.1107/S010827019300767X","","","0.71073","MoKα","","","0.043","","","0.0526","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009542","11.903","0.002","20.019","0.004","21.64","0.003","90","","90","","90","","5156.5","1.5","291","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C52 H51 F15 N P Pt -","- C52 H45 F15 N P Pt -","- C208 H180 F60 N4 P4 Pt4 -","4","1","HU1049","Ara, I.; Milagros, T.","Tetra-<i>n</i>-butylammonium tris(perfluorophenyl)(triphenylphosphine)platinate(II)","Acta Crystallographica Section C","1994","50","3","375","377","10.1107/S0108270193008649","","","0.71069","MoKα","","","0.0391","","","0.0411","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009543","11.364","0.002","16.452","0.003","18.609","0.004","90","","90","","90","","3479.1","1.2","290","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C168 H160 N16 -","8","2","HU1054","Alcock, N.W.; Blacker, N.C.; Errington, W.; Wallbridge, M.G.H.","<i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~","Acta Crystallographica Section C","1994","50","3","456","458","10.1107/S0108270193009035","","","0.71073","MoKα","","","0.051","","","0.07","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009544","18.938","0.004","7.112","0.001","16.205","0.003","90","","90.91","0.03","90","","2182.3","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C23 H20 Br N5 O2 -","- C23 H20 Br N5 O2 -","- C92 H80 Br4 N20 O8 -","4","1","KA1041","Gł ówka, M.L.; Oł ubek, Z.","2'-Bromo-4-[<i>N</i>-(2-cyanoethyl)-<i>N</i>-(2-phenylethyl)]amino-4'-nitroazobenzene","Acta Crystallographica Section C","1994","50","3","458","460","10.1107/S0108270193007954","","","1.54178","CuKα","","","0.063","","","0.082","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009545","11.495","0.005","11.815","0.005","18.4","0.01","83.09","0.05","76.79","0.05","77","0.03","2364","2","291","","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 Ce N15 O24 -","- C33 Ce N15 O24 -","- C66 Ce2 N30 O48 -","2","1","LI1055","Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R.","Cerium(III) and neodymium(III) picrate complexes with tetramethylurea","Acta Crystallographica Section C","1994","50","3","351","354","10.1107/S0108270193008765","","","1.54056","CuKα","","","0.0703","","","0.0745","","","","","1.77","1.77","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009546","18.913","0.005","12.386","0.005","22.134","0.005","90","","112.2","0.05","90","","4801","3","291","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C33 H42 N15 Nd O24 -","- C33 N15 Nd O24 -","- C132 N60 Nd4 O96 -","4","1","LI1055","Barberato, C.; Castellano, E.E.; Vicentini, G.; Isolani, P.C.; Lima, M.I.R.","Cerium(III) and neodymium(III) picrate complexes with tetramethylurea","Acta Crystallographica Section C","1994","50","3","351","354","10.1107/S0108270193008765","","","1.54056","CuKα","","","0.06","","","0.0642","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009547","9.2228","0.0008","11.7012","0.0008","9.8752","0.0009","90","","90","","90","","1065.71","0.15","293","","","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C18 H28 Cd Cl2 N6 -","- C18 H28 Cd Cl2 N6 -","- C36 H56 Cd2 Cl4 N12 -","2","0.5","LI1057","Castro, J.A.; Romero, J.; Garcia-Vazquez, J.A.; Macias, A.; Sousa, A.; Englert, U.","Dichloro[5,8-dimethyl-1,12-di-2-pyrrolyl-2,5,8,11-tetraaza-1,11-dodecadiene-<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^11^]cadmium(II)","Acta Crystallographica Section C","1994","50","3","369","371","10.1107/S0108270193007577","","","1.5406","CuKα","","","0.042","","","0.049","","","","","1.15","1.15","","","","","has coordinates","198527","2020-10-21","18:00:00",""
"2009548","18.084","0.005","18.084","0.005","18.084","0.005","90","","90","","90","","5914","3","298","","","","","","","","","","","3","F -4 3 m","F -4 2 3","","","","","- Fe Ni Zn6.5 -","- Fe1.00364 Zn6.47273 -","- Fe55.2 Zn356 -","55","0.572917","MU1047","Lidin, S.; Jacob, M.; Larsson, A.-K.","(Fe,Ni)Zn~6.5~, a superstructure of γ-brass","Acta Crystallographica Section C","1994","50","3","340","342","10.1107/S0108270193008650","","","0.71069","MoKα","","","0.041","","","0.057","","","","","1.3162","1.3162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009549","13.516","0.007","13.516","0.007","10.353","0.005","90","","90","","90","","1891.3","1.7","296","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C12 H56 B4 P4 Zr2 -","- C12 H56 B4 P4 Zr2 -","- C24 H112 B8 P8 Zr4 -","2","0.25","MU1053","Mayo, S.C.; Brown, M.; Lloyd, V.K.","A zirconium polyhydride dimer, [Zr~2~H~4~(BH~4~)~4~(PMe~3~)~4~]","Acta Crystallographica Section C","1994","50","3","367","369","10.1107/S0108270193008042","","","0.71073","MoKα","","","0.062","","","0.054","","","","","1.82","1.82","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2009550","9.3226","0.0006","14.301","0.001","15.042","0.001","90","","90","","90","","2005.4","0.2","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H22 Cl N7 O6 -","- C16 H22 Cl N7 O6 -","- C64 H88 Cl4 N28 O24 -","4","1","MU1060","Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.","Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines","Acta Crystallographica Section C","1994","50","3","466","469","10.1107/S0108270193007838","","","0.71069","MoKα","","","0.032","","","0.04","","","","","0.584","0.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009551","11.4371","0.0008","17.879","0.001","12.7762","0.0009","90","","109.406","0.006","90","","2464.1","0.3","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C23 H21 Cl N8 O6 -","- C23 H21 Cl N8 O6 -","- C92 H84 Cl4 N32 O24 -","4","1","MU1060","Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.","Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines","Acta Crystallographica Section C","1994","50","3","466","469","10.1107/S0108270193007838","","","0.71069","MoKα","","","0.038","","","0.05","","","","","0.998","0.998","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009552","9.157","0.001","12.264","0.001","18.163","0.002","90","","90","","90","","2039.7","0.4","292","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C96 H84 N12 O4 -","4","1","NA1035","Bruno, G.; Nicolo, F.; Foti, F.; Grassi, G.; Risitano, F.; Munno, G.De.","Synthesis of <i>N</i>-benzoyl-1,3-imidazole oximes. Structure of C~24~H~21~N~3~O","Acta Crystallographica Section C","1994","50","3","428","430","10.1107/S0108270193007085","","","0.71073","MoKα","","","0.048","","","0.056","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009553","5.984","0.002","11.703","0.004","12.559","0.004","90","","99.11","0.02","90","","868.4","0.5","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxamide","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","PA1037","Gourdon, André; Lainé, Philippe","Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~","Acta Crystallographica Section C","1994","50","3","414","415","10.1107/S0108270193002021","","","0.71069","MoKα","","","0.04","","","0.039","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009554","7.74","0.01","7.94","0.02","9.02","0.01","100.7","0.1","94.5","0.1","115.8","0.1","482.4","1.6","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl4 Cu N4 S2 -","- C10 H24 Cl4 Cu N4 S2 -","- C10 H24 Cl4 Cu N4 S2 -","1","0.5","PA1051","Viossat, B.; Nguyen-Huy, Dung.; Lancelot, J.C.","Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). I. Structure du tétrachlorocuprate(II) de <i>S</i>,<i>S</i>'-(octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1994","50","3","362","364","10.1107/S0108270193007395","","","0.7107","MoKα","","","0.041","","","0.046","","","","","3.4","3.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009555","11.224","0.004","8.88","0.003","11.046","0.004","101.66","0.04","99.69","0.04","125.71","0.04","816.8","0.8","293","","293","","","","","","","","","3","P -1","-P 1","2","","Ethyl (2E,4E,6E)-7-(6-methyl-2H-1-benzopyran-3-yl)hepta-2,4,6-trienoate nom chimique (2E,4E,6E)-7-(6-méthyl-2H-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","PA1072","Leger, Jean Michel; Carpy, Alain; Belachmi, Larbi; Leblois, Daniéle; Le Baut, Guillaume","(2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-(6-Méthyl-2<i>H</i>-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle","Acta Crystallographica Section C","1994","50","3","419","421","10.1107/S0108270193010364","","","1.5418","CuKα","","","0.053","","","0.08","","","","","0.362","0.362","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009556","3.6974","0.0009","3.6974","0.0009","9.508","0.002","90","","90","","90","","129.98","0.05","295","","","","","","","","","","","3","P 4/n m m","-P 4a 2a","","","","","- Si Te Zr -","- Si Te Zr -","- Si2 Te2 Zr2 -","2","","SE1027","Bensch, W.; Dürichen, P.","Structure of the layer compound ZrSiTe","Acta Crystallographica Section C","1994","50","3","346","348","10.1107/S0108270193008303","","","0.7107","MoKα","","","","","","","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009557","25.365","0.003","14.985","0.002","12.315","0.002","90","","90","","90","","4680.9","1.1","292","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr3 H32 K3 O51 Si -","- Cr3 K3 O51 Si W9 -","- Cr12 K12 O204 Si4 W36 -","4","0.5","SE1029","Wassermann, K.; Lunk, H.-J.; Palm, R.; Fuchs, J.","A novel triply chromium(III)-substituted keggin anion, [<i>A</i>-α-SiO~4~W~9~Cr~3~(OH~2~)~3~O~33~]^7{‒^}","Acta Crystallographica Section C","1994","50","3","348","350","10.1107/S0108270193008601","","","0.71069","MoKα","","","0.063","","","0.063","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009558","9.523","0.002","12.849","0.003","17.079","0.003","90","","92.67","0.03","90","","2087.5","0.8","291","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N6 S3 Sn -","- C16 H18 N6 S3 Sn -","- C64 H72 N24 S12 Sn4 -","4","2","SE1034","Schmiedgen, R.; Huber, F.; Schürmann, M.","<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV)","Acta Crystallographica Section C","1994","50","3","391","394","10.1107/S0108270193008315","","","0.71073","MoKα","","","0.0293","","","0.0231","","","","","0.75","0.75","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009559","7.52","0.002","11.857","0.004","10.925","0.002","90","","108.83","0.02","90","","922","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Difluorophenylxenon(II)-tetrafluoroborate","","- C6 H3 B F6 Xe -","- C6 H3 B F6 Xe -","- C24 H12 B4 F24 Xe4 -","4","1","SE1035","Gilles, Theo; Gnann, Robert; Naumann, Dieter; Tebbe, Karl-Friedrich","2,6-Difluorphenylxenon(II)-tetrafluoroborat","Acta Crystallographica Section C","1994","50","3","411","413","10.1107/S0108270193009898","","","0.71069","MoKα","","0.0436","0.0369","","0.0355","0.0351","","","","3.7047","3.9635","3.9635","","","","","has coordinates","255773","2020-10-21","18:00:00",""
"2009560","22.156","0.006","8.979","0.002","15.897","0.003","90","0.01","112.52","0.02","90","0.01","2921.4","1.2","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","di-μ-iodocyclohexylphosphanido-bis-tetracarbonylrhenium","","- C20 H22 I2 O8 P2 Re2 -","- C20 H22 I2 O8 P2 Re2 -","- C80 H88 I8 O32 P8 Re8 -","4","0.5","SE1036","Flörke, Ulrich; Haupt, Hans-Jürgen","Unexpected Re~2~P~2~ ring deformation in bis[μ-cyclohexyl(iodo)phosphido-κ<i>P</i>]bis(tetracarbonylrhenium), [Re~2~(C~6~H~11~IP)~2~(CO)~8~]","Acta Crystallographica Section C","1994","50","3","378","380","10.1107/S0108270193009904","","","0.71073","MolybdenumKα","","","0.045","","","0.041","","","","","1.868","1.868","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2009561","7.2198","0.0007","7.2198","0.0007","4.2329","0.0007","90","","90","","120","","191.08","0.04","295","","","","","","","","","","","3","P -6 2 m","P -6 -2","","","","","- Al Ce Pd -","- Al Ce Pd -","- Al3 Ce3 Pd3 -","3","0.25","SH1059","Xue, B.; Schwer, H.; Hulliger, F.","Structure of CePdAl","Acta Crystallographica Section C","1994","50","3","338","340","10.1107/S0108270193007632","","","0.71073","MoKα","","","0.042","","","0.113","","","","","1.857","1.857","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009562","7.135","0.002","7.946","0.004","9.039","0.001","109.25","0.03","99.62","0.02","104.44","0.02","450.8","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cd N10 O12 -","- C10 H12 Cd N10 O12 -","- C10 H12 Cd N10 O12 -","1","0.5","SH1062","Hänggi, G.; Schmalle, H.; Dubler, E.","Cd(alloxanthine)~2~(NO~3~)~2~(H~2~O)~2~","Acta Crystallographica Section C","1994","50","3","388","391","10.1107/S0108270193008832","","","0.71073","MoKα","","","0.033","","","0.039","","","","","0.535","0.535","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009563","9.225","0.002","10.141","0.003","20.198","0.004","98.65","0.01","98.34","0.01","101.7","0.01","1798.9","0.8","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 O4 S -","- C19 H22 O4 S -","- C76 H88 O16 S4 -","4","2","SH1064","Raabe, G.; Sawicki, M.; Frauenrath, H.","<i>trans</i>-2-Phenyltetrahydropyran-3-ylmethyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1994","50","3","462","466","10.1107/S0108270193008406","","","0.71069","MoKα","","","0.053","","","0.056","","","","","2.738","2.738","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009564","5.486","0.001","5.486","0.001","17.574","0.003","90","","90","","120","","458.05","0.14","295","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","","","","","- Co2 K2 O9 Se3 -","- Co2 K2 O9 Se4 -","- Co4 K4 O18 Se8 -","2","0.0833333","SH1067","Wildner, M.","Structure of K~2~Co~2~(SeO~3~)~3~","Acta Crystallographica Section C","1994","50","3","336","338","10.1107/S0108270193008479","","","0.71073","MoKα","","","0.038","","","0.034","","","","","4.12","4.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009565","11.099","0.003","15.2","0.004","4.416","0.002","95.23","0.03","96.84","0.03","93.74","0.02","734.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C28 H24 N8 O8 S2 -","2","1","SH1074","Linden, Anthony; Heimgartner, Heinz; García Trimiño, Maria Isabel; Macías Cabrera, Arturo","5-Nitropyrimidines from 3,3-diamino(2-nitro)thioacrylamides. Structure of 6-(2-furfurylamino)-2-(2-furyl)-4-methylthio-5-nitropyrimidine","Acta Crystallographica Section C","1994","50","3","421","424","10.1107/S0108270193008558","","","0.71069","MoKα","","0.1009","0.0456","","0.0486","0.0427","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009566","8.8281","0.0011","8.8281","0.0011","9.104","0.002","90","","90","","120","","614.47","0.17","108","","","","","","","","","","","4","R 3","R 3","","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","","ST1056","Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.","Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}","Acta Crystallographica Section C","1994","50","3","342","346","10.1107/S0108270193008169","","","1.54178","CuKα","","","0.0209","","","0.0255","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009567","8.868","0.002","8.868","0.002","9.15","0.002","90","","90","","120","","623.2","0.2","293","","","","","","","","","","","4","R 3","R 3","","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","","ST1056","Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.","Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}","Acta Crystallographica Section C","1994","50","3","342","346","10.1107/S0108270193008169","","neutron","1.063","Neutron(Cu[220])","","","0.041","","","0.023","","","","","2.77","2.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009568","14.053","0.003","10.781","0.005","21.406","0.005","90","","102.84","0.02","90","","3162","1.8","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Fe N3 O4 -","- C38 H39 Fe N3 O4 -","- C152 H156 Fe4 N12 O16 -","4","1","ST1080","Vencato, Ivo; Neves, Ademir; Vincent, Beverly R.; Erasmus-Buhr, Claudia; Haase, Wolfgang","Synthesis and structure of the new complex Et~3~NH[Fe(tben)]","Acta Crystallographica Section C","1994","50","3","386","388","10.1107/S0108270193009758","","","0.71069","MoKα","","","0.047","","","0.058","","","","","1.31","1.31","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009569","12.363","0.015","13.134","0.014","13.584","0.012","65.57","0.07","64.92","0.08","65.18","0.08","1737","4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Cu2 N9 O2 S -","- C39 H28 Cu2 N9 O2 S -","- C78 H56 Cu4 N18 O4 S2 -","2","1","VS1008","Potočňák, I.; Dunaj-Jurčo, M.; Kabešová, M.; Mikloš, D.; Kettmann, V.","Bis(1,10-phenanthroline)copper(II)-μ-cyano-cyano(1,10-phenanthroline)copper(I) thiocyanate dihydrate","Acta Crystallographica Section C","1994","50","3","380","383","10.1107/S0108270193008327","","","0.71069","MoKα","","","0.046","","","0.052","","","","","0.46","0.46","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009570","9.997","0.002","10.347","0.002","12.68","0.001","90","","90","","90","","1311.6","0.4","105","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 N2 O5 -","- C10 H22 N2 O5 -","- C40 H88 N8 O20 -","4","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.041","","","0.043","","","","","0.696","0.696","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009571","6.228","0.001","6.819","0.001","7.494","0.001","95.42","0.02","99.48","0.01","108.99","0.01","293.07","0.08","122","","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C9 H19 N O7 -","1","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.053","","","0.074","","","","","1.797","1.797","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009572","21.438","0.003","8.161","0.001","21.655","0.006","90","","109.98","0.02","90","","3560.6","1.3","295","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C128 H208 N16 O32 -","8","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.041","","","0.061","","","","","1.331","1.331","","","","","has coordinates","198526","2020-10-21","18:00:00",""
"2009573","7.951","0.002","10.6133","0.0009","23.421","0.004","90","","90","","90","","1976.4","0.6","105","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N2 O6 -","- C18 H32 N2 O6 -","- C72 H128 N8 O24 -","4","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.031","","","0.039","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009574","20.182","0.006","9.062","0.003","24.028","0.006","90","","90.79","0.02","90","","4394","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C37 H26 Au Co3 O11 P2 Ru -","- C37 H26 Au Cl6 Co3 O11 P2 Ru -","- C148 H104 Au4 Cl24 Co12 O44 P8 Ru4 -","4","1","AB1078","Kakkonen, H. J.; Ahlgrèn, M.; Pakkanen, T. A.; Pursiainen, J.","[AuCo~3~Ru(C~8~H~11~P)(C~18~H~15~P)(CO)~11~].1/2CH~2~Cl~2~","Acta Crystallographica Section C","1994","50","4","528","530","10.1107/S0108270193009710","","","0.71073","MoKα","","","0.05","","","0.058","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009575","10.521","0.001","18.425","0.003","18.449","0.002","90","","90","","90","","3576.3","0.8","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H16 Cl2 N8 Zn -","- C14 H16 Cl2 N8 Zn -","- C112 H128 Cl16 N64 Zn8 -","8","1","AB1080","Salas, J.M.; Romero, M.A.; Rahmani, A.; Faure, R.","Dichlorobis(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1994","50","4","510","512","10.1107/S0108270193009448","","","0.7107","MoKα","","","0.026","","","0.027","","","","","1.5","1.5","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009576","8.526","0.003","10.856","0.004","14.448","0.004","90","","106.48","0.05","90","","1282.3","0.8","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 O P -","- C14 H15 O P -","- C56 H60 O4 P4 -","4","1","AB1090","Orama, O.; Koskinen, J.T.","Ethyldiphenylphosphine oxide, (C~6~H~5~)~2~(C~2~H~5~)PO","Acta Crystallographica Section C","1994","50","4","608","609","10.1107/S0108270193009722","","","0.71069","MoKα","","","0.039","","","0.043","","","","","1.61","1.61","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009577","9.794","0.002","9.614","0.002","13.105","0.002","90","","107.74","0.02","90","","1175.3","0.4","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 B20 Si2 -","- C8 H32 B20 Si2 -","- C16 H64 B40 Si4 -","2","0.5","AB1091","Kivekäs, R.; Romerosa, A.; Viñas, C.","1,1';2,2'-Bis-μ-dimethylsilyl-bis[1,2-dicarba-<i>closo</i>-dodecaborane(12)], C~8~H~32~B~20~Si~2~","Acta Crystallographica Section C","1994","50","4","638","640","10.1107/S0108270193009734","","","0.71069","MoKα","","","0.062","","","0.053","","","","","2.64","2.64","","","","","has coordinates","198487","2020-10-21","18:00:00",""
"2009578","6.5051","0.0011","6.8828","0.0018","16.681","0.003","86.036","0.016","79.892","0.018","75.458","0.018","711.5","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","tricarbonyl(η^6^-phenyltrimethylsilane)molybdenum","tricarbonyl(η^6^-phenyltrimethylsilane)molybdenum","","- C12 H14 Mo O3 Si -","- C12 H14 Mo O3 Si -","- C24 H28 Mo2 O6 Si2 -","2","1","AB1152","Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.","Tricarbonyl(η^6^-trimethylphenylsilane)molybdenum","Acta Crystallographica Section C","1994","50","4","491","493","10.1107/S0108270194000831","","","0.71067","MoKα","","0.061","0.053","","0.076","0.075","","","","","1.92","1.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009579","14.556","0.002","11.759","0.002","9.473","0.002","90","","104.1","0.2","90","","1572.6","1.5","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","(Z)-Aib-Gly-L-Ile-L-Leu-OMe_monohydrate","N^α^-benzyloxycarbonyl-α-aminoisobutyryl-glycyl-L-isoleucyl- L-leucine methyl ester monohydrate","","- C27 H44 N4 O8 -","- C27 H44 N4 O8 -","- C54 H88 N8 O16 -","2","1","AD1000","Crisma, Marco; Valle, Giovanni; Monaco, Vania; Formaggio, Fernando; Toniolo, Claudio","<i>N</i>^{α^}-Benzyloxycarbonyl-α-aminoisobutyrylglycyl-<small>L</small>-isoleucyl-<small>L</small>-leucine methyl ester monohydrate","Acta Crystallographica Section C","1994","50","4","563","565","10.1107/S0108270193010595","","","0.7107","MoKα","","","0.045","","","0.049","","","","","0.892","0.892","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009580","12.341","0.002","19.58","0.002","11.464","0.003","90","","113.5","0.02","90","","2540.4","0.9","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C54 H50 Au2 Cl2 N2 P4 -","- C54 H50 Au2 Cl2 N2 P4 -","- C108 H100 Au4 Cl4 N4 P8 -","2","0.5","AL1054","Liou, L.-S.; Liu, C.-P.; Wang, J.-C.","The monoclinic phase [Au~2~(C~25~H~22~P~2~)~2~]Cl~2~.2CH~3~CN","Acta Crystallographica Section C","1994","50","4","538","540","10.1107/S0108270193009308","","","0.71073","MoKα","","","0.0362","","","0.0433","","","","","0.61","0.61","","","","","has coordinates","189125","2020-10-21","18:00:00",""
"2009581","13.608","0.008","8.998","0.006","15.334","0.008","90","","118.61","0.04","90","","1648.3","1.8","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S6 Zn -","- C10 H10 N2 S6 Zn -","- C40 H40 N8 S24 Zn4 -","4","0.5","AL1062","Li, Hongjun; Du, Shaowu; Wu, Xintao","(Hexasulfanediyl)di(pyridine-<i>N</i>)zinc","Acta Crystallographica Section C","1994","50","4","498","500","10.1107/S0108270193010868","","","0.71069","MoKα","","","0.05","","","0.059","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009582","13.844","0.004","25.734","0.01","9.59","0.002","90","","107.58","0.02","90","","3257","1.8","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C36 H42 N2 O4 Yb -","- C36 H42 N2 O4 Yb -","- C144 H168 N8 O16 Yb4 -","4","1","AL1064","Abrahams, C.T.; Deacon, G.B.; Gatehouse, B.M.; Ward, G.N.","<i>cis</i>-Bis(9-carbazolyl)(1,2-dimethoxyethane)-<i>cis</i>-bis(tetrahydrofuran)ytterbium(II)","Acta Crystallographica Section C","1994","50","4","504","507","10.1107/S010827019300931X","","","0.7107","MoKᾱ","","","0.0775","","","0.0626","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009583","14.599","0.001","14.919","0.004","18.756","0.003","90","","90","","90","","4085.1","1.3","298","3","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C11 H29 Cl2 Cu N5 O8 -","- C11 H29 Cl2 Cu N5 O8 -","- C88 H232 Cl16 Cu8 N40 O64 -","8","1","AS1059","Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.","[(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-κ^5^<i>N</i>^2,5,8,12,15^]copper(II) diperchlorate","Acta Crystallographica Section C","1994","50","4","514","516","10.1107/S0108270193009783","","","0.7107","MoKα","","","0.062","","","0.058","","","","","0.95","0.95","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2009584","8.491","0.004","14.679","0.004","16.827","0.003","90","","90","","90","","2097.3","1.2","298","3","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H30 Cl2 N4 Ni O8 -","- C12 H30 Cl2 N4 Ni O8 -","- C48 H120 Cl8 N16 Ni4 O32 -","4","1","AS1060","Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","[(4<i>RS</i>,7<i>SR</i>,11<i>RS</i>)-4,12-Dimethyl-4,7,11-triazatridecylamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate","Acta Crystallographica Section C","1994","50","4","516","518","10.1107/S0108270193009795","","","0.71073","MoKα","","","0.055","","","0.054","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009585","13.297","0.001","13.804","0.001","10.136","0.001","90","","91.05","0.01","90","","1860.2","0.3","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 Cu N4 O8 -","- C10 H26 Cl2 Cu N4 O13 -","- C40 H104 Cl8 Cu4 N16 O52 -","4","1","AS1066","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","(5,5-Dimethyl-4,7-diazadecane-1,10-diamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(perchlorato-<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","1994","50","4","512","514","10.1107/S010827019300959X","","","0.7107","MoKα","","","0.039","","","0.039","","","","","0.54","0.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009586","8.743","0.002","9.656","0.001","12.088","0.003","89.66","0.02","77.03","0.02","73.28","0.01","950.5","0.4","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl2 Cu N4 O8 -","- C12 H28 Cl2 Cu N4 O8 -","- C24 H56 Cl4 Cu2 N8 O16 -","2","1","AS1069","Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","[<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)-<i>trans</i>-1,2-cyclohexanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']di(perchlorato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1994","50","4","518","520","10.1107/S0108270193010005","","","0.7093","MoKα","","","0.032","","","0.032","","","","","0.53","0.53","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009587","6.79","0.001","17.238","0.001","12.464","0.001","90","","91.14","0.01","90","","1458.6","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cd N6 Ni -","- C14 H8 Cd0.5 N6 Ni0.5 -","- C56 H32 Cd2 N24 Ni2 -","4","0.5","AS1078","Hashimoto, Masato; Iwamoto, Toschitake","Cd(2,2'-bipyridine-<i>N</i>,<i>N</i>')Ni(CN)~4~, a highly bent close two-dimensional network of [Cd-{(NC)Ni~1/4~}~4~]~<i>n~</i>","Acta Crystallographica Section C","1994","50","4","496","498","10.1107/S0108270193011126","","","0.71069","MoKα","","","0.036","","","0.041","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009588","8.287","0.001","15.228","0.002","7.679","0.001","104.8","0.02","109.75","0.02","93.23","0.02","870.9","0.3","296","","","","","","","","","","","3","P -1","-P 1","2","","endo-(1R^*^,9R^*^,10R^*^)-9,10-Dimethoxy-12,15,15- trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","AS1082","Takenaka, Yasuyuki; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Furukawa, Takashi; Horiguchi, Yoshiaki; Kuwajima, Isao","<i>endo</i>-(1<i>R</i>*,9<i>R</i>*,10<i>R</i>*)-9,10-Dimethoxy-12,15,15-trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione","Acta Crystallographica Section C","1994","50","4","556","558","10.1107/S0108270193010637","","","0.7107","MoKα","","","0.058","","","0.046","","","","","5.15","5.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009589","5.52","0.001","8.391","0.002","13.083","0.003","90","","90.9","0.02","90","","605.9","0.2","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 Co O7 Sr -","- As2 Co O7 Sr -","- As8 Co4 O28 Sr4 -","4","1","BR1042","Horng, J.-C.; Wang, S.-L.","Strontium cobalt(II) diarsenate","Acta Crystallographica Section C","1994","50","4","488","490","10.1107/S0108270193009680","","","0.71073","MoKα","","","0.0268","","","0.0284","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009590","25.3136","0.0015","6.0161","0.0007","11.3754","0.0012","90","","90","","90","","1732.3","0.3","298","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C6 H12 N2 Pt -","- C6 H6 N2 Pt -","- C48 H48 N16 Pt8 -","8","1","BR1043","Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.","Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)","Acta Crystallographica Section C","1994","50","4","533","536","10.1107/S010827019301025X","","","1.54184","CuKα","","","0.0239","","","0.025","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009591","26.584","0.002","6.062","0.001","11.318","0.001","90","","108.038","0.007","90","","1734.3","0.4","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C6 H12 N2 Pt -","- C6 H6 N2 Pt -","- C48 H48 N16 Pt8 -","8","1","BR1043","Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.","Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)","Acta Crystallographica Section C","1994","50","4","533","536","10.1107/S010827019301025X","","","0.71073","MoKα","","","0.0703","","","0.0715","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009592","4.965","0.001","18.692","0.004","9.15","0.001","90","","96.1","0.02","90","","844.4","0.3","150","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N6 O7 -","- C10 H22 Cu N6 O7 -","- C20 H44 Cu2 N12 O14 -","2","1","BR1046","Parvez, M.; Birdsall, W. J.","Diamminebis[5-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)dionato(1‒)-<i>N</i>^3^]copper(II) trihydrate","Acta Crystallographica Section C","1994","50","4","540","542","10.1107/S0108270193009886","","","0.71069","MoKα","","","0.049","","","0.051","","","","","2.28","2.28","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009593","8.0269","0.0003","8.0269","0.0003","8.0269","0.0003","90","","90","","90","","517.18","0.03","298","2","298","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","lithuim chloro beryllophosphate sodalite","Tetralithium chloro tecto-trikis(beryllatophosphate)","","- Be3 Cl Li4 O12 P3 -","- Be3 Cl Li4 O12 P3 -","- Be6 Cl2 Li8 O24 P6 -","2","0.0833333","BR1052","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~","Acta Crystallographica Section C","1994","50","4","471","473","10.1107/S0108270193009692","","","","CopperKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009594","8.23685","0.00008","8.23685","0.00008","8.23685","0.00008","90","","90","","90","","558.835","0.009","298","2","298","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","lithuim chloro berylloarsenate sodalite","Tetralithium chloro tecto-trikis(beryllatoarsenate)","","- As3 Be3 Cl Li4 O12 -","- As3 Be3 Cl Li4 O12 -","- As6 Be6 Cl2 Li8 O24 -","2","0.0833333","BR1052","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~","Acta Crystallographica Section C","1994","50","4","471","473","10.1107/S0108270193009692","","","","CopperKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009595","4.524","0.002","8.526","0.004","6.64","0.003","90","","102.59","0.03","90","","250","0.2","298","","298","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","β-dicobalt diphosphate","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co4 O14 P4 -","2","0.25","BR1056","El Belghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M.","β-Dicobalt pyrophosphate","Acta Crystallographica Section C","1994","50","4","482","484","10.1107/S010827019301100X","","","0.71069","MoKα","","","0.057","","","0.073","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009596","11.638","0.003","13.684","0.003","14.235","0.005","88.9","0.02","77.46","0.02","78.77","0.02","2169.9","1.1","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 Cl4 O6 S6 -","- C39 H32 Cl7 O6 S6 -","- C78 H64 Cl14 O12 S12 -","2","1","CD1049","Pang, L.; Hynes, R. C.; Whitehead, M. A.","Tris(5-acetyl-3-thienyl)methane–tetrachloromethane (2/1) inclusion compound","Acta Crystallographica Section C","1994","50","4","615","617","10.1107/S0108270193009072","","","0.7093","MoKα","","","0.058","","","0.058","","","","","1.81","1.81","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009597","29.368","0.001","13.378","0.002","13.186","0.002","90","","111.52","0.01","90","","4819.4","1.1","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 3,8-diphenyl-2a,2b,8b,8c-tetrahydrocyclopropa[cd] pentaleno[1,2-b]naphthalene-2a,8c-dicarboxylate OR Dimethyl 1',4'-diphenylnaphtho[2,3-f]tricyclo[3.3.0.0^2,8^]octa- 3,6-dien-1,2-dicarboxylate","","- C32 H24 O4 -","- C32 H24 O4 -","- C256 H192 O32 -","8","1","CD1057","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","The photolysis product of dimethyl 9,10-diphenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","4","581","583","10.1107/S0108270193010807","","","1.5418","CopperKα","","0.175","0.068","","0.102","0.088","","","","","2.3","2.3","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009598","9.772","0.001","11.034","0.002","8.174","0.001","92.58","0.01","111.5","0.01","97.96","0.01","807.7","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","Methyl 2-benzoyl-1,4-dihydro-1,4-ethenonaphthalene-3-carboxylate","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","CD1059","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin","An ethenonaphthalene and one of its photolysis products","Acta Crystallographica Section C","1994","50","4","578","581","10.1107/S0108270193010819","","","1.5418","CuKα","","0.053","0.042","","0.092","0.08","","","","","2.7","2.7","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009599","33.023","0.002","11.21","0.001","8.637","0.002","90","","90","","90","","3197.3","0.8","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 6c-benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd] pentalene-6b-carboxylate OR Methyl 1-benzoylbenzo[f]tricyclo[3.3.0.0^2,8^]octa-3,6-dien- 5-carboxylate OR Methyl 3-benzoyltetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca- 1(8),5,9,11-tetraen-7-carboxylate","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","CD1059","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin","An ethenonaphthalene and one of its photolysis products","Acta Crystallographica Section C","1994","50","4","578","581","10.1107/S0108270193010819","","","1.5418","CuKα","","0.054","0.042","","0.064","0.063","","","","","2","2","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009600","10.349","0.001","16.62","0.001","8.9933","0.0006","90","","90","","90","","1546.9","0.2","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","12-Methyl 9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate lactone OR Methyl 3,5-dihydro-3-oxo-1H-5,9b[1',2']benzenonaphtho[1,2-c]furan- 4-carboxylate","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","CD1060","Chen, Jianxin; Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","12-Methyl-9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate lactone","Acta Crystallographica Section C","1994","50","4","576","578","10.1107/S0108270193010820","","","1.5418","CuKα","","0.049","0.038","","0.056","0.055","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009601","7.858","0.001","7.858","0.001","7.086","0.001","90","","90","","120","","378.93","0.09","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","Aluminium hydrogen phosphite","","- Al2 H3 O9 P3 -","- Al2 H3 O9 P3 -","- Al4 H6 O18 P6 -","2","0.166667","CR1025","Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K.","Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~","Acta Crystallographica Section C","1994","50","4","473","476","10.1107/S0108270193009217","","","0.71069","MoKα","","0.0177","","","0.0185","","","","","","","","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2009602","7.91382","0.00006","7.91382","0.00006","7.24062","0.00007","90","","90","","120","","392.716","0.006","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Gallium hydrogen phosphite","","- Ga2 H3 O9 P3 -","- Ga2 H3 O9 P3 -","- Ga4 H6 O18 P6 -","2","0.166667","CR1025","Morris, Russell E.; Attfield, Martin P.; Cheetham, Anthony K.","Synthesis and structures of two isostructural phosphites, Al~2~(HPO~3~)~3~ and Ga~2~(HPO~3~)~3~","Acta Crystallographica Section C","1994","50","4","473","476","10.1107/S0108270193009217","","","1.54178","","","","","","","","","","","","","","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009603","10.597","0.003","11.704","0.004","14.39","0.006","90","","103.28","0.03","90","","1737","1.1","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C17 H24 Cl3 N -","- C17 H24 Cl3 N -","- C68 H96 Cl12 N4 -","4","1","CR1066","Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.","Diastereomeric octahydronaphthoquinolizines","Acta Crystallographica Section C","1994","50","4","609","613","10.1107/S0108270193009242","","","1.54178","CuKα","","","0.085","","","0.08","","","","","2.26","2.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009604","8.922","0.002","11.522","0.005","15.734","0.002","90","","97.51","0.01","90","","1603.6","0.8","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl N O4 -","- C16 H22 Cl N O4 -","- C64 H88 Cl4 N4 O16 -","4","1","CR1066","Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.","Diastereomeric octahydronaphthoquinolizines","Acta Crystallographica Section C","1994","50","4","609","613","10.1107/S0108270193009242","","","1.54178","CuKα","","","0.066","","","0.075","","","","","2.59","2.59","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009605","8.427","0.002","13.509","0.001","7.467","0.003","92.06","0.02","111.18","0.02","94.11","0.01","788.8","0.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl N O4 -","- C16 H22 Cl N O4 -","- C32 H44 Cl2 N2 O8 -","2","1","CR1066","Cai, B.; Pan, Y.; Qiu, H.; Dewan, J. C.; Wink, D. J.; Murphy, R. B.; Schuster, D. I.","Diastereomeric octahydronaphthoquinolizines","Acta Crystallographica Section C","1994","50","4","609","613","10.1107/S0108270193009242","","","1.54178","CuKα","","","0.08","","","0.103","","","","","3.96","3.96","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009606","11.062","0.005","11.616","0.005","16.817","0.006","97.15","0.03","93.45","0.03","93.2","0.03","2135.9","1.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Au P S -","- C48 H40 Au2 P2 S2 -","- C96 H80 Au4 P4 S4 -","2","1","CR1067","Fackler, J.P.Jr.; Staples, R.J.; Elduque, A.; Grant, T.","Benzenethiolato(triphenylphosphine)gold(I)","Acta Crystallographica Section C","1994","50","4","520","523","10.1107/S0108270193009254","","","0.71073","MoKα","","","0.038","","","0.0396","","","","","1.28","1.28","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009607","37.462","0.002","6.2017","0.0003","8.1843","0.0004","90","","98.891","0.004","90","","1878.6","0.16","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","cyclo-glycyl-L-phenylglycine","","- C10 H10.5 N2 O2.25 -","- C10 H10.5 N2 O2.25 -","- C80 H84 N16 O18 -","8","2","CR1093","Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.","Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)","Acta Crystallographica Section C","1994","50","4","565","569","10.1107/S0108270193010467","","","1.54178","CuKα","","0.0467","0.0444","","0.1546","0.1287","","","","1.066","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009608","5.0084","0.0006","20.367","0.003","5.2057","0.0005","90","","105.198","0.008","90","","512.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo-L-alanyl-D-phenylglycine","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","CR1093","Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.","Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)","Acta Crystallographica Section C","1994","50","4","565","569","10.1107/S0108270193010467","","","1.54178","CuKα","","0.0473","0.0462","","0.1218","0.1174","","","","1.096","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009609","10.302","0.001","13.96","0.001","16.64","0.001","90","","90","","90","","2393.1","0.3","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H20 Cl2 Cu N4 O8 -","- C20 H20 Cl2 Cu N4 O8 -","- C80 H80 Cl8 Cu4 N16 O32 -","4","1","DU1052","Agnus, Y.; Labarelle, M.; Louis, R.; Metz, B.","Absolute configuration of di(perchlorato-<i>O</i>)tetra(pyridine-<i>N</i>)copper(II), [Cu(ClO~4~)~2~(py)~4~]","Acta Crystallographica Section C","1994","50","4","536","538","10.1107/S0108270193009813","","","1.5418","CuKα","","","0.048","","","0.047","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009610","22.535","0.015","10.322","0.005","5.923","0.003","90","","90","","90","","1377.7","1.3","300","1","300","1","","","","","","","","4","P n a 21","P 2c -2n","33","","dipotassium hydrogenphosphate","","- H K2 O4 P -","- H K2 O4 P -","- H12 K24 O48 P12 -","12","3","DU1064","Lis, Tadeusz","Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~","Acta Crystallographica Section C","1994","50","4","484","487","10.1107/S0108270193011023","","","0.71069","MoKα","","","0.032","","","0.029","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009611","22.402","0.015","9.979","0.005","5.822","0.003","90","","90","","90","","1301.5","1.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","pentapotassium sodium trihydrogenphosphate","","- H3 K5 Na O12 P3 -","- H3 K5 Na O12 P3 -","- H12 K20 Na4 O48 P12 -","4","1","DU1064","Lis, Tadeusz","Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~","Acta Crystallographica Section C","1994","50","4","484","487","10.1107/S0108270193011023","","","0.71069","MoKα","","","0.0256","","","0.0298","","","","","1.07","1.07","","","","","has coordinates","288322","2023-12-14","18:32:15",""
"2009612","12.509","0.005","13.139","0.005","12.197","0.005","109.77","0.04","104.77","0.04","96.42","0.04","1780.4","1.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène","","- C42 H54 O3 -","- C42 H54 O3 -","- C84 H108 O6 -","2","1","DU1065","Ginderow, Daria; Valla, Alain; Andriamialisoa, Zo; Giraud, Michel","1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène","Acta Crystallographica Section C","1994","50","4","574","576","10.1107/S010827019301145X","","","1.5418","radiation:CuKα","","","0.066","","","0.063","","","","","3.892","3.892","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009613","7.346","0.001","10.632","0.001","11.986","0.001","64.85","0.01","88.31","0.01","89.31","0.01","847.02","0.17","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N3 O -","- C7 H13 N3 O -","- C28 H52 N12 O4 -","4","2","GR1006","Di Maio, G.; Li, S.; Portalone, G.; Zhou, K.; Marciante, C.; Spagna, R.","Cyclohexanone semicarbazone and 4-<i>tert</i>-butylcyclohexanone semicarbazone","Acta Crystallographica Section C","1994","50","4","635","638","10.1107/S0108270193009369","","","1.5418","CuKα","","","0.0399","","","0.045","","","","","0.1","0.1","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009614","11.969","0.003","14.541","0.001","11.284","0.001","111.51","0.01","110.69","0.01","88.27","0.02","1698.1","0.5","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 N3 P2 Ru -","- C41 H35 N3 P2 Ru -","- C82 H70 N6 P4 Ru2 -","2","1","HA1048","Taqui Khan, M.M.; Bhadbhade, M.M.; Siddiqui, M.R.H.; Venkatasubramanian, K.; Tikhonova, J.A.","Azido(η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1994","50","4","502","504","10.1107/S0108270193007425","","","1.5418","CuKα","","","0.038","","","0.041","","","","","0.51","0.51","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009615","7.925","0.001","9.281","0.002","20.918","0.003","90","","90","","90","","1538.6","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","HA1052","Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.","Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione","Acta Crystallographica Section C","1994","50","4","594","597","10.1107/S0108270193007814","","","1.5418","CuKα","","","0.068","","","0.099","","","","","3.25","3.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009616","6.293","0.001","28.348","0.001","7.856","0.001","90","","95.29","0.01","90","","1395.5","0.3","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","HA1052","Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.","Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione","Acta Crystallographica Section C","1994","50","4","594","597","10.1107/S0108270193007814","","","1.5418","CuKα","","","0.064","","","0.063","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009617","7.4731","0.0007","10.8843","0.0008","9.0286","0.0006","90","","112.992","0.007","90","","676.04","0.1","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","","6-amino-2-methoxy-3-methyl-5-[(E)-1,2-dicarbomethoxyvinyl]pyrimidin-4-(3H)- one","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C24 H30 N6 O12 -","2","1","HA1082","Low, John N.; Egglishaw, Clare; Ferguson, George; Cobo, Justo; Garcia, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo","6-Amino-5-[(<i>E</i>)-1,2-bis(methoxycarbonyl)vinyl]-2-methoxy-3-methylpyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1994","50","4","585","587","10.1107/S0108270193011953","","","0.71067","MoKα","","0.037","0.032","","0.047","0.045","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009618","9.301","0.002","12.468","0.004","10.72","0.003","90","","99.48","0.02","90","","1226.2","0.6","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C18 H26 Cl2 Cu2 N4 O10 -","- C18 H26 Cl2 Cu2 N4 O10 -","- C36 H52 Cl4 Cu4 N8 O20 -","2","0.5","HE1005","Mukherjee, M.; Mukherjee, A. K.; Datta, S. J.; Nanda, K. K.; Helliwell, M.","A dinuclear copper(II) complex [Cu~2~<i>L</i>~2~](ClO~4~)~2~ derived from 2,6-bis(aminomethyl)-4-methylphenol (H<i>L</i>)","Acta Crystallographica Section C","1994","50","4","542","544","10.1107/S0108270193010121","","","1.5418","CuKα","","","0.046","","","0.052","","","","","1.01","1.01","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009619","6.192","0.001","13.99","0.001","16.883","0.002","90","","90","","90","","1462.5","0.3","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","HH1077","Czerwinski, E.W.; Cao, Z.; Liehr, J.","3,8α-Dihydroxyestra-1,3,5(10),6-tetraen-17-one","Acta Crystallographica Section C","1994","50","4","601","603","10.1107/S0108270193007036","","","1.5418","CuKα","","","0.067","","","0.066","","","","","1.006","1.006","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009620","8.231","0.004","8.792","0.005","23.6","0.02","90","","90","","90","","1707.9","1.9","297","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","HL1037","Lee, C.K.; Koh, L.L.","2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-α,α-trehalose","Acta Crystallographica Section C","1994","50","4","597","601","10.1107/S0108270193008534","","","0.71069","MoKα","","","0.0597","","","0.0537","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009621","12.463","0.003","7.7459","0.0017","7.6212","0.0016","90","","90","","90","","735.7","0.3","291","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H10 O2 S -","- C6 H10 O2 S -","- C24 H40 O8 S4 -","4","0.5","HL1038","Gainsford, G.J.; Woolhouse, A.D.","2-<i>n</i>-Propylthiete sulfone","Acta Crystallographica Section C","1994","50","4","606","607","10.1107/S0108270193008947","","","0.7093","MoKα~1~","","","0.035","","","0.046","","","","","1.627","1.627","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2009622","8.235","0.003","11.152","0.004","18.442","0.005","100.6","0.03","102.1","0.02","96.89","0.03","1605.5","1","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 Cl Fe2 I3 -","- C32 H34 Cl Fe2 I3 -","- C64 H68 Cl2 Fe4 I6 -","2","1","HU1046","Dong, T.-H.; Huang, C.-H.","Structural characterization of mixed valence 1',2',1''',2'''-tetraethylbiferrocenium triiodide","Acta Crystallographica Section C","1994","50","4","546","549","10.1107/S0108270193010169","","","0.7107","MoKα","","","0.048","","","0.049","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009623","16.382","0.008","16.796","0.007","10.926","0.003","90","","90","","90","","3006","2","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C31 H32 Cl2 O2 P2 Pt -","- C31 H32 Cl2 O2 P2 Pt -","- C124 H128 Cl8 O8 P8 Pt4 -","4","1","HU1050","Ganter, C.; Orpen, A.G.; Bergamini, P.; Costa, E.","A new orthorhombic crystal form of dichloro[(‒)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum, [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~]","Acta Crystallographica Section C","1994","50","4","507","510","10.1107/S0108270193010170","","","0.71073","MoKα","","","0.063","","","0.056","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009624","13.808","0.006","19.764","0.006","11.696","0.004","99.27","0.03","107.08","0.03","88.12","0.03","3011","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H55 Cu3 O3 P4 S5 W -","- C58 H55 Cu3 O3 P4 S5 W -","- C116 H110 Cu6 O6 P8 S10 W2 -","2","1","HU1053","Du, S.; Wu, X.","μ-(<i>O</i>,<i>O</i>'-Diethyl dithiophosphato-2κ<i>S</i>:3κ<i>S</i>')-oxo-1κ<i>O</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppertungsten","Acta Crystallographica Section C","1994","50","4","500","502","10.1107/S0108270193009023","","","0.71069","MoKα","","","0.045","","","0.063","","","","","1.58","1.58","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009625","9.525","0.008","12.936","0.009","25.831","0.009","78.16","0.04","83.79","0.04","72.26","0.05","2963","4","296","","296","","","","","","","","","4","P -1","-P 1","2","","Exo,exo-17-(3,3,3-trifluro-2-trifluoromethyl-1-azapropenyl)- 4,4,12,12,16,16-hexakis(trifluoromethyl)-3,11,17-triazaheptacyclo [12.4.1.1.^6,9^.0^2,13^.0^3,11^ 0^5,10^.0^15,18^]eicos-7-ene","","- C26 H16 F24 N4 -","- C26 H16 F25.5 N4 -","- C104 H64 F102 N16 -","4","2","HU1061","Barlow, M.G.; Pritchard, R.G.; Suliman, N.S.; Tipping, A.E.","<i>exo</i>,<i>exo</i>-4,4,12,12,16,16-Hexakis(trifluoromethyl)-17-(3,3,3-trifluoro-2-trifluoromethyl-1-azapropenyl)-3,11,17-triazaheptacyclo[12.4.1.1^6,9^.0^2,13^.0^3,11^.0^5,10^.0^15,18^]icos-7-ene formed <i>via</i> novel 1,3-dipolar cycloaddition to quadricyclane","Acta Crystallographica Section C","1994","50","4","553","556","10.1107/S0108270193009011","","","0.71069","MoKα","","","0.0501","","","0.0396","","","","","2.111","2.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009626","8.637","0.002","14.976","0.003","13.714","0.003","90","","94.39","0.02","90","","1768.7","0.7","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5:9,10-Dibenzo-1,7-dichloro-1,7-(14-chloromethanonitrilo) tetracyclo[5.5.2.0.^2,6^0^8,12^]tetradec-13-ene","","- C21 H16 Cl3 N -","- C21 H16 Cl3 N -","- C84 H64 Cl12 N4 -","4","1","HU1062","Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.","4,5:9,10-Dibenzo-1,7-dichloro-1,7-(14-chloromethanonitrilo)tetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene, a 2:1 Diels‒Alder cycloaddition product of indene and 3,5,6-trichloro-1,2,4-triazine","Acta Crystallographica Section C","1994","50","4","552","553","10.1107/S0108270193010959","","","0.71069","MoKα","","","0.0443","","","0.0494","","","","","1.627","1.627","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009627","6.241","0.002","12.296","0.003","12.758","0.004","90","","95.58","0.02","90","","974.4","0.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,7-Dichloro-9-azatricyclo[4.3.1.0^3,7^]decan-8-one","","- C9 H11 Cl2 N O -","- C9 H11 Cl2 N O -","- C36 H44 Cl8 N4 O4 -","4","1","HU1063","Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.","1,7-Dichloro-9-azatricyclo[4.3.1.0^3,7^]decan-8-one, a hydrolysed Diels‒Alder cycloaddition product from the reaction of 3,5,6-trichloro-1,2,4-triazine with hexa-1,5-diene","Acta Crystallographica Section C","1994","50","4","550","551","10.1107/S0108270193010960","","","0.71069","MoKα","","","0.0478","","","0.0602","","","","","2.057","2.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009628","7.413","0.003","23.75","0.01","7.933","0.003","90","","110.92","0.04","90","","1304.6","1","240","1","240","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","HU1068","Clegg, William; Stanforth, Stephen P.; Hedley, K. Andrew; Raper, Eric S.; Creighton, James R.","<i>N</i>-[2-(2-Formylphenyl)ethyl]-2-nitroaniline","Acta Crystallographica Section C","1994","50","4","583","585","10.1107/S0108270193010972","","","0.71073","MoKα","","0.1892","0.0637","","0.2068","0.1443","","","","1.033","1.217","1.217","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009629","31.346","0.001","26.838","0.006","7.293","0.005","90","","90","","90","","6135","4","300","","","","","","","","","","","5","F d d 2","F 2 -2d","","","","","- C11 H19 N5 O6 S -","- C11 H18 N5 O5.5 S -","- C176 H288 N80 O88 S16 -","16","1","LI1054","Nigam, G. D.; Karak, S.; Saha, C.R.; Srinivasan, S.","A triazine derivative","Acta Crystallographica Section C","1994","50","4","613","614","10.1107/S0108270193009461","","","1.5418","CuKα","","","0.039","","","0.04","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2009630","7.877","0.001","12.6","0.002","14.326","0.002","90","","96.68","0.01","90","","1412.2","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C60 H48 Br4 N4 O16 -","4","1","LI1062","Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.","An intermediate in the synthesis of formoterol","Acta Crystallographica Section C","1994","50","4","627","629","10.1107/S0108270193009473","","","0.71063","MoKα","","","0.031","","","0.038","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009631","17.97","0.004","7.418","0.002","17.634","0.006","90","","116.84","0.02","90","","2097.4","1.1","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C10 H13 Cl N2 O -","- C10 H13 Cl N2 O -","- C80 H104 Cl8 N16 O8 -","8","1","LI1063","Yang, Q.-C.; Ni, N.; Xu, X.-J.; Tang, Y.-Q.","1-Benzyl-3-pyrazolidone hydrochloride","Acta Crystallographica Section C","1994","50","4","648","650","10.1107/S0108270193009485","","","0.71073","MoKα","","","0.0405","","","0.0464","","","","","1.74","1.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009632","6.98","0.02","29.76","0.02","12.491","0.007","90","","90","","90","","2595","8","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H9 N S -","- C17 H8 N S -","- C136 H64 N8 S8 -","8","1","LI1064","Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S.","1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS","Acta Crystallographica Section C","1994","50","4","650","652","10.1107/S0108270193009497","","","0.7107","MoKα","","","0.064","","","0.065","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009635","6.029","0.001","7.708","0.001","30.468","0.005","90","","94.84","0.02","90","","1410.8","0.4","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","MU1049","Ravikumar, K.","Non-steroidal anti-inflammatory drugs. III. Structure of indoprofen: 2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid","Acta Crystallographica Section C","1994","50","4","589","592","10.1107/S0108270193007450","","","0.71069","MoKα","","","0.062","","","0.069","","","","","1.08","1.08","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009637","18.145","0.001","10.364","0.004","21.596","0.004","90","","90","","90","","4061.2","1.8","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C21 H24 I N O3 -","- C21 H24 I N O3 -","- C168 H192 I8 N8 O24 -","8","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.039","","","0.042","","","","","1.04","1.04","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009638","9.681","0.002","22.465","0.006","10.463","0.005","90","","113.9","0.2","90","","2080","3","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C21 H26 I N O3 -","- C21 H26 I N O3 -","- C84 H104 I4 N4 O12 -","4","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.043","","","0.046","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009639","11.335","0.003","13.208","0.003","13.288","0.004","61.06","0.02","79.11","0.02","80.71","0.02","1703.9","0.9","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 N2 O2 P2 Re -","- C38 H35 N2 O2 P2 Re -","- C76 H70 N4 O4 P4 Re2 -","2","1","NA1047","Bandoli, G.; Dolmella, A.; Tisato, F.; Refosco, F.","A new phase of bis[2-(diphenylphosphino-κ<i>P</i>)phenylazanido-κ<i>N</i>](ethanolato)(oxo)rhenium(V)","Acta Crystallographica Section C","1994","50","4","530","532","10.1107/S0108270193010029","","","0.71073","MoKα","","","0.037","","","0.044","","","","","0.76","0.76","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009640","7.724","0.001","10.513","0.001","16.034","0.003","90","","90","","90","","1302","0.3","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2,5-dimethyl-4-nitroimidazole","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C40 H56 N24 O16 -","8","1","NA1064","Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.","2,5-Dimethyl-4-nitroimidazole","Acta Crystallographica Section C","1994","50","4","558","559","10.1107/S0108270193010649","","","0.71069","MoKα","","","0.0377","","","0.0349","","","","","0.7693","0.7693","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009641","6.9898","0.0008","7.3709","0.0008","13.41","0.002","90","","97.46","0.01","90","","685.05","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","NA1065","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Absolute configuration of (I) (‒)-(3<i>S</i>,4<i>R</i>)- and (II) (‒)-(3<i>S</i>,4<i>S</i>)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","Acta Crystallographica Section C","1994","50","4","560","562","10.1107/S0108270193011801","","","1.54184","CuKα","","0.0413","0.0383","","0.0622","0.0549","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009642","9.711","0.002","9.928","0.002","13.765","0.002","90","","90","","90","","1327.1","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","NA1065","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Absolute configuration of (I) (‒)-(3<i>S</i>,4<i>R</i>)- and (II) (‒)-(3<i>S</i>,4<i>S</i>)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","Acta Crystallographica Section C","1994","50","4","560","562","10.1107/S0108270193011801","","","1.54184","CuKα","","0.0347","0.0293","","0.0407","0.0369","","","","","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009643","15.968","0.002","17.035","0.003","6.453","0.001","90","","90","","90.75","0.01","1755.2","0.5","293","","","","","","","","","","","3","I 1 1 2/b","-I 2b","","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","1","OH1029","Ohishi, H.; Tsujibo, H.; Inoue, M.; Inamori, Y.; Ishida, N.","Stable conformations of hinokitiol and tropolone","Acta Crystallographica Section C","1994","50","4","587","589","10.1107/S0108270193008133","","","1.5418","CuKα","","","0.0564","","","0.0576","","","","","1.232","1.232","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009644","18.331","0.003","15.887","0.005","7.643","0.002","90","","90","","90","","2225.8","1","292","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","OH1032","Kubo, K.; Mori, A.; Takeshita, H.; Tsuzuki, H.","5- and 7-dicyanomethylene-1,2-ethylenedithiocycloheptatrienes","Acta Crystallographica Section C","1994","50","4","603","606","10.1107/S0108270193009643","","","1.54184","CuKα","","","0.04948","","","0.063","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009645","10.58","0.002","13.625","0.002","8.119","0.001","90","","100.83","0.02","90","","1149.5","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C48 H32 N8 S8 -","4","1","OH1032","Kubo, K.; Mori, A.; Takeshita, H.; Tsuzuki, H.","5- and 7-dicyanomethylene-1,2-ethylenedithiocycloheptatrienes","Acta Crystallographica Section C","1994","50","4","603","606","10.1107/S0108270193009643","","","1.54184","CuKα","","","0.068","","","0.097","","","","","3.52","3.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009646","9.561","0.001","8.569","0.001","5.268","0.001","90","","110.244","0.003","90","","404.94","0.1","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","0.5","OH1040","Sato, A.; Osawa, T.; Ohashi, H.","LiGaSi~2~O~6~","Acta Crystallographica Section C","1994","50","4","487","488","10.1107/S0108270193009606","","","0.71073","MoKα","","","0.017","","","0.038","","","","","1.7","1.7","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2009647","7.827","0.002","23.364","0.002","5.843","0.002","90","","90","","90","","1068.5","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C52 H36 F4 O8 -","4","1","OH1041","Shibakami, M.; Tamura, M.; Arimura, T.; Kurosawa, S.; Sekiya, A.","Phenyl 3-fluorobenzoate","Acta Crystallographica Section C","1994","50","4","592","594","10.1107/S0108270193008625","","","1.5418","CuKα","","","0.043","","","0.047","","","","","3.45","3.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009648","15.628","0.002","12.915","0.002","14.533","0.002","90","","102.9","0.01","90","","2859.2","0.7","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 Fe2 K4 N2 O20 -","- C15 H24 Fe2 K4 N2 O20 -","- C60 H96 Fe8 K16 N8 O80 -","4","0.5","OH1044","Fujita, T.; Ohba, S.; Nishida, Y.; Goto, A.; Tokii, T.","Tetrapotassium μ-carbonato-μ-oxo-bis[nitrilotriacetatoiron(III)] dimethanol dihydrate","Acta Crystallographica Section C","1994","50","4","544","546","10.1107/S0108270193009618","","","0.71073","MoKα","","","0.045","","","0.057","","","","","2.32","2.32","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:43",""
"2009649","10.299","0.004","20.221","0.005","5.696","0.005","93.01","0.04","94.46","0.06","81.12","0.03","1167.5","1.2","288","","","","","","","","","","","3","P 1","P 1","1","","","","- C44 H48 O23 -","- C44 H48 O23 -","- C44 H48 O23 -","1","1","OH1047","Ohsawa, Y.; Ohba, S.; Kosemura, S.; Yamamura, S.; Nakagawa, A.; Yoshida, K.; Kondo, T.","Flavocommelin octaacetate","Acta Crystallographica Section C","1994","50","4","645","648","10.1107/S0108270193009631","","","1","Synchrotron","","","0.071","","","0.069","","","","","1.16","1.16","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009650","7.335","0.001","9.277","0.001","13.211","0.002","90","","90","","90","","899","0.2","291","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","PA1054","Ouvrard, N.; Baldy, A.; Rodriguez, J.; Santelli, M.; Feneau-Dupont, J.; Declercq, J.-P.","Stereochemistry of the Carroll rearrangement: structure of (+)-(2<i>R</i>)-2-[(1<i>R</i>,5<i>R</i>)-5-methyl-2-oxocyclopentyl]propionic acid, C~9~H~14~O~3~","Acta Crystallographica Section C","1994","50","4","624","625","10.1107/S0108270193010297","","","1.5418","CuKα","","","0.057","","","0.066","","","","","0.4","0.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009651","8.048","0.001","8.398","0.001","15.918","0.002","101.54","0.01","98.88","0.01","106.62","0.01","984.1","0.2","291","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","2","PA1070","Cottier, L.; Descotes, G.; Eymard, L.; Faure, R.","2,9-Dioxo-1,6,8,13-tetraoxadispiro[4.1.4.3]tetradeca-3,10-diene, C~10~H~8~O~6~","Acta Crystallographica Section C","1994","50","4","625","627","10.1107/S0108270193010340","","","1.5424","CuKα","","","0.058","","","0.057","","","","","0.61","0.61","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009652","22.723","0.007","8.908","0.003","13.2","0.02","90","","104.34","0.06","90","","2589","4","173","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Butyl-N,N-dimethyl-3-(1.1.3.3.5.5.5.-heptamethyltrisiloxan-1-yl) propylammonium bromide","","- C16 H42 Br N O2 Si3 -","- C16 H42 Br N O2 Si3 -","- C64 H168 Br4 N4 O8 Si12 -","4","1","SE1028","Rudert, Rainer; Schmaucks, G.","Butyl[3-(1,1,3,3,5,5,5-heptamethyltrisiloxan-1-yl)propyl]dimethylammonium bromide, C~16~H~42~NO~2~Si~3~^+^.Br^{-^}, at 173 and 301 K","Acta Crystallographica Section C","1994","50","4","631","635","10.1107/S010827019300784X","","","0.71069","MoKα","","","0.49","","","0.032","","","","","2","2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009653","8.632","0.002","10.265","0.002","14.128","0.003","90","","104.9","0.1","90","","1209.8","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis-(trimethylphenylammonium) hexachlorotungstide(IV)","","","- C18 H28 Cl6 N2 W -","- C18 H28 Cl6 N2 W -","- C36 H56 Cl12 N4 W2 -","2","0.5","SE1037","Müller, Ulrich; Sens, Irina; Wollert, René; Dehnicke, Kurt","[Me~3~PhN]~2~[WCl~6~] und [PPh~4~]~2~[W~2~Cl~6~O~2~(μ-N)(μ-Cl~2~PO~2~)], ein μ-<i>N</i>-Nitridowolframat mit Dichlorophosphatbrücke","Acta Crystallographica Section C","1994","50","4","493","496","10.1107/S0108270193010753","","","0.7107","MoKα","","","0.025","","","0.019","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009654","27.369","0.007","11.349","0.002","18.451","0.004","90","","115.36","0.04","90","","5179","3","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tetraphenylphosphophonium hexachlorodioxo-μ-dichlorophospato-μ-nitrido- ditungstide","","","- C48 H40 Cl8 N O4 P3 W2 -","- C48 H40 Cl8 N O4 P3 W2 -","- C192 H160 Cl32 N4 O16 P12 W8 -","4","0.5","SE1037","Müller, Ulrich; Sens, Irina; Wollert, René; Dehnicke, Kurt","[Me~3~PhN]~2~[WCl~6~] und [PPh~4~]~2~[W~2~Cl~6~O~2~(μ-N)(μ-Cl~2~PO~2~)], ein μ-<i>N</i>-Nitridowolframat mit Dichlorophosphatbrücke","Acta Crystallographica Section C","1994","50","4","493","496","10.1107/S0108270193010753","","","0.7107","MoKα","","0.061","0.041","","","0.03","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009655","27.048","0.006","10.298","0.002","20.3","0.003","90","","102.62","0.02","90","","5517.8","1.9","293","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","","","- C18 H28 Cl4 Cu2 N6 O7 -","- C18 H28.5 Cl4 Cu2 N6 O7 -","- C144 H228 Cl32 Cu16 N48 O56 -","8","1","ST1070","Abboud, K.A.; Palenik, R.C.; Palenik, G.J.","Dichloro(2,6-diacetylpyridine dioxime-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) 1.5-hydrate","Acta Crystallographica Section C","1994","50","4","525","528","10.1107/S0108270193009746","","","0.71073","MoKα","","","0.0526","","","0.0544","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009656","5.2405","0.0004","5.2405","0.0004","5.0221","0.0004","90","","90","","120","","119.443","0.016","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- Ca O6 Sb2 -","- Ca O6 Sb2 -","- Ca O6 Sb2 -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0444","","","0.17","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009657","5.2724","0.0004","5.2724","0.0004","5.3659","0.0004","90","","90","","120","","129.178","0.017","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- O6 Sb2 Sr -","- O6 Sb2 Sr -","- O6 Sb2 Sr -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0453","","","0.211","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009658","5.3036","0.0004","5.3036","0.0004","5.7602","0.0004","90","","90","","120","","140.317","0.018","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- Ba O6 Sb2 -","- Ba O6 Sb2 -","- Ba O6 Sb2 -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0501","","","0.229","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009659","12.319","0.001","18.236","0.002","10.883","0.001","94.468","0.007","97.417","0.007","98.72","0.007","2384.5","0.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24.5 Au O1.25 P S -","- C26 H24.5 Au O1.5 P S -","- C104 H98 Au4 O6 P4 S4 -","4","2","ST1072","Fackler Jr., J.P.; Staples, R.J.; Raptis, R.G.","(<i>o</i>-Methoxybenzenethiolato)(triphenylphosphine)gold(I) diethyl ether solvate","Acta Crystallographica Section C","1994","50","4","523","525","10.1107/S0108270193008157","","","0.71073","MoKα","","","0.0266","","","0.0271","","","","","1","1","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009660","10.849","0.002","11.311","0.002","12.013","0.002","71.09","0.02","89.87","0.02","82.28","0.02","1380.6","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O5 S2 -","- C31 H27 N O5 S2 -","- C62 H54 N2 O10 S4 -","2","1","AB1073","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Sadanandan, E.V.","2-[1-Phenylsulfonyl-2-(3,4,5-trimethoxyphenyl)vinyl]-3-(phenylthio)indole","Acta Crystallographica Section C","1994","50","5","784","787","10.1107/S0108270193009977","","","1.5418","CuKα","","","0.046","","","0.065","","","","","1.03","1.03","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009661","8.416","0.002","11.425","0.003","12.36","0.002","90","","136.61","0.01","90","","816.4","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- Cr2 H2 Nd2 O10 -","- Cr2 Nd2 O10 -","- Cr8 Nd8 O40 -","4","1","AB1084","Leppä-aho, J.","Nd~2~(OH)~2~(CrO~4~)~2~ and [Tb~2~(CrO~4~)~3~(H~2~O)~5~].2H~2~O","Acta Crystallographica Section C","1994","50","5","663","666","10.1107/S0108270193010042","","","0.71073","MoKα","","","0.041","","","0.048","","","","","4.957","4.957","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009662","7.9218","0.0009","18.95","0.002","13.142","0.002","90","","128.02","0.01","90","","1554.2","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- Cr3 H14 O19 Tb2 -","- Cr3 O19 Tb2 -","- Cr12 O76 Tb8 -","4","1","AB1084","Leppä-aho, J.","Nd~2~(OH)~2~(CrO~4~)~2~ and [Tb~2~(CrO~4~)~3~(H~2~O)~5~].2H~2~O","Acta Crystallographica Section C","1994","50","5","663","666","10.1107/S0108270193010042","","","0.71073","MoKα","","","0.043","","","0.053","","","","","5.374","5.374","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009663","6.436","0.003","7.681","0.003","9.637","0.003","107.25","0.03","98.85","0.03","104.59","0.03","426.6","0.3","118","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 N2 Ni O10 -","- C10 H24 N2 Ni O10 -","- C10 H24 N2 Ni O10 -","1","0.5","AB1092","Lampeka, R.D.; Dudarenko, N.M.; Skopenko, V.V.","<i>trans</i>-Bis(2-hydroxyiminopropionato-<i>N</i>,<i>O</i>)dimethanolnickel(II) dimethanol solvate, [Ni{CH~3~C(NOH)COO}~2~(CH~3~OH)~2~].2CH~3~OH","Acta Crystallographica Section C","1994","50","5","706","708","10.1107/S0108270193011187","","","1.54184","CuKα","","","0.034","","","0.06","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009664","14.742","0.002","9.078","0.001","15.162","0.002","90","","118.9","0.01","90","","1776.4","0.4","294","","294","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","trans-transoid-trans-transoid-trans- tetracyclo[16.4.0.0^2,9^.0^10,17^]docosa-5,13-diene","","- C22 H34 -","- C22 H34 -","- C88 H136 -","4","1","AB1112","Spek, Anthony L.; Timmermans, Petrus J. J. A.; Mackor, Adri","<i>trans</i>-<i>transoid</i>-<i>trans</i>-<i>transoid</i>-<i>trans</i>-Tetracyclo[16.4.0.0^2,9^.0^10,17^]docosa-5,13-diene","Acta Crystallographica Section C","1994","50","5","744","746","10.1107/S010827019301203X","","","1.5418","CuKα","","","0.064","","","0.059","","","","","0.79","0.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009665","5.2346","0.0006","6.17","0.0007","8.3346","0.0017","71.831","0.014","77.53","0.013","74.985","0.009","244.34","0.07","150","","150","","","","","","","","","2","P -1","-P 1","2","bicyclohexylidene","bicyclohexylidene","","- C12 H20 -","- C12 H20 -","- C12 H20 -","1","0.5","AB1118","Nora Veldman; Anthony L. Spek; Frans J. Hoogesteger; Jan W. Zwikker; Leonardus W. Jenneskens","Low-temperature structure of bicyclohexylidene, C~12~H~20~","Acta Crystallographica Section C","1994","50","5","742","744","10.1107/S0108270193012041","","","0.71073","MoKα","","","0.05","","","0.064","","","","","0.24","0.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009666","11.4069","0.0018","16.2441","0.0008","11.8091","0.0017","90","","118.187","0.009","90","","1928.7","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-bis(triphenylphosphite)tetracarbonylmolybdenum(0)","","- C40 H30 Mo O10 P2 -","- C40 H30 Mo O10 P2 -","- C80 H60 Mo2 O20 P4 -","2","1","AB1120","Alyea, Elmer C.; Ferguson, George; Zwikker, Michèle","<i>cis</i>-Tetracarbonylbis(triphenyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1994","50","5","676","678","10.1107/S0108270193013034","","","0.7093","MoKα","","0.072","0.028","","0.039","0.035","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009667","12.561","0.003","8.075","0.002","17.855","0.003","90","","109.38","0.02","90","","1708.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di(1-methylcytosinium) Tetrachlorocobaltate (II)","","- C10 H16 Cl4 Co N6 O2 -","- C10 H16 Cl4 Co N6 O2 -","- C40 H64 Cl16 Co4 N24 O8 -","4","0.5","AB1122","Hillgeris, Edda Claudia; Lippert, Bernhard","Bis(1-methylcytosinium) tetrachlorocobaltate(II), (C~5~H~8~N~3~O)~2~[CoCl~4~]","Acta Crystallographica Section C","1994","50","5","670","671","10.1107/S0108270193013046","","","0.71073","MoKα","","0.0442","0.0277","","0.0631","0.0577","","","","1.057","1.099","1.099","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009668","7.7174","0.0009","9.5225","0.0009","16.1768","0.0019","99.311","0.008","102.708","0.01","103.949","0.009","1096.1","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","Ferrocenyl(diphenyl)methanol : dimethylsulfoxide 1:1 adduct.","","- C25 H26 Fe O2 S -","- C25 H26 Fe O2 S -","- C50 H52 Fe2 O4 S2 -","2","1","AB1165","Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George","Hydrogen bonding in ferrocene derivatives: structure of the 1:1 adduct of ferrocenyl(diphenyl)methanol and dimethyl sulfoxide","Acta Crystallographica Section C","1994","50","5","678","681","10.1107/S0108270194002180","","","0.71067","MoKα","","0.044","0.034","","0.055","0.052","","","","","1.45","1.45","","","","","has coordinates","191861","2020-10-21","18:00:00",""
"2009669","13.576","0.002","20.603","0.003","11.675","0.002","101.03","0.01","107.2","0.01","77.25","0.01","3014.6","0.8","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H55 Ag3 Mo O2 P4 S6 -","- C58 H55 Ag3 Mo O2 P4 S6 -","- C116 H110 Ag6 Mo2 O4 P8 S12 -","2","1","AL1055","Du, S.; Wu, X.","μ~3~-(<i>O</i>,<i>O</i>'-Diethyl dithiophosphato-2κ<i>S</i>,3:4κ^2^<i>S</i>')-di-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>-μ-sulfido-1:3κ^2^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-molybdenumtrisilver","Acta Crystallographica Section C","1994","50","5","700","702","10.1107/S0108270193010510","","","0.71069","MoKα","","","0.054","","","0.087","","","","","2.17","2.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009670","10.609","0.001","10.865","0.001","11.187","0.001","97.308","0.007","94.774","0.007","103.166","0.006","1237","0.2","295","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O2 -","- C33 H24 O2 -","- C66 H48 O4 -","2","1","AL1058","Abram, S.; Abram, U.; Zimmermann, T.","3-Phenyl-1-(2,4,6-triphenylphenyl)propane-1,3-dione","Acta Crystallographica Section C","1994","50","5","765","767","10.1107/S0108270193010546","","","1.5418","CuKα","","","0.049","","","0.1265","","","","","1.041","1.041","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009671","5.903","0.002","11.143","0.005","13.912","0.004","77.72","0.03","82.83","0.02","83.12","0.03","883","0.6","299","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","AL1061","Ravikumar, K.; Rajan, S.S.; Parthasarathi, V.; Thiruvalluvar, A.; Jeyaraman, R.; Senthilkumar, U.P.","<i>t</i>-3-Isopropyl-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one, C~20~H~24~N~2~O","Acta Crystallographica Section C","1994","50","5","827","829","10.1107/S0108270193010856","","","1.54178","CuKα","","","0.059","","","0.071","","","","","1.55","1.55","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009672","13.454","0.002","5.243","0.002","7.518","0.002","90","","114.59","0.02","90","","482.2","0.2","293","","","","","","","","","","","6","C 1 2/m 1","-C 2y","","","","","- Cu F2 H12 N2 O8 P2 -","- Cu F2 H12 N2 O8 P2 -","- Cu2 F4 H24 N4 O16 P4 -","2","0.25","AL1067","Berraho, M.; Vegas, A.; Martinez-Ripoll, M.; Rafiq, M.","A copper monofluorophosphate, Cu(H~2~O)~2~(NH~4~)~2~(PO~3~F)~2~","Acta Crystallographica Section C","1994","50","5","666","668","10.1107/S0108270193010789","","","1.5418","CuKα","","","0.048","","","0.045","","","","","0.996","0.996","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009673","51.814","0.01","12.232","0.002","23.984","0.005","90","","92.91","0.03","90","","15181","5","187","2","187","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[bis(trimethylsilylamino-1κ^2^N'-diphenylphosphino-κ^2^P)-μ-aminato- 1κ^2^N:2κ^2^N]-dilithium(Li-Li) toluene solvate","","- C77.5 H96 Li2 N6 P4 Si4 -","- C77.5 H96 Li2 N6 P4 Si4 -","- C620 H768 Li16 N48 P32 Si32 -","8","1","AL1068","Van der Maelen Uría, Juan F.; Pandey, Sushil K.; Roesky, Herbert W.; Sheldrick, George M.","[Li{N(Me~3~SiNPPh~2~)~2~}]~2~.2.5C~7~H~8~","Acta Crystallographica Section C","1994","50","5","671","674","10.1107/S0108270193010558","","","0.71073","MoKα","","0.083","0.0557","","0.1535","0.1343","","","","1.025","1.079","1.079","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2009674","18.15","0.009","4.849","0.002","17.418","0.009","90","","110.58","0.07","90","","1435.1","1.4","120","0.5","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","pentaaqua-(2-furancarboxylato)nickel(II) 2-furancarboxylate","","- C10 H16 Ni O11 -","- C10 H16 Ni O11 -","- C40 H64 Ni4 O44 -","4","1","AL1070","Paluchowska, Beata; Lis, Tadeusz; Leciejewicz, Janusz","Pentaaqua(2-furancarboxylato)nickel(II) 2-furancarboxylate at 120 K","Acta Crystallographica Section C","1994","50","5","683","686","10.1107/S010827019301114X","","","0.7093","MoKα","","","0.0327","","","0.0328","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009675","11.758","0.009","10.646","0.004","9.922","0.002","90","","101.68","0.02","90","","1216.3","1.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl DL-3-Benzyl-2,2'-dioxo-1,2,3-oxathiazolidine-4-carboxylate","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","AL1078","Gritsonie, Penny; Pilkington, Melanie; Wallis, John D.; Povey, David C.","Methyl <small>DL</small>-3-benzyl-2,2-dioxo-1,2,3-oxathiazolidine-4-carboxylate ‒ an intermediate for amino acid synthesis","Acta Crystallographica Section C","1994","50","5","763","765","10.1107/S0108270193012673","","","0.71069","MoKα","","","0.045","","","0.047","","","","","1.43","1.43","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2009676","7.321","0.001","9.786","0.001","20.803","0.002","90","","90.63","0.01","90","","1490.3","0.3","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 Cl2 Cu2 N8 O18 -","- C12 H38 Cl2 Cu2 N8 O18 -","- C24 H76 Cl4 Cu4 N16 O36 -","2","0.5","AS1061","Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","A binuclear copper(II) complex of the deprotonated anion of <i>N</i>,<i>N</i>'-diglycylethylenediamine","Acta Crystallographica Section C","1994","50","5","708","710","10.1107/S0108270193010479","","","0.7107","MoKα","","","0.038","","","0.038","","","","","0.64","0.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009677","7.656","0.003","12.02","0.002","15.89","0.001","90","","90","","90","","1462.3","0.6","298","3","","","","","","","","","","5","P 21 2 21","P 2ac 2ac","","","","","- C9 H24 Cu N4 O5 -","- C9 H16 Cu N4 O5 -","- C36 H64 Cu4 N16 O20 -","4","1","AS1062","Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","A copper(II) complex of the deprotonated anion of (2<i>R</i>,10<i>R</i>)-<i>N</i>,<i>N</i>'-dialanylpropylenediamine","Acta Crystallographica Section C","1994","50","5","710","712","10.1107/S0108270193010480","","","0.7093","MoKα","","","0.043","","","0.047","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009678","6.244","0.002","12.469","0.004","9.195","0.003","90","","106.98","0.03","90","","684.7","0.4","298","3","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","AS1068","Tahirov, T.H.; Lu, T.-H.; Huang, C.-C.; Chung, C.-S.","A precise structure redetermination of nickel ammonium sulfate hexahydrate, Ni(H~2~O)~6~.2NH~4~.2SO~4~","Acta Crystallographica Section C","1994","50","5","668","669","10.1107/S0108270193010492","","","0.7093","MoKα","","","0.029","","","0.044","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009679","11.285","0.001","16.531","0.002","5.4143","0.0006","95.36","0.01","91.92","0.01","103.9","0.01","974.55","0.19","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 O S2 -","- C19 H30 O S2 -","- C38 H60 O2 S4 -","2","1","AS1072","Miyake, M.; Haramoto, Y.; Kamogawa, H.","2-(<i>p</i>-Butoxyphenyl)-5-pentyl-1,3-dithiane, C~19~H~30~OS~2~","Acta Crystallographica Section C","1994","50","5","805","807","10.1107/S0108270193011540","","","0.71069","MoKα","","","0.046","","","0.049","","","","","1.44","1.44","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009680","10.9127","0.0009","7.9906","0.0008","10.8248","0.0009","90","","93.456","0.007","90","","942.2","0.15","293","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H17 P -","- C26 H17 P -","- C52 H34 P2 -","2","1","AS1077","Tani, K.; Yamagata, T.; Tashiro, H.","Molecular structure and absolute configuration of (<i>P</i>)-7-phenyldinaphtho[2,1-<i>b</i>;1',2'-<i>d</i>]phosphole","Acta Crystallographica Section C","1994","50","5","769","771","10.1107/S0108270193010625","","","1.5418","CuKα","","","0.0386","","","0.0463","","","","","1.771","1.771","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009681","10.558","0.001","20.351","0.001","7.326","0.002","90","","106.22","0.01","90","","1511.5","0.4","297","","","","","","","","","","","3","P 1 21 1","","","","23(S)-acetoxy-11β-hydroxy-13β,17β;24(R),25-dioxido-3-oxo- protostane","","- C32 H50 O6 -","- C32 H50 O6 -","- C64 H100 O12 -","2","1","AS1083","Kentaro Yamaguchi; Yoshiteru Ida; Yoshijiroh Nakajima; Yohko Satoh; Junzo Shoji","Absolute stereostructure of 13,17-epoxyalisol B 23-acetate isolated from <i>Alisma orientale</i>","Acta Crystallographica Section C","1994","50","5","736","738","10.1107/S0108270193012193","","","1.5405","CuKα~1~","","","0.04","","","0.038","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009682","11.252","0.001","19.435","0.001","7.88","0.001","90","","90","","90","","1723.2","0.3","297","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16(R)-(-)-kaura-2,12-dione","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","AS1084","Kentaro Yamaguchi; Yoshiteru Ida; Yohko Satoh; Yoshijiroh Nakajima; Junzo Shoji","A kaurane derivative isolated from <i>Alisma orientale</i>","Acta Crystallographica Section C","1994","50","5","738","740","10.1107/S010827019301220X","","","1.5405","CuKα~1~","","","0.061","","","0.06","","","","","1.7","1.7","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2009683","6.452","0.001","6.559","0.001","6.286","0.001","61.6","0.01","118.72","0.01","105.86","0.01","204.9","0.06","297","","","","","","","","","","","5","P 1","P 1","1","","","","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Burns, P.C.; Hawthorne, F.C.","Refinement of the Structure of Hilgardite-1A","Acta Crystallographica Section C","1994","50","","653","655","","","","","","","","0.019","","","0.025","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009684","8.21","0.002","12.334","0.003","16.354","0.005","90","","90","","90","","1656","0.8","298","","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C34 H40 Cl2 N2 P2 Pd -","- C34 H40 Cl2 N2 P2 Pd -","- C68 H80 Cl4 N4 P4 Pd2 -","2","0.25","CD1043","Burrow, R.A.; Farrar, D.H.; Honeyman, C.H.","[Pd{P(C~5~H~10~N)Ph~2~}~2~Cl~2~]","Acta Crystallographica Section C","1994","50","5","681","683","10.1107/S0108270193007693","","","0.71073","MoKα","","","0.0455","","","0.047","","","","","3.26","3.26","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009685","9.784","0.001","16.112","0.002","8.397","0.001","90","","91.32","0.03","90","","1323.4","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","CR1070","Shoja, M.","5,6-Dihydroxy-7-methoxyflavone","Acta Crystallographica Section C","1994","50","5","771","773","10.1107/S0108270193010741","","","1.5418","CuKα","","","0.036","","","0.046","","","","","1.364","1.364","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009686","13.767","0.002","13.849","0.002","13.865","0.002","90","","94.76","0.01","90","","2634.4","0.7","203","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 O2 Sn -","- C28 H42 O2 Sn -","- C112 H168 O8 Sn4 -","4","1","CR1074","Barnhart, D.M.; Clark, D.L.; Watkin, J.G.","Bis(2,6-di-<i>tert</i>-butylphenolato-κ<i>O</i>)tin","Acta Crystallographica Section C","1994","50","5","702","704","10.1107/S0108270193010261","","","0.71073","MoKα","","","0.0241","","","0.0312","","","","","1.51","1.51","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009687","5.8414","0.0005","7.9263","0.001","23.776","0.004","90","","90","","90","","1100.8","0.2","295","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","CR1081","Prince, P.; Fronczek, F.R.; Gandour, R.D.","2-Acetoxy-7-methoxynaphthalene","Acta Crystallographica Section C","1994","50","5","797","798","10.1107/S0108270193010194","","","1.54184","CuKα","","","0.032","","","0.048","","","","","3.513","3.513","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009688","11.203","0.005","14.206","0.003","7.41","0.001","90","","90","","90","","1179.3","0.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinecarboxamide, 1R-(+)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylene-","","- C11 H19 N3 O -","- C11 H19 N3 O -","- C44 H76 N12 O4 -","4","1","CR1088","Robinson, Paul D.; Meyers, Cal Y.; Kolb, Vera M.","Intermolecular hydrogen-bonded structure of (1<i>R</i>)-(+)-camphor semicarbazone","Acta Crystallographica Section C","1994","50","5","732","734","10.1107/S010827019301008X","","","0.71069","MoKα","","","0.036","","","0.042","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009689","9.65","0.1","6.33","0.15","7.17","0.14","90","","90","","90","","438","14","110","3","","","","","","","","","","4","P n 21 a","P -2ac -2n","","","","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","1","DU1056","Hamzaoui, F.; Baert, F.","X-ray study of static disorder in <i>N</i>-methylacetamide","Acta Crystallographica Section C","1994","50","5","757","759","10.1107/S0108270193010832","","","0.71069","MoKα","","","0.066","","","0.066","","","","","1.12","1.12","","","","","has coordinates,has disorder","190723","2020-10-21","18:00:00",""
"2009690","24.414","0.002","11.587","0.002","21.108","0.001","90","","123.33","0.03","90","","4989","2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C29 H23 N O3 S2 -","- C29 H23 N O3 S2 -","- C232 H184 N8 O24 S16 -","8","1","HA1018","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Sadanandan, E.V.","2-[2-(4-Methoxyphenyl)-1-(phenylsulfonyl)vinyl]-3-(phenylthio)indole","Acta Crystallographica Section C","1994","50","5","789","791","10.1107/S0108270193001817","","","1.5418","CuKα","","","0.039","","","0.048","","","","","1.605","1.605","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009691","15.8","0.002","14.345","0.002","21.424","0.001","90","","90","","90","","4855.8","0.9","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H21 N O4 S2 -","- C29 H21 N O4 S2 -","- C232 H168 N8 O32 S16 -","8","1","HA1061","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Sadanandan, E.V.","[2-(3,4-Methylenedioxyphenyl)-1-(phenylsulfonyl)vinyl]-3-(phenylthio)indole","Acta Crystallographica Section C","1994","50","5","787","789","10.1107/S0108270193008285","","","1.5418","CuKα","","","0.054","","","0.06","","","","","1.43","1.43","","","","","has coordinates","198522","2020-10-21","18:00:00",""
"2009692","9.218","0.001","7.279","0.002","10.957","0.003","90","","110.43","0.02","90","","688.9","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O8 -","- C11 H16 N2 O8 -","- C22 H32 N4 O16 -","2","1","HA1071","Aakeröy, C.B.; Hitchcock, P.B.","1<i>H</i>-Benzimidazolium hydrogen <small>L</small>-tartrate dihydrate","Acta Crystallographica Section C","1994","50","5","759","761","10.1107/S0108270193014258","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.6","1.6","","","","","has coordinates","205895","2020-10-21","18:00:00",""
"2009693","16.197","0.006","9.141","0.002","19.54","0.001","90","","99.28","0.01","90","","2855.2","1.2","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Diethoxyphosphoryl-5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin","","- C9 H15 O3 P S4 -","- C9 H15 O3 P S4 -","- C72 H120 O24 P8 S32 -","8","2","HA1077","Kelkar, Shripad V.; Kilburn, Jeremy D.; Webster, Michael","Diethyl 5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiin-2-ylphosphonate, C~9~H~15~O~3~PS~4~","Acta Crystallographica Section C","1994","50","5","724","726","10.1107/S0108270193011941","","","0.71069","MoKα","","","0.0265","","","0.0367","","","","","0.31","0.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009694","10.6499","0.0004","11.7953","0.0005","13.3206","0.0008","90","","90","","90","","1673.32","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","triphenylphosphoranylideneammonium Azide","","- C18 H17 N4 P -","- C18 H17 N4 P -","- C72 H68 N16 P4 -","4","1","HA1080","Clegg, William; Christine Bleasdale","Triphenylphosphoranylideneammonium azide, [Ph~3~P=NH~2~][N~3~]","Acta Crystallographica Section C","1994","50","5","740","742","10.1107/S0108270193011096","","","0.71073","MoKα","","0.0591","0.0449","","0.1085","0.0938","","","","1.078","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009695","6.2525","0.0004","12.7576","0.0003","22.4174","0.0005","90","","90","","90","","1788.17","0.13","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","HH1009","Gupta, V. K.; Rajnikant, ?; Goswami, K. N.; Mazumdar, S. K.; Bhutani, K. K.","11-Ketoprogesterone","Acta Crystallographica Section C","1994","50","5","798","801","10.1107/S0108270193006596","","","1.5418","CuKα","","","0.064","","","0.074","","","","","0.98","0.98","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009696","22.461","0.001","22.461","0.001","6.191","0.001","90","","90","","90","","3123.3","0.5","148","","","","","","","","","","","4","I -4","I -4","","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","1","HH1063","Lloyd, B.A.; Arif, A.M.; Coots, R.J.; Allred, E.L.","Structural investigations of a tetracyclic <i>endo</i>-norborenyl derivative","Acta Crystallographica Section C","1994","50","5","777","781","10.1107/S0108270193012685","","","1.5418","CuKα","","","0.0256","","","0.0262","","","","","1.625","1.625","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009697","6.837","0.002","7.367","0.002","17.699","0.006","100.83","0.02","94.94","0.03","107.49","0.02","825.4","0.5","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C40 H38 Br2 O4 -","2","1","HH1064","Lloyd, B.A.; Arif, A.M.; Allred, E.L.","Structural comparisons of a perpendicular diene with known derivatives","Acta Crystallographica Section C","1994","50","5","781","784","10.1107/S0108270193007048","","","0.71073","MoKα","","","0.0376","","","0.0409","","","","","0.899","0.899","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009698","17.352","0.002","17.352","0.002","16.522","0.003","90","","90","","90","","4974.6","1.2","294","","","","","","","","","","","5","I 41 c d","","","","","","- C6 H12 Cl3 Fe S3 -","- C6 H12 Cl3 Fe S3 -","- C96 H192 Cl48 Fe16 S48 -","16","1","HH1079","Ballester, Joanne; Parker, O. Jerry; Breneman, Gary L.","Trichloro(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')iron(III), [FeCl~3~(C~6~H~12~S~3~)]","Acta Crystallographica Section C","1994","50","5","712","714","10.1107/S0108270193012247","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.91","0.91","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2009699","15.93","0.001","10.86","0.002","11.135","0.004","90","","90","","90","","1926.4","0.8","295","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","1","HU1017","Feeder, N.; Jones, W.","3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid","Acta Crystallographica Section C","1994","50","5","813","816","10.1107/S010827019301087X","","","0.71069","MoKα","","","0.05","","","0.05","","","","","1.001","1.001","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009700","5.768","0.002","13.885","0.004","17.136","0.006","90","","90.34","0.03","90","","1372.4","0.8","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O5 -","- C13 H15 N2 O5 -","- C52 H60 N8 O20 -","4","1","HU1017","Feeder, N.; Jones, W.","3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid","Acta Crystallographica Section C","1994","50","5","813","816","10.1107/S010827019301087X","","","0.71069","MoKα","","","0.083","","","0.083","","","","","1.262","1.262","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009701","17.198","0.004","5.14","0.005","12.976","0.004","90","","96.76","0.02","90","","1139.1","1.2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","HU1018","Feeder, N.; Jones, W.","6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)","Acta Crystallographica Section C","1994","50","5","816","820","10.1107/S0108270193010881","","","0.71069","MoKα","","","0.055","","","0.055","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009702","24.22","0.009","9.675","0.006","10.094","0.006","90","","90","","90","","2365","2","295","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C12 H15 N O3 -","- C12 H14 N O3 -","- C96 H112 N8 O24 -","8","1","HU1018","Feeder, N.; Jones, W.","6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)","Acta Crystallographica Section C","1994","50","5","816","820","10.1107/S0108270193010881","","","0.71069","MoKα","","","0.078","","","0.078","","","","","0.922","0.922","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009703","9.604","0.001","11.457","0.002","9.908","0.003","90","","96.58","0.02","90","","1083","0.4","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","HU1018","Feeder, N.; Jones, W.","6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)","Acta Crystallographica Section C","1994","50","5","816","820","10.1107/S0108270193010881","","","0.71069","MoKα","","","0.06","","","0.06","","","","","0.798","0.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009704","6.537","0.004","8.161","0.003","8.45","0.006","70.44","0.02","73.9","0.02","76.42","0.03","403.1","0.4","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H5 N O4 -","- C9 H4 N O4 -","- C18 H8 N2 O8 -","2","1","HU1019","Feeder, N.; Jones, W.","Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide (C~11~H~9~NO~4~)","Acta Crystallographica Section C","1994","50","5","824","827","10.1107/S0108270193010893","","","0.71069","MoKα","","","0.057","","","0.057","","","","","1.21","1.21","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009705","5.078","0.001","37.909","0.007","5.184","0.001","90","","95.59","0.02","90","","993.2","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O4 -","- C11 H8 N O4 -","- C44 H32 N4 O16 -","4","1","HU1019","Feeder, N.; Jones, W.","Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide (C~11~H~9~NO~4~)","Acta Crystallographica Section C","1994","50","5","824","827","10.1107/S0108270193010893","","","0.71069","MoKα","","","0.099","","","0.099","","","","","1.19","1.19","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009706","10","0.002","13.788","0.003","14.216","0.003","90","","149.2","0.02","90","","1003.7","0.7","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H9 N O5 -","- C10 H6 N O5 -","- C40 H24 N4 O20 -","4","1","HU1031","Feeder, N.; Jones, W.","2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic acid monohydrate (II)","Acta Crystallographica Section C","1994","50","5","820","823","10.1107/S010827019301090X","","","0.71069","MoKα","","","0.06","","","0.06","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009707","8.771","0.003","22.553","0.005","7.257","0.002","90","","99.33","0.06","90","","1416.5","0.7","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","HU1031","Feeder, N.; Jones, W.","2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic acid monohydrate (II)","Acta Crystallographica Section C","1994","50","5","820","823","10.1107/S010827019301090X","","","0.71069","MoKα","","","0.054","","","0.054","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009708","11.583","0.001","19.334","0.002","23.416","0.008","90","","98.94","0.02","90","","5180.2","1.9","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Au2 Cl P4 S2 -","- C57 H49 Au2 Cl P4 S2 -","- C228 H196 Au8 Cl4 P16 S8 -","4","1","HU1048","Wang, J.-C.; Liu, L.-K.","[Au~2~(C~6~H~5~CS~2~)(μ-dppm)~2~]Cl","Acta Crystallographica Section C","1994","50","5","704","706","10.1107/S0108270193010911","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.346","1.346","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009709","9.828","0.002","9.922","0.002","13.074","0.003","84.9","0.02","69.74","0.02","84.52","0.02","1188.4","0.5","293","","","","","","","","","","","7","P 1","P 1","1","","","","- C43 H56 Br Cl3 O6 P2 Rh2 -","- C43 H56 Br Cl3 O6 P2 Rh2 -","- C43 H56 Br Cl3 O6 P2 Rh2 -","1","1","HU1056","García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Peris, E.; Lahuerta, P.","Tris(μ-acetato)-μ-[(2-bromophenyl)(<i>o</i>-phenylene)phenylphosphine-<i>C</i>:<i>P</i>]tricyclohexylphosphinedirhodium(II)","Acta Crystallographica Section C","1994","50","5","691","693","10.1107/S0108270193010935","","","0.71073","MoKα","","","0.035","","","0.037","","","","","2.0142","2.0142","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2009710","5.942","0.001","4.868","0.002","20.104","0.005","90","","95.94","0.02","90","","578.4","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl O S -","- C13 H9 Cl O S -","- C26 H18 Cl2 O2 S2 -","2","1","HU1058","Youping, H.; Jianqiu, S.; Genbo, S.","3-(4-Chlorophenyl)-1-(3-thienyl)-2-propen-1-one","Acta Crystallographica Section C","1994","50","5","804","805","10.1107/S0108270193010947","","","0.71069","MoKα","","","0.051","","","0.065","","","","","1.64","1.64","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009711","15.448","0.003","15.448","0.003","15.448","0.003","90","","90","","90","","3686.5","1.2","296","","296","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Triphenylarsine diiodine","","- C18 H15 As I2 -","- C18 H15 As I2 -","- C144 H120 As8 I16 -","8","0.333333","HU1065","Abbas, S.; Godfrey, S.M.; McAuliffe, C.A.; Pritchard, R.G.","A cubic modification of (triphenylarsine)diiodine","Acta Crystallographica Section C","1994","50","5","717","719","10.1107/S0108270193012284","","","0.71069","MoKα","","","0.0414","","","0.0417","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009712","23.223","0.007","13.044","0.003","9.724","0.002","90","","101.46","0.03","90","","2886.9","1.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-8-ethyl-1,1,1-trifluoro-5-trifluoromethyl-3,4,8-triazadeca-(Z)-2,(E)- 4,(E)-6-triene","","- C10 H14 F6 N4 -","- C10 H14 F9 N4 -","- C80 H112 F72 N32 -","8","1","HU1066","Abdul-Ghani, M.; Pritchard, R.G.; Tipping, A.E.","(2<i>Z</i>,4<i>E</i>,6<i>E</i>)-8-Ethyl-1,1,1-trifluoro-5-trifluoromethyl-3,4,8-triazadeca-2,4,6-triene-2-amine: formation of hydrogen-bonded pairs <i>via</i> an amine‒diazine interaction","Acta Crystallographica Section C","1994","50","5","719","721","10.1107/S0108270193012296","","","0.71069","MoKα","","","0.0554","","","0.0684","","","","","2.456","2.456","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009713","5.141","0.003","6.916","0.002","13.25","0.005","75.08","0.03","81.69","0.04","83.08","0.04","448.7","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","(ZZ)-2-Chloro-1,1,1,6,6,6-hexafluoro-3,4-diazahex-2-en-5-one oxime","","- C4 H2 Cl F6 N3 O -","- C4 H2 Cl F6 N3 O -","- C8 H4 Cl2 F12 N6 O2 -","2","1","HU1073","Abdul-Ghani, M.; Pritchard, R.G.; Tipping, A.E.","(<i>Z</i>,<i>Z</i>)-5-Chloro-1,1,1,6,6,6-hexafluoro-3,4-diaza-4-hexen-2-one oxime, formed by the action of hydroxylamine on 2,5-dichlorohexafluoro-3,4-diazahexa-2,4-diene","Acta Crystallographica Section C","1994","50","5","721","722","10.1107/S0108270193012326","","","0.71069","MoKalpha","","","0.054","","","0.058","","","","","2.402","2.402","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009714","7.655","0.007","11.436","0.008","19.541","0.014","90","","107.45","0.07","90","","1632","2","288","2","288","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl (3,3,4,4,5,5-Hexamethylcyclopentanylidene)-1(E),2(E)-diacetate","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","KA1052","Jerzykiewicz, Lucjan B.; Lis, Tadeusz; Baran, Janusz; Dziewońska-Baran, Danuta","Dimethyl[3,3,4,4,5,5-hexamethyl-1(<i>E</i>),2(<i>E</i>)cyclopentandiylidene]diacetate, C~17~H~26~O~4~","Acta Crystallographica Section C","1994","50","5","729","732","10.1107/S0108270193011837","","","1.5418","CuKα","","","0.035","","","0.031","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2009715","10.532","0.002","13.812","0.003","16.048","0.003","90","","90","","90","","2334.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","1","KA1057","Noltemeyer, Mathias; Tietze, Lutz F.; Wölfling, János; Schneider, Gyula","A <small>D</small>-homotestosterone derivative","Acta Crystallographica Section C","1994","50","5","726","727","10.1107/S0108270193012569","","","0.71069","MoKα","","0.0482","0.0419","","0.1254","0.114","","","","1.017","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009716","8.372","0.001","6.257","0.002","22.299","0.002","90","","99.44","0.01","90","","1152.3","0.4","292","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H30 O12 -","- C25 H29 O12 -","- C50 H58 O24 -","2","1","LI1066","Zukerman-Schpector, J.; Castellano, E.E.; Rodrigues Fho, E.; Cursino V., I.J.","A new quassinoid isolated from <i>Picrolemma pseudocoffea</i>","Acta Crystallographica Section C","1994","50","5","794","797","10.1107/S0108270193011357","","","0.71073","MoKα","","","0.045","","","0.049","","","","","1.8","1.8","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009717","14.517","0.003","14.517","0.003","14.517","0.003","90","","90","","90","","3059.4","1.1","298","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","","","","","- Al18 Mg3 Mn2 -","- Al24 Mg3 Mn6 -","- Al192 Mg24 Mn48 -","8","","LI1077","Fun, H.-K.; Lin, H.-C.; Lee, T.-J.; Yip, B.-C.","<i>T</i>-phase Al~18~Mg~3~Mn~2~","Acta Crystallographica Section C","1994","50","5","661","663","10.1107/S0108270193014453","","","0.71069","MoKα","","","0.0269","","","0.0267","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009718","11.151","0.002","29.244","0.004","6.666","0.002","90","","90","","90","","2173.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ORG9768","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C88 H128 Cl8 N8 -","8","1","LI1078","Barnes, John C.; Paton, John D.; Rae, Duncan; Cairns, James; Redpath, James","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","Acta Crystallographica Section C","1994","50","5","728","729","10.1107/S0108270193011254","","","0.71069","MoKα","","0.0654","0.0612","","0.1768","0.1734","","","","1.379","1.393","1.393","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009719","10.487","0.003","9.215","0.002","17.472","0.008","90","","95.52","0.03","90","","1680.6","1","233","","233","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(ZZ)-2-Amino-5-chloro-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene","","- C4 H2 Cl F6 N3 -","- C4 H2 Cl F6 N3 -","- C32 H16 Cl8 F48 N24 -","8","2","LI1087","Abdul-Ghani, M.; Pritchard, R.G.; Tipping, A.E.","(<i>Z</i>,<i>Z</i>)-5-Chloro-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine, in which the amino group is conjugated with a chain double bond","Acta Crystallographica Section C","1994","50","5","722","724","10.1107/S0108270193012909","","","0.71069","MoKα","","","0.0574","","","0.0578","","","","","2.199","2.199","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009720","11.92","0.012","13.299","0.013","17.407","0.013","100.79","0.08","100.88","0.08","116.6","0.08","2304","5","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cl2 O4 P4 Pd2 -","- C48 H42 Cl2 O4 P4 Pd2 -","- C96 H84 Cl4 O8 P8 Pd4 -","2","1","MU1069","Ghaffar, T.; Kieszkiewicz, A.; Nyburg, S.C.; Parkins, A.W.","Di-μ-chlorobis[hydrogen bis(diphenylphosphinito)(1–)-<i>P</i>,<i>P</i>']dipalladium, [Pd~2~Cl~2~{(C~6~H~5~)~2~PO^{···^}H^{···^}OP(C~6~H~5~)~2~}~2~]","Acta Crystallographica Section C","1994","50","5","697","700","10.1107/S010827019301162X","","","0.7107","MoKα","","","0.047","","","0.048","","","","","2.23","2.23","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009721","21.938","0.004","21.938","0.004","6.87","0.001","90","","90","","120","","2863.4","0.8","293","","","","","","","","","","","3","P 61","P 61","","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C126 H180 O12 -","6","1","NA1051","Puliti, R.; De Rosa, S.; Mattia, C. A.","Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i>","Acta Crystallographica Section C","1994","50","5","830","833","10.1107/S0108270193011497","","","1.54056","CuKα","","","0.044","","","0.043","","","","","0.79","0.79","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009722","11.127","0.001","7.575","0.001","12.046","0.001","90","","108.85","0.01","90","","960.87","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-phenyl-1-methyl-5-nitroimidazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","NA1071","Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.","1-Methyl-5-nitro-2-phenylimidazole and 2-(<i>p</i>-aminophenyl)-1-methyl-5-nitroimidazole","Acta Crystallographica Section C","1994","50","5","761","763","10.1107/S0108270193012375","","","0.71069","MoKα","","","0.041","","","0.063","","","","","1.2695","1.2695","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009723","11.864","0.001","7.434","0.001","12.216","0.002","90","","110.05","0.01","90","","1012.1","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(p-aminophenyl)-1-methyl-5-nitroimidazole","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","NA1071","Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.","1-Methyl-5-nitro-2-phenylimidazole and 2-(<i>p</i>-aminophenyl)-1-methyl-5-nitroimidazole","Acta Crystallographica Section C","1994","50","5","761","763","10.1107/S0108270193012375","","","0.71069","MoKα","","","0.037","","","0.04","","","","","0.9902","0.9902","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009724","8.412","0.002","8.412","0.002","8.412","0.002","90","","90","","90","","595.2","0.2","295","2","","","","","","","","","","3","I -4 3 m","I -4 2 3","","","","","- Li3 Nb O4 -","- Li3 Nb O4 -","- Li24 Nb8 O32 -","8","0.166667","OH1036","Ukei, K.; Suzuki, H.; Shishido, T.; Fukuda, T.","Li~3~NbO~4~","Acta Crystallographica Section C","1994","50","5","655","656","10.1107/S010827019300890X","","","0.71073","MoKα","","","0.031","","","0.045","","","","","9.85","9.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009725","8.246","0.006","11.016","0.003","14.74","0.004","90","","96.84","0.04","90","","1329.4","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","OH1051","Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.","Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride","Acta Crystallographica Section C","1994","50","5","807","810","10.1107/S0108270193010583","","","0.71073","MoKα","","","0.041","","","0.031","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009726","11.661","0.002","9.41","0.002","16.224","0.003","90","","103.42","0.01","90","","1731.6","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl N4 O2 -","- C19 H15 Cl N4 O2 -","- C76 H60 Cl4 N16 O8 -","4","1","OH1051","Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.","Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride","Acta Crystallographica Section C","1994","50","5","807","810","10.1107/S0108270193010583","","","0.71073","MoKα","","","0.057","","","0.037","","","","","1.5","1.5","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009727","4.9635","0.0004","21.935","0.002","6.7924","0.0005","90","","101.096","0.006","90","","725.69","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-β-D-Ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one","","- C12 H16 N4 O6 S -","- C12 H16 N4 O6 S -","- C24 H32 N8 O12 S2 -","2","1","OH1058","Liaw, Yen-Chywan; Wang, Andrew H.-J.; Lin, Guo-Sen; Chern, Ji-Wang","3-β-<small>D</small>-Ribofuranosyl-6,7-dihydro-9<i>H</i>-thiazolo[3,2-<i>a</i>]purin-9-one hydrate","Acta Crystallographica Section C","1994","50","5","734","736","10.1107/S0108270193011850","","","1.54178","CuKα","","0.0226","0.0222","","0.06","0.0597","","","","1.078","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009728","11.947","0.002","11.333","0.002","21.114","0.006","109.38","0.02","94.85","0.02","90.33","0.01","2685.4","1.1","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C120 H100 N12 O16 S4 -","4","2","PA1044","Theobald, F.; Rodier, N.; Aubry, C.; Ciamala, K.; Nguyen Dinh An","2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide","Acta Crystallographica Section C","1994","50","5","791","794","10.1107/S0108270193010285","","","1.5418","CuKα","","","0.047","","","0.06","","","","","1.91","1.91","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009729","11.222","0.005","3.917","0.003","26.949","0.007","90","","98.8","0.4","90","","1170.6","1.7","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl N3 O -","- C13 H10 Cl N3 O -","- C52 H40 Cl4 N12 O4 -","4","1","PA1056","Lewanowicz, A.; Baert, F.","2-(2-Hydroxy-5-methylphenyl)-5-chlorobenzotriazole, C~13~H~10~ClN~3~O","Acta Crystallographica Section C","1994","50","5","801","803","10.1107/S0108270193010303","","","0.7107","MoKα","","","0.059","","","0.059","","","","","6.25","6.25","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009730","8.492","0.002","14.067","0.002","12.273","0.002","90","","98.71","0.02","90","","1449.2","0.5","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 P S2 -","- C14 H13 N2 P S2 -","- C56 H52 N8 P4 S8 -","4","1","PA1065","Rodier, N.; Cense, J.-M.; Robert, J.-M.; Robert-Piessard, S.; Courant, J.; Le Baut, G.","3-Sulfure de 3-mercapto-5,7-diméthyl-2-phényl-3<i>H</i>-[1,4,2]diazaphospholo[1,5-<i>a</i>]pyridinium","Acta Crystallographica Section C","1994","50","5","810","813","10.1107/S0108270193010327","","","1.5418","CuKα","","","0.046","","","0.048","","","","","1.31","1.31","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009731","4.038","0.001","12.84","0.003","9.355","0.002","90","","99.91","0.02","90","","477.8","0.19","293","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C22 H16 N8 -","2","0.5","SE1017","Tillmanns, E.; Schwabenländer, F.; Güssregen, S.; Hünig, S.; Metzenthin, T.","<i>N</i>,<i>N</i>'-Dicyano-4,7-indanquinone diimine","Acta Crystallographica Section C","1994","50","5","715","717","10.1107/S0108270193008066","","","0.7093","Mo","","","0.045","","","0.057","","","","","2.7","2.7","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2009732","15.068","0.002","15.068","0.002","32.303","0.006","90","","90","","120","","6351.6","1.7","173","","","","","","","","","","","7","R -3 :H","-R 3","","","","","- C48 H114 Cl12 N4 Na2 O24 Ta6 -","- C48 H114 Cl12 N4 Na2 O24 Ta6 -","- C144 H342 Cl36 N12 Na6 O72 Ta18 -","3","0.166667","SH1052","Beck, U.; Borrmann, H.; Simon, A.","(C~18~H~36~N~2~O~6~Na)~2~[Ta~6~Cl~12~(CH~3~O)~6~].6CH~3~OH with partial substitution of CH~3~O^{-^} by OH^{-^}","Acta Crystallographica Section C","1994","50","5","695","697","10.1107/S0108270193008546","","","0.71073","MoKα","","","0.0424","","","0.0427","","","","","1.2085","1.2085","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2009733","8.31","0.002","16.473","0.007","10.32","0.005","90","","113.6","0.03","90","","1294.6","0.9","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H11 N O2 S3 -","- C11 H11 N O2 S3 -","- C44 H44 N4 O8 S12 -","4","1","SH1057","Krüger, P.; Kustos, M.; Steudel, R.","Methyl 3-(1,3-benzothiazol-2-yldithio)propanoate, C~11~H~11~NO~2~S~3~","Acta Crystallographica Section C","1994","50","5","767","769","10.1107/S0108270193008418","","","0.71069","MoKα","","","0.0422","","","0.0422","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009734","21.647","0.005","11.738","0.002","11.415","0.003","90","","90","","90","","2900.5","1.1","293","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C22 H34 N8 O4 P2 S2 -","- C22 H34 N8 O4 P2 S2 -","- C88 H136 N32 O16 P8 S8 -","4","1","SH1063","Engelhardt, U.; Rosefid, M.","Ein Zwölfring mit Phosphor(V), Kohlenstoff und Dimethylhydrazin als Ringbausteinen und grossen endocyclischen Torsionswinkeln um die N‒N-Bindungen","Acta Crystallographica Section C","1994","50","5","775","777","10.1107/S0108270193008844","","","0.71069","MoKα","","","0.053","","","0.031","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009735","8.011","0.006","12.205","0.01","22.336","0.013","90","","90","","90","","2184","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","lithium bis[methyl α-L-rhamnopyranosid-(2,3)-ato(2-)]cuprate(II) tetrahydrate","","- C14 H32 Cu Li2 O14 -","- C14 H32 Cu Li2 O14 -","- C56 H128 Cu4 Li8 O56 -","4","1","SH1071","Klaassen, Markus; Klüfers, Peter","Polyol metal complexes. VI. Structure of lithium bis[methyl α-<small>L</small>-rhamnopyranosid(2,3)-ato(2‒)]cuprate(II) tetrahydrate","Acta Crystallographica Section C","1994","50","5","686","688","10.1107/S0108270193010522","","","0.71069","MoKα","","0.0397","0.0288","","0.0681","0.0643","","","","1.031","1.054","1.054","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009736","9.932","0.003","11.2","0.01","14.08","0.01","74.1","0.05","75.54","0.04","71.53","0.03","1405.8","1.7","298","","298","","","","","","","","","4","P -1","-P 1","2","","1-tert-butyl-2,4,6-trimethyl-3,5-dinitrobenzene","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","2","SH1072","De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4)","Acta Crystallographica Section C","1994","50","5","749","753","10.1107/S0108270193011242","","","1.5418","CuKα","","0.061","0.061","","0.089","0.089","","","","0.281","0.281","0.281","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009737","5.4224","0.0009","8.975","0.001","12.094","0.002","77.82","0.009","84.19","0.02","76.46","0.01","558.5","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","1-Bromo-3,5-dimethyl-2,4,6-trinitrobenzene","","- C8 H6 Br N3 O6 -","- C8 H6 Br N3 O6 -","- C16 H12 Br2 N6 O12 -","2","1","SH1072","De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4)","Acta Crystallographica Section C","1994","50","5","749","753","10.1107/S0108270193011242","","","1.5418","CuKα","","0.073","0.073","","0.095","0.095","","","","0.286","0.286","0.286","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009738","10.22","0.02","10.22","0.02","10.22","0.02","90","","90","","90","","1067","4","293","","","","","","","","","","","3","I 2 3","I 2 2 3","","","","","- Bi12.5 O19.5 Tl0.5 -","- Bi12.5 O19.52 Tl0.5 -","- Bi25 O39.04 Tl -","2","0.0833333","SH1073","Radaev, S. F.; Trömel, M.; Kargin, Y. F.; Marin, A. A.; Rider, E. E.; Sarin, V. A.","Bi~12~(Bi~0.5~^III^Tl~0.5~^III^)O~19.50~","Acta Crystallographica Section C","1994","50","5","656","659","10.1107/S0108270193011205","","neutron","1.167","neutron","","","0.0172","","","0.0145","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009739","6.944","0.001","20.42","0.002","5.836","0.001","90","","114.15","0.01","90","","755.1","0.19","295","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","","","","","- P2 Se5 -","- P2 Se5 -","- P8 Se20 -","4","1","SH1075","Blachnik, R.; Lönnecke, P.","P~2~Se~5~","Acta Crystallographica Section C","1994","50","5","659","661","10.1107/S0108270193010534","","","0.7093","MoKα","","","0.035","","","0.034","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009740","20.845","0.004","7.927","0.001","17.08","0.003","90","","91.61","0.01","90","","2821.2","0.8","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C120 H112 Br8 N8 O16 -","8","2","SH1077","Berger, B.; Bolte, M.","3-Bromo-6-methylamino-2'-methoxybenzophenone","Acta Crystallographica Section C","1994","50","5","773","775","10.1107/S0108270193011217","","","1.5418","CuKα","","","","","","","","","","","5.1","5.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009741","10.213","0.002","8.151","0.001","17.671","0.003","90","","94.83","0.02","90","","1465.8","0.4","196","","196","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-acetyl-1,1,3,3,5,6-hexamethylindan","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","1","SH1084","De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. IX. 4-Acetyl-1,1,3,3,5,6-hexamethylindan","Acta Crystallographica Section C","1994","50","5","753","755","10.1107/S0108270193012399","","","1.5418","CuKα","","0.05","0.05","","0.064","0.064","","","","0.159","0.159","0.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009742","13.327","0.001","7.0693","0.0009","14.115","0.001","90","","104.588","0.009","90","","1286.9","0.2","231","","231","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","SH1085","De Ridder, Dirk J. A.; Fraanje, Jan; Schenk, Henk; 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one","Crystal studies of musk compounds. X. 1,1,2,3,3-Pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one","Acta Crystallographica Section C","1994","50","5","755","757","10.1107/S0108270193012405","","","1.5418","CuKα","","0.084","0.084","","0.11","0.11","","","","0.268","0.268","0.268","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009743","6.648","0.003","20.473","0.005","6.4","0.003","90","","90","","90","","871.1","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-deoxynojirimycin hydrochloride","1,5-Dideoxy-1,5-iminium-glucitol chloride","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","SH1087","Linden, Anthony; Hoos, Roland; Vasella, Andrea","1-Deoxynojirimycin hydrochloride","Acta Crystallographica Section C","1994","50","5","746","749","10.1107/S0108270193012417","","","0.71069","MoKα","","0.0285","0.0233","","0.0256","0.025","","","","","1.583","1.583","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009744","10.805","0.001","10.114","0.001","13.11","0.001","90","","90","","90","","1432.7","0.2","296","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C8 H16 Cl3 In O2 -","- C8 H16 Cl3 In O2 -","- C32 H64 Cl12 In4 O8 -","4","0.5","ST1063","Whittlesey, B. R.; Ittycheriah, I. P.","Trichlorobis(tetrahydrofuran)indium(III)","Acta Crystallographica Section C","1994","50","5","693","695","10.1107/S0108270193010613","","","0.71073","MoKα","","","0.0347","","","0.033","","","","","1.52","1.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009745","12.628","0.002","14.679","0.004","13.644","0.003","90","","102.25","0.02","90","","2471.6","1","183","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H37 Li O2 Se Si4 -","- C13 H37 Li O2 Se Si4 -","- C52 H148 Li4 O8 Se4 Si16 -","4","1","ST1075","Flick, Karen E.; Bonasia, Philip J.; Gindelberger, David E.; Katari, Janet E. B.; Schwartz, David","Lithium tris(trimethylsilyl)silylselenolate mono(1,2-dimethoxyethane)","Acta Crystallographica Section C","1994","50","5","674","675","10.1107/S0108270193007206","","","0.71073","MoKα","","","0.028","","","0.03","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009746","9.384","0.002","12.059","0.003","4.595","0.002","95.32","0.03","95.97","0.03","110.13","0.02","480.9","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 Cl N2 O S -","- C9 H5 Cl N2 O S -","- C18 H10 Cl2 N4 O2 S2 -","2","1","AB1087","Ergi̇n, O.; Sillanpää, R.; Safak, C.; Calis, İ.","(5-Chloro-1,3-benzoxazol-2-ylthio)acetonitrile","Acta Crystallographica Section C","1994","50","6","933","935","10.1107/S0108270193011928","","","0.71069","MoKα","","","0.066","","","0.079","","","","","2.38","2.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009747","6.612","0.001","7.685","0.001","17.191","0.002","90","","90","","90","","873.5","0.2","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 O7 -","- C7 H12 O7 -","- C28 H48 O28 -","4","1","AB1093","Søtofte, I.","<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)","Acta Crystallographica Section C","1994","50","6","938","941","10.1107/S0108270193010212","","","0.71073","MoKα","","","0.039","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009748","5.781","0.002","19.526","0.003","20.538","0.004","90","","90","","90","","2318.3","1","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C21 H24 O11 S2 -","- C21 H24 O11 S2 -","- C84 H96 O44 S8 -","4","1","AB1093","Søtofte, I.","<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)","Acta Crystallographica Section C","1994","50","6","938","941","10.1107/S0108270193010212","","","0.71073","MoKα","","","0.071","","","0.046","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009749","16.548","0.007","14.854","0.008","5.377","0.009","90","","90","","90","","1322","2","120","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C32 H56 O40 S8 -","4","1","AB1094","Søtofte, I.","2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","1.5418","CuKα","","","0.081","","","0.106","","","","","1.23","1.23","","","","","has coordinates","198513","2020-10-21","18:00:00",""
"2009750","10.277","0.002","5.26","0.002","12.07","0.003","90","","93.36","0.02","90","","651.3","0.3","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C16 H28 O20 S4 -","2","1","AB1094","Søtofte, I.","2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.21","1.21","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009751","5.711","0.003","8.941","0.003","12.99","0.005","90","","101.71","0.03","90","","649.5","0.5","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C16 H28 O20 S4 -","2","1","AB1094","Søtofte, I.","2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.19","1.19","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009752","9.2287","0.0009","14.191","0.0012","23.2013","0.0015","90","","95.835","0.006","90","","3022.8","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,2,2-Triphenylethanol","2,2,2-Triphenylethanol","","- C20 H18 O -","- C20 H18 O -","- C160 H144 O8 -","8","2","AB1164","Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","2,2,2-Triphenylethanol: a hydrogen-bonded tetramer based upon a centrosymmetric <i>R</i>~4~^4^(8) motif","Acta Crystallographica Section C","1994","50","6","928","931","10.1107/S0108270194002179","","","0.71067","MoKα","","0.041","0.041","","0.061","0.061","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009753","13.5889","0.0017","13.752","0.003","9.7843","0.001","90","","101.785","0.01","90","","1789.9","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracarbonyl[1-phenyl-N-(2-pyridylmethylidene)ethylamine-N,N']molybdenum(0)","","- C18 H14 Mo N2 O4 -","- C18 H14 Mo N2 O4 -","- C72 H56 Mo4 N8 O16 -","4","1","AB1177","Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.","Tetracarbonyl[1-phenyl-<i>N</i>-(2-pyridylmethylidene)ethylamine-<i>N</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","1994","50","6","854","857","10.1107/S0108270194003197","","","0.71069","MoKα","","0.025","0.025","","0.031","0.031","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009754","7.22","0.002","9.528","0.002","32.344","0.007","90","","90","","90","","2225","0.9","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","AL1065","Woudenberg, R. H.; Koningsveld, H. V.; Maat, L.","Structure of a Diels‒Alder adduct at a 5,7-disubstituted thebaine derivative","Acta Crystallographica Section C","1994","50","6","913","915","10.1107/S0108270193010777","","","0.71073","MoKα","","","5.6","","","5.3","","","","","3.6","3.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009755","10.165","0.002","10.191","0.002","11.004","0.002","66.77","0.01","70.41","0.01","87.56","0.01","981.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","Di-chloro-4,7-diphenyl-1,10-phenantroline copper (II).","","- C24 H16 Cl2 Cu N2 -","- C24 H16 Cl2 Cu N2 -","- C48 H32 Cl4 Cu2 N4 -","2","1","AS1079","Atria, A.M.; Baggio, R.F.; Garland, M.T.; Spodine, E.","Di-μ-chlorobis[chloro(4,7-diphenyl-1,10-phenanthroline)copper(II)]","Acta Crystallographica Section C","1994","50","6","864","866","10.1107/S010827019301217X","","","0.71073","MoKα","","6.25","0.036","","6.25","0.036","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009756","7.71","0.001","8.132","0.001","11.024","0.002","90","","108.16","0.01","90","","656.75","0.17","291","1","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-selenocyanatopyridine","","- C6 H4 N2 Se -","- C6 H4 N2 Se -","- C24 H16 N8 Se4 -","4","1","AS1090","Dunne, S. J.; Summers, L. A.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","3-Selenocyanatopyridine","Acta Crystallographica Section C","1994","50","6","971","974","10.1107/S0108270193013927","","","1.5418","CuKα","","","0.038","","","0.058","","","","","2.82","2.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009757","11.14","0.01","27.092","0.003","7.179","0.004","90","","90","","90","","2167","2","293","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Hg O2 S -","- C9 H10 Hg O S2 -","- C72 H80 Hg8 O8 S16 -","8","1","AS1099","Tiekink, Edward R.T.","(<i>O</i>-Ethyl dithiocarbonato-κ<i>S</i>)phenylmercury, [Hg(C~3~H~5~OS~2~)(C~6~H~5~)]","Acta Crystallographica Section C","1994","50","6","861","862","10.1107/S0108270194000259","","","0.71073","MoKα","","0.215","0.043","","0.178","0.047","","","","4.81","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009758","16.786","0.001","15.099","0.001","13.291","0.002","90","","90","","90","","3368.6","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Propyl 12-carboxy-9,10-dihydro-9,10- ethenoanthracene-11-carboxylate","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","BK1006","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","Isopropyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","6","922","924","10.1107/S0108270193014003","","","1.5418","CopperKα","","0.122","0.055","","0.081","0.077","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009759","14.402","0.002","27.795","0.004","4.152","0.001","90","","90","","90","","1662.1","0.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C4 H6 N8 O4 -","- C4 H6 N8 O4 -","- C32 H48 N64 O32 -","8","0.5","BK1017","Flippen-Anderson, Judith L.; Kony, Michael; Dagley, Ian J.","A high-density thermally stable explosive: octahydro-2,5-bis(nitroimino)imidazo[4,5-<i>d</i>]imidazole","Acta Crystallographica Section C","1994","50","6","974","976","10.1107/S010827019400048X","","","1.54178","CuKα","","0.0471","0.0455","","0.1279","0.1238","","","","1.147","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009760","10.075","0.002","10.17","0.003","15.015","0.004","71.27","0.03","74.01","0.02","64.28","0.02","1295.8","0.6","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cl2 N2 O2 P Re -","- C27 H26 Cl2 N2 O2 P Re -","- C54 H52 Cl4 N4 O4 P2 Re2 -","2","1","BR1050","Lebuis, A. -M.; Beauchamp, A. L.","(<i>OC</i>-6-14)-(7-Azaindole)dichloro(ethoxo)oxo(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1994","50","6","882","884","10.1107/S0108270193011734","","","0.7093","MoKα","","","0.038","","","0.039","","","","","1.3","1.3","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009761","10.613","0.001","13.313","0.003","15.272","0.003","92.96","0.02","94.73","0.01","92.75","0.02","2144.6","0.7","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H35 Cl3 F6 N P3 Pt S -","- C42 H30 Cl3 F6 N P3 Pt S -","- C84 H60 Cl6 F12 N2 P6 Pt2 S2 -","2","1","BR1051","Wang, S.; Staples, R.J.; Fackler, J.P.","(Pyridine-2-thiolato-<i>N</i>,<i>S</i>)bis(triphenylphosphine)platinum(II) hexafluorophosphate chloroform solvate","Acta Crystallographica Section C","1994","50","6","889","891","10.1107/S0108270193011813","","","0.71073","Mo","","","0.0399","","","0.0521","","","","","1.241","1.241","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009762","7.904","0.002","9.46","0.002","10.261","0.002","101.2","0.2","92.74","0.02","110.22","0.02","700.7","0.7","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Br10 Cu4 N4 O2 -","- C10 H18 Br10 Cu4 N4 O2 -","- C10 H18 Br10 Cu4 N4 O2 -","1","0.5","CD1014","Place, H.; Willett, R.","Bis(4-aminopyridinium) hexabromodicuprate(II) diaquatetrabromodicopper(II)","Acta Crystallographica Section C","1994","50","6","862","864","10.1107/S0108270193004950","","","0.71069","Mo","","","0.0604","","","0.073","","","","","1.43","1.43","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009763","29.868","0.007","12.567","0.004","14.705","0.005","90","","90","","90","","5520","3","293","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C29 H43 O11 -","- C29 H39.5 O10.75 -","- C232 H316 O86 -","8","2","CD1053","Hernández-Quiroz, T.; Soriano-García, M.; Rodríguez-Romero, A.; Valencia, C.; Hernández, L.; Aguirre-García, F.","[2α(2<i>S</i>,3<i>S</i>,4<i>R</i>,6<i>R</i>),3β,5α]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2<i>H</i>-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide dihydrate (calactin), C~29~H~39~O~9~.2H~2~O, a cardenolide from <i>Asclepias linaria</i>","Acta Crystallographica Section C","1994","50","6","935","938","10.1107/S0108270193010790","","","1.5418","CuKα","","","0.064","","","0.081","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009764","8.238","0.002","8.968","0.002","25.165","0.005","90","","90","","90","","1859.1","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","2","CR1055","Pollagi, T.P.; Geib, S.J.; Hopkins, M.D.","2-Methyl-4-(4-pyridyl)-3-butyn-2-ol: a two-dimensional hydrogen-bond network","Acta Crystallographica Section C","1994","50","6","910","913","10.1107/S0108270193010455","","","1.54178","CuKα","","","0.0664","","","0.0971","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009765","7.0557","0.0007","7.0557","0.0007","12.9669","0.0009","90","","90","","120","","559.05","0.09","296","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O10 S2 -","- H6 La3 Na3 O30 S6 -","3","0.5","CR1065","Blackburn, A.C.; Gerkin, R.E.","Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1994","50","6","835","838","10.1107/S0108270193010066","","","0.71073","MoKᾱ","","","0.014","","","0.024","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009766","13.764","0.005","7.787","0.007","18.047","0.009","90","","92.83","0.03","90","","1932","2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","CR1094","Joseph, S.P.; Comins, D.L.; Singh, P.","An unusual C-4a hydroxylated decahydroquinolone","Acta Crystallographica Section C","1994","50","6","950","952","10.1107/S0108270193014404","","","0.71069","MoKα","","","0.048","","","0.05","","","","","1.4","1.4","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009767","11.701","0.001","11.067","0.001","10.55","0.001","90","","90","","90","","1366.2","0.2","295","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Cl6 H12 N4 Pt Sn -","- Cl6 H12 N4 Pt Sn -","- Cl24 H48 N16 Pt4 Sn4 -","4","0.25","DU1058","Garnier, E.; El Mouahid, A.; Černák, J.","Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~]","Acta Crystallographica Section C","1994","50","6","845","847","10.1107/S0108270193011990","","","0.7093","MoKα","","","0.0361","","","0.0462","","","","","2.26","2.26","","","","","has coordinates","198528","2020-10-21","18:00:00",""
"2009768","7.197","0.001","8.27","0.001","22.684","0.001","90","","90","","90","","1350.1","0.3","291","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H19 B N O2 P -","- C12 H19 B N O2 P -","- C48 H76 B4 N4 O8 P4 -","4","1","DU1059","Brunel, J.M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.P.","A (2<i>R</i>,5<i>S</i>)-2-<i>o</i>-anisyl-3-oxa-1-aza-2-phosphabicyclo[3.3.0]octane‒borane complex","Acta Crystallographica Section C","1994","50","6","954","955","10.1107/S0108270193011606","","","1.5418","CuKα","","","0.054","","","0.057","","","","","0.6","0.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009769","4.7833","0.0006","6.9698","0.0008","7.7644","0.0008","89.41","0.01","87.77","0.01","73.16","0.01","247.6","0.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","1","0.5","","Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M.M.; Raveau, B.","CdV~2~(P~2~O~7~)~2~","Acta Crystallographica Section C","1994","50","","840","842","","","","","","","","0.021","","","0.022","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009770","9.369","0.001","10.762","0.003","11.51","0.001","76.31","0.01","72.18","0.01","64.14","0.02","987","0.3","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 N5 O3 -","- C18 H28 N5 O3 -","- C36 H56 N10 O6 -","2","1","HA1054","Velmurugan, D.; Govindasamy, L.; Subramanian, E.; Rajendran, T.M.; Kandaswamy, M.","2,6-Bis[(4-methyl-1-piperazinyl)methyl]-4-nitrophenol","Acta Crystallographica Section C","1994","50","6","931","933","10.1107/S0108270193010273","","","1.5418","CuKα","","","0.058","","","0.073","","","","","0.574","0.574","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009771","11.426","0.001","16.09","0.001","11.359","0.001","90","","118.37","0.01","90","","1837.5","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 N5 O3 S -","- C22 H17 N5 O3 S2 -","- C88 H68 N20 O12 S8 -","4","1","HA1059","Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K.","2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1994","50","6","952","954","10.1107/S0108270193011461","","","1.54178","CuKα","","","0.068","","","0.068","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009772","7.437","0.003","13.176","0.004","6.21","0.002","92","0.03","96.9","0.03","91.76","0.03","603.4","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","N-(pentafluorobenzylidine)-p-methylaniline","","- C14 H8 F5 N -","- C14 H8 F5 N -","- C28 H16 F10 N2 -","2","1","HA1078","Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.","<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines","Acta Crystallographica Section C","1994","50","6","967","971","10.1107/S010827019400003X","","","0.71069","MoKα","","","0.042","","","0.0461","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009773","7.366","0.007","12.411","0.002","6.312","0.002","100.13","0.02","94.28","0.05","86.69","0.04","565.9","0.6","295","","22","","","","","","","","","5","P -1","-P 1","2","","1,2,3,4-tetrafluoro-7-ethoxyacridine","","- C14 H7 F4 N O -","- C14 H7 F4 N O -","- C28 H14 F8 N2 O2 -","2","1","HA1078","Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.","<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines","Acta Crystallographica Section C","1994","50","6","967","971","10.1107/S010827019400003X","","","1.5418","CuKα","","","0.0779","","","0.0883","","","","","3.237","3.237","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009774","8.27","0.005","10.721","0.005","5.995","0.002","102.56","0.03","92.6","0.04","83.3","0.03","515.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","1,2,3,4,7-pentafluoroacridine","","- C13 H4 F5 N -","- C13 H4 F5 N -","- C26 H8 F10 N2 -","2","1","HA1078","Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.","<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines","Acta Crystallographica Section C","1994","50","6","967","971","10.1107/S010827019400003X","","","0.71069","MoKα","","","0.0447","","","0.0531","","","","","2.145","2.145","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009775","5.871","0.004","7.889","0.003","34.83","0.009","90","","91.23","0.04","90","","1612.8","1.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-p-methylanilino-1,2,4-trifluoro-7-methylacridine","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C84 H60 F12 N8 -","4","1","HA1078","Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.","<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines","Acta Crystallographica Section C","1994","50","6","967","971","10.1107/S010827019400003X","","","0.71069","MoKα","","","0.0683","","","0.0662","","","","","4.253","4.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009776","13.322","0.004","5.367","0.002","16.266","0.005","90","","112.88","0.02","90","","1071.5","0.6","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-6-phenyl-(E)-hex-5-enoate","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","HA1079","Clegg, William; Jackson, Richard F.W.; O'Neil, Paul A.; Wishart, Neil","An enantiomerically pure 4-oxo-α-amino acid derivative","Acta Crystallographica Section C","1994","50","6","965","967","10.1107/S0108270194000041","","","0.71073","MoKα","","0.0506","0.0341","","0.0924","0.0822","","","","1.062","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009777","7.7221","0.0008","14.915","0.002","11.8191","0.0014","90","","95.351","0.009","90","","1355.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenyl(4-pyridyl)methanol","Diphenyl(4-pyridyl)methanol","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","HA1086","Glidewell, Christopher; Ferguson, George","Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine","Acta Crystallographica Section C","1994","50","6","924","928","10.1107/S0108270193014209","","","0.71067","MoKα","","0.141","0.043","","0.065","0.049","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009778","6.0541","0.0005","13.4943","0.0013","17.603","0.002","90","","90","","90","","1438.1","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","triphenylmethylamine","Triphenylmethylamine","","- C19 H17 N -","- C19 H17 N -","- C76 H68 N4 -","4","1","HA1086","Glidewell, Christopher; Ferguson, George","Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine","Acta Crystallographica Section C","1994","50","6","924","928","10.1107/S0108270193014209","","","0.71067","MoKα","","0.053","0.029","","0.046","0.044","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009779","7.149","0.002","12.1026","0.0011","7.8726","0.0008","90","","99.54","0.02","90","","671.7","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-dimethoxydibenzyl","","- C16 H18 O2 -","- C16 H18 O2 -","- C32 H36 O4 -","2","0.5","HA1088","Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N","2,2'-Dimethoxybibenzyl","Acta Crystallographica Section C","1994","50","6","976","977","10.1107/S0108270193014544","","","0.7093","MoKα","","0.066","0.044","","0.072","0.069","","","","","2.11","2.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009780","13.34","0.002","10.109","0.002","17.589","0.003","90","","90","","90","","2371.9","0.7","294","","","","","","","","","","","5","P b c n","","","","","","- C26 H16 Mn N6 S2 -","- C26 H16 Mn N6 S2 -","- C104 H64 Mn4 N24 S8 -","4","0.5","HH1078","Holleman, Susan R.; Parker, O. Jerry; Breneman, Gary L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)manganese(II), [Mn(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1994","50","6","867","869","10.1107/S0108270193012892","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009781","15.743","0.005","57.01","0.03","3.962","0.001","90","","90","","90","","3556","2","296","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H12 Br2 Cd N4 O6 -","- C12 H12 Br2 Cd N4 O6 -","- C96 H96 Br16 Cd8 N32 O48 -","8","0.5","HL1040","Hu, S.-Z.; Shi, D.-S.; Huang, Y.-Q.; Li, S.-X.; Yang, Y.-C.","A 1:2 addition compound of cadmium bromide with 3-methyl-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section C","1994","50","6","893","895","10.1107/S0108270193011473","","","0.71073","MoKα","","","0.036","","","0.038","","","","","1.208","1.208","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009782","11.045","0.003","21.031","0.003","23.151","0.003","102.99","0.02","102.47","0.02","103.06","0.02","4898.9","1.9","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Ir N3 O2 P4 -","- C54 H44 Ir N3 O2 P4 -","- C216 H176 Ir4 N12 O8 P16 -","4","2","HU1055","Wang, J.-C.; Chou, L.-Y.; Hsien, W.-Y.; Liu, L.-K.","[Ir(dppm)~2~(O~2~)](C~4~N~3~)","Acta Crystallographica Section C","1994","50","6","879","882","10.1107/S0108270193010923","","","0.71073","MoKα","","","0.057","","","0.07","","","","","1.816","1.816","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009783","13.488","0.006","13.488","0.006","65.5","0.03","90","","90","","120","","10320","8","108","2","108","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(μ~3~-iodo)(μ~3~-tetraselenidotungstide)tris(dimethylphenylphosphinesilver)","","- C24 H33 Ag3 I P3 Se4 W -","- C24 H33 Ag3 I P3 Se4 W -","- C288 H396 Ag36 I12 P36 Se48 W12 -","12","0.333333","HU1076","Ansari, Mohammad A.; Bollinger, John C.; Christuk, Christopher C.; Ibers, James A.","Synthesis and structure of [(μ~3~-I)(μ~3~-WSe~4~){Ag(PMe~2~Ph)}~3~]","Acta Crystallographica Section C","1994","50","6","869","871","10.1107/S0108270193012338","","","0.7093","MoKα~1~","","0.074","0.05","","0.129","0.121","","","","1.35","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009784","6.562","0.001","13.583","0.003","22.488","0.004","90","","90","","90","","2004.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methoxy-16,16-dimethyl-5α-andrstan-17-one","","- C22 H36 O2 -","- C22 H36 O2 -","- C88 H144 O8 -","4","1","KA1056","Wölfling, János; Schneider, Gyula; Noltemeyer, Mathias; Tietze, Lutz F.","3-Methoxy-16,16-dimethyl-5α-androstan-17-one","Acta Crystallographica Section C","1994","50","6","964","965","10.1107/S0108270193012557","","","0.71072","MoKα","","0.0445","0.0363","","0.1105","0.096","","","","1.037","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009785","4.733","0.001","17.305","0.001","19.243","0.001","90","","90","","90","","1576.1","0.4","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","","","","","- C9 H13.5 Br N3 Na O9.25 P -","- C9 H11 Br N3 Na O11 P -","- C36 H44 Br4 N12 Na4 O44 P4 -","4","1","LI1008","Mande, S.S.; Seshadri, T.P.; Viswamitra, M.A.","Effects of halogen substitution in nucleic acid components. Structure of sodium 5-bromocytidine 5'-phosphate hydrate","Acta Crystallographica Section C","1994","50","6","876","879","10.1107/S010827019300945X","","","1.5418","Cu","","","0.044","","","0.049","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009786","8.674","0.001","13.293","0.001","12.67","0.003","90","","92.55","0.02","90","","1459.4","0.4","292","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","1","LI1067","Zukerman-Schpector, J.; Pinto, A.Da.C.; Da Silva, J.F.M.; Barcellos, M.T.F.C.; Pires, S.S.; Fraiz, S.V. Jr","Diethyl (2,3-dihydro-2-oxo-3-indolylidene)propanedioate","Acta Crystallographica Section C","1994","50","6","945","946","10.1107/S0108270193011369","","","0.71073","MoKα","","","0.06","","","0.067","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009787","10.257","0.003","16.941","0.007","14.13","0.007","90","","90","","90","","2455.3","1.7","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H7 Ga3 N O13 P3 -","- C H6 Ga3 N O13 P3 -","- C8 H48 Ga24 N8 O104 P24 -","8","1","LI1069","Glasser, F.P.; Howie, R.A.; Kan, Q.","Methylammonium tris(galliophosphate)hydroxide","Acta Crystallographica Section C","1994","50","6","848","850","10.1107/S0108270193011163","","","0.71005","MoKα","","","0.031","","","0.057","","","","","1.0561","1.0561","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2009788","5.9826","0.0009","10.1528","0.0007","21.785","0.003","90","","90","","90","","1323.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Ferrocenyl-2,2-methylpropan-1-ol","1-Ferrocenyl-2,2-methylpropan-1-ol #93-28cg C~5~H~5~-Fe-C~5~H~4~-CH(OH)-t-Bu","","- C15 H20 Fe O -","- C15 H20 Fe O -","- C60 H80 Fe4 O4 -","4","1","LI1086","Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)","Acta Crystallographica Section C","1994","50","6","857","861","10.1107/S0108270193013654","","","0.71067","MoKα","","0.056","0.032","","0.046","0.04","","","","","0.99","0.99","","","","","has coordinates,has disorder","190523","2020-10-21","18:00:00",""
"2009789","7.1486","0.0004","12.4464","0.0008","16.4802","0.0009","90","","97.609","0.004","90","","1453.4","0.15","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol)","2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol) # Fe[C~5~H~4~-CMe~2~-OH]2","","- C16 H22 Fe O2 -","- C16 H22 Fe O2 -","- C64 H88 Fe4 O8 -","4","1","LI1086","Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)","Acta Crystallographica Section C","1994","50","6","857","861","10.1107/S0108270193013654","","","0.710069","MoKα","","0.031","0.026","","0.045","0.044","","","","","1.64","1.64","","","","","has coordinates","190440","2020-10-21","18:00:00",""
"2009790","9.333","0.011","9.183","0.008","9.162","0.007","88.45","0.06","102.57","0.02","93.76","0.04","764.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","AlPO4-CHA","","","- C4 H10 Al3 F N O13 P3 -","- C4 H10 Al3 F N O13 P3 -","- C8 H20 Al6 F2 N2 O26 P6 -","2","1","LI1095","Harding, Marjorie M.; Kariuki, B. M.","Microcrystal structure determination of AlPO~4~-CHA using synchrotron radiation","Acta Crystallographica Section C","1994","50","6","852","854","10.1107/S0108270194000326","","","0.895","Synchrotron","","0.1388","0.0806","","0.2097","0.1889","","","","0.838","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009791","7.871","0.007","10.233","0.004","13.318","0.002","90","","102.4","0.09","90","","1047.7","1.1","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N4 O6 Zn -","- C6 H10 N4 O6 Zn -","- C24 H40 N16 O24 Zn4 -","4","1","MU1067","Menabue, L.; Saladini, M.","<i>catena</i>-Poly[zinc(II)-bis{μ-(<i>N</i>-carbamoylglycinato)}-<i>O</i>:<i>O</i>'';<i>O</i>'':<i>O</i>], [Zn(C~3~H~5~N~2~O~3~)~2~]","Acta Crystallographica Section C","1994","50","6","887","889","10.1107/S0108270193011564","","","0.71069","MoKα","","","0.048","","","0.048","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009792","36.378","0.007","15.89","0.003","12.115","0.002","90","","102.07","0.03","90","","6848","2","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C36 H25 Cl2 Fe N6 O9 -","- C36 H24 Cl1.5 Fe N6 O8.25 -","- C288 H192 Cl12 Fe8 N48 O66 -","8","1","MU1068","Koh, L. L.; Xu, Y.; Hsieh, A. K.; Song, B.; Wu, F.; Liangnian, J.","Tris(1,10-phenanthroline)iron(II) diperchlorate hemihydrate","Acta Crystallographica Section C","1994","50","6","884","886","10.1107/S0108270193011618","","","0.71073","MoKα","","","0.08","","","0.081","","","","","1.71","1.71","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009793","12.027","0.002","24.22","0.007","13.904","0.005","90","","92.02","0.02","90","","4048","2","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Cl Li Nd O3 -","- C39 H63 Cl Li Nd O3 -","- C156 H252 Cl4 Li4 Nd4 O12 -","4","1","MU1076","Guan, J.; Shen, Q.; Jin, S.; Lin, Y.","Tris(<i>tert</i>-butylcyclopentadienyl)neodymium-μ-chloro-tris(tetrahydrofuran)lithium, [Nd(η^5^-^<i>t^</i>BuCp)~3~(μ-Cl)Li(thf)~3~]","Acta Crystallographica Section C","1994","50","6","891","893","10.1107/S010827019301193X","","","0.71069","MoKα","","","0.038","","","0.036","","","","","1.48366","1.48366","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009794","8.856","0.001","8.856","0.001","7.017","0.002","90","","90","","120","","476.6","0.16","113","1","113","1","","","","","","","","6","P -3 m 1","","","","Litium bis(tetramethylammonium) hexanitrocobaltate(III)","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","MU1078","Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo","Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K","Acta Crystallographica Section C","1994","50","6","871","874","10.1107/S0108270193011588","","","0.71069","MoKαmean","","","0.0292","","","0.0765","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009795","8.979","0.006","8.979","0.006","7.053","0.005","90","","90","","120","","492.4","0.6","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Lithium bis(tetramethylammonium) hexanitrocobaltate(III)","","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","- C8 H24 Co Li N8 O12 -","1","0.0833333","MU1078","Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo","Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K","Acta Crystallographica Section C","1994","50","6","871","874","10.1107/S0108270193011588","","","0.71069","MoKαmean","","","0.021","","","0.0609","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009796","6.706","0.001","7.159","0.001","7.216","0.001","100.64","0.01","105.4","0.01","62.66","0.01","295.89","0.08","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 B10 O4 -","- C4 H12 B10 O4 -","- C4 H12 B10 O4 -","1","0.5","NA1058","Centore, R.; Ciajolo, M.R.; Tuzi, A.; Komarova, L.G.; Rusanov, A.L.; Vasnev, V.A.","Crystal and molecular structure of 1,12-dicarboxy-1,12-dicarba-<i>closo</i>-dodecaborane(12), C~4~H~12~B~10~O~4~","Acta Crystallographica Section C","1994","50","6","905","907","10.1107/S0108270193011783","","","1.5418","CuKα","","","0.046","","","0.06","","","","","2.856","2.856","","","","","has coordinates,has disorder","278247","2022-09-28","15:09:32",""
"2009797","7.815","0.001","10.019","0.001","9.338","0.001","90","","93.58","0.01","90","","729.72","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","hydrazinium(1+) hexafluorotitanate(IV)","","- F6 H10 N4 Ti -","- F6 H10 N4 Ti -","- F24 H40 N16 Ti4 -","4","2","NA1062","Leban, Ivan; Jesih, Adolf; Rahten, Anka","Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^}","Acta Crystallographica Section C","1994","50","6","842","843","10.1107/S0108270193011795","","","0.7107","MoKα","","0.0653","0.0355","","0.104","0.0923","","","","1.04","1.069","1.069","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009798","7.769","0.001","6.575","0.001","15.258","0.003","90","","95.49","0.04","90","","775.8","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-methyl-2-methylthio-5-nitroimidazole","","- C5 H7 N3 O2 S -","- C5 H7 N3 O2 S -","- C20 H28 N12 O8 S4 -","4","1","NA1068","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","1-Methyl-2-methylthio-5-nitroimidazole, C~5~H~7~N~3~O~2~S","Acta Crystallographica Section C","1994","50","6","919","921","10.1107/S0108270193012521","","","0.71069","MoKα","","","0.038","","","0.062","","","","","0.9616","0.9616","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009799","7.088","0.001","7.116","0.001","24.935","0.003","90","","95.03","0.01","90","","1252.8","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-nitro-2-styryl-1-imidazolyl)ethanol","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","NA1069","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","2-(5-Nitro-2-styryl-1-imidazolyl)ethanol","Acta Crystallographica Section C","1994","50","6","921","922","10.1107/S0108270193012533","","","0.71069","MoKα","","","0.0361","","","0.0577","","","","","0.9702","0.9702","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009800","18.672","0.001","18.672","0.001","40.104","0.007","90","","90","","90","","13982","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","hexacarbonyl-1κ^4^C,2κ^2^C-η^5^-cyclopentadienyl-2κC-bis-μ- diphenylphosphanido-1κ^2^P:2κ^2^P-manganesetungsten","","- C35 H25 Mn O6 P2 W -","- C35 H25 Mn O6 P2 W -","- C560 H400 Mn16 O96 P32 W16 -","16","1","NA1073","Flörke, Ulrich; Haupt, Hans-Jürgen","Hexacarbonylcyclopentadienyl-bis-μ-diphenylphosphanido-manganesetungsten, [MnW(C~12~H~10~P)~2~(C~5~H~5~)(CO)~6~]","Acta Crystallographica Section C","1994","50","6","874","876","10.1107/S0108270193013526","","","0.71073","MoKα","","0.1759","0.0684","","0.1939","0.1447","","","","1.066","1.176","1.176","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009801","9.943","0.001","8.402","0.001","10.22","0.001","90","","101.18","0.01","90","","837.59","0.16","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Structure of 5-nitro-2-furaldehyde-semicarbazone","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","NA1082","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","5-Nitro-2-furaldehyde semicarbazone","Acta Crystallographica Section C","1994","50","6","948","950","10.1107/S0108270194000119","","","0.71069","MoKα","","","0.0428","","","0.0765","","","","","0.939","0.939","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009802","9.8372","0.001","9.055","0.0005","5.3488","0.0006","90","","107.175","0.005","90","","455.2","0.07","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Na O6 Sc Si2 -","- Na O6 Sc Si2 -","- Na4 O24 Sc4 Si8 -","4","0.5","OH1046","Ohashi, H.; Osawa, T.; Sato, A.","NaScSi~2~O~6~","Acta Crystallographica Section C","1994","50","6","838","840","10.1107/S010827019300962X","","","0.71073","MoKα","","","0.018","","","0.034","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009803","31.396","0.002","5.207","0.001","4.98","0.002","90","","91.71","0.02","90","","813.8","0.4","296","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 O2 -","- C16 H34 O2 -","- C32 H68 O4 -","2","0.5","OH1052","Nakamura, N.; Yamamoto, T.","1,16-Hexadecanediol, C~16~H~34~O~2~","Acta Crystallographica Section C","1994","50","6","946","948","10.1107/S0108270193011849","","","1.5418","CuKα","","","0.049","","","0.079","","","","","1.74","1.74","","","","","has coordinates","198399","2020-10-21","18:00:00",""
"2009804","18.883","0.005","6.1671","0.0008","13.087","0.002","90","","90","","90","","1524","0.5","293","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","PA1067","Rodier, N.; Robert-Piessard, S.; Robert, J.-M.; Baut, G. Le.","4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-phényl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1994","50","6","955","957","10.1107/S0108270193010339","","","1.5418","CuKα","","","0.054","","","0.052","","","","","1.87","1.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009805","8.705","0.003","8.8","0.003","11.902","0.003","101.53","0.02","92.94","0.02","99.28","0.02","878.4","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","PA1071","Rodier, N.; Cense, J.-M.; Babingui, J.-F.; Courant, J.; Le Baut, G.","Structure du <i>N</i>-phényltroloxamide et du <i>N</i>-phényltroloxthioamide, inhibiteurs de leucotriènes","Acta Crystallographica Section C","1994","50","6","960","963","10.1107/S0108270193010352","","","0.7107","MoKα","","","0.042","","","0.049","","","","","1.59","1.59","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009806","8.304","0.002","8.836","0.002","14.248","0.003","93.21","0.02","116.01","0.02","106.54","0.02","880.6","0.4","292","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","PA1071","Rodier, N.; Cense, J.-M.; Babingui, J.-F.; Courant, J.; Le Baut, G.","Structure du <i>N</i>-phényltroloxamide et du <i>N</i>-phényltroloxthioamide, inhibiteurs de leucotriènes","Acta Crystallographica Section C","1994","50","6","960","963","10.1107/S0108270193010352","","","0.7107","MoKα","","","0.04","","","0.051","","","","","1.65","1.65","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009807","21.502","0.006","8.59","0.002","21.188","0.004","90","","90.19","0.02","90","","3913.4","1.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C176 H216 N8 O24 -","8","1","PA1073","Rodier, N.; Babingui, J.-P.; Duflos, M.; LeBaut, G.","<i>N</i>-(2,6-Diméthylphényl)-6-hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2<i>H</i>-1-benzopyran-2-carboxamide","Acta Crystallographica Section C","1994","50","6","957","960","10.1107/S0108270193012107","","","0.7107","MoKα","","","0.051","","","0.05","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009808","11.201","0.003","40.167","0.002","11.099","0.003","90","","90","","90","","4993.6","1.9","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,2'3,3'-tetra-O-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose","2,3-di-O-acetyl-6-chloro-4,6-dideoxy-α-D-glucopyranosyl 2,3-di-O-acetyl-6- chloro-4,6-dideoxy-α-D-glucopyranoside","","- C20 H28 Cl2 O11 -","- C20 H28 Cl2 O11 -","- C160 H224 Cl16 O88 -","8","2","PA1081","Lee, C. Kuan; Koh, Lip Lin; Xu, Yan; Linden, Anthony","2,2',3,3'-Tetra-<i>O</i>-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose","Acta Crystallographica Section C","1994","50","6","915","919","10.1107/S0108270193012910","","","0.71069","MoKα","","0.1167","0.0516","","0.0536","0.0479","","","","","2.125","2.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009809","31.501","0.004","9.528","0.001","17.906","0.002","90","","90","","90","","5374.3","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","4","PA1082","Tinant, Bernard; Declercq, Jean-Paul; Poupaert, Jacques H.; Yous, Said; Lesieur, Daniel","<i>N</i>-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide, a potent melatonin analog","Acta Crystallographica Section C","1994","50","6","907","910","10.1107/S0108270193012922","","","1.5418","CuKα","","0.1087","0.0571","","0.1446","0.1251","","","","0.89","1.165","1.165","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009810","6.878","0.001","6.878","0.001","4.417","0.001","90","","90","","120","","180.96","0.06","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","Lanthan Trichloride Trihydrate","","","- Cl3 H6 La O3 -","- Cl3 La O3 -","- Cl3 La O3 -","1","0.0833333","SE1038","Reuter, Gert; Frenzen, Gerlinde","Struktur der hexagonalen Modifikation von Lanthan(III) trichlorid trihydrat","Acta Crystallographica Section C","1994","50","6","844","845","10.1107/S0108270193012570","","","0.71073","MoKα","","0.0222","0.0222","","0.0677","0.0677","","","","1.352","1.352","1.352","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009811","9.83","0.002","11.098","0.002","11.746","0.002","68.37","0.03","84.9","0.03","76.24","0.03","1157","0.5","273","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 K2 O11 Ti -","- C4 K1.875 O11 Ti -","- C16 K7.5 O44 Ti4 -","4","2","SH1038","Fester, A.; Bensch, W; Trömel, M.","Dipotassium bis(oxalato)oxotitanate(IV) dihydrate","Acta Crystallographica Section C","1994","50","6","850","852","10.1107/S0108270193006493","","","0.7107","MoKα","","","0.0541","","","0.0796","","","","","2.6595","2.6595","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009812","8.942","0.002","20.445","0.002","28.448","0.004","90","","90","","90","","5200.8","1.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H23 Mo O3 P -","- C32 H23 Mo O3 P -","- C256 H184 Mo8 O24 P8 -","8","1","ST1064","Jaques, D.; Clark, J.R.; Chebi, D.E.; Fanwick, P.E.; Rothwell, I.P.","[Mo{P(Ph)~2~OC~6~H~3~(Ph)(η^6^-Ph)}(CO)~2~]","Acta Crystallographica Section C","1994","50","6","898","899","10.1107/S0108270193011746","","","0.71073","MoKα","","","0.028","","","0.036","","","","","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009813","11.785","0.004","19.408","0.002","12.476","0.006","90","","112.7","0.02","90","","2632.5","1.6","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C52 H66 Nb2 O2 Si4 -","- C52 H66 Nb2 O2 Si4 -","- C104 H132 Nb4 O4 Si8 -","2","0.5","ST1065","Torrez, E.; Profilet, R. D.; Fanwick, P. E.; Rothwell, I. P.","[Nb(CH~2~SiMe~3~)(OC~6~H~3~Ph~2~-2,6)(μ-CSiMe~3~)]~2~","Acta Crystallographica Section C","1994","50","6","902","904","10.1107/S0108270193011758","","","0.71073","MoKα","","","0.035","","","0.041","","","","","1.225","1.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009814","11.9492","0.0008","13.313","0.007","13.42","0.001","113.614","0.005","96.978","0.006","111.101","0.005","1734.5","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H102 Nb2 O8 -","- C72 H102 Nb2 O8 -","- C72 H102 Nb2 O8 -","1","0.5","ST1066","Visciglio, V. M.; Fanwick, P. E.; Rothwell, I. P.","A dinuclear niobium oxo compound [Nb(OC~6~H~3~^<i>i^</i>Pr~2~-2,6)~3~O]~2~","Acta Crystallographica Section C","1994","50","6","900","902","10.1107/S010827019301176X","","","1.54184","CuKα","","","0.035","","","0.044","","","","","1.199","1.199","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009815","15.318","0.008","11.906","0.002","19.163","0.009","90","","111.3","0.02","90","","3256","2","201","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 N2 O2 Ti -","- C32 H54 N2 O2 Ti -","- C128 H216 N8 O8 Ti4 -","4","1","ST1069","Visciglio, V. M.; Fanwick, P. E.; Rothwell, I. P.","A tetrahedral titanium(IV) amido aryloxide compound [Ti(OC~6~H~3~^<i>t^</i>Bu~2~-2,6)~2~(NMe~2~)~2~]","Acta Crystallographica Section C","1994","50","6","896","898","10.1107/S0108270193011771","","","0.71073","MoKα","","","0.056","","","0.074","","","","","2.16","2.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009816","6.2773","0.0006","8.085","0.003","5.2939","0.0004","90","","90","","90","","268.68","0.1","298","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3 Se -","- Cd O3 Se -","- Cd4 O12 Se4 -","4","0.5","AB1066","Valkonen, J.","Cadmium selenite–water (4/3) and two polymorphic forms of cadmium selenite","Acta Crystallographica Section C","1994","50","7","991","994","10.1107/S0108270193011278","","","0.71073","MoKα","","","2.2","","","2.9","","","","","1.52","1.52","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2009817","5.7084","0.0005","12.8283","0.0011","8.586","0.0008","90","","101.21","0.008","90","","616.75","0.1","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- Cd O3 Se -","- Cd O3 Se -","- Cd8 O24 Se8 -","8","2","AB1066","Valkonen, J.","Cadmium selenite‒water (4/3) and two polymorphic forms of cadmium selenite","Acta Crystallographica Section C","1994","50","7","991","994","10.1107/S0108270193011278","","","0.71073","MoKα","","","4.3","","","6.2","","","","","4.36","4.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009818","9.4746","0.0009","8.7696","0.0003","10.1455","0.0005","90","","117.371","0.005","90","","748.6","0.09","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cd4 H6 O15 Se4 -","- Cd4 O15 Se4 -","- Cd8 O30 Se8 -","2","1","AB1066","Valkonen, J.","Cadmium selenite‒water (4/3) and two polymorphic forms of cadmium selenite","Acta Crystallographica Section C","1994","50","7","991","994","10.1107/S0108270193011278","","","0.71073","MoKα","","","2.4","","","2.8","","","","","1.82","1.82","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009819","7.7617","0.0009","8.0713","0.001","10.0559","0.0011","90","","111.9","0.01","90","","584.51","0.12","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O7 Si2 Sr Zr -","- O7 Si2 Sr Zr -","- O28 Si8 Sr4 Zr4 -","4","1","AB1069","Huntelaar, M.E.; Cordfunke, E.H.P.; van Vlaanderen, P.; Ijdo, D.J.W.","SrZrSi~2~O~7~","Acta Crystallographica Section C","1994","50","7","988","991","10.1107/S0108270193008364","","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009820","12.252","0.001","8.158","0.003","15.388","0.002","90","","95.79","0.08","90","","1530.2","0.6","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","","","- C16 H10 Cl F N2 O2 S -","- C16 H10 Cl F N2 O2 S -","- C64 H40 Cl4 F4 N8 O8 S4 -","4","1","AB1096","Sehgal, V.; Singh, P.; Dandia, A.; Bohra, R.","A spiro-indole derivative, C~16~H~10~ClFN~2~O~2~S","Acta Crystallographica Section C","1994","50","7","1156","1159","10.1107/S0108270193012697","","","0.71069","MoKα","","","0.042","","","0.045","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009821","9.963","0.003","14.344","0.004","9.464","0.002","88.39","0.02","115.83","0.02","80.93","0.02","1195","0.6","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 O26 Y2 -","- C42 H24 O26 Y2 -","- C42 H24 O26 Y2 -","1","0.5","AB1097","Ma, J.-F.; Jin, Z.-S.; Ni, Z.-J.","Yttrium salicylate tetrahydrate","Acta Crystallographica Section C","1994","50","7","1010","1012","10.1107/S0108270193012879","","","0.71069","MoKα","","","0.046","","","0.054","","","","","1.236","1.236","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009822","9.405","0.001","18.715","0.006","15.437","0.003","104.52","0.03","102.29","0.03","80.72","0.02","2553.3","1.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O14.5 Tb -","- C42 H24 N6 O29 Tb2 -","- C84 H48 N12 O58 Tb4 -","2","1","AB1099","Ma, J.-F.; Jin, Z.-S.; Ni, J.-Z.","Terbium <i>p</i>-nitrobenzoate hydrate","Acta Crystallographica Section C","1994","50","7","1008","1010","10.1107/S0108270193012934","","","0.71069","MoKα","","","0.031","","","0.037","","","","","1.101","1.101","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2009823","8.561","0.003","14.107","0.004","16.582","0.005","90","","92.72","0.03","90","","2000.4","1.1","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl2 Cu N5 O S2 -","- C16 H16 Cl2 Cu N5 O S2 -","- C64 H64 Cl8 Cu4 N20 O4 S8 -","4","1","AB1101","Sillanpää, R.; Kivekäs, R.; Escriche, L.; Casabó, J.; Sánchez-Castelló, G.","[2,6-Bis(2-pyrimidinylthiomethyl)pyridine]dichlorocopper(II) methanol solvate","Acta Crystallographica Section C","1994","50","7","1062","1064","10.1107/S0108270193013629","","","0.71069","MoKα","","","0.064","","","0.056","","","","","1.31","1.31","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009824","8.179","0.003","18.217","0.002","8.712","0.001","90","","101.98","0.02","90","","1269.8","0.5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C48 H44 N12 O16 S4 -","4","1","AB1104","Simonsen, O.; Fanghanel, E.; Brummerstedt Iversen, B.; Krebs Larsen, F.","A mesoionic pyridazinium sulfonate; an unexpected reaction product","Acta Crystallographica Section C","1994","50","7","1150","1152","10.1107/S0108270193013022","","","0.71069","MoKα","","","0.052","","","0.046","","","","","5.8","5.8","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009825","11.487","0.002","12.067","0.001","18.967","0.003","90","","90","","90","","2629.1","0.7","295","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Cl2 O4 Pt2 S2 -","- C4 H14 Cl2 O4 Pt2 S2 -","- C32 H112 Cl16 O32 Pt16 S16 -","8","1","AB1105","Burgarcic, Z.; Lövqvist, K.; Oskarsson, A.","[{PtCl(dmso)}~2~(μ-OH)~2~]","Acta Crystallographica Section C","1994","50","7","1028","1031","10.1107/S0108270193011989","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.09","1.09","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009826","17.887","0.002","3.719","0.001","7.675","0.002","90","","90","","90","","510.6","0.2","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium salt of nitroacetamide","ammonium acetamide-2-nitronate","","- C2 H7 N3 O3 -","- C2 H7 N3 O3 -","- C8 H28 N12 O12 -","4","1","AB1110","Simonsen, Ole; Jørgensen, Pia Nørregaard","Ammonium salt of nitroacetamide","Acta Crystallographica Section C","1994","50","7","1148","1149","10.1107/S010827019400096X","","","0.71069","MoKα","","0.042","0.036","","0.027","0.027","","","","3.076","3.271","3.271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009827","8.927","0.004","22.457","0.007","10.209","0.003","90","","101.34","0.03","90","","2006.7","1.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monochloroindium 1,8-dihydro-5,7,12,14-tetramethyldibenzo[b,i][1,4,8,11] tetraazacyclotetradecane","","- C22 H22 Cl In N4 -","- C22 H22 Cl In N4 -","- C88 H88 Cl4 In4 N16 -","4","1","AB1129","Phillips, Paul R.; McCamley, Andrew; Alcock, Nathaniel W.; Wallbridge, Malcolm G.H.","Monochloroindium derivative of tmtaa (dibenzotetramethyltetraaza[14]annulene), [In(C~22~H~22~N~4~)Cl]","Acta Crystallographica Section C","1994","50","7","1072","1074","10.1107/S0108270194000417","","","0.71073","MoKα","","0.0727","0.0464","","0.1457","0.1121","","","","1.059","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009828","9.43","0.004","11.826","0.003","12.044","0.007","92.23","0.03","96.31","0.04","91.94","0.03","1333","1","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cd2 N4 O8 S10 -","- C42 H52 Cd2 N4 O8 S10 -","- C42 H52 Cd2 N4 O8 S10 -","1","0.5","AL1069","Sun, Z.-F.; Duan, C.-Y.; You, X.-Z.; Huang, X.-Y.","A mixed-ligand cadmium(II) complex of xanthic acid and <i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)thiourea","Acta Crystallographica Section C","1994","50","7","1012","1014","10.1107/S0108270193013411","","","0.7107","MoKα","","","0.051","","","0.063","","","","","1.94","1.94","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009829","16.98","0.005","15.16","0.004","14.3","0.01","90","","93.48","0.04","90","","3674","3","298","3","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cu N6 O2 S2 -","- C13 H22 Cu N6 O2 S5 -","- C104 H176 Cu8 N48 O16 S40 -","8","1","AS1076","Lin, J.-L.; Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chi, T.-Y.; Chung, C.-S.","(4,7-Dimethyl-4,7-diazadecanediamide)diisothiocyanatocopper(II)","Acta Crystallographica Section C","1994","50","7","1003","1005","10.1107/S0108270193013137","","","0.71073","MoKα","","","0.035","","","0.056","","","","","1.09","1.09","","","","","has coordinates","198844","2020-10-21","18:00:00",""
"2009830","8.11","0.001","11.848","0.001","13.832","0.002","90","","95.69","0.01","90","","1322.5","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo 2[N-(2-thienylmethyl)imino methyl] pyridine copper(II)","","- C11 H11 Br2 Cu N2 S -","- C11 H10 Br2 Cu N2 S -","- C44 H40 Br8 Cu4 N8 S4 -","4","1","AS1080","Atria, A.M.; Baggio, R.F.; Espinosa, N.; Garland, M.T.; Manzur, J.; Moreno, Y.; Spodine, E.","Dichloro- and dibromo[<i>N</i>-(2-pyridylmethylidene)-2-thienylmethylamine-<i>N</i>,<i>N</i>']copper(II) complexes, [CuCl~2~(C~11~H~10~N~2~S)] and [CuBr~2~(C~11~H~10~N~2~S)]","Acta Crystallographica Section C","1994","50","7","1066","1069","10.1107/S0108270193012181","","","0.71073","MoKα","","3.16","0.024","","3.58","0.034","","","","","0.57","0.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009831","8.115","0.001","8.772","0.001","10.226","0.001","79.21","0.01","75.27","0.01","67.92","0.01","648.96","0.14","293","","293","","","","","","","","","6","P -1","-P 1","2","","Dichoro 2[N-(2-thienylmethyl)imino methyl]pyridine copper(II)","","- C11 H11 Cl2 Cu N2 S -","- C15 H13 Cl2 Cu N2 S2 -","- C30 H26 Cl4 Cu2 N4 S4 -","2","1","AS1080","Atria, A.M.; Baggio, R.F.; Espinosa, N.; Garland, M.T.; Manzur, J.; Moreno, Y.; Spodine, E.","Dichloro- and dibromo[<i>N</i>-(2-pyridylmethylidene)-2-thienylmethylamine-<i>N</i>,<i>N</i>']copper(II) complexes, [CuCl~2~(C~11~H~10~N~2~S)] and [CuBr~2~(C~11~H~10~N~2~S)]","Acta Crystallographica Section C","1994","50","7","1066","1069","10.1107/S0108270193012181","","","0.71073","MoKα","","2.93","0.027","","4.53","0.044","","","","","1.02","1.02","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009832","17.462","0.001","7.5531","0.0004","7.8964","0.0005","90","","98.937","0.005","90","","1028.83","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrobiphenyl","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","AS1085","Sekine, Akiko; Ohashi, Yuji; Yoshimura, Kimihiko; Yagi, Mikio; Higuchi, Jiro","2-Nitrobiphenyl and 2,2'-dinitrobiphenyl","Acta Crystallographica Section C","1994","50","7","1101","1104","10.1107/S0108270194001009","","","1.54184","CuKα","","","0.0891","","","0.1071","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009833","13.067","0.003","8.271","0.002","10.634","0.002","90","","102.73","0.02","90","","1121","0.4","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Dinitrobiphenyl","","- C12 H8 N2 O4 -","- C12 H8 N2 O4 -","- C48 H32 N8 O16 -","4","0.5","AS1085","Sekine, Akiko; Ohashi, Yuji; Yoshimura, Kimihiko; Yagi, Mikio; Higuchi, Jiro","2-Nitrobiphenyl and 2,2'-dinitrobiphenyl","Acta Crystallographica Section C","1994","50","7","1101","1104","10.1107/S0108270194001009","","","0.71069","MoKα","","","0.046","","","0.065","","","","","2.76","2.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009834","7.827","0.001","8.351","0.001","8.951","0.001","90","","132.9","0.01","90","","428.59","0.11","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium galactarate","","","- C6 H8 Na2 O8 -","- C6 H8 Na2 O8 -","- C12 H16 Na4 O16 -","2","0.5","AS1094","Taga, Tooru; Shimada, Tatsuo; Mimura, Norio","Sodium galactarate and potassium galactarate","Acta Crystallographica Section C","1994","50","7","1076","1079","10.1107/S0108270194001010","","","1.54178","CuKα","","","0.045","","","0.053","","","","","0.63","0.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009835","5.004","0.001","7.173","0.001","13.14","0.002","90","","93.96","0.01","90","","470.52","0.14","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium galactarate","","","- C3 H4 K O4 -","- C6 H8 K2 O8 -","- C12 H16 K4 O16 -","2","0.5","AS1094","Taga, Tooru; Shimada, Tatsuo; Mimura, Norio","Sodium galactarate and potassium galactarate","Acta Crystallographica Section C","1994","50","7","1076","1079","10.1107/S0108270194001010","","","1.54178","CuKα","","","0.063","","","0.078","","","","","0.91","0.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009836","11.761","0.004","7.988","0.002","13.416","0.003","90","","95.75","0.02","90","","1254","0.6","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C9 H12 Au Cl N3 P -","- C9 H12 Au Cl N3 P -","- C36 H48 Au4 Cl4 N12 P4 -","4","1","BK1000","Fackler, J. P.; Staples, R. J.; Khan, M. N. I.; Winpenny, R. E. P.","Two crystalline polymorphs of chloro[tris(2-cyanoethyl)phosphine]gold(I), [AuCl(C~9~H~12~N~3~P)]","Acta Crystallographica Section C","1994","50","7","1020","1023","10.1107/S0108270193013472","","","0.71073","Mo","","","0.0345","","","0.0342","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009837","8.556","0.006","7.97","0.006","19.03","0.01","90","","99.82","0.06","90","","1278.7","1.5","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C9 H12 Au Cl N3 P -","- C9 H12 Au Cl N3 P -","- C36 H48 Au4 Cl4 N12 P4 -","4","1","BK1000","Fackler, J. P.; Staples, R. J.; Khan, M. N. I.; Winpenny, R. E. P.","Two crystalline polymorphs of chloro[tris(2-cyanoethyl)phosphine]gold(I), [AuCl(C~9~H~12~N~3~P)]","Acta Crystallographica Section C","1994","50","7","1020","1023","10.1107/S0108270193013472","","","0.71073","Mo","","","0.0314","","","0.0324","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009838","9.57","0.002","10.613","0.002","28.92","0.006","90","","90","","90","","2937.3","1","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl N,N-diallyl-O-tert-butyltyrosyl-α-aminoisobutryl-α- aminoisobutryate","","- C28 H43 N3 O5 -","- C28 H43 N3 O5 -","- C112 H172 N12 O20 -","4","1","BK1005","Flippen-Anderson, Judith L.; George, Clifford; Deschamps, Jeffrey","Methyl <i>N</i>,<i>N</i>-diallyl-<i>O</i>-<i>tert</i>-butyltyrosyl-α-aminoisobutyryl-α-aminoisobutyrate, C~28~H~43~N~3~O~5~","Acta Crystallographica Section C","1994","50","7","1095","1097","10.1107/S0108270193012387","","","1.54178","CuKα","","0.0738","0.054","","0.1379","0.1241","","","","1.038","1.12","1.12","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009839","7.961","0.002","18.56","0.003","6.501","0.001","90","","127.47","0.03","90","","762.4","0.4","294","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","nitrilotriacetic acid","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C24 H36 N4 O24 -","4","1","BK1008","Skrzypczak-Jankun, E.; Smith, Douglas A.; Maluszynska, H.","Nitrilotriacetic acid, C~6~H~9~NO~6~","Acta Crystallographica Section C","1994","50","7","1097","1099","10.1107/S010827019400017X","","","0.71073","MoKα","","","0.0256","","","0.033","","","","","1.88","1.88","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009840","12.96","0.001","11.311","0.002","20.129","0.005","90","","96.46","0.01","90","","2932","0.9","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H80 N4 P2 S8 Zn2 -","- C58 N4 P2 S8 Zn2 -","- C116 N8 P4 S16 Zn4 -","2","0.5","BR1040","Zeng, D.; Hampden-Smith, M.J.; Larson, E.M.","μ-[1,2-Bis(diethylphosphino)ethane]-<i>P</i>:<i>P</i>'-bis[bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)] ditoluene solvate","Acta Crystallographica Section C","1994","50","7","1000","1002","10.1107/S0108270193011448","","","0.7093","Mo","","","0.055","","","0.072","","","","","4.18","4.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009841","18.316","0.002","19.075","0.002","15.607","0.002","90","","90","","90","","5452.7","1.1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 N10 O32 Y2 -","- C32 H70 N10 O32 Y2 -","- C128 H280 N40 O128 Y8 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.047","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009842","18.259","0.001","19.181","0.001","15.738","0.001","90","","90","","90","","5511.9","0.5","292","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 La2 N10 O32 -","- C32 H76 La2 N10 O32 -","- C128 H304 La8 N40 O128 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.022","","","0.034","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009843","17.4","0.004","9.809","0.002","7.693","0.002","90","","111.97","0.02","90","","1217.7","0.5","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C10 H8 I2 N2 Pt -","- C10 H8 I2 N2 Pt -","- C40 H32 I8 N8 Pt4 -","4","0.5","BR1054","Connick, W. B.; Gray, H. B.","(Bipyridyl-<i>N</i>,<i>N</i>')diiodoplatinum(II)","Acta Crystallographica Section C","1994","50","7","1040","1042","10.1107/S0108270193012648","","","0.71073","MoKα","","","0.0316","","","0.0046","","","","","2.24","2.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009844","6.972","0.003","10.058","0.006","12.131","0.006","73.08","0.04","75.9","0.04","77.04","0.04","778.5","0.7","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 K N3 O9 V -","- C12 H7 K N3 O10 V -","- C24 H14 K2 N6 O20 V2 -","2","1","BR1055","Shaver, A.; Ng, J.B.; Hynes, R.C.; Posner, B.I.","Potassium (5-nitro-1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)oxodiperoxovanadate(V) dihydrate: an insulin-mimetic peroxovanadate","Acta Crystallographica Section C","1994","50","7","1044","1046","10.1107/S0108270193013915","","","0.7093","MoKα","","","0.056","","","0.059","","","","","1.65","1.65","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009845","12.9994","0.0008","12.9994","0.0008","5.0932","0.0003","90","","90","","120","","745.36","0.08","293","","293","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Iron Hydroxyphosphite","","- Fe11 H14 O30 P8 -","- Fe10.992 H8 O30 P8 -","- Fe10.992 H8 O30 P8 -","1","0.0833333","BR1071","Attfield, Martin P.; Morris, Russell E.; Cheetham, Anthony K.","Synthesis and structures of two isostructural phosphites, Fe~11~(HPO~3~)~8~(OH)~6~ and Mn~11~(HPO~3~)~8~(OH)~6~","Acta Crystallographica Section C","1994","50","7","981","984","10.1107/S0108270194001368","","","1.5418","CuKα","","","0.0243","","","0.0283","","","","","","","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009846","13.1957","0.0006","13.1957","0.0006","5.177","0.0003","90","","90","","120","","780.68","0.07","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Manganese Hydroxyphosphite","","- H14 Mn11 O30 P8 -","- H8 Mn10.908 O30 P8 -","- H8 Mn10.908 O30 P8 -","1","0.0833333","BR1071","Attfield, Martin P.; Morris, Russell E.; Cheetham, Anthony K.","Synthesis and structures of two isostructural phosphites, Fe~11~(HPO~3~)~8~(OH)~6~ and Mn~11~(HPO~3~)~8~(OH)~6~","Acta Crystallographica Section C","1994","50","7","981","984","10.1107/S0108270194001368","","","","","","","","","","","","","","","","","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009847","13.4972","0.0001","13.4972","0.0001","13.4972","0.0001","90","","90","","90","","2458.84","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- O12 Rb2 Si5 Zn -","- O12 Rb2 Si4.998 Zn1.002 -","- O96 Rb16 Si39.984 Zn8.016 -","8","0.0833333","BR1072","Bell, A.M.T.; Henderson, C.M.B.","Rietveld refinement of dry-synthesized Rb~2~ZnSi~5~O~12~ leucite by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","1994","50","7","984","986","10.1107/S0108270194002039","","","1.5044","synchrotron","","","0.0775","","","0.1389","","","","","1.5417","1.5417","","","","","has coordinates","198842","2020-10-21","18:00:00",""
"2009848","17.3167","0.0013","17.3167","0.0013","8.8439","0.0005","90","","90","","90","","2652","0.3","293","","","","","","","","","","","4","I 41/a","-I 4ad","","","","","- C28 H16 F12 Sn -","- C28 H16 F12 Sn -","- C112 H64 F48 Sn4 -","4","","CD1031","Smith, F.E.; Khoo, L.E.; Hynes, R.C.; Zhang, Y.Z.; Eng, G.","Tetrakis[<i>m</i>-(trifluoromethyl)phenyl]tin(IV)","Acta Crystallographica Section C","1994","50","7","1046","1049","10.1107/S0108270193011825","","","1.54056","Cu","","","0.031","","","0.042","","","","","3.27","3.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009849","12.27","0.002","14.785","0.001","11.97","0.002","103.143","0.009","118.462","0.009","77.154","0.009","1842.5","0.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Co4 N12 O -","- C30 H54 Co4 N12 O -","- C60 H108 Co8 N24 O2 -","2","1","CD1047","Ehlert, M.K.; Rettig, S.J.; Storr, A.; Thompson, R.C.; Trotter, J.","μ~4~-Oxo-hexakis(μ-3,5-dimethylpyrazolato-<i>N</i>,<i>N</i>')tetracobalt(II)","Acta Crystallographica Section C","1994","50","7","1023","1026","10.1107/S010827019301337X","","","1.54178","CuKα","","","0.034","","","0.035","","","","","1.97","1.97","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009850","9.796","0.004","22.623","0.012","13.863","0.005","90","","122.89","0.03","90","","2580","2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C120 H100 O20 P4 -","4","1","CD1055","Rochon, F.D.; Melanson, R.; Kayser, M.M.","Methyl (2-methoxycarbonylbenzoyl)triphenylphosphoranylideneacetate and its ethanolate complex","Acta Crystallographica Section C","1994","50","7","1165","1169","10.1107/S0108270193013721","","","0.71069","MoKα","","","0.053","","","0.043","","","","","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009851","9.462","0.004","15.04","0.01","16.149","0.005","90","","99.55","0.03","90","","2266.3","1.9","288","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C25 H16 N4 O9 -","- C25 H19 N4 O9 -","- C100 H76 N16 O36 -","4","1","CR1051","Shah, M.C.; Baughman, R.G.","Structure of charge-transfer complexes. 3. 2,4,5,7-Tetranitro-9-fluorenone‒2-ethylnaphthalene (1/1)","Acta Crystallographica Section C","1994","50","7","1114","1117","10.1107/S0108270193009291","","","0.71073","MoKα","","","0.065","","","0.034","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009852","5.8127","0.0004","9.3602","0.0007","9.588","0.0005","98.172","0.005","106.609","0.005","90.77","0.006","494.02","0.06","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C22 H20 O8 -","2","1","CR1076","Garcia, J.G.; Enas, J.D.; Fronczek, F.R.","Indan-2,2-dicarboxylic acid, C~11~H~10~O~4~","Acta Crystallographica Section C","1994","50","7","1141","1143","10.1107/S0108270193012065","","","0.71073","MoKα","","","0.045","","","0.044","","","","","1.453","1.453","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009853","11.024","0.001","11.526","0.002","12.77","0.002","63.48","0.01","82.3","0.01","86.33","0.01","1438.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-phenyl phosphonium) octakis (mu~3~-chloro)-hexachloro-hexamolybdate","","- C48 H40 Cl14 Mo6 P2 -","- C48 H40 Cl14 Mo6 P2 -","- C48 H40 Cl14 Mo6 P2 -","1","0.5","CR1078","White, Mark A.; Pressprich, Mark R.; Coppens, Philip","(C~24~H~20~P)~2~[Mo~6~Cl~14~]","Acta Crystallographica Section C","1994","50","7","1087","1089","10.1107/S0108270193013149","","","0.71073","MoKα","","","0.041","","","0.048","","","","","1.15","1.15","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009854","9.872","0.002","9.907","0.002","15.407","0.002","90","","101.294","0.017","90","","1477.7","0.5","193","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C10 H20 I Na O5 -","- C10 H20 I Na O5 -","- C40 H80 I4 Na4 O20 -","4","1","CR1080","Buchanan, G. W.; Gerzain, M.; Bensimon, C.","1,4,7,10,13-Pentaoxacyclopentadecane (15-crown-5) sodium iodide complex, C~10~H~20~O~5~.NaI","Acta Crystallographica Section C","1994","50","7","1016","1019","10.1107/S0108270193014027","","","0.7093","MoKα","","","0.037","","","0.052","","","","","2.29","2.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009855","8.26","0.002","8.394","0.002","12.045","0.002","94.45","0.05","105.43","0.02","96.17","0.02","795.4","0.3","176","","176","","","","","","","","","4","P -1","-P 1","2","Bisphenol A Bischloroformate (BPA BCF)","4,4'-Isopropylidenediphenyl bischloroformate","","- C17 H14 Cl2 O4 -","- C17 H14 Cl2 O4 -","- C34 H28 Cl4 O8 -","2","1","CR1085","Bryant Jr, Garold L.; King Jr, Joseph A.","4,4'-Isopropylidenediphenyl bis(chloroformate)","Acta Crystallographica Section C","1994","50","7","1106","1108","10.1107/S0108270193011084","","","1.54178","CopperKα","","0.0611","0.0588","","0.0648","0.0648","","","","","5.91","5.91","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2009856","20.4933","0.001","9.096","0.0004","22.0321","0.0009","90","","118.591","0.003","90","","3606.1","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-bis(tris(p-fluorophenyl)phosphine)tetracarbonylmolybdenum(0)","","- C40 H24 F6 Mo O4 P2 -","- C40 H24 F6 Mo O4 P2 -","- C160 H96 F24 Mo4 O16 P8 -","4","0.5","CR1098","Alyea, Elmer C.; Ferguson, George; Gallagher, John F.; Song, Shuquan","<i>cis</i>-Tetracarbonylbis[tris(<i>p</i>-fluorophenyl)phosphine]molybdenum(0)","Acta Crystallographica Section C","1994","50","7","1084","1087","10.1107/S0108270193014052","","","0.7093","MolybdenumKα","","0.032","0.024","","0.036","0.035","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009857","13.141","0.003","14.219","0.003","12.224","0.003","113.6","0.02","109.71","0.02","99.33","0.02","1849.8","1","296","","296","","","","","","","","","4","P -1","-P 1","2","","tetraethyl 1H,8H-3a,7b[1'2']-benzeno-10a,14b-ethenodibenzo- [a,e]dicyclopenta[c,g]cycloocten-2,2,9,9(3H,10H)tetracarboxylate","","- C43 H43 Cl O8 -","- C42.5 H42 Cl O8 -","- C85 H84 Cl2 O16 -","2","1","CR1101","Hua, Duy H.; Dantoing, Benoit; Robinson, Paul D.; Tran-Cong, Qui; Meyers, Cal Y.","Photoisomerization of tetraethyl 6,8,15,17-tetrahydro-7<i>H</i>,16<i>H</i>-5,18[1',2']-benzeno-9,14-ethenodibenzo[<i>a</i>,<i>h</i>]cyclotetradecene-7,7,16,16-tetracarboxylate. Structure of tetraethyl 2,3,3a,7b,9,10,10a,14b-hexahydro-1<i>H</i>,8<i>H</i>-3a,7b[1',2']-benzeno-10a,14b-ethenodibenzo[<i>a</i>,<i>e</i>]dicyclopenta[<i>c</i>,<i>g</i>]cyclooctene-2,2,9,9-tetracarboxylate as its methylene chloride solvate","Acta Crystallographica Section C","1994","50","7","1090","1093","10.1107/S0108270193014064","","","0.71069","MoKα","","","0.067","","","0.077","","","","","3.09","3.09","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009858","9.487","0.004","9.179","0.004","10.666","0.007","90","","90","","90","","928.8","0.8","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- Ca2 H2 O5 Si -","- Ca2 H2 O5 Si -","- Ca16 H16 O40 Si8 -","8","1","","Marsh, R.E.","A Revised Structure for α-Dicalcium Silicate Hydrate","Acta Crystallographica Section C","1994","50","","996","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009859","10.468","0.002","11.755","0.002","12.862","0.001","106.96","0.01","93.72","0.01","97.68","0.01","1491.2","0.4","130","","130","","","","","","","","","4","P -1","-P 1","2","","1,1,1',1',2,2,2',2'-Octabutyl-1,1',2,2'-tetrasila[2.2](9,20)α,α'- terthiophenophane","","- C56 H84 S6 Si4 -","- C56 H84 S6 Si4 -","- C56 H84 S6 Si4 -","1","0.5","DU1057","Herrema, Jan K.; Wildeman, Jurjen; van Bolhuis, Fré; Hadziioannou, Georges","Octabutyltetrasila[2.2]terthiophenophane","Acta Crystallographica Section C","1994","50","7","1112","1114","10.1107/S0108270194000612","","","0.71073","MoKα","","0.086","0.043","","","0.048","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009860","23.39","0.03","3.9832","0.0009","23.8","0.03","90","","90.46","0.01","90","","2217","4","293","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","bis(S,S'-ethanedithioamido)palladium","","- C5 H9 N4 O Pd S4 -","- C5 N4 O1.5 Pd S4 -","- C40 N32 O12 Pd8 S32 -","8","1","DU1061","Abboudi, M.; Mosset, A.","A palladium‒dithiooxamide complex","Acta Crystallographica Section C","1994","50","7","1057","1059","10.1107/S0108270193013216","","","0.71069","MoKα","","","0.0694","","","0.0684","","","","","2.78","2.78","","","","","has coordinates","191096","2020-10-21","18:00:00",""
"2009861","7.923","0.002","8.124","0.002","5.16","0.001","90.41","0.02","101.92","0.01","110.71","0.01","302.8","0.12","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- Mg5 Na2 O16 P4 -","- Mg5 Na2 O16 P4 -","- Mg5 Na2 O16 P4 -","1","0.5","DU1066","Yamakawa, J.; Yamada, T.; Kawahara, A.","Un monophosphate de magnésium et de sodium","Acta Crystallographica Section C","1994","50","7","986","988","10.1107/S0108270193012004","","","0.71069","MoKα","","","0.036","","","0.04","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009862","5.75","0.0006","9.651","0.001","11.194","0.002","91.43","0.01","104.83","0.01","92.54","0.01","599.49","0.14","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 F O2 -","- C15 H13 F O2 -","- C30 H26 F2 O4 -","2","1","HA1075","Stomberg, R.; Li, S.; Lundquist, K.","<i>threo</i>-3-Fluoro-2-hydroxy-1,3-diphenyl-1-propanone and (1<i>RS</i>,2<i>RS</i>,3<i>RS</i>)-3-fluoro-1,3-diphenyl-1,2-propanediol","Acta Crystallographica Section C","1994","50","7","1145","1148","10.1107/S0108270193012478","","","1.54178","CuKα","","","0.035","","","0.05","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009863","5.325","0.002","9.9","0.003","23.778","0.002","90","","95.47","0.01","90","","1247.8","0.6","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","HA1075","Stomberg, R.; Li, S.; Lundquist, K.","<i>threo</i>-3-Fluoro-2-hydroxy-1,3-diphenyl-1-propanone and (1<i>RS</i>,2<i>RS</i>,3<i>RS</i>)-3-fluoro-1,3-diphenyl-1,2-propanediol","Acta Crystallographica Section C","1994","50","7","1145","1148","10.1107/S0108270193012478","","","1.54178","CuKα","","","0.038","","","0.047","","","","","1.94","1.94","","","","","has coordinates","198400","2020-10-21","18:00:00",""
"2009864","22.845","0.004","8.79","0.002","27.948","0.003","90","","108.38","0.04","90","","5326","2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-Carbomethoxy-4-trifluoromethylpyrazole","","- C6.167 H5.167 Cl0.5 F3 N2 O2 -","- C6.16667 H5.16667 Cl0.416667 F3 N2 O2 -","- C148 H124 Cl10 F72 N48 O48 -","24","3","HA1076","Beagley, Brian; Farnworth, Kevin J.; Moss, Edward T.; Pritchard, Robin G.; Tajammal, Sabiha; Tipping, Anthony E.","Hydrogen-bonded trimers of methyl 4-trifluoromethylpyrazole-3-carboxylate solvated by chloroform","Acta Crystallographica Section C","1994","50","7","1130","1132","10.1107/S0108270193013289","","","0.71069","MoKα","","","0.045","","","0.049","","","","","2.09","2.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009865","5.923","0.001","15.708","0.002","8.421","0.002","90","","105.7","0.02","90","","754.2","0.3","296","","","","","","","","","","","4","P 1 21 1","","","","(R)-(+)-2-phenylpropyl p-toluenesulfonate","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","HA1081","Gallardo, Hugo; Merlo, Aloir A.; Vencato, Ivo; Mascarenhas, Yvonne P.","(<i>R</i>)-(+)-2-Phenylpropyl <i>p</i>-toluenesulfonate, C~16~H~18~O~3~S","Acta Crystallographica Section C","1994","50","7","1093","1095","10.1107/S0108270193014532","","","0.7093","MoKα","","","0.055","","","0.065","","","","","3.84","3.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009866","6.938","0.008","19.326","0.007","7.621","0.004","90","","94.96","0.06","90","","1018","1.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-saccharinacetic acid","3-oxo-1,2-benzisothiazole-2(3H)-acetic acid 1,1-dioxide","","- C9 H7 N O5 S -","- C9 H6 N O5 S -","- C36 H24 N4 O20 S4 -","4","1","HA1083","Feeder, N.; Jones, W.","Four <i>N</i>-saccharinaliphatic acids","Acta Crystallographica Section C","1994","50","7","1118","1122","10.1107/S010827019301323X","","","0.71069","MoKα","","0.0924","0.046","","0.1373","0.1269","","","","1.005","1.237","1.237","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009867","7.435","0.007","8.926","0.005","16.883","0.004","90","","102.89","0.05","90","","1092.2","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-saccharinpropanoic acid","3-oxo-1,2-benzisothiazole-2(3H)-propanoic acid 1,1 dioxide","","- C10 H9 N O5 S -","- C10 H9 N O5 S -","- C40 H36 N4 O20 S4 -","4","1","HA1083","Feeder, N.; Jones, W.","Four <i>N</i>-saccharinaliphatic acids","Acta Crystallographica Section C","1994","50","7","1118","1122","10.1107/S010827019301323X","","","0.71069","MoKα","","0.0716","0.0397","","0.1163","0.1099","","","","1.065","1.244","1.244","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009868","8.247","0.002","8.332","0.002","10.536","0.002","87.67","0.03","74.07","0.03","67.64","0.03","642.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","N-saccharinpentanoic acid","3-oxo-1,2-benzisothiazole-2(3H)-pentanoic acid 1,1 dioxide","","- C12 H13 N O5 S -","- C12 H12 N O5 S -","- C24 H24 N2 O10 S2 -","2","1","HA1083","Feeder, N.; Jones, W.","Four <i>N</i>-saccharinaliphatic acids","Acta Crystallographica Section C","1994","50","7","1118","1122","10.1107/S010827019301323X","","","0.71073","MoKα","","0.1012","0.0453","","0.1374","0.1242","","","","0.844","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009869","20.694","0.006","7.415","0.004","17.693","0.007","90","","90","","90","","2715","2","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","N-saccharinheaxnoic acid","3-oxo-1,2-benzisothiazole-2(3H)-hexanoic acid 1,1 dioxide","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C104 H120 N8 O40 S8 -","8","1","HA1083","Feeder, N.; Jones, W.","Four <i>N</i>-saccharinaliphatic acids","Acta Crystallographica Section C","1994","50","7","1118","1122","10.1107/S010827019301323X","","","0.71073","MoKα","","0.0969","0.0423","","0.1036","0.0948","","","","0.888","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009870","10.074","0.003","27.293","0.009","11.286","0.003","90","","91.47","0.03","90","","3102.1","1.6","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaosmium octadecarbonyl-chloroform solvate(1:1)","","- C19 H Cl3 O18 Os6 -","- C19 H Cl3 O18 Os6 -","- C76 H4 Cl12 O72 Os24 -","4","1","HA1094","Blake, Alexander J.; Johnson, Brian F.G.; Nairn, Jacqueline G.M.","Octadecacarbonylhexaosmium chloroform solvate","Acta Crystallographica Section C","1994","50","7","1052","1054","10.1107/S0108270194000363","","","0.71073","MoKα","","0.0459","0.0356","","0.097","0.0872","","","","1.036","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009871","10.5568","0.0013","28.186","0.004","19.64","0.003","90","","101.809","0.01","90","","5720.3","1.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C68 H59 Cu2 O2 P3 -","- C68 H59 Cu2 O2 P3 -","- C272 H236 Cu8 O8 P12 -","4","1","HH1062","Evans, W. J.; Golden, R. E.; Ziller, J. W.","Bis(μ-4-methylphenoxido-1:2κ^2^<i>O</i>)tris(triphenylphosphine)-1κ^2^<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1994","50","7","1005","1007","10.1107/S0108270193012211","","","0.71073","MoKα","","","0.076","","","0.076","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009872","6.756","0.001","4.823","0.001","18.628","0.003","90","","92.48","0.01","90","","606.41","0.18","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N2 O2 S2 -","- C8 H16 N2 O2 S2 -","- C16 H32 N4 O4 S4 -","2","0.5","HL1034","Jean, Y.C.","<i>N</i>,<i>N</i>'-Bis(2-hydroxypropyl)dithiooxamide","Acta Crystallographica Section C","1994","50","7","1163","1165","10.1107/S0108270193013393","","","0.71069","MoKα","","","0.036","","","0.022","","","","","1.58","1.58","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009873","8.811","0.001","17.768","0.002","9.426","0.001","90","","115.2","0.01","90","","1335.2","0.3","292","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","HL1047","Mackay, M. F.; Trantino, G. J.; Duggan, B. M.; Wilshire, J. F. K.","1-Acetyl-5-benzyl-2-methylthio-5<i>H</i>-imidazol-4-one","Acta Crystallographica Section C","1994","50","7","1159","1161","10.1107/S0108270193013150","","","1.5418","CuKα","","","0.037","","","0.052","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009874","10.971","0.002","15.562","0.002","16.459","0.003","90","","90","","90","","2810.1","0.8","294","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C12 H36 Br6 P4 Rh2 -","- C12 H36 Br6 P4 Rh2 -","- C48 H144 Br24 P16 Rh8 -","4","0.5","HU1014","Boyd, S.E.; Field, L.D.; Hambley, T.W.","Di-μ-bromo-tetrabromotetrakis(trimethylphosphine)dirhodium(III)","Acta Crystallographica Section C","1994","50","7","1019","1020","10.1107/S010827019201271X","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.48","1.48","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009875","12.686","0.003","7.274","0.002","3.629","0.001","90","","120.85","0.02","90","","287.5","0.14","291","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","0.5","HU1064","Katrusiak, A.; Szafrański, M.","Guanidinium nitrate","Acta Crystallographica Section C","1994","50","7","1161","1163","10.1107/S0108270193012272","","","1.54178","CuKα","","","0.0319","","","0.0366","","","","","1.32","1.32","","","","","has coordinates","198517","2020-10-21","18:00:00",""
"2009876","11.227","0.002","14.155","0.005","15.476","0.003","90","","90","","90","","2459.4","1.1","293","3","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 N2 O3 S2 V -","- C10 H8 N2 O3 S2 V -","- C80 H64 N16 O24 S16 V8 -","8","1","KA1029","Higes-Rolando, F.J.; Perez-Florindo, A.; Valenzuela-Calahorro, C.; Martin-Ramos, J.D.; Romero-Garzon, J.","Oxobis(<i>N</i>-oxopyridine-2-thiolato-<i>N</i>,<i>O</i>)vanadium(IV)","Acta Crystallographica Section C","1994","50","7","1049","1052","10.1107/S0108270194000089","","","0.71069","MoKα","","","0.054","","","0.03","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009877","16.045","0.007","11.868","0.004","9.828","0.005","90","","104.74","0.02","90","","1809.9","1.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(2-acetylamino-1,3,5-thiadiazole-2-sulfon)amide Dihydrate","","- C8 H13 N7 O8 S4 -","- C8 H13 N7 O8 S4 -","- C32 H52 N28 O32 S16 -","4","1","KA1039","Vinković, Mladen; Mutak, Stjepan; Nagl, Ante; Kamenar, Boris","Bis(5-acetylamino-1,3,4-thiadiazole-2-sulfon)amide dihydrate","Acta Crystallographica Section C","1994","50","7","1099","1101","10.1107/S010827019300770X","","","0.7107","MoKα","","","0.043","","","0.065","","","","","0.796","0.796","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2009878","8.518","0.001","6.305","0.001","11.812","0.002","90","","107.92","0.01","90","","603.6","0.16","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","LI1074","Xu, X.-X.; You, X.-Z.; Sun, Z.-F.; Wang, X.; Liu, H.-X.","2,2'-Azinodimethyldiphenol, C~14~H~12~N~2~O~2~","Acta Crystallographica Section C","1994","50","7","1169","1171","10.1107/S010827019301368X","","","1.5418","CuKα","","","0.071","","","0.073","","","","","0.67","0.67","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009879","10.308","0.002","11.315","0.002","6.056","0.001","90.17","0.02","105.68","0.02","75.55","0.02","657","0.2","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N O6 P -","- C10 H16 N O6 P -","- C20 H32 N2 O12 P2 -","2","1","LI1075","Datta, M.; Podder, A.; Dattagupta, J.K.","<i>p</i>-Hydroxyephedrinium dihydrogenphosphate","Acta Crystallographica Section C","1994","50","7","1132","1135","10.1107/S0108270193013642","","","1.54178","CuKα","","","0.074","","","0.079","","","","","0.743","0.743","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009880","14.023","0.009","23.232","0.006","18.212","0.007","90","","102.33","0.06","90","","5796","5","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H86 Mo7 N6 O31 -","- C24 H86 Mo7 N6 O31 -","- C96 H344 Mo28 N24 O124 -","4","1","MU1070","Román, P.; José, A. S.; Luque, A.; Gutiérrez-Zorrilla, J. M.","Hexakis(<i>tert</i>-butylammonium) heptamolybdate(VI)–water (1/7)","Acta Crystallographica Section C","1994","50","7","1031","1034","10.1107/S0108270193012831","","","0.71069","MoKα","","","0.037","","","0.04","","","","","0.33","0.33","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009881","10.23","0.003","9.858","0.003","9.761","0.003","108.39","0.04","72.85","0.02","83","0.03","867.1","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Geneserine hydrochloride","{(-)2-,3,4,4a,9,9a-hexahydro-2,4aα,9α-trimethyl-1,2-oxazino [6,5-b]indol-6-ol methylcarbamate} hydrochloride","","- C15 H23 Cl N3 O3.5 -","- C15 H23 Cl N3 O3.5 -","- C30 H46 Cl2 N6 O7 -","2","2","MU1071","Bacchi, Alessia; Pelizzi, Giancarlo; Redenti, Enrico; Delcanale, Maurizio; Amari, Gabriele; Ventura, Paolo","Geneserine hydrochloride","Acta Crystallographica Section C","1994","50","7","1126","1130","10.1107/S0108270193011576","","","1.54178","CuKα","","0.0722","0.0457","","0.1237","0.114","","","","0.914","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009882","29.172","0.002","7.7545","0.0009","18.499","0.001","90","","104.676","0.006","90","","4048.2","0.6","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C20 H24 Cu N2 O7 -","- C20 H24 Cu N2 O7 -","- C160 H192 Cu8 N16 O56 -","8","1","MU1083","Labisbal, E.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castellano, E. E.; Zukerman-Schpector, J.","<i>N</i>,<i>N</i>'-Ethylenebis(4,6-dimethoxysalicylideneiminato)copper(II) monohydrate","Acta Crystallographica Section C","1994","50","7","1043","1044","10.1107/S0108270193013757","","","1.54056","CuKα","","","0.047","","","0.049","","","","","1.79","1.79","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009883","12.281","0.002","7.728","0.002","11.159","0.002","90","","102.71","0.03","90","","1033.1","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C12 H14 Cr -","- C12 H14 Cr -","- C48 H56 Cr4 -","4","1","NA1054","Benetollo, F.; Camporese, A.; Rossetto, G.","Bis(η^5^-methylcyclopentadienyl)chromium, [Cr(C~6~H~7~)~2~]","Acta Crystallographica Section C","1994","50","7","1002","1003","10.1107/S0108270193013009","","","0.71069","MoKα","","","0.037","","","0.044","","","","","1.009","1.009","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009884","8.128","0.001","11.818","0.002","11.719","0.002","90","","91.89","0.01","90","","1125.1","0.3","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 N4 O18 S2 Zn2 -","- C8 H26 N4 O18 S2 Zn2 -","- C16 H52 N8 O36 S4 Zn4 -","2","0.5","NA1055","De Munno, G.; Julve, M.","2,2'-Bipyrimidine (bpm)-bridged dinuclear complexes. 3. Structure of μ-(2,2'-bipyrimidine-<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis(tetraaquazinc) disulfate dihydrate, [Zn~2~(μ-bpm)(H~2~O)~8~](SO~4~)~2~.2H~2~O","Acta Crystallographica Section C","1994","50","7","1034","1037","10.1107/S0108270193012363","","","0.71073","MoKα","","","0.028","","","0.0296","","","","","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009885","6.866","0.001","13.492","0.001","26.334","0.002","90","","90","","90","","2439.5","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C112 H112 N8 O20 -","4","1","NA1057","Vitagliano, L.; Zagart, A.; Capasso, S.; Salvadori, S.; Baldoni, G.","<i>N</i>-(<i>N</i>-Benzyloxycarbonyl-<small>L</small>-1,2,3,4-tetrahydroisoquinol-3-ylcarbonyl)-<small>L</small>-phenylalanine methyl ester, <i>Z</i>-<small>L</small>-Tic-<small>L</small>-Phe-OMe","Acta Crystallographica Section C","1994","50","7","1135","1138","10.1107/S0108270193011862","","","1.5418","CuKα","","","0.053","","","0.061","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009886","23.446","0.003","9.39","0.002","11.13","0.002","90","","90","","90","","2450.4","0.8","173","1","173","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","2,2',3,3'-tetra-O-acetyl-4,4',6,6'-tetradeoxy-α,α-xylotrehalose (I), 2,2',3,3'-tetra-O-acetyl-6-chloro-4,4',6,6'-tetradeoxy-α,α-xylotrehalose, (II)","2,3-di-O-acetyl-4,6-dideoxy-α-D-xylohexopyranosyl 2,3-di-O-acetyl-4,6- dideoxy-α-D-xylohexopyranoside (I), 2,3-di-O-acetyl-6-chloro-4,6-dideoxy-α-D- xylohexopyranosyl 2,3-di-O-acetyl-4,6-dideoxy-α-D-xylohexopyranoside (II)","","- C20 H29.841 Cl0.159 O11 -","- C20 H29.841 Cl0.159 O11 -","- C80 H119.364 Cl0.636 O44 -","4","1","NA1072","Linden, Anthony; Lee, C.-Kuan","2,2',3,3'-Tetra-<i>O</i>-acetyl-4,4',6,6'-tetradeoxy-α,α-<i>xylo</i>-trehalose","Acta Crystallographica Section C","1994","50","7","1108","1112","10.1107/S010827019400082X","","","0.71069","MoKα","","0.0929","0.0506","","0.0505","0.0477","","","","","2.688","2.688","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2009887","12.769","0.004","15.826","0.01","9.431","0.01","90","","90","","90","","1906","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","dichloro(cyclohexylphosphine-P)-η^6^-p-cymeneruthenium(II)","","- C16 H27 Cl2 P Ru -","- C16 H27 Cl2 P Ru -","- C64 H108 Cl8 P4 Ru4 -","4","1","NA1074","Van der Maelen Uría, Juan F.; García-Granda, Santiago; Cabeza, Javier A.; del Río, I.","[RuCl~2~(PH~2~Cy)(η^6^-<i>p</i>-cymene)]","Acta Crystallographica Section C","1994","50","7","1064","1065","10.1107/S0108270194001083","","","0.71073","MoKα","","0.0369","0.0227","","0.0634","0.0609","","","","1.023","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009888","26.43","0.006","26.43","0.006","26.43","0.006","90","","90","","90","","18463","7","295","","298","","","","","","","","","8","P a -3","-P 2ac 2ab 3","","","tris(μ-chloro)-bis[1,1,1-tris(diphenylphosphinomethyl)ethane- P, P', P'']dirhodium(III) trifluoromethanesulfonate","","- C85 H78 Cl3 F9 O9 P6 Rh2 S3 -","- C85 H78 Cl3 F9 O9 P6 Rh2 S3 -","- C680 H624 Cl24 F72 O72 P48 Rh16 S24 -","8","0.333333","NA1075","Bachechi, Fiorella","A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~]","Acta Crystallographica Section C","1994","50","7","1069","1072","10.1107/S0108270194001095","","","0.71073","MoKα","","","0.068","","","0.0759","","","","","4.12","4.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009889","5.717","0.001","20.077","0.005","4.806","0.001","90","","90","","90","","551.6","0.2","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 F2 O -","- C6 H4 F2 O -","- C24 H16 F8 O4 -","4","1","OH1048","Shibakami, M.; Sekiya, A.","3,5-Difluorophenol","Acta Crystallographica Section C","1994","50","7","1152","1154","10.1107/S0108270193012752","","","1.5418","CuKα","","","0.04","","","0.055","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009890","7.537","0.002","10.992","0.001","12.67","0.002","90","","100.59","0.01","90","","1031.8","0.3","300","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C7 H5 As3 Cr O2 -","- C7 H5 As3 Cr O2 -","- C28 H20 As12 Cr4 O8 -","4","1","OH1050","Chen, W.; Goh, L. Y.; Wong, R. C. S.","A <i>cyclo</i>-triarsenic complex of chromium","Acta Crystallographica Section C","1994","50","7","998","1000","10.1107/S0108270193010650","","","0.71073","MoKα","","","0.038","","","0.043","","","","","0.658","0.658","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009891","12.25","0.004","20.42","0.008","9.633","0.004","90","","108.24","0.03","90","","2288.6","1.6","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cl2 O4 -","- C28 H16 Cl2 O4 -","- C112 H64 Cl8 O16 -","4","1","OH1055","Mori, Y.; Kubota, I.; Watanabe, Y.; Maeda, K.","A chromotropic bi(benzofuranonyl)","Acta Crystallographica Section C","1994","50","7","1143","1145","10.1107/S0108270193012089","","","0.71068","MoKα","","","0.049","","","0.055","","","","","1.835","1.835","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009892","17.699","0.001","10.201","0.002","15.4469","0.0009","90","","106.618","0.004","90","","2672.4","0.6","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C8 H16 Cu2 N2 O2 S2 -","- C8 H16 Cu2 N2 O2 S2 -","- C64 H128 Cu16 N16 O16 S16 -","8","1","OH1057","Kuroda-Sowa, T.; Munakata, M.; Miyazaki, M.; Maekawa, M.","Tetrakis[{μ~3~-ethoxy(<i>N</i>-methylimino)methanethiolato}copper(I)]","Acta Crystallographica Section C","1994","50","7","1026","1028","10.1107/S0108270193013083","","","0.71069","MoKα","","","0.027","","","0.02","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009893","8.621","0.002","8.799","0.002","5.115","0.001","100.44","0.02","105.79","0.02","96.94","0.02","361.2","0.15","297","","","","","","","","","","","5","P -1","-P 1","2","","sodium zinc monophosphate","","- H Na O8 P2 Zn2 -","- H Na O8 P2 Zn2 -","- H2 Na2 O16 P4 Zn4 -","2","1","OH1061","J. Yamakawa; I. Watanabe; A. Kawahara","Refinement of the structure of synthetic sodium zinc monophosphate","Acta Crystallographica Section C","1994","50","7","979","980","10.1107/S0108270193014337","","","0.71069","MoKα","","","0.043","","","0.048","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009894","21.122","0.003","20.705","0.006","11.61","0.007","90","","90","","90","","5077","3","294","","","","","","","","","","","6","P c c n","-P 2ab 2ac","","","","","- C54 H54 Fe N4 O10 P2 -","- C54 H54 Fe N4 O10 P2 -","- C216 H216 Fe4 N16 O40 P8 -","4","0.5","PA1063","Toupet, L.; Legrand, N.; Bondon, A.; Simonneaux, G.","[<i>meso</i>-5,10,15,20-Tetrakis(4-methoxyphenyl)porphinato]bis(trimethyl phosphito)iron(II)","Acta Crystallographica Section C","1994","50","7","1014","1016","10.1107/S0108270193011102","","","0.70926","MoKα","","","0.055","","","0.052","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009895","15.655","0.002","15.655","0.002","23.554","0.003","90","","90","","90","","5772.6","1.3","294","","","","","","","","","","","6","I 41/a","-I 4ad","","","","","- Cl5 H18 Ir N4 O3 Pt -","- Cl5 H18 Ir N4 O3 Pt -","- Cl80 H288 Ir16 N64 O48 Pt16 -","16","","PA1068","Garner, E.; Bele, M.","Tetraammineplatinum(II) aquapentachloroiridate(III) dihydrate, [Pt(NH~3~)~4~][IrCl~5~(H~2~O)].2H~2~O","Acta Crystallographica Section C","1994","50","7","994","996","10.1107/S0108270193012090","","","0.71069","MoKα","","","0.0404","","","0.0441","","","","","0.808","0.808","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2009896","24.066","0.011","5.299","0.006","23.401","0.019","90","","98.73","0.06","90","","2950","4","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-nitropyridine N-oxide)silver nitrate","","- C10 H8 Ag N5 O9 -","- C10 H8 Ag N5 O9 -","- C80 H64 Ag8 N40 O72 -","8","1","PA1074","Bagieu-Beucher, Muriel; Le Fur, Yvette; Levy, Jean-Pierre; Pécaut, Jacques","Two 4-nitropyridine <i>N</i>-oxide adducts: (C~5~H~4~N~2~O~3~)~2~.AgNO~3~ and (C~5~H~4~N~2~O~3~)~2~.Co(NO~3~)~2~.4H~2~O","Acta Crystallographica Section C","1994","50","7","1079","1084","10.1107/S0108270193012119","","","0.5608","AgKα","","0.032","0.032","","0.033","0.033","","","","1.53","1.53","1.53","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009897","11.095","0.003","11.384","0.002","8.408","0.002","90","","102.91","0.02","90","","1035.1","0.4","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(4-nitropyridine N-oxide)cobalt nitrate tetrahydrate","","- C10 H16 Co N6 O16 -","- C10 H16 Co N6 O16 -","- C20 H32 Co2 N12 O32 -","2","0.5","PA1074","Bagieu-Beucher, Muriel; Le Fur, Yvette; Levy, Jean-Pierre; Pécaut, Jacques","Two 4-nitropyridine <i>N</i>-oxide adducts: (C~5~H~4~N~2~O~3~)~2~.AgNO~3~ and (C~5~H~4~N~2~O~3~)~2~.Co(NO~3~)~2~.4H~2~O","Acta Crystallographica Section C","1994","50","7","1079","1084","10.1107/S0108270193012119","","","0.5608","AgKα","","0.024","0.024","","0.027","0.027","","","","0.63","0.63","0.63","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009898","35.636","0.007","8.127","0.003","14.597","0.004","90","","90","","90","","4227","2","294","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","","","- C15 H18 Cl3 N3 O8 -","- C15 H18 Cl3 N3 O8 -","- C120 H144 Cl24 N24 O64 -","8","1","PA1076","Rodier, N.; Bellaissaoui, A.; Morpain, C.; Laude, B.","3,4-Diméthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~15~H~18~Cl~3~N~3~O~8~","Acta Crystallographica Section C","1994","50","7","1171","1173","10.1107/S0108270193012120","","","0.7107","MoKᾱ","","","0.048","","","0.049","","","","","1.457","1.457","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009899","10.229","0.001","27.275","0.006","18.897","0.002","90","","100.4","0.01","90","","5185.6","1.4","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C248 H240 N16 O32 -","8","2","PA1077","Rodier, N.; M'Saddek, M.; Rammah, M.; Ciamala, K.","Bis[2-(3-morpholinobenzofuranyl)]phénylméthane, C~31~H~30~N~2~O~4~","Acta Crystallographica Section C","1994","50","7","1173","1176","10.1107/S0108270193012132","","","1.5418","CuKα","","","0.051","","","0.061","","","","","1.593","1.593","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009900","6.241","0.006","7.319","0.007","10.505","0.015","84.65","0.03","94.83","0.02","100.8","0.03","468.2","0.9","293","","293","","","","","","","","","4","P 1","P 1","1","","(1R,2R,5(1')S,9R,2'R,4'R,5'S)-2,10,10- triméthyl-3-oxa-6-azatricyclo[7.1.1.0^2,7^]undeca-5-spiro[1'(2',4',5'- triméthylcyclohexane)]-6-ène-4-one","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C20 H31 N O2 -","1","1","PA1094","Chiaroni, A.; Riche, C.; Lavergne, J.-P.; Sadoune, M.; Viallefont, P.; Vidal, Y.","[1<i>R</i>,2<i>R</i>,5(1')<i>S</i>,9<i>R</i>,2'<i>R</i>,4'<i>R</i>,5'<i>S</i>]-2,10,10-Triméthyl-3-oxa-6-azatricyclo[7,1,1,0^2,7^]undeca-5-spiro[1'(2',4',5'-triméthylcyclohexane)]-6-ène-4-one","Acta Crystallographica Section C","1994","50","7","1122","1124","10.1107/S0108270193013903","","","1.5418","CuKα","","","0.043","","","0.049","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009901","13.258","0.003","13.258","0.003","14.68","0.007","90","0.03","90","0.03","120","0.02","2234.7","1.4","293","","293","","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Hexakis(difluorphenylphosphan)wolfram(0) hydrat","","- C36 H32 F12 O P6 W -","- C36 H30 F12 O0.999 P6 W -","- C72 H60 F24 O1.998 P12 W2 -","2","0.166667","SE1039","Crump, W.; Kruck, Th.; Siegers, B.; Tebbe, K.-F.","Hexakis(difluorphenylphosphan)wolfram(0) hydrat, W(PF~2~Ph)~6~.H~2~O","Acta Crystallographica Section C","1994","50","7","1074","1076","10.1107/S0108270193012843","","","0.71069","MoKα","","0.046","0.039","","0.059","0.059","","","","4.34","4.52","4.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009902","6.448","0.003","6.394","0.001","21.392","0.004","90","","95.37","0.03","90","","878.1","0.5","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","sodium cyclododecylsulfate trihydrate","","- C12 H29 Na O7 S -","- C12 H27 Na O7 S -","- C24 H54 Na2 O14 S2 -","2","1","SE1041","Rudert, Rainer; Vollhardt, Dieter; Czichocki, Gunther","Sodium cyclododecyl sulfate trihydrate, Na^+^.C~12~H~23~O~4~S^{‒^}.3H~2~O","Acta Crystallographica Section C","1994","50","7","1054","1057","10.1107/S0108270193013897","","","1.54178","CuKα","","","0.059","","","0.038","","","","","3.064","3.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009903","7.657","0.001","11.535","0.002","6.46","0.001","95.08","0.01","101.03","0.02","98.18","0.01","550.38","0.15","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C26 H28 O4 -","1","0.5","SE1044","Irngartinger, H.; Lichenthäler, J.","Three tetramethylketals of 2,5-distyryl-[1,4]benzoquinones","Acta Crystallographica Section C","1994","50","7","1154","1156","10.1107/S0108270193011503","","","0.7107","MoKα","","","0.039","","","0.05","","","","","2.11","2.11","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009904","12.732","0.002","10.318","0.001","9.014","0.001","90","","94.52","0.04","90","","1180.5","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C26 H26 Cl2 O4 -","- C26 H26 Cl2 O4 -","- C52 H52 Cl4 O8 -","2","0.5","SE1044","Irngartinger, H.; Lichenthäler, J.","Three tetramethylketals of 2,5-distyryl-[1,4]benzoquinones","Acta Crystallographica Section C","1994","50","7","1154","1156","10.1107/S0108270193011503","","","0.7107","MoKα","","","0.045","","","0.056","","","","","2.32","2.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009905","11.529","0.002","11.867","0.002","9.592","0.002","90","","112.18","0.02","90","","1215.2","0.4","293","","","","","","","","","","","3","P 1 21/c 1","","","","","","- C28 H32 O4 -","- C28 H4 O4 -","- C56 H8 O8 -","2","0.5","SE1044","Irngartinger, H.; Lichenthäler, J.","Three tetramethylketals of 2,5-distyryl-[1,4]benzoquinones","Acta Crystallographica Section C","1994","50","7","1154","1156","10.1107/S0108270193011503","","","0.7107","MoKα","","","0.051","","","0.059","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009906","16.487","0.003","12.909","0.003","6.783","0.001","103.24","0.02","99.6","0.02","102.95","0.02","1332.8","0.5","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N9 O -","- C34 H30 N9 O -","- C68 H60 N18 O2 -","2","1","SH1060","Visser, R.J.J.; Boer, J.L. de; Vos, A.","1:2 complexes of (thio)morpholinium derivatives and the electron acceptor 7,7,8,8-tetracyano-<i>p</i>-quinodimethane. VII. Triclinic form of <i>N</i>,<i>N</i>-dimethylmorpholinium di-7,7,8,8-tetracyano-<i>p</i>-quinodimethanide, DMM(TCNQ)~2~ (II), at 294 K","Acta Crystallographica Section C","1994","50","7","1139","1141","10.1107/S0108270193011199","","","0.71069","MoKα","","","0.099","","","0.075","","","","","1.62","1.62","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009907","9.873","0.001","6.129","0.001","11.594","0.001","90","","108.23","0.01","90","","666.36","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","SH1078","Bolte, M.; Egert, E.","A 2,5-diketomorpholine","Acta Crystallographica Section C","1994","50","7","1117","1118","10.1107/S0108270193012867","","","0.7107","MoKα","","","0.032","","","0.045","","","","","1.79","1.79","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009908","8.912","0.004","11.139","0.006","11.507","0.005","63.21","0.04","84.78","0.04","88.1","0.04","1015.4","0.9","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 N4 O6 P S2 -","- C14 H21 N4 O6 P S2 -","- C28 H42 N8 O12 P2 S4 -","2","1","SH1089","Udo Engelhardt; Brigitte Stromburg; André Simon","Ein gesättigter anorganischer Phosphor(V) Hydrazin-Schwefel(IV)-Sechsring mit Twist-Boot-Konformation","Acta Crystallographica Section C","1994","50","7","1104","1106","10.1107/S0108270193013770","","","0.71069","MoKα","","","0.059","","","0.042","","","","","1.53","1.53","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009909","7.745","0.002","16.411","0.003","16.12","0.003","90","","93.56","0.03","90","","2044.9","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","triphenyltinthiophenol","","- C24 H20 S Sn -","- C24 H20 S Sn -","- C96 H80 S4 Sn4 -","4","1","SH1090","Speziali, Nivaldo L.; Guimarães, Beatriz G.; Silva, Rosalice M.; Duarte, Paulo H.; Aguiar, Silvestre R.","(Benzenethiolato-κ<i>S</i>)triphenyltin(IV), [Sn(C~6~H~5~S)(C~6~H~5~)~3~] (I), and bis(benzenethiolato-κ<i>S</i>)diphenyltin(IV), [Sn(C~6~H~5~S)~2~(C~6~H~5~)~2~] (II)","Acta Crystallographica Section C","1994","50","7","1059","1062","10.1107/S0108270193014088","","","0.71069","MoKα","","","0.031","","","0.05","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009910","9.449","0.002","10.31","0.002","12.43","0.002","95.39","0.001","103.19","0.001","107.44","0.001","1107.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","diphenyltindithiophenol","","- C24 H20 S2 Sn -","- C24 H20 S2 Sn -","- C48 H40 S4 Sn2 -","2","1","SH1090","Speziali, Nivaldo L.; Guimarães, Beatriz G.; Silva, Rosalice M.; Duarte, Paulo H.; Aguiar, Silvestre R.","(Benzenethiolato-κ<i>S</i>)triphenyltin(IV), [Sn(C~6~H~5~S)(C~6~H~5~)~3~] (I), and bis(benzenethiolato-κ<i>S</i>)diphenyltin(IV), [Sn(C~6~H~5~S)~2~(C~6~H~5~)~2~] (II)","Acta Crystallographica Section C","1994","50","7","1059","1062","10.1107/S0108270193014088","","","0.71069","MoKα","","","0.03","","","0.043","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009911","8.893","0.001","10.681","0.002","11.941","0.002","90","","94.33","0.01","90","","1131","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N4 O5 -","- C9 H10 N4 O5 -","- C36 H40 N16 O20 -","4","1","VS1011","Gλówka, M. L.; Sobańska, A. W.","1-(2,4-Dimethoxy-1,3,5-triazin-6-yloxy)pyrrolidine-2,5-dione, C~9~H~10~N~4~O~5~","Acta Crystallographica Section C","1994","50","7","1124","1126","10.1107/S0108270193013666","","","1.54178","CuKα","","","0.0438","","","0.0562","","","","","1.039","1.039","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009912","12.536","0.001","12.867","0.002","17.759","0.002","90","","93.01","0.01","90","","2860.6","0.6","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H20 Cl2 Pd Si -","- C17.5 H20 Cl4 Pd2 Si -","- C140 H160 Cl32 Pd16 Si8 -","8","2","AB1098","Begum, N. S.; Bandodakar, B. S.; Nagendrappa, G.","Dichloro(1-trimethylsilyl-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1994","50","8","1227","1231","10.1107/S0108270194000454","","","0.71079","MoKα","","","0.037","","","0.044","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009913","10.779","0.002","12.241","0.002","7.54","0.002","98.5","0.02","103.95","0.02","74.24","0.01","925.6","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N3 O4 S2 -","- C19 H15 N3 O4 S2 -","- C38 H30 N6 O8 S4 -","2","1","AB1100","Sillanpää, R.; Kivekäs, R.; Escriche, L.; Sánchez-Castelló, G.; Teixidor, F.","2,6-Bis(<i>p</i>-nitrophenylthiomethyl)pyridine","Acta Crystallographica Section C","1994","50","8","1284","1286","10.1107/S0108270193013617","","","0.71069","MoKα","","","0.051","","","0.046","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009914","7.437","0.001","9.336","0.001","12.402","0.002","106.32","0.01","106.07","0.01","95.21","0.01","780.7","0.2","295","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","AB1106","Tomita, K.; Vilegas, W.","An isocoumarin derivative from <i>Paepalanthus bromelioides</i>","Acta Crystallographica Section C","1994","50","8","1269","1271","10.1107/S0108270193013861","","","0.71069","MoKα","","","0.044","","","0.031","","","","","3.21","3.21","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009915","30.198","0.008","15.642","0.005","18.147","0.005","90","","122.6","0.03","90","","7221","4","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C31 H36 Hg N2 O8 P S3 -","- C33 H31 Hg N2.5 O9.5 P S3 -","- C264 H248 Hg8 N20 O76 P8 S24 -","8","1","AB1115","Kivekäs, R.; Sillanpää, R.; Escriche, L.; Almajano, M.-P.; Texidor, F.; Casabó, J.","(Nitrato-κ<i>O</i>)(triphenylphosphine-κ<i>P</i>){3,6,9-trithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene-κ^3^<i>S</i>^3,6,9^}mercury(II) nitrate hydrate hemiethanol solvate","Acta Crystallographica Section C","1994","50","8","1249","1252","10.1107/S0108270194000466","","","0.71069","MoKα","","","0.057","","","0.052","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009916","17.051","0.003","10.996","0.002","9.329","0.002","115.39","0.03","100.4","0.03","78.57","0.02","1539.8","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 O14 Rh Ru5 -","- C25 H15 O14 Rh Ru5 -","- C50 H30 O28 Rh2 Ru10 -","2","1","AB1117","Adatia, T.; McPartlin, M.; Morris, J.; Curtis, H.; Lewis, J.","A redetermination of the X-ray structure of the hexanuclear mixed-metal cluster [Ru~5~Rh(μ~6~-C)(CO)~13~(μ-CO)(η^5^-C~10~H~15~)]","Acta Crystallographica Section C","1994","50","8","1233","1235","10.1107/S0108270194000855","","","0.71069","MoKα","","","0.0328","","","0.0374","","","","","1.53","1.53","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009917","6.618","0.003","7.436","0.001","19.242","0.008","90","","92.36","0.02","90","","946.1","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","meso-2,2'-[1,6-Bis(methylamino)-3,4-dithia-1,6-hexanediyl]diphenol","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C36 H48 N4 O4 S4 -","2","1","AB1127","Bolte, Michael","Refinement of a twinned structure with <i>SHELXL</i>93: <i>meso</i>-2,2'-[1,6-bis(methylamino)-3,4-dithia-1,6-hexanediyl]diphenol","Acta Crystallographica Section C","1994","50","8","1368","1370","10.1107/S0108270193014507","","","1.5418","CuKα","","0.0852","0.0777","","0.4129","0.2039","","","","1.133","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009918","10.273","0.002","5.387","0.001","15.843","0.003","90","","97.035","0.005","90","","870.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxy-3-methyl-acetophenone oxime","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","AB1131","Maurin, Jan K.","4-Hydroxyacetophenone oxime (I) and 4-hydroxy-3-methylacetophenone oxime (II)","Acta Crystallographica Section C","1994","50","8","1354","1357","10.1107/S0108270194001940","","","0.71073","MoKα","","0.0896","0.0732","","0.2229","0.2033","","","","1.091","1.161","1.161","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009919","6.664","0.001","16.83","0.004","7.153","0.002","90","","107.898","0.006","90","","763.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxyacetophenone oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","AB1131","Maurin, Jan K.","4-Hydroxyacetophenone oxime (I) and 4-hydroxy-3-methylacetophenone oxime (II)","Acta Crystallographica Section C","1994","50","8","1354","1357","10.1107/S0108270194001940","","","0.71073","MoKα","","0.0485","0.0374","","0.0977","0.0902","","","","1.087","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009920","11.775","0.001","7.763","0.001","16.283","0.001","90","","93.79","0.01","90","","1485.2","0.2","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,5,6-Penta-O-acetyl-D-galactonic Acid 1'-Phenyl-2'-ethoxycarbonylvinyl Ester","","- C27 H32 O14 -","- C27 H32 O14 -","- C54 H64 O28 -","2","1","AB1135","Kopf, Jürgen; Abeln, Dirk; Köll, Peter; Meisel, Roland; Peseke, Klaus","2,3,4,5,6-Penta-<i>O</i>-acetyl-<small>D</small>-galactonic acid 1'-phenyl-2'-ethoxycarbonylvinyl ester","Acta Crystallographica Section C","1994","50","8","1335","1337","10.1107/S0108270194001071","","","1.54178","CuKα","","0.043","0.0412","","0.115","0.1124","","","","1.038","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009921","9.727","0.003","10.366","0.004","10.727","0.003","106.36","0.03","96.08","0.03","95.87","0.03","1022","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","m-carboranedicarboxylic acid dianilide","1,7-dicarba-closo-dodecaborane(12)-1,7-dicarboxyanilide","","- C16 H22 B10 N2 O2 -","- C16 H22 B10 N2 O2 -","- C32 H44 B20 N4 O4 -","2","1","AB1141","Lindeman, Sergey V.; Kats, Georgii A.; Komarova, Lyudmila G.","An <i>m</i>-carboranedicarboxylic acid dianilide","Acta Crystallographica Section C","1994","50","8","1299","1301","10.1107/S0108270194000673","","","0.71069","MoKα","","0.0727","0.0505","","0.1405","0.1296","","","","1.007","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009922","9.274","0.002","14.753","0.002","13.29","0.002","90","","108.4","0.02","90","","1725.4","0.5","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2'-hydroxypropiophenone oxime","1-(2'-hydroxyphenyl)-1-iminohydroxypropane","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","AB1142","Maurin, Jan K.","2'-Hydroxypropiophenone oxime","Acta Crystallographica Section C","1994","50","8","1357","1359","10.1107/S0108270194001113","","","0.71073","MoKα","","0.0981","0.0441","","0.1095","0.0984","","","","0.91","1.158","1.158","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009923","9.027","0.004","10.561","0.004","11.768","0.004","90","","98.81","0.03","90","","1108.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-2-(1-Hydroxy-1-methyl-2-oxopropyl)-2-(methyl-thio)thiolane 1-oxide","","- C9 H16 O3 S2 -","- C9 H16 O3 S2 -","- C36 H64 O12 S8 -","4","1","AB1150","Brunck, Jörg-Stephan; Voss, Jürgen; Viebrock, Heiko; Olbrich, Falk","Configuration of (<i>E</i>)-2-(1-hydroxy-1-methyl-2-oxopropyl)-2-(methylthio)thiolane <i>S</i>-oxide","Acta Crystallographica Section C","1994","50","8","1370","1372","10.1107/S0108270194002799","","","0.71073","MoKα","","0.0642","0.0516","","0.1617","0.1418","","","","1.286","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009924","8.8763","0.0019","12.343","0.002","15.033","0.003","68.708","0.014","85.38","0.03","77.5","0.03","1498.2","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","O-Tritylhydroxylamine","O-Tritylhydroxylamine","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","2","AB1184","Glidewell, Christopher; Ferguson, George","Molecules isoelectronic with 2,2,2-triphenylethanol: multiple hydrogen-bonding modes in the structures of <i>O</i>-tritylhydroxylamine, Ph~3~CONH~2~, and triphenylmethanesulfenamide, Ph~3~CSNH~2~","Acta Crystallographica Section C","1994","50","8","1362","1366","10.1107/S0108270194004439","","","0.71067","MoKα","","0.114","0.038","","0.064","0.051","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009925","8.9918","0.0009","8.9999","0.0011","10.878","0.0012","85.225","0.009","74.551","0.008","63.082","0.009","755.85","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","Triphenylmethanesulfenamide","Triphenylmethanesulfenamide","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","AB1184","Glidewell, Christopher; Ferguson, George","Molecules isoelectronic with 2,2,2-triphenylethanol: multiple hydrogen-bonding modes in the structures of <i>O</i>-tritylhydroxylamine, Ph~3~CONH~2~, and triphenylmethanesulfenamide, Ph~3~CSNH~2~","Acta Crystallographica Section C","1994","50","8","1362","1366","10.1107/S0108270194004439","","","0.71067","MoKα","","0.051","0.037","","0.06","0.057","","","","","1.58","1.58","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009926","8.283","0.003","15.706","0.003","16.99","0.003","90","","90","","90","","2210.3","1","295","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridinechloro-(bis[1-(2-N,N-dimethylaminomethyl)phenyl])vanadium(III)","","- C23 H29 Cl N3 V -","- C23 H29 Cl N3 V -","- C92 H116 Cl4 N12 V4 -","4","1","AB1185","Spek, Anthony L.; Edema, Jilles J.H.; Gambarotta, Sandro","Chlorobis{2-[(dimethylamino)methyl]phenyl-<i>C</i>^1^,<i>N</i>}(pyridine)vanadium(III)","Acta Crystallographica Section C","1994","50","8","1209","1211","10.1107/S0108270194004257","","","0.71073","MoKα","","","0.046","","","0.034","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009927","18.267","0.001","13.738","0.001","11.816","0.001","90","","102.139","0.005","90","","2898.9","0.4","296","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H24 Mo N2 O4 -","- C8 H24 Mo N2 O4 -","- C64 H192 Mo8 N16 O32 -","8","2","AL1071","Román, P.; José, A. S.; Luque, A.; Gutiérrez-Zorrilla, J. M.; Martínez-Ripoll, M.","Bis(<i>tert</i>-butylammonium) molybdate(VI)","Acta Crystallographica Section C","1994","50","8","1189","1191","10.1107/S0108270193014519","","","0.71069","MoKα","","","0.07","","","0.084","","","","","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009928","5.8376","0.0009","6.4746","0.001","6.2534","0.001","90","","104.089","0.005","90","","229.24","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetamide hydrochloride","","- C2 H6 Cl N O -","- C2 H6 Cl N O -","- C4 H12 Cl2 N2 O2 -","2","0.5","AS1105","Liu, Ling-Kang; Luo, Fen-Tair; Hsieh, Li-Chen","Acetamide hydrochloride","Acta Crystallographica Section C","1994","50","8","1333","1335","10.1107/S0108270194001952","","","0.7093","MoKα","","0.031","0.03","","0.042","0.042","","","","","3.14","3.14","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009929","9.208","0.001","32.454","0.002","5.495","0.003","90","","90","","90","","1642.1","0.9","293","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 Na2 O15 S2 -","- C24 N2 Na2 O15 S2 -","- C48 N4 Na4 O30 S4 -","2","0.5","AS1108","Oyama, Yoshiaki; Imajo, Seiichi; Tanaka, Rie; Ishiguro, Masaji","A hydrate of the sodium salt of a penem carboxylic acid","Acta Crystallographica Section C","1994","50","8","1254","1256","10.1107/S0108270194002532","","","1.5418","CuKα","","","0.059","","","0.11","","","","","1.92","1.92","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2009930","26.191","0.002","15.218","0.002","6.95","0.002","90","","90","","90","","2770.1","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Ge -","- C17 H16 Ge -","- C136 H128 Ge8 -","8","1","AS1113","Ogawa, Keiichiro; Takeuchi, Yoshito; Manuel, Georges; Boukherroub, Rabah","Spiro[3-germabicyclo[3.1.0]hexane-3,9'-[9]germafluorene]","Acta Crystallographica Section C","1994","50","8","1337","1339","10.1107/S010827019400291X","","","1.5418","CuKα","","","0.025","","","0.026","","","","","2.29","2.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009931","13.6","0.002","14.8693","0.0013","19.444","0.003","90","","91.6","0.01","90","","3930.5","0.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Cyclopentadienylbis(triphenylphosphine)(thioacetamide)ruthenium(II) tetrafluoroborate","","- C43 H40 B F4 N P2 Ru S -","- C43 H40 B F4 N P2 Ru S -","- C172 H160 B4 F16 N4 P8 Ru4 S4 -","4","1","BK1031","Bryan, C. D.; Cordes, A.W.; Draganjac, M.","Cyclopentadienyl(thioacetamide-<i>S</i>)bis(triphenylphosphine-<i>P</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section C","1994","50","8","1231","1233","10.1107/S0108270194003495","","","0.7093","MoKα","","0.055","0.038","","0.07","0.059","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009932","10.218","0.003","3.63","0.001","8.315","0.003","90","","120.03","0.02","90","","267.01","0.15","130","","","","","","","","","","","2","C 1 2/m 1","-C 2y","","","","","- Nb Sb2 -","- Nb Sb2 -","- Nb4 Sb8 -","4","0.5","BR1041","Rehr, A.; Kauzlarich, S.M.","NbSb~2~","Acta Crystallographica Section C","1994","50","8","1177","1178","10.1107/S0108270193010996","","","0.71073","MoKα","","","0.0224","","","0.0615","","","","","1.29","1.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009933","5.357","0.001","17.759","0.003","10.251","0.001","90","","101.34","0.01","90","","956.2","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C32 H48 N16 O12 -","4","1","BR1053","Parvez, M.; Ferguson, G.","1,7,9-Trimethyl-2,6-purinedione monohydrate, C~8~H~10~N~4~O~2~.H~2~O","Acta Crystallographica Section C","1994","50","8","1303","1305","10.1107/S0108270193012636","","","0.71069","MoKα","","","0.046","","","0.049","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009934","5.317","0.002","7.916","0.004","8.095","0.005","74.58","0.05","89.38","0.04","70.39","0.03","308.2","0.3","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- Bi4 Cu3 O14 V2 -","- Bi4 Cu3 O14 V2 -","- Bi4 Cu3 O14 V2 -","1","0.5","BR1063","Deacon, Glen B.; Gatehouse, Bryan M.; Ward, Gregory N.","Cu~3~Bi~4~V~2~O~14~, a new compound","Acta Crystallographica Section C","1994","50","8","1178","1180","10.1107/S010827019400466X","","","0.71073","MoKα","","0.0543","0.0398","","0.0805","0.0576","","","","","0.54","0.54","","","","","has coordinates","282539","2023-04-10","16:58:01",""
"2009935","9.368","0.002","9.382","0.002","11.881","0.003","100.12","0.01","106.37","0.02","113.3","0.02","869.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(tetrapropylammonium) hexachlorodicuprate(II)","bis(tetrapropylammonium) hexachlorodicuprate(II)","","- C24 H56 Cl6 Cu2 N2 -","- C24 H56 Cl6 Cu2 N2 -","- C24 H56 Cl6 Cu2 N2 -","1","0.5","BR1067","Hu, Guozhi; Holt, Elizabeth M.","Bis(tetrapropylammonium) hexachlorodicuprate(II)","Acta Crystallographica Section C","1994","50","8","1212","1214","10.1107/S0108270194001551","","","0.71073","MoKα","","0.0845","0.0467","","0.13","0.104","","","","1.079","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009936","4.657","0.001","5.743","0.001","8.214","0.001","104.02","0.02","99.94","0.02","95.06","0.02","207.99","0.07","292","","292","","","","","","","","","5","P -1","-P 1","2","","Potassium Magnesium Hydrogendisulfate Dihydrate","","- H5 K Mg O10 S2 -","- H5 K Mg O10 S2 -","- H5 K Mg O10 S2 -","1","0.5","BR1069","Macíček, Josef; Gradinarov, Stefan; Bontchev, Ranko; Balarew, Christo","A short dynamically symmetrical hydrogen bond in the structure of K[Mg(H~0.5~SO~4~)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1994","50","8","1185","1188","10.1107/S0108270194002027","","","0.71073","MoKα","","0.085","0.026","","0.064","0.029","","","","1.915","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009937","7.388","0.003","10.432","0.001","16.929","0.002","90","","100.29","0.02","90","","1283.8","0.6","300","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","CD1052","Vasudevan, K.T.; Puttaraja; Kulkarni, M.V.","2-(<i>o</i>-Methoxyphenoxy)-1-methylbenzimidazole, C~15~H~14~N~2~O~2~","Acta Crystallographica Section C","1994","50","8","1286","1288","10.1107/S0108270193010728","","","0.7107","MoKα","","","0.051","","","0.051","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009938","6.988","0.005","17.76","0.008","15.929","0.007","90","","90","","90","","1976.9","1.9","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-cis-diammine(guanosine-N^7^)platinum(II) nitrate","","- C10 H23 Cl N8 O10 Pt -","- C10 H23 Cl N8 O10 Pt -","- C40 H92 Cl4 N32 O40 Pt4 -","4","1","CD1054","Georgia M. Arvanitis; Dan Gibson; Thomas J. Emge; Helen M. Berman","Platinum(II) triamine complexes: <i>cis</i>-[PtCl(NH~3~)~2~(C~10~H~13~N~5~O~5~)]NO~3~.2H~2~O and [PtCl(C~2~H~8~N~2~)(C~4~H~6~N~2~)]NO~3~","Acta Crystallographica Section C","1994","50","8","1217","1220","10.1107/S010827019301073X","","","0.7173","MoKα","","0.073","0.048","","0.052","0.045","","","","1.173","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009939","31.875","0.004","5.118","0.002","15.398","0.002","90","0.01","106.14","0.01","90","0.01","2413","1","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloroethylenediamine(1-methylimidazole-N^3^)platinum(II) nitrate","","- C6 H14 Cl N5 O3 Pt -","- C6 H14 Cl N5 O3 Pt -","- C48 H112 Cl8 N40 O24 Pt8 -","8","1","CD1054","Georgia M. Arvanitis; Dan Gibson; Thomas J. Emge; Helen M. Berman","Platinum(II) triamine complexes: <i>cis</i>-[PtCl(NH~3~)~2~(C~10~H~13~N~5~O~5~)]NO~3~.2H~2~O and [PtCl(C~2~H~8~N~2~)(C~4~H~6~N~2~)]NO~3~","Acta Crystallographica Section C","1994","50","8","1217","1220","10.1107/S010827019301073X","","","0.7173","MoKα","","0.05","0.086","","0.059","0.064","","","","1.306","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009940","5.0862","0.0005","8.0018","0.0008","26.067","0.003","90","","90","","90","","1060.89","0.19","287","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","CD1065","Pugazhenthi, U.; Delbaere, L. T. J.; Kumar, S. V. P.; Stuart, A. L.; Gupta, S. V.","2',3'-Didehydro-2',3'-dideoxy-5-hydroxymethyluridine","Acta Crystallographica Section C","1994","50","8","1262","1265","10.1107/S0108270193013381","","","1.5418","CuKα","","","0.04","","","0.039","","","","","3.489","3.489","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009941","9.179","0.002","16.978","0.004","17.263","0.003","90","","102.84","0.03","90","","2623","1","294","1","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H92 Ga2 P6 -","- C40 H92 Ga2 P6 -","- C80 H184 Ga4 P12 -","2","0.5","CR1073","Kirschbaum, K.; Giolando, D.M.","Co-crystallized bis(μ-<i>tert</i>-butylphosphido)bis(di-<i>tert</i>-butylgallium) and tetra-<i>tert</i>-butylcyclotetraphosphane","Acta Crystallographica Section C","1994","50","8","1244","1247","10.1107/S0108270193012053","","","0.71073","MoKα","","","0.041","","","0.051","","","","","1.59","1.59","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009942","9.468","0.002","13.725","0.003","17.341","0.004","90","","78.963","0.006","90","","2211.8","0.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C28 H24 Fe Si -","- C28 H24 Fe Si -","- C112 H96 Fe4 Si4 -","4","1","CR1084","Palmer, R. T.; Radonovich, L. J.; McCormick, F. B.","Ferrocenyltriphenylsilane","Acta Crystallographica Section C","1994","50","8","1199","1201","10.1107/S0108270193014192","","","0.71073","MoKα","","","0.041","","","0.05","","","","","1.594","1.594","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009943","8.514","0.001","8.817","0.001","6.028","0.001","96.66","0.01","93.35","0.01","93.83","0.01","447.45","0.1","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O4 S -","- C7 H11 N O4 S -","- C14 H22 N2 O8 S2 -","2","1","CR1091","Shubnell, A. J.; Squattrito, P. J.","Monohydrates of two isomers of aminotoluenesulfonic acid","Acta Crystallographica Section C","1994","50","8","1296","1299","10.1107/S0108270193012077","","","0.71069","MoKα","","","0.036","","","0.039","","","","","3.08","3.08","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009944","11.365","0.003","9.142","0.002","17.671","0.001","90","","96.93","0.01","90","","1822.6","0.6","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C7 H11 N O4 S -","- C7 H11 N O4 S -","- C56 H88 N8 O32 S8 -","8","1","CR1091","Shubnell, A. J.; Squattrito, P. J.","Monohydrates of two isomers of aminotoluenesulfonic acid","Acta Crystallographica Section C","1994","50","8","1296","1299","10.1107/S0108270193012077","","","0.71069","MoKα","","","0.036","","","0.038","","","","","2.65","2.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009945","6.2145","0.0009","11.5961","0.0009","12.885","0.0011","101.31","0.007","92.588","0.009","91.661","0.008","908.9","0.17","295","2","","","","","","","","","","4","P -1","-P 1","2","","1-acetoxy-4-tert-butyl-8-pentafluorophenyl-7-oxabicyclo[4.2.0]octane","","- C19 H21 F5 O3 -","- C19 H21 F5 O3 -","- C38 H42 F10 O6 -","2","1","CR1119","Brock, Carolyn Pratt; Lloyd, Michael A.; Sundar Vasudevan; Watt, David S.; Hiroyuki Morita","Product of a Paterno–Büchi reaction of pentafluorobenzaldehyde and 4-<i>tert</i>-butyl-1-acetoxycyclohexene","Acta Crystallographica Section C","1994","50","8","1345","1347","10.1107/S0108270194001538","","","0.71073","MoKα","","","0.047","","","0.04","","","","","1.72","1.72","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009946","8.15","0.003","10.07","0.003","6.159","0.002","90","","90","","90","","505.5","0.3","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Li3 S3 -","- B Li3 S3 -","- B4 Li12 S12 -","4","0.5","DU1068","Vinatier, P.; Gravereau, P.; Ménétrier, M.; Trut, L.; Levasseur, A.","Li~3~BS~3~","Acta Crystallographica Section C","1994","50","8","1180","1183","10.1107/S0108270193013630","","","0.7107","MoKα","","","0.069","","","0.058","","","","","3.795","3.795","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009947","7.571","0.001","9.0862","0.0007","9.916","0.001","90","","109.064","0.005","90","","644.73","0.12","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- La Mo5 O8 -","- La Mo5 O8 -","- La4 Mo20 O32 -","4","1","DU1072","Gall, P.; Gougeon, P.","Redetermination of the structure of LaMo~5~O~8~ by single-crystal X-ray diffraction","Acta Crystallographica Section C","1994","50","8","1183","1185","10.1107/S0108270194000624","","","0.71073","MoKα","","","0.026","","","0.033","","","","","0.971","0.971","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009948","6.562","0.001","12.296","0.001","18.57","0.001","90","","97.62","","90","","1485.1","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C56 H80 N16 O12 S4 -","4","1","HA1060","Casas, J.S.; Castiñeiras, A.; Couce, M.D.; Sordo, J.; Varela, J.M.","Thiamin acetate, C~12~H~17~N~4~OS^+^.C~2~H~3~O~2~^{-^}","Acta Crystallographica Section C","1994","50","8","1265","1267","10.1107/S0108270193012466","","","0.7093","MoKα","","","0.069","","","0.075","","","","","1.59","1.59","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2009949","7.554","0.002","13.523","0.002","25.524","0.004","90","","90","","90","","2607.3","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","HA1063","Jong, T.-T.; Chen, C.-T.","Roburic acid, a triterpene 3,4-seco acid","Acta Crystallographica Section C","1994","50","8","1326","1328","10.1107/S0108270193013228","","","0.71069","MoKα","","","0.0469","","","0.0596","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009950","19.531","0.003","19.531","0.003","14.131","0.003","90","","90","","90","","5390.4","1.6","293","","","","","","","","","","","4","I 41/a","-I 4ad","","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C240 H208 N16 O64 -","16","","HA1084","Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.","2-(3-Benzyloxy-4-nitrophenyl)oxirane, an intermediate in the synthesis of formoterol","Acta Crystallographica Section C","1994","50","8","1294","1295","10.1107/S0108270193014477","","","0.71063","MoKα","","","0.05","","","0.058","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009951","6.848","0.004","6.865","0.002","11.763","0.004","76.88","0.002","98.86","0.03","111.5","0.03","499.6","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","4-amino-1,6-dihydro-2-methylthio-6-oxopyrimidine trihydrate","","- C5 H13 N3 O4 S -","- C5 H13 N3 O4 S -","- C10 H26 N6 O8 S2 -","2","1","HA1089","Low, John N.; Scrimgeour, Sheelagh N.; Egglishaw, Clare; Howie, R. Alan; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco","4-Amino-2-methylthio-6-oxo-1,6-dihydropyrimidine and its 1-methyl derivative and 4-amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidine and its 5-nitroso derivative","Acta Crystallographica Section C","1994","50","8","1329","1333","10.1107/S0108270194000946","","","0.7107","MoKα","","0.053","0.036","","0.042","0.041","","","","","2.8","2.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009952","7.594","0.005","9.821","0.006","11.271","0.006","90","","109.83","0.04","90","","790.8","0.8","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-1,6-dihydro-1-methyl-2-methylthio-6-oxopyrimidine","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","HA1089","Low, John N.; Scrimgeour, Sheelagh N.; Egglishaw, Clare; Howie, R. Alan; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco","4-Amino-2-methylthio-6-oxo-1,6-dihydropyrimidine and its 1-methyl derivative and 4-amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidine and its 5-nitroso derivative","Acta Crystallographica Section C","1994","50","8","1329","1333","10.1107/S0108270194000946","","","0.7107","MoKα","","0.05","0.041","","0.051","0.05","","","","","4.27","4.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009953","7.399","0.004","9.964","0.006","10.773","0.006","90","","109.96","0.04","90","","746.5","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-1,6-dihydro-1-methyl-2-methoxy-6-oxopyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","HA1089","Low, John N.; Scrimgeour, Sheelagh N.; Egglishaw, Clare; Howie, R. Alan; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco","4-Amino-2-methylthio-6-oxo-1,6-dihydropyrimidine and its 1-methyl derivative and 4-amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidine and its 5-nitroso derivative","Acta Crystallographica Section C","1994","50","8","1329","1333","10.1107/S0108270194000946","","","0.7107","MoKα","","0.156","0.042","","0.043","0.039","","","","","2.72","2.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009954","7.415","0.002","7.419","0.003","8.759","0.003","92.24","0.03","92.55","0.03","69.21","0.03","449.9","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-amino-1,6-dihydro-1-methyl-2-methoxy-5-nitroso-6-oxopyrimidine monohydrate","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C12 H20 N8 O8 -","2","1","HA1089","Low, John N.; Scrimgeour, Sheelagh N.; Egglishaw, Clare; Howie, R. Alan; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco","4-Amino-2-methylthio-6-oxo-1,6-dihydropyrimidine and its 1-methyl derivative and 4-amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidine and its 5-nitroso derivative","Acta Crystallographica Section C","1994","50","8","1329","1333","10.1107/S0108270194000946","","","0.7107","MoKα","","0.083","0.041","","0.048","0.047","","","","","3.92","3.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009955","20.4313","0.0016","13.6266","0.0015","25.68","0.002","90","","92.863","0.006","90","","7140.6","1.1","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-[(5-methylfurfuryl)oxycarbonylmethoxy]- calix[4]arene","","- C76 H88 O16 -","- C76 H88 O16 -","- C304 H352 O64 -","4","0.5","HA1090","Ferguson, George; Li, Yiwei; McKervey, M. Anthony; Madigan, Evelyn","5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-[(5-methylfurfuryl)oxycarbonylmethoxy]calix[4]arene","Acta Crystallographica Section C","1994","50","8","1320","1323","10.1107/S0108270194000958","","","0.71067","MoKα","","0.164","0.07","","0.103","0.093","","","","","2.32","2.32","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2009956","20.596","0.008","10.622","0.005","21.523","0.009","90","","99.35","0.03","90","","4646","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Bis(3-mercapto-1,3-bis(2-thienyl)-prop-2-enone-O,S)palladium(II)","","- C22 H14 O2 Pd S6 -","- C22 H11 O2 Pd S6 -","- C176 H88 O16 Pd8 S48 -","8","2","HA1091","Baxter, Lesley A.M.; Blake, Alexander J.; Dijksma, Fokke J.J.; Gould, Robert O.; Heath, Graham A.","<i>cis</i>-Bis[3-sulfido-1,3-bis(2-thienyl)prop-2-enone-<i>O</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1994","50","8","1225","1227","10.1107/S010827019301426X","","","0.71073","MoKa","","0.1811","0.0603","","0.1347","0.1167","","","","0.793","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009957","13.659","0.003","6.936","0.001","11.98","0.002","90","","90","","90","","1135","0.4","293","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-saccharinperpropanoic acid","3-oxo-1,2-benzisothiazole-2(3H)-perpropanoic acid 1,1-dioxide","","- C10 H9 N O6 S -","- C10 H5 N O6 S -","- C40 H20 N4 O24 S4 -","4","0.5","HA1093","Feeder, N.; Jones, W.","Two <i>N</i>-saccharin peracids","Acta Crystallographica Section C","1994","50","8","1347","1349","10.1107/S0108270194002040","","","0.71069","MoKα","","0.106","0.0683","","0.2373","0.2208","","","","1.097","1.343","1.343","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2009958","8.449","0.002","8.569","0.003","11.1","0.004","66.78","0.03","70.7","0.03","66.22","0.02","661.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","N-saccharinperpentanoic acid","3-oxo-1,2-benzisothiazole-2(3H)-perpentanoic acid 1,1-dioxide","","- C12 H13 N O6 S -","- C12 H12 N O6 S -","- C24 H24 N2 O12 S2 -","2","1","HA1093","Feeder, N.; Jones, W.","Two <i>N</i>-saccharin peracids","Acta Crystallographica Section C","1994","50","8","1347","1349","10.1107/S0108270194002040","","","0.71069","MoKα","","0.0804","0.0475","","0.1383","0.1311","","","","1.087","1.283","1.283","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009959","12.044","0.005","12.27","0.005","14.282","0.006","68.14","0.02","66.968","0.013","71.043","0.014","1762.6","1.3","293","1","293","1","","","","","","","","6","P -1","-P 1","2","","Bis(triphenylphosphine)iminium hexafluorophosphate dichloromethane solvate (1:1)","","- C37 H32 Cl2 F6 N P3 -","- C37 H30 Cl2.01 F6 N P3 -","- C74 H60 Cl4.02 F12 N2 P6 -","2","1","HA1099","Blake, Alexander J.; Freeman, Gideon; Johnson, Brian F.G.; McDougall, Gordon S.","Bis(triphenylphosphine)iminium hexafluorophosphate dichloromethane solvate (1/1)","Acta Crystallographica Section C","1994","50","8","1301","1303","10.1107/S010827019400140X","","","0.71073","MoKα","","0.1446","0.0644","","0.2141","0.1682","","","","1.031","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009960","14.049","0.002","7.5563","0.0007","16.928","0.002","90","","113.409","0.009","90","","1649.1","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","di(o-methoxyphenyl)tin dibromide","","- C14 H14 Br2 O2 Sn -","- C14 H14 Br2 O2 Sn -","- C56 H56 Br8 O8 Sn4 -","4","1","HA1107","Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N.","Bis(<i>o</i>-methoxyphenyl)tin dibromide","Acta Crystallographica Section C","1994","50","8","1207","1209","10.1107/S0108270194003781","","","0.71067","MoKα","","0.09","0.043","","0.059","0.05","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009961","23.074","0.0019","23.074","0.0019","6.9535","0.0009","90","","90","","90","","3702.1","0.6","293","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","6-amino-1,3-dimethyl-5-hydroxoiminomethyluracil","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C112 H160 N64 O48 -","16","1","HA1109","Low, John N.; Ferguson, George; Moreno-Carretero, Miguel N.; Hueso-Ureña, Francisco","6-Amino-5-hydroxyiminomethyl-1,3-dimethyluracil","Acta Crystallographica Section C","1994","50","8","1328","1329","10.1107/S0108270194003793","","","0.7093","MoKα","","0.094","0.042","","0.064","0.056","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009962","5.6987","0.0002","14.384","0.002","17.218","0.003","90","","90","","90","","1411.4","0.3","295","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H14 Cl N O4 S -","- C12 H14 Cl N O4 S -","- C48 H56 Cl4 N4 O16 S4 -","4","1","HE1006","Ibbett, A.J.; Watkin, D.J.; Jones, J.H.","<i>N</i>-Chlorosulfonyl-<small>L</small>-proline benzyl ester","Acta Crystallographica Section C","1994","50","8","1283","1284","10.1107/S0108270193013733","","","1.5418","CuKα","","","0.045","","","0.054","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009963","10.622","0.002","7.836","0.001","14.084","0.002","90","","103.62","0.01","90","","1139.3","0.3","233","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","HH1075","George, C.; Lahti, P. M.; Modarelli, D. A.; Inceli, A.","Substituted diphenyl oxalates","Acta Crystallographica Section C","1994","50","8","1308","1312","10.1107/S0108270193012235","","","1.54184","CuKα","","","0.034","","","0.041","","","","","1.61","1.61","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009964","9.902","0.001","10.012","0.001","12.512","0.002","88.05","0.02","83.27","0.02","84.69","0.02","1226.3","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C52 H68 O8 -","2","1","HH1075","George, C.; Lahti, P. M.; Modarelli, D. A.; Inceli, A.","Substituted diphenyl oxalates","Acta Crystallographica Section C","1994","50","8","1308","1312","10.1107/S0108270193012235","","","1.54184","CuKα","","","0.066","","","0.088","","","","","2.31","2.31","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009965","9.241","0.002","11.402","0.003","14.877","0.002","90","","91.13","","90","","1567.2","0.6","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 O6 -","- C32 H46 O6 -","- C64 H92 O12 -","2","0.5","HH1075","George, C.; Lahti, P. M.; Modarelli, D. A.; Inceli, A.","Substituted diphenyl oxalates","Acta Crystallographica Section C","1994","50","8","1308","1312","10.1107/S0108270193012235","","","0.71073","MoKα","","","0.064","","","0.065","","","","","1.66","1.66","","","","","has coordinates,has disorder","278324","2022-10-03","14:41:53",""
"2009966","12.454","0.003","13.106","0.004","26.755","0.008","90","","90","","90","","4367","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C16 H19 N O -","- C16 H19 N O -","- C192 H228 N12 O12 -","12","3","HL1036","Jong, Ting-Ting; Jean, Meei-Yueh; Lu, Ta-Jung","(1<i>S</i>,2<i>S</i>,5<i>R</i>,6<i>S</i>)-(+)-6-Carbanilino-1,5-dimethyltricyclo[3.2.0.0^2,6^]heptane","Acta Crystallographica Section C","1994","50","8","1359","1362","10.1107/S0108270193012703","","","0.71069","MoKα","","","0.0634","","","0.0674","","","","","1.92","1.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009967","10.879","0.004","4.9238","0.0003","16.388","0.006","90","","104.42","0.02","90","","850.2","0.5","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","HL1043","Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L.","3,5-Dimethoxybenzoic acid and the second polymorph of the 2:1 adduct of 3,5-dinitrobenzoic acid with ethylenediamine","Acta Crystallographica Section C","1994","50","8","1259","1262","10.1107/S0108270193012259","","","0.71073","MoKα","","","0.032","","","0.035","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009968","13.316","0.005","11.192","0.001","14.935","0.005","90","","100.39","0.02","90","","2189.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C72 H72 N40 O32 -","8","2","HL1044","Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.","Molecular co-crystals of carboxylic acids. 16. 1:1 Adduct of 3-nitrobenzoic acid with 3-amino-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1994","50","8","1291","1294","10.1107/S0108270193012260","","","0.71073","MoKα","","","0.036","","","0.04","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009969","8.707","0.004","15.49","0.01","10.476","0.005","90","","105.74","0.06","90","","1359.9","1.3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O4 P Rh -","- C28 H34 N4 O4 P Rh -","- C56 H68 N8 O8 P2 Rh2 -","2","1","KA1050","Kettmann, V.; Dunaj-Jurυ co, M.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1994","50","8","1239","1241","10.1107/S0108270194000107","","","0.71069","MoKα","","","0.052","","","0.05","","","","","1.42","1.42","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009970","10.681","0.001","10.509","0.001","11.157","0.001","90","","107.38","0.01","90","","1195.2","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(3-Benzoylphenyl)ethanone","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","KA1058","Dijana Matak; Mladen Vinković; Miljenko Dumić","1-(3-Benzoylphenyl)ethanone (I) and 3-benzoyl-α-methylbenzeneacetamide methylene chloride solvate (2/1) (II)","Acta Crystallographica Section C","1994","50","8","1339","1342","10.1107/S0108270193013265","","","1.542","CopperKα","","","0.07","","","","","","","","0.305","0.305","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009971","23.902","0.01","8.064","0.002","15.669","0.003","90","","93.11","0.02","90","","3015.7","1.6","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Benzoyl-α-methylbenzeneacetamide methylene chloride hemisolvate","","- C16.5 H16 Cl N O -","- C16.5 H16 Cl N O2 -","- C132 H128 Cl8 N8 O16 -","8","1","KA1058","Dijana Matak; Mladen Vinković; Miljenko Dumić","1-(3-Benzoylphenyl)ethanone (I) and 3-benzoyl-α-methylbenzeneacetamide methylene chloride solvate (2/1) (II)","Acta Crystallographica Section C","1994","50","8","1339","1342","10.1107/S0108270193013265","","","0.71073","MolybdenumKα","","","0.0826","","","0.121","","","","","0.4883","0.4883","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009972","9.314","0.003","18.889","0.004","10.036","0.001","90","","95.47","0.02","90","","1758","1","293","","","","","","","","","","","3","P 1 21 1","","","","","","- C28 H40 O18 -","- C28 H40 O18 -","- C56 H80 O36 -","2","1","","Lewinski, Krzysztof; Marshall, James A.; Beaudoin, Serge","(2S,3R,4S,5R,6S,7R,8R,9S)-1,2,3,4,5,6,7,8,9-Nonaacetoxydecane","Acta Crystallographica Section C","1994","50","","1366","1372","","","","","","","","0.046","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009973","5.904","0.002","11.181","0.005","13.354","0.006","69.04","0.02","77.83","0.02","85.99","0.02","804.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis((2-chloro)-dichloro-tris(isopropanole)-cerium(III))","","- C9 H24 Ce Cl3 O3 -","- C18 H48 Ce2 Cl6 O6 -","- C18 H48 Ce2 Cl6 O6 -","1","0.5","KA1081","Schäfer, Martina; Herbst-Irmer, Regine; Groth, Ulrich; Köhler, Thomas","Di-μ-chloro-bis[dichlorotris(2-propanol)cerium(III)] at 153 K","Acta Crystallographica Section C","1994","50","8","1256","1258","10.1107/S0108270194003409","","","0.71073","MoKα","","0.0736","0.0561","","0.2053","0.1648","","","","1.151","1.036","1.036","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009974","23.571","0.005","7.868","0.001","30.518","0.009","90","","97.33","0.02","90","","5614","2","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C22 H24 Mo2 N2 O9 S -","- C22 H24 Mo2 N2 O9 S -","- C176 H192 Mo16 N16 O72 S8 -","8","1","LI1070","Yu, P.; Huang, L.; Zhuang, B.","A pyridine-2-thiolato molybdenum complex","Acta Crystallographica Section C","1994","50","8","1191","1193","10.1107/S0108270193013678","","","0.71069","MoKα","","","0.056","","","0.059","","","","","2.73","2.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009975","12.18","0.01","12.16","0.01","20.58","0.01","90","","101.46","0.06","90","","2987","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,5,13,17-tetraamino-9,21-dimethylicosatri-7,9,11,19,21,23-hexen-24,25-diol- κ^2^N,κ^2^O)oxo(sulfato)vanadium(IV) pentahydrate","","- C23 H44 N4 O12 S V -","- C23 H44 N4 O12 S V -","- C92 H176 N16 O48 S4 V4 -","4","1","LI1097","Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Sasankasekhar Mohanta; Madeleine Helliwell","A mononuclear oxovanadium(IV) complex [VO(H~2~<i>L</i>)(SO~4~)].5H~2~O derived from a potentially dinucleating tetraaminodiphenol macrocyclic ligand (H~2~<i>L</i>)","Acta Crystallographica Section C","1994","50","8","1204","1207","10.1107/S0108270194002209","","","1.5418","CuKα","","0.1312","0.0705","","0.2094","0.1487","","","","1.114","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009976","11.676","0.003","11.845","0.003","13.11","0.004","72.59","0.03","61.72","0.03","63.44","0.02","1419.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 Cl3 K N3 O12 -","- C19 H27 Cl3 K N3 O12 -","- C38 H54 Cl6 K2 N6 O24 -","2","1","LI1100","Barnes, John C.; Main, Jenifer; Paton, John D.","The 18-crown-6 potassium salt of a Meissenheimer anion, [K(C~7~H~3~Cl~3~N~3~O~6~)(C~12~H~24~O~6~)]","Acta Crystallographica Section C","1994","50","8","1247","1249","10.1107/S010827019400226X","","","0.71069","MoKα","","0.0641","0.036","","0.1387","0.093","","","","0.334","0.332","0.332","","","","","has coordinates","266227","2021-06-07","13:51:06",""
"2009977","14.886","0.006","20.676","0.01","15.239","0.006","90","","103.88","0.03","90","","4553","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Triethylammonium hydrogen dichlorotris(diphenylphosphinito)- rhodium(III) tetrahydrofuran (1/1).","","- C46 H31 Cl2 N O4 P3 Rh -","- C46 H31 Cl2 N O4 P3 Rh -","- C184 H124 Cl8 N4 O16 P12 Rh4 -","4","1","LI1107","Irvine, Derek J.; Cole-Hamilton, David J.; Barnes, John C.; Howie, R. Alan","Triethylammonium hydrogen dichlorotris(diphenylphosphinito-<i>P</i>)rhodium(III) tetrahydrofuran (1/1)","Acta Crystallographica Section C","1994","50","8","1222","1225","10.1107/S0108270194002520","","","0.71069","MoKα","","","0.0683","","","0.1546","","","","","1.051","1.051","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009978","8.014","0.002","16.84","0.003","8.501","0.001","90","","93.53","0.01","90","","1145.1","0.4","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Co N6 O S3 -","- C18 H23 Co N6 O S3 -","- C36 H46 Co2 N12 O2 S6 -","2","1","MU0310","Seth, S.","Tris(4,6-dimethylpyrimidine-2-thiolato-<i>N</i>,<i>S</i>)cobalt(III) monohydrate: a complex with three stable four-membered <i>N</i>,<i>S</i>-chelate rings","Acta Crystallographica Section C","1994","50","8","1196","1199","10.1107/S010827019301159X","","","0.71073","MoKα","","","0.053","","","0.048","","","","","1.365","1.365","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2009979","13.132","0.002","9.433","0.003","9.414","0.002","90","","103.09","0.01","90","","1135.8","0.5","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-Ammine(benzoylhydrazine-N)dichloroplatinum(II)","","- C7 H11 Cl2 N3 O Pt -","- C7 H11 Cl2 N3 O Pt -","- C28 H44 Cl8 N12 O4 Pt4 -","4","2","MU1101","Macíček, Josef; Dodoff, Nicolay; Spassovska, Nadejda","<i>cis</i>-Ammine(benzoylhydrazine-<i>N</i>)dichloroplatinum(II)","Acta Crystallographica Section C","1994","50","8","1214","1217","10.1107/S0108270194001757","","","0.71073","MoKα","","0.174","0.038","","0.188","0.038","","","","5.066","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009980","6.603","0.001","11.933","0.002","16.743","0.003","90","","90","","90","","1319.2","0.4","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Ag N2 O3 -","- C4 H7 Ag N2 O3 -","- C32 H56 Ag8 N16 O24 -","8","1","NA1029","Quirós, M.","Silver 2-pyrimidinolate dihydrate, [Ag(C~4~H~3~N~2~O)].2H~2~O: a case of pseudosymmetry","Acta Crystallographica Section C","1994","50","8","1236","1239","10.1107/S0108270193012995","","","0.71069","MoKα","","","0.034","","","0.064","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009981","14.768","0.003","15.133","0.004","12.818","0.003","90","","112.36","0.02","90","","2649.2","1.1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C23 H28 N8 O6 S2 -","- C23 H28 N8 O6 S2 -","- C92 H112 N32 O24 S8 -","4","1","NA1061","Giuseppetti, G.; Tadini, C.; Bettinetti, G. P.","1:1 Molecular complex of trimethoprim and sulfametrole","Acta Crystallographica Section C","1994","50","8","1289","1291","10.1107/S0108270193013253","","","0.7107","MoKα","","","0.0319","","","0.0524","","","","","1.823","1.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009982","16.465","0.002","7.413","0.002","14.152","0.002","90","","115.2","0.1","90","","1562.9","1.4","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Br2 Cl4 N4 Pd -","- C6 H8 Br2 Cl4 N4 Pd -","- C24 H32 Br8 Cl16 N16 Pd4 -","4","0.5","NA1063","Valle, G.; Ettorre, R.","Bis(3-bromoimidazolium) tetrachloropalladate(II)","Acta Crystallographica Section C","1994","50","8","1221","1222","10.1107/S0108270193014222","","","0.7107","MoKα","","","0.074","","","0.077","","","","","1.2","1.2","","","","","has coordinates","198856","2020-10-21","18:00:00",""
"2009983","9.707","0.001","10.116","0.001","23.262","0.002","90","","90","","90","","2284.2","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C23 H31 N O3 S -","- C23 H31 N O3 S -","- C92 H124 N4 O12 S4 -","4","1","NA1066","Berger, B.; Bolte, M.","A γ-hydroxyvinylsulfoximine, C~23~H~31~NO~3~S","Acta Crystallographica Section C","1994","50","8","1281","1282","10.1107/S0108270194000818","","","1.5418","CuKα","","","0.034","","","0.047","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009984","8.414","0.004","9.253","0.003","23.38","0.01","90","","100.72","0.04","90","","1788.5","1.3","293","","293","","","","","","","","","4","P 1 21/c 1","","","","ethyl 1-methyl-4-(2,6-dimethylphenyl)-2-oxa-3,7,8-triazatricyclo [3,3,0^1,5^,0^6,10^]deca-3,8-diene-7-carboxylate","","- C18 H21 N3 O3 -","- C19 H16 N3 O3 -","- C76 H64 N12 O12 -","4","1","NA1079","Gioanna Gelli; Enzo Cadoni; Marcella Pani; Maria M. Carnasciali; Angelo Mugnoli; Paolo Beltrame","Structure of a triazaoxatricyclodecadiene derivative. Partial disorder and a packing energy study","Acta Crystallographica Section C","1994","50","8","1323","1326","10.1107/S0108270194001617","","","0.7107","MoKα","","","0.0704","","","0.0993","","","","","2.82","2.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009985","9.857","0.001","12.048","0.001","18.6205","0.0006","81.893","0.007","130.239","0.001","115.938","0.008","1485.4","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","5-(2,4-Dichlorophenyl)-2-[(3-furoyl)aminomethyl]-8-methoxy- 1-methyl-2,3-dihydro-1H-1,4-benzodiazepine p-Toluenesulphonate","","- C30 H29 Cl2 N3 O6 S -","- C30 H29 Cl2 N3 O6 S -","- C60 H58 Cl4 N6 O12 S2 -","2","1","NA1088","Peeters, O.M.; Blaton, N.M.; Meurisse, R.L.; De Ranter, C.J.","5-(2,4-Dichlorophenyl)-2-[(3-furoyl)aminomethyl]-8-methoxy-1-methyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1994","50","8","1352","1354","10.1107/S0108270194002349","","","1.54184","CuKα","","0.1143","0.0589","","0.0882","0.0738","","","","","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009986","7.727","0.004","33.04","0.02","11.264","0.006","90","","101.57","0.03","90","","2817","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-Cyanobenzoylaminomethyl)-1-methyl-5-(3-thienyl)-2,3-dihydro- 1H-1,4-benzodiazepine p-Toluenesulphonate","","- C30 H28 N4 O4 S2 -","- C30 H28 N4 O4 S2 -","- C120 H112 N16 O16 S8 -","4","1","NA1089","Peeters, O.M.; Blaton, N.M.; Meurisse, R.L.; De Ranter, C.J.","2-(4-Cyanobenzoylaminomethyl)-1-methyl-5-(3-thienyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1994","50","8","1350","1352","10.1107/S0108270194002337","","","1.54184","CuKα","","0.1024","0.058","","0.0885","0.0843","","","","","3.09","3.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009987","27.414","0.005","9.676","0.003","8.843","0.003","90","","90","","90","","2345.7","1.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H28 N4 O6 -","- C5.75 H7 N O1.5 -","- C23 H28 N4 O6 -","4","1","OH1049","Fukuyama, K.; Irie-Fujii, M.","2-Thymin-1-ylethyl ester of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-tryptophan, C~23~H~28~N~4~O~6~","Acta Crystallographica Section C","1994","50","8","1267","1269","10.1107/S010827019301248X","","","1.5418","CuKα","","","0.057","","","0.073","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009988","17.765","0.003","17.94","0.002","15.39","0.002","90","","90","","90","","4904.9","1.2","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C24 H29 O7 P S -","- C24 H29 O7 P S -","- C192 H232 O56 P8 S8 -","8","1","OH1054","Hayase, S.; Erabi, T.; Wada, M.","Tris(2,6-dimethoxyphenyl)phosphine sulfide monohydrate","Acta Crystallographica Section C","1994","50","8","1276","1279","10.1107/S0108270193012491","","","1.54178","CuKα","","","0.054","","","0.083","","","","","5.48","5.48","","","","","has coordinates","189763","2020-10-21","18:00:00",""
"2009989","36.804","0.005","8.6204","0.0007","12.914","0.001","90","","108.304","0.005","90","","3889.9","0.7","293","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C26 H17 O2 P -","- C26 H17 O2 P -","- C208 H136 O16 P8 -","8","1","OH1056","Tani, K.; Yamagata, T.; Nagata, K.","(±)-8-Phenyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine","Acta Crystallographica Section C","1994","50","8","1274","1276","10.1107/S0108270193012740","","","1.54178","CuKα","","","0.07414","","","0.05531","","","","","1.975","1.975","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009990","16.533","0.007","7.762","0.003","14.844","0.006","90","","103.72","0.04","90","","1850.6","1.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","PA1097","Valla, Alain; Giraud, Michel; Ginderow, Daria","Synthèses et structures de deux acides 5,6-dihydro-6-[aryl]-4-{2-[aryl]-éthényl}-2-oxo-2<i>H</i>-pyrane-3-carboxylique","Acta Crystallographica Section C","1994","50","8","1314","1318","10.1107/S0108270194001423","","","1.5418","radiation:CuKα","","","0.053","","","0.052","","","","","2.765","2.765","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009991","20.533","0.008","7.683","0.003","12.088","0.005","90","","99.57","0.04","90","","1880.4","1.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","PA1097","Valla, Alain; Giraud, Michel; Ginderow, Daria","Synthèses et structures de deux acides 5,6-dihydro-6-[aryl]-4-{2-[aryl]-éthényl}-2-oxo-2<i>H</i>-pyrane-3-carboxylique","Acta Crystallographica Section C","1994","50","8","1314","1318","10.1107/S0108270194001423","","","1.5418","radiation:CuKα","","","0.041","","","0.04","","","","","1.849","1.849","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009992","5.088","0.003","11.566","0.008","14.909","0.012","110.32","0.03","96.62","0.03","91.42","0.03","815.3","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","1-Tosyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic Acid Ethyl Ester","","- C17 H16 N2 O4 S -","- C17 H19 N2 O4 S -","- C34 H38 N4 O8 S2 -","2","1","PA1098","Chiaroni, Angèle; Riche, Claude; Dekhane, Mouloud; Dodd, Robert H.","1-Tosyl-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-5-carboxylic acid ethyl ester","Acta Crystallographica Section C","1994","50","8","1343","1345","10.1107/S0108270194001575","","","1.5418","CuKα","","","0.043","","","0.065","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009993","7.269","0.001","7.517","0.001","10.7","0.001","88.77","0.01","73.9","0.01","76.2","0.01","544.89","0.12","215","2","215","2","","","","","","","","3","P -1","-P 1","2","","2-Acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","SE1049","Müller, Gerhard; Lutz, Martin; Lachmann, Joachim","2-Acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene","Acta Crystallographica Section C","1994","50","8","1318","1320","10.1107/S0108270194001435","","","0.71069","MoKα","","0.063","0.0431","","0.1446","0.1277","","","","1.04","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009994","9.741","0.004","10.287","0.005","16.79","0.009","90","","92.05","0.04","90","","1681.4","1.4","170","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br Pb -","- C19 H17 Br Pb -","- C76 H68 Br4 Pb4 -","4","1","SH1079","Fahrenkampf, U.; Schürmann, M.; Huber, F.","Benzyl(bromo)diphenyllead","Acta Crystallographica Section C","1994","50","8","1252","1254","10.1107/S010827019301412X","","","0.71073","MoKα","","","0.0387","","","0.0941","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009995","30.314","0.004","7.372","0.001","23.336","0.004","90","","126.31","0.01","90","","4202.4","1.2","293","","","","","","","","","","","6","C 1 2 1","C 2y","","","","","- C42 H44 Cl2 N2 O8 S2 -","- C42 H44 Cl2 N2 O8 S2 -","- C168 H176 Cl8 N8 O32 S8 -","4","1","SH1080","Hirschler, J.; Berger, B.; Bolte, M.","A dimeric (phenylsulfonyl)oxazolidine","Acta Crystallographica Section C","1994","50","8","1279","1281","10.1107/S0108270194000120","","","1.5418","CuKα","","","0.038","","","0.048","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009996","12.171","0.002","11.36","0.002","16.118","0.004","90","","91.343","0.007","90","","2227.9","0.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C22 H22 Cl2 O6 -","- C22 H22 Cl2 O6 -","- C88 H88 Cl8 O24 -","4","1","SH1081","Berens, U.; Raabe, G.","2(<i>RS</i>)-<i>r</i>-2-[(<i>RS</i>)-1-(4-Chlorobenzoyloxy)ethyl]-2-ethyl-1,3-dioxolan-<i>c</i>-4-ylmethyl-4-chlorobenzoate","Acta Crystallographica Section C","1994","50","8","1271","1273","10.1107/S0108270193014131","","","0.71069","MoKα","","","0.05","","","0.04","","","","","2.627","2.627","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009997","14.701","0.001","16.093","0.001","11.9489","0.0009","94.104","0.006","91.226","0.006","75.561","0.006","2730.6","0.3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H59 O2 P3 W -","- C64 H59 O2 P3 W -","- C128 H118 O4 P6 W2 -","2","1","ST1067","Kerschner, J. L.; Kriley, C. E.; Fanwick, P. E.; Rothwell, I. P.","A pseudo-octahedral tungsten oxo compound, [WO(C~18~H~12~O)(C~13~H~13~P)~3~].C~7~H~8~","Acta Crystallographica Section C","1994","50","8","1193","1196","10.1107/S0108270194000272","","","0.71073","MoKα","","","0.024","","","0.031","","","","","1.821","1.821","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2009998","6.603","0.004","7.718","0.004","11.26","0.006","90","","90","","90","","573.8","0.6","294","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 F2 N2 O3 -","- C4 H2 F2 N2 O3 -","- C16 H8 F8 N8 O12 -","4","1","ST1077","DesMarteau, D. D.; Pennington, W. T.; Resnati, G.","Fluorinated barbituric acid derivatives","Acta Crystallographica Section C","1994","50","8","1305","1308","10.1107/S0108270193012582","","","0.71073","MoKα","","","0.0536","","","0.0736","","","","","2.96","2.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009999","12.072","0.003","8.349","0.002","18.819","0.007","90","","90","","90","","1896.8","1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","ST1077","DesMarteau, D. D.; Pennington, W. T.; Resnati, G.","Fluorinated barbituric acid derivatives","Acta Crystallographica Section C","1994","50","8","1305","1308","10.1107/S0108270193012582","","","0.71073","MoKα","","","0.0523","","","0.0646","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010000","14.737","0.002","15.2","0.001","20.762","0.003","90","","90","","90","","4650.7","1","293","","","","","","","","","","","7","P b c a","","","","","","- C25 H16 Cl Cu N5 O4 S -","- C25 H16 Cl Cu N5 O4 S -","- C200 H128 Cl8 Cu8 N40 O32 S8 -","8","1","ST1086","Parker, O. Jerry; Manson, Jamie L.; Breneman, Gary L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) perchlorate, [Cu(NCS)(phen)~2~]ClO~4~","Acta Crystallographica Section C","1994","50","8","1201","1203","10.1107/S0108270194003057","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010001","14.934","0.002","27.355","0.005","12.147","0.003","90","","90","","90","","4962.3","1.7","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C55 H52 Au N P4 S3 -","- C57 H57 Au N P4 S3 -","- C228 H228 Au4 N4 P16 S12 -","4","1","ST1090","Staples, R.J.; Wang, S.; Fackler, J.P. Jr; Grim, S.O.; de Laubenfels, E.","[Au(^<i>n^</i>BuPPh~2~){(Ph~2~PS)~3~C}].CH~3~CN: an irregular three-coordinate Au~I~ complex","Acta Crystallographica Section C","1994","50","8","1242","1244","10.1107/S0108270194000570","","","0.71073","MoKα","","","0.0418","","","0.044","","","","","1.008","1.008","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010002","8.023","0.006","10.393","0.004","19.092","0.008","90","","117.74","0.08","90","","1409","1.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","VS1007","Lokaj, J.; Vrábel, V.; Sivý, J.; Ilavský, D.; Koreňová, A.","3-[5-(3-Nitrophenyl)furfurylidene]-2,4-pentanedione, C~16~H~13~NO~5~","Acta Crystallographica Section C","1994","50","8","1312","1314","10.1107/S0108270194000594","","","0.71069","MoKα","","","0.053","","","0.055","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010004","8.024","0.003","11.319","0.001","6.02","0.001","90","","119.38","0.02","90","","476.4","0.2","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cd O5 Se2 -","- Cd O5 Se2 -","- Cd4 O20 Se8 -","4","0.5","AB1079","Valkonen, J.","Cadmium diselenite and cadmium hydrogenselenite selenite","Acta Crystallographica Section C","1994","50","9","1381","1384","10.1107/S010827019301128X","","","0.71073","MoKα","","","2.8","","","3.3","","","","","2.28","2.28","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2010005","9.405","0.001","9.147","0.002","7.284","0.001","90","","112.62","0.01","90","","578.42","0.17","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cd3 H2 O12 Se4 -","- Cd3 O12 Se4 -","- Cd6 O24 Se8 -","2","0.5","AB1079","Valkonen, J.","Cadmium diselenite and cadmium hydrogenselenite selenite","Acta Crystallographica Section C","1994","50","9","1381","1384","10.1107/S010827019301128X","","","0.71073","MoKα","","","3.5","","","4.6","","","","","2.83","2.83","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010006","11.704","0.003","12.141","0.004","14.315","0.006","101.74","0.03","110.75","0.02","106.96","0.02","1709.1","1.2","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 S5 -","- C17 H12 S5 -","- C68 H48 S20 -","4","2","AB1108","Qi, F.; Yu, W.-T.; Xu, J.-H.; Lei, H.; Jiang, M.-H.","5,6-Dihydro-5,6-diphenyl-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiine-2-thione (DHPT-DTT), C~17~H~12~S~5~","Acta Crystallographica Section C","1994","50","9","1519","1522","10.1107/S0108270193014489","","","0.71069","MoKα","","","0.054","","","0.054","","","","","1.254","1.254","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010007","4.523","0.001","18.87","0.001","14.205","0.001","90","","91.134","0.009","90","","1212.1","0.3","293","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","AB1109","İde, S.; Kendi, E.; Özbey, S.; Ertan, N.","The phenylhydrazone form of 2-phenylazo-1,3-indandione","Acta Crystallographica Section C","1994","50","9","1505","1507","10.1107/S0108270193014490","","","1.5418","CuKα","","","0.0532","","","0.052","","","","","0","0","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010008","8.2973","0.0008","8.2973","0.0008","29.435","0.0003","90","","90","","90","","2026.5","0.3","295","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H16 Na4 O20 V2 -","- C8 H16 Na4 O20 V2 -","- C32 H64 Na16 O80 V8 -","4","0.5","AB1114","Pizarro, J.L.; Garcia-Jaca, J.; Rojo, T.; Arriortua, M.I.","Tetrasodium bis(μ-<small>L</small>-tartrato)-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^-bis[oxovanadate(IV)] hexahydrate","Acta Crystallographica Section C","1994","50","9","1394","1396","10.1107/S0108270194001605","","","0.7107","MoKα","","","0.0255","","","0.0269","","","","","1.47","1.47","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2010009","11.2314","0.001","11.2743","0.0009","13.5928","0.001","89.322","0.006","69.114","0.007","81.043","0.007","1586.7","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","2-(Phenyl isothiocyanato-S,N)-2-(triphenylphosphine)-1-tellura-2-rhoda- closo-dodecaborane(12)","","- C25 H31 B10 N P Rh S2 Te -","- C25 H31 B10 N P Rh S2 Te -","- C50 H62 B20 N2 P2 Rh2 S4 Te2 -","2","1","AB1173","Ferguson, George; O'Connell, Donnacha; Spalding, Trevor R.","A (phenyldithiocarbamato)rhodatelluraborane compound: [2-{η^2^-S~2~CN(H)Ph}-2-(PPh~3~)-<i>closo</i>-2,1-RhTeB~10~H~10~]","Acta Crystallographica Section C","1994","50","9","1432","1434","10.1107/S0108270194003768","","","0.71069","MoKα","","0.0224","0.0176","","0.0364","0.0347","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010010","19.4943","0.0015","12.2427","0.0007","8.5428","0.0005","90","","90","","90","","2038.8","0.2","122","2","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethyl adenin-9-ylacetate","Ethyl 9-(6-amino-(imidazo[5,4-d]pyrimidine))-acetate","","- C9 H11 N5 O2 -","- C9 H11 N5 O2 -","- C72 H88 N40 O16 -","8","1","AB1182","Flensburg, Claus; Egholm, Michael","Ethyl 9-adeninylacetate at 122 K","Acta Crystallographica Section C","1994","50","9","1480","1482","10.1107/S010827019400541X","","","1.5418","CuKα","","0.0336","0.0318","","","","","","","1.087","1.114","1.114","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010011","9.991","0.002","15.521","0.003","15.667","0.003","90","","95.67","0.02","90","","2417.6","0.8","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H78 O6 Sm -","- C46 H54 O6 Sm -","- C92 H108 O12 Sm2 -","2","1","AL1056","Qi, G.-Z.; Shen, Q.; Lin, Y.-H.","A bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)samarium(II) complex, [Sm(OAr)~2~(thf)~3~].thf","Acta Crystallographica Section C","1994","50","9","1456","1458","10.1107/S0108270193014234","","","0.71073","MoKα","","","0.057","","","0.059","","","","","0.966","0.966","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010012","12.826","0.001","17.739","0.001","16.422","0.002","90","","95.11","0.01","90","","3721.5","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ZNTPPZ Macrocyle","bis[(Zn~2~(μ-TPPZ)H~2~OCl(μ-ZnCl~4~)(μ-ZnCl~2~)(μ-ZnCl~3~H~2~O)]","","- C24 H20 Cl10 N6 O2 Zn5 -","- C24 H20 Cl10 N6 O2 Zn5 -","- C96 H80 Cl40 N24 O8 Zn20 -","4","1","AL1077","Graf, Marion; Stoeckli-Evans, Helen","A novel inorganic/organic macrocycle involving a binuclear Zn^II^ complex of tetra(2'-pyridyl)pyrazine (TPPZ): bis[Zn~2~(μ-TPPZ)H~2~OCl(μ-ZnCl~4~)(μ-ZnCl~2~)(μ-ZnCl~3~H~2~O)]","Acta Crystallographica Section C","1994","50","9","1461","1464","10.1107/S0108270194000569","","","0.71073","MoKα","","0.037","0.037","","0.055","0.055","","","","","1.08","1.08","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010013","10.618","0.001","21.954","0.001","10.611","0.001","90","","90","","90","","2473.5","0.3","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(1'-allyl-3',5'-di-O-benzoyl-β-D-arabinofuranosyl)uracil","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C104 H96 N8 O32 -","4","1","AS1095","Kentaro Yamaguchi; Yoshiharu Ito; Kazuhiro Haraguchi; Hiromichi Tanaka; Tadashi Miyasaka","A 1'-C-branched uracil nucleoside","Acta Crystallographica Section C","1994","50","9","1472","1474","10.1107/S0108270194001022","","","1.5405","CuKα~1~","","","0.048","","","0.047","","","","","1.5","1.5","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010014","9.321","0.002","11.947","0.002","8.066","0.002","104.86","0.01","109.44","0.01","91.79","0.01","812","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","3Li + , [Cr (C2 O4)3] -3 , 6H2 O1","","","- C6 H12 Cr Li3 O18 -","- C6 H12 Cr Li3 O18 -","- C12 H24 Cr2 Li6 O36 -","2","1","AS1109","Sekine, Akiko; Otsuka, Takuhiro; Ohashi, Yuji; Kaizu, Yokou","Lithium tris(oxalato-<i>O</i>,<i>O</i>')chromate(III) hexahydrate","Acta Crystallographica Section C","1994","50","9","1399","1401","10.1107/S0108270194004282","","","0.71069","MoKα","","","0.032","","","0.048","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010015","22.874","0.004","10.058","0.003","11.338","0.004","90","","90","","90","","2608.5","1.3","294","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C2 H10 N2 S13 Sb8 -","- C2 N2 S13 Sb8 -","- C8 N8 S52 Sb32 -","4","0.5","BK1004","Tan, K.; Ko, Y.; Parise, J.B.","A novel antimony sulfide templated by ethylenediammonium","Acta Crystallographica Section C","1994","50","9","1439","1442","10.1107/S010827019400154X","","","0.7107","MoKα","","","0.047","","","0.052","","","","","1.75","1.75","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010016","13.7601","0.0007","26.229","0.002","24.106","0.003","90","","101.219","0.007","90","","8533.9","1.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H136 Ba4 O23 Ti4 -","- C57 H133 Ba4 O23 Ti4 -","- C228 H532 Ba16 O92 Ti16 -","4","1","BK1009","Gaskins, Ben; Lannutti, John J.; Finnen, Daniel C.; Pinkerton, A. Alan","Tetra-μ~4~-oxo-tris(2-propanol)tetrakis[tetrakis(2-propanolato)titanium]tetrabarium","Acta Crystallographica Section C","1994","50","9","1387","1390","10.1107/S0108270194003690","","","0.71073","MoKα","","0.04","0.027","","","0.037","","","","","1.203","1.203","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010017","10.251","0.003","10.789","0.004","9.943","0.004","109.25","0.03","90.92","0.03","113.76","0.03","936","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-carbonylchlorobis(tricyclohexylphosphine)iridium(I)","","- C37 H66 Cl Ir O P2 -","- C37 H66 Cl Ir O P2 -","- C37 H66 Cl Ir O P2 -","1","0.5","BK1025","Kuwabara, Estelle; Bau, Robert; trans-carbonylchlorobis(tricyclohexylphosphine)iridium(I)","<i>trans</i>-Carbonylchlorobis(tricyclohexylphosphine)iridium(I)","Acta Crystallographica Section C","1994","50","9","1409","1411","10.1107/S0108270194004774","","","0.71069","MoKα","","0.0517","0.0447","","0.0866","0.0838","","","","0.987","0.986","0.986","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010018","4.573","0.003","8.937","0.002","4.57","0.002","90","","90.43","0.04","90","","186.77","0.15","295","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","1","BR1068","Norman C. Baenziger; Larry Grout; Lee S. Martinson; John W. Schweitzer","BaCoS~2~","Acta Crystallographica Section C","1994","50","9","1375","1377","10.1107/S0108270194003707","","","0.71073","MoKα","","","0.021","","","0.025","","","","","1.062","1.062","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010019","11.09","0.003","11.156","0.003","11.952","0.003","97.07","0.02","93.26","0.02","119.22","0.02","1269","0.6","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 Co2 N6 O18 -","- C42 H84 Co2 N6 O18 -","- C42 H84 Co2 N6 O18 -","1","0.5","CD1058","Haendler, H.M.","A cobalt 1-aminocyclohexanecarboxylate complex","Acta Crystallographica Section C","1994","50","9","1419","1422","10.1107/S0108270193013873","","","0.71073","MoKα","","","0.034","","","0.041","","","","","1.41","1.41","","","","","has coordinates","194639","2020-10-21","18:00:00",""
"2010020","8.38","0.001","10.474","0.004","9.554","0.002","90","","102.78","0.01","90","","817.8","0.4","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","CD1062","Orvig, C.; Rettig, S.J.; Zhang, Z.","1-Carboxymethyl-3-hydroxy-2-methyl-4(1<i>H</i>)-pyridinone (monoclinic form 2)","Acta Crystallographica Section C","1994","50","9","1511","1514","10.1107/S0108270194000508","","","0.71069","MoKα","","","0.043","","","0.041","","","","","2.85","2.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010021","10.3329","0.0007","11.199","0.002","12.372","0.001","90","","90","","90","","1431.7","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 Br Mn O3 P2 -","- C8 H14 Br Mn O3 P2 -","- C32 H56 Br4 Mn4 O12 P8 -","4","1","CR1086","Mague, J.T.","<i>fac</i>-[Bis(dimethylphosphino)methane]bromotricarbonylmanganese(I) and -rhenium(I)","Acta Crystallographica Section C","1994","50","9","1391","1394","10.1107/S0108270193014039","","","0.71073","MoKα","","","0.027","","","0.037","","","","","1.204","1.204","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010022","10.365","0.001","11.375","0.003","12.518","0.003","90","","90","","90","","1475.9","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 Br O3 P2 Re -","- C8 H14 Br O3 P2 Re -","- C32 H56 Br4 O12 P8 Re4 -","4","1","CR1086","Mague, J.T.","<i>fac</i>-[Bis(dimethylphosphino)methane]bromotricarbonylmanganese(I) and -rhenium(I)","Acta Crystallographica Section C","1994","50","9","1391","1394","10.1107/S0108270193014039","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.498","1.498","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010023","3.894","0.001","7.866","0.003","14.297","0.007","90","","95.66","0.03","90","","435.8","0.3","163","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,6,9-tetraazathianthrene","","- C8 H4 N4 S2 -","- C8 H4 N4 S2 -","- C16 H8 N8 S4 -","2","0.5","CR1109","Lynch, Vincent M.; Simonsen, Stanley H.; Davis, Brian E.; Martin, Gary E.; Musmar, M. J.; Wing W. Lam; Keith Smith","1,4,6,9-Tetraazathianthrene: a planar thianthrene, C~8~H~4~N~4~S~2~","Acta Crystallographica Section C","1994","50","9","1470","1472","10.1107/S0108270194002234","","","0.71069","MoKα","","0.0375","0.0296","","0.0419","0.0408","","","","","1.478","1.478","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010024","3.901","0.002","3.901","0.002","29.35","0.04","90","","90","","120","","386.8","0.6","293","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca K0.5 S4 Yb1.833 -","- Ca K0.5 S4 Yb1.833 -","- Ca2 K S8 Yb3.666 -","2","0.166667","DU1053","El Fadli, Z.; Lemoine, P.; Tomas, A.; Guittard, M.","Sulfure d'ytterbium, de calcium et de potassium, CaK~0,5~Yb~1,833~S~4~","Acta Crystallographica Section C","1994","50","9","1373","1375","10.1107/S010827019400137X","","","0.71069","MoKα","","","0.0427","","","0.059","","","","","0.32","0.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010025","39.262","0.004","7.897","0.001","46.352","0.005","90","","160.47","0.02","90","","4804","5","291","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Ag N O4 -","- C7 H4 Ag N O4 -","- C168 H96 Ag24 N24 O96 -","24","3","DU1062","Jaber, F.; Charbonnier, F.; Faure, R.; Gebicki, K.","Silver(I) <i>o</i>-nitrobenzoate","Acta Crystallographica Section C","1994","50","9","1444","1447","10.1107/S0108270194001381","","","0.7107","MoKα","","","0.028","","","0.046","","","","","2.65","2.65","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010026","11.605","0.002","11.605","0.002","6.005","0.002","90","","90","","90","","808.7","0.3","293","","","","","","","","","","","5","P -4 21 m","P -4 2ab","","","","","- C3 H9 Cl O5 S -","- C3 H9 Cl O7 S -","- C12 H36 Cl4 O28 S4 -","4","0.5","DU1067","Kolinsky, C.; Puget, R.; de Brauer, C.; Jannin, M.","Structures of trimethyloxosulfonium salts. VIII. New refinement of the perchlorate (CH~3~)~3~SO^+^.ClO~4~^{-^}","Acta Crystallographica Section C","1994","50","9","1514","1516","10.1107/S0108270194000983","","","0.71073","MoKα","","","0.0249","","","0.0246","","","","","0.333","0.333","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010027","9.387","0.002","31.005","0.008","5.1952","0.001","90","","90","","90","","1512","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","DU1076","Wouters, Johan; Evrard, Guy; Durant, Francois","Structure analysis of a reversible monoamine oxidase A inhibitor: 3-{4-[(<i>R</i>)-3-hydroxybutoxy]phenyl}-(<i>R</i>)-5-methoxymethyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","1994","50","9","1490","1492","10.1107/S0108270194003215","","","1.54178","CuKα","","","0.0528","","","0.0664","","","","","1.95","1.95","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010028","6.667","0.001","7.031","0.001","16.426","0.003","90","","90","","90","","770","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Samarium hydrogenselenite selenite dihydrate","","- H5 O8 Se2 Sm -","- H5 O8 Se2 Sm -","- H20 O32 Se8 Sm4 -","4","1","DU1078","Koskenlinna, Markus; Mutikainen, Ilpo; Leskelä, Markku; Niinistö, Lauri","Sm(HSeO~3~)(SeO~3~).2H~2~O","Acta Crystallographica Section C","1994","50","9","1384","1386","10.1107/S0108270194002428","","","0.71073","MoKα","","0.073","0.0456","","0.1041","0.0926","","","","1.029","1.063","1.063","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010029","10.22","0.003","4.0354","0.0009","6.617","0.002","90","","101.36","0.03","90","","267.55","0.13","293","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al3 Si2 Y2 -","- Al3 Si2 Y2 -","- Al6 Si4 Y4 -","2","0.25","DU1080","Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Gladyshevskii, R.E.; Cerny, R.; Yvon, K.","Monoclinic Y~2~Al~3~Si~2~ with a new structure type","Acta Crystallographica Section C","1994","50","9","1377","1379","10.1107/S0108270194002933","","","0.71073","MoKα","","","0.055","","","0.043","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010030","9.8232","0.0006","9.7376","0.0008","9.8716","0.0008","90","","102.803","0.008","90","","920.8","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","spheniscidite","","","- Fe2 H9 N O11 P2 -","- Fe2 H9 N O11 P2 -","- Fe8 H36 N4 O44 P8 -","4","1","","Cavellec, M.; Riou, D.; Ferey, G.","Synthetic Spheniscidite","Acta Crystallographica Section C","1994","50","","1379","1381","","","","","","","","0.0258","","","0.0734","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010031","7.6358","0.0012","6.5671","0.0015","13.746","0.002","90","","90","","90","","689.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-chloro-4-methoxy-6-methyl-1,3,5-triazine","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C20 H24 Cl4 N12 O4 -","4","0.5","HA1106","Blake, Alexander J.; McNab, Hamish; Sloan, John P.","2-Chloro-4-methoxy-6-methyl-1,3,5-triazine","Acta Crystallographica Section C","1994","50","9","1497","1498","10.1107/S0108270194002465","","","0.71073","MoKα","","0.0554","0.038","","0.1183","0.0971","","","","1.04","1.107","1.107","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010032","12.7783","0.0015","9.5867","0.0012","8.2046","0.0012","80.066","0.006","108.617","0.009","95.533","0.008","937.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,1,-dimethyl-5-phenyl-1,2,5-triazapentadienium picrate","","- C16 H16 N6 O7 -","- C16 H16 N6 O7 -","- C32 H32 N12 O14 -","2","1","HA1111","Blake, Alexander J.; Gould, Robert O.; Irving, Iain A.; McNab, Hamish","1,1-Dimethyl-5-phenyl-1,2,5-triazapentadienium picrate","Acta Crystallographica Section C","1994","50","9","1499","1501","10.1107/S0108270194003355","","","0.71073","MoKα","","0.1001","0.0656","","0.2165","0.1871","","","","1.073","1.17","1.17","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010033","12.25","0.003","12.25","0.003","7.309","0.002","90","","90","","90","","1096.8","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Tetraphenyl Phosphonium Aquatrioxo Chromate(V) .","","- C24 H22 Cr O4 P -","- C24 H20 Cr O4 P -","- C48 H40 Cr2 O8 P2 -","2","0.25","HE1008","Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray","Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)]","Acta Crystallographica Section C","1994","50","9","1401","1404","10.1107/S0108270194003148","","","1.5418","CuKα","","0.0836","0.0765","","0.2259","0.1841","","","","1.239","1.239","1.239","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010034","12.306","0.003","12.306","0.003","7.336","0.002","90","","90","","90","","1110.9","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Tetraphenyl Phosphonium Hydroxotrioxo Chromate(VI) .","","- C24 H21 Cr O4 P -","- C24 H20 Cr O4 P -","- C48 H40 Cr2 O8 P2 -","2","0.25","HE1008","Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray","Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)]","Acta Crystallographica Section C","1994","50","9","1401","1404","10.1107/S0108270194003148","","","0.71073","MoKα","","0.0965","0.0732","","0.2629","0.181","","","","1.162","1.192","1.192","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010035","9.373","0.005","34.821","0.018","20.434","0.008","90","","92.6","0.04","90","","6662","6","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Fe Mo O4 P2 -","- C38 H28 Fe Mo O4 P2 -","- C304 H224 Fe8 Mo8 O32 P16 -","8","2","HH1018","Rheingold, A.L.; Haggerty, B.S.; Edwards, A.J.; Housecroft, C.E.; Hattersley, A.D.; Hinze, N.","[1,1'-Bis(diphenylphosphino)ferrocene]tetracarbonylmolybdenum","Acta Crystallographica Section C","1994","50","9","1411","1414","10.1107/S0108270193014076","","","0.71073","MoKα","","","0.0567","","","0.0586","","","","","1.15","1.15","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010036","6.194","0.002","16.474","0.006","8.27","0.003","90","","92.02","0.03","90","","843.3","0.5","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H20 Cu N2 O4 -","- C16 H20 Cu N2 O4 -","- C32 H40 Cu2 N4 O8 -","2","0.5","HH1030","Jedrzejas, M.J.; Towns, R.L.R.; Baker, R.J.; Duraj, S.A.; Hepp, A.F.","<i>trans</i>-Bis(acetato-<i>O</i>)bis(4-methylpyridine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1994","50","9","1442","1443","10.1107/S0108270193013502","","","0.71073","MoKα","","","0.04","","","0.053","","","","","1.142","1.142","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010037","9.21","0.0011","10.156","0.002","17.575","0.002","90","","103.631","0.01","90","","1597.6","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","","","","(1R,4S,5R,6R,8R)-1-ethyl-6-(N-imidazolyl)carbonyloxy-4,6,8- trimethyl-2,9-dioxabicyclo[3.3.1]nonane","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","2","HH1043","Lynch, Vincent M; Lee, Wen-Cherng; Martin, Stephen F.; Davis, Brian E.","A novel dioxabicyclo[3.3.1]nonane, a key intermediate in the synthesis of erythronolide B <i>seco</i>-acid","Acta Crystallographica Section C","1994","50","9","1467","1469","10.1107/S0108270193012880","","","0.71069","MoKα","","0.0459","0.0336","","0.0367","0.0336","","","","","1.07","1.07","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010038","14.139","0.004","7.378","0.002","14.855","0.004","90","","114.22","0.02","90","","1413.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chloro-(bicyclo[2.2.1]hepta-2,5-diene)-(diazabicyclo[4.3.0]non-5-ene) rhodium(I)","","- C14 H20 Cl N2 Rh -","- C14 H20 Cl N2 Rh -","- C56 H80 Cl4 N8 Rh4 -","4","1","HR1015","Flörke, Ulrich; Haupt, Hans-Jürgen","Rhodium(I) complexes with 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) as a ligand: [RhCl(nbd)(dbn)] (I) and [Rh(dbn)~2~(cod)][PF~6~] (II) (nbd = norbornadiene, cod = 1,5-cyclooctadiene)","Acta Crystallographica Section C","1994","50","9","1424","1427","10.1107/S0108270194003823","","","0.71073","MoKα","","0.0923","0.0482","","0.1086","0.0909","","","","1.03","1.074","1.074","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010039","18.245","0.003","8.333","0.001","16.535","0.003","90","","94.92","0.01","90","","2504.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(diazabicyclo[4.3.0]non-5-ene)(cycloocta-1,5-diene)rhodium(I)hexa- fluorophosphate","","- C22 H36 F6 N4 P Rh -","- C22 H36 F6 N4 P Rh -","- C88 H144 F24 N16 P4 Rh4 -","4","0.5","HR1015","Flörke, Ulrich; Haupt, Hans-Jürgen","Rhodium(I) complexes with 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) as a ligand: [RhCl(nbd)(dbn)] (I) and [Rh(dbn)~2~(cod)][PF~6~] (II) (nbd = norbornadiene, cod = 1,5-cyclooctadiene)","Acta Crystallographica Section C","1994","50","9","1424","1427","10.1107/S0108270194003823","","","0.71073","MoKα","","0.0416","0.0347","","0.0967","0.0904","","","","1.037","1.046","1.046","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010040","12.056","0.006","12.293","0.005","15.843","0.006","84.01","0.04","74.91","0.06","86.29","0.05","2252.9","1.8","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N4 O15 U2 -","- C44 H44 N4 O16 U2 -","- C88 H88 N8 O32 U4 -","2","1","HU1037","Rombertus van Doorn, A.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","A salophene–uranium–water complex","Acta Crystallographica Section C","1994","50","9","1449","1451","10.1107/S0108270194000065","","","0.7107","Mo","","","0.04","","","0.051","","","","","1.24","1.24","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010041","9.48","0.002","9.48","0.002","24.792","0.002","90","","90","","120","","1929.6","0.6","296","","296","","","","","","","","","4","P 32 2 1","P 32 2""","154","","(Z,Z)-5-anilino-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine","","- C10 H8 F6 N4 -","- C10 H8 F6 N4 -","- C60 H48 F36 N24 -","6","1","HU1096","Abdul-Ghani, Mohamad; Beagley, Brian; Pritchard, Robin G.; Tipping, Anthony E.","(<i>Z</i>,<i>Z</i>)-5-Anilino-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene-2-amine","Acta Crystallographica Section C","1994","50","9","1492","1494","10.1107/S0108270194003720","","","0.71069","MoKα","","","0.065","","","0.03","","","","","2.37","2.37","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010042","4.096","0.002","11.558","0.005","37.25","0.015","90","","99.15","0.03","90","","1741","1.3","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","KA1051","Anulewicz, R.; Pniewska, B.; Milart, P.","2,4,6-Triphenylcyanobenzene and 2,4,6-triphenylnitrobenzene","Acta Crystallographica Section C","1994","50","9","1516","1519","10.1107/S0108270193012661","","","1.54178","CuKα","","","0.0579","","","0.0577","","","","","3.488","3.488","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010043","10.011","0.005","13.163","0.005","28.896","0.008","90","","98.12","0.03","90","","3770","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","KA1051","Anulewicz, R.; Pniewska, B.; Milart, P.","2,4,6-Triphenylcyanobenzene and 2,4,6-triphenylnitrobenzene","Acta Crystallographica Section C","1994","50","9","1516","1519","10.1107/S0108270193012661","","","0.71073","MoKα","","","0.0724","","","0.0566","","","","","2.53","2.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010044","9.703","0.005","11.014","0.004","25.218","0.009","90","","97.91","0.04","90","","2669","2","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C28 H32 N4 O4 P Rh -","- C28 H32 N4 O4 P Rh -","- C112 H128 N16 O16 P4 Rh4 -","4","1","KA1060","Dunaj-Jurčo, M.; Kettmann, V.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)vinylrhodium(III)","Acta Crystallographica Section C","1994","50","9","1427","1430","10.1107/S0108270194001046","","","0.71069","MoKα","","","0.038","","","0.044","","","","","1.17","1.17","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010045","7.546","0.001","9.629","0.001","15.876","0.002","83.16","0.01","81.17","0.01","71.23","0.01","1076.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 F8 -","- C28 H16 F8 -","- C56 H32 F16 -","2","1","KA1075","Leban, Ivan; Zupančič, Nataša; Golič, Ljubo; Šket, Boris","An octafluoronaphthalene:indene (1:2) adduct","Acta Crystallographica Section C","1994","50","9","1465","1467","10.1107/S0108270194002350","","","0.7093","MoKα","","0.0797","0.0401","","0.1255","0.1055","","","","1.013","1.11","1.11","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010046","18.888","0.004","19.495","0.005","17.11","0.004","64.87","0.02","69.28","0.02","65.86","0.02","5080","2","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Cl5 Ir N O4 P2 -","- C48.5 H35 Cl5 Ir N O3 P2 -","- C194 H140 Cl20 Ir4 N4 O12 P8 -","4","2","LI1061","Barbaro, P.; Bianchini, C.; Mealli, C.; Masi, D.","Chloro[<i>o</i>-(diphenylphosphino)benzaldehyde]{<i>N</i>-[<i>o</i>-(diphenylphosphino)benzylidene]ethylamine}(tetrachloro-<i>o</i>-catecholato)iridium(III)","Acta Crystallographica Section C","1994","50","9","1414","1417","10.1107/S0108270193010091","","","1.5418","CuKα","","","0.063","","","0.067","","","","","2.46","2.46","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010047","19.819","0.003","10.364","0.002","13.706","0.003","90","","104.6","0.01","90","","2724.4","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","methyl (3aR,4R,7S,7aS)-1,3-dioxo-7-phenyl-3a,4,7,7a-tetrahydro-4- isobenzofuranylmethanoate","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","LI1094","Monika Mukherjee; Alok K. Mukherjee; M. Helliwell; J. R. Helliwell","Methyl (3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,3-dioxo-7-phenyl-1,3,3a,4,7,7a-hexahydro-4-isobenzofurancarboxylate","Acta Crystallographica Section C","1994","50","9","1485","1487","10.1107/S0108270194002258","","","1.5406","CuKα","","0.0662","0.0512","","0.1582","0.1288","","","","1.157","1.13","1.13","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010048","36.52","0.003","6.84","0.002","18.241","0.002","90","","108.03","0.02","90","","4332.8","1.5","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'- (pyridylmethyl) -1,3-propanodiamine)-vanadium (IV) hemihydrate","","- C24 H28 N3 O3.5 V -","- C24 H28 N3 O3.5 V -","- C192 H224 N24 O28 V8 -","8","1","LI1102","Neves, Ademir; Vencato, Ivo; Mascarenhas, Yvonne P.","[<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-<i>N</i>-methyl-<i>N</i>'-(2-pyridylmethyl)-1,3-propanediamine]oxovanadium(IV) hemihydrate, [VO(bbmppn)].0.5H~2~O","Acta Crystallographica Section C","1994","50","9","1417","1419","10.1107/S0108270194002672","","","1.54184","CuKα","","","0.0747","","","0.0823","","","","","5.09","5.09","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2010049","10.503","0.003","10.268","0.003","21.75","0.004","90","","97.03","0.02","90","","2328","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[α,α-Bis(1-methyl-4-trifluoromethylpyrazol-3-yl)]benzyl benzoate","","- C24 H18 F6 N4 O2 -","- C24 H18 F6 N4 O2 -","- C96 H72 F24 N16 O8 -","4","1","LI1106","Barlow, M.G.; Pritchard, R.G.; Tajammal, S.; Tipping, A.E.","α,α-Bis(1-methyl-4-trifluoromethyl-5-pyrazolyl)benzyl benzoate and α-(1-methyl-4-trifluoromethyl-3-pyrazolyl)-α-(1-methyl-4-trifluoromethyl-5-pyrazolyl)benzyl benzoate: an investigation into the direction of diazomethane addition to α,α-bis(3,3,3-trifluoropropynyl)benzyl benzoate","Acta Crystallographica Section C","1994","50","9","1487","1490","10.1107/S0108270194002519","","","0.71069","MoKα","","","0.0548","","","0.036","","","","","2.55","2.55","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010050","9.701","0.003","26.934","0.007","8.832","0.002","94.18","0.02","93.37","0.02","85.44","0.02","2291","1.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","[α-(1-methyl-4-trifluoromethylpyrazol-3-yl)-α-(1-methyl-4- trifluoromethylpyrazol-5-yl)]benzyl benzoate","","- C24 H18 F6 N4 O2 -","- C24 H18 F6 N4 O2 -","- C96 H72 F24 N16 O8 -","4","2","LI1106","Barlow, M.G.; Pritchard, R.G.; Tajammal, S.; Tipping, A.E.","α,α-Bis(1-methyl-4-trifluoromethyl-5-pyrazolyl)benzyl benzoate and α-(1-methyl-4-trifluoromethyl-3-pyrazolyl)-α-(1-methyl-4-trifluoromethyl-5-pyrazolyl)benzyl benzoate: an investigation into the direction of diazomethane addition to α,α-bis(3,3,3-trifluoropropynyl)benzyl benzoate","Acta Crystallographica Section C","1994","50","9","1487","1490","10.1107/S0108270194002519","","","0.71069","MoKα","","","0.0685","","","0.0614","","","","","3.272","3.272","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010051","16.299","0.003","8.041","0.001","10.148","0.002","90","","106.56","0.01","90","","1274.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-anti-cis-1-Acetoxytricyclo[7.3.0.0^2,7^]dodecan-8-one","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","LI1109","Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Brosse, Nicolas; Jamart-Grégoire, Brigitte; Caubère, Paul","Elucidation of the mechanism of transposition of tricyclo[<i>m</i>.<i>n</i>.0.0^2,<i>m^+1</i>]alka-2,3,<i>m</i>+2-triol derivatives: the stereochemistry of <i>cis</i>-<i>anti</i>-<i>cis</i>-1-acetoxytricyclo[7.3.0.0^2,7^]dodecan-8-one","Acta Crystallographica Section C","1994","50","9","1482","1485","10.1107/S0108270194003161","","","1.54056","CuKα~1~","","0.1398","0.0453","","0.1033","0.0847","","","","0.735","1.034","1.034","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010052","8.987","0.001","14.09","0.003","15.543","0.002","90","","101.67","0.01","90","","1927.5","0.5","292","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Co N6 Na O2 -","- C20 H12 Co N6 Na O2 -","- C80 H48 Co4 N24 Na4 O8 -","4","1","MU1091","Wong, W.-T.; Che, C.-M.","Sodium <i>trans</i>-dicyano[<i>N</i>,<i>N</i>'-1,2-phenylenebis(2-pyridinecarboxamido)]cobaltate(III)","Acta Crystallographica Section C","1994","50","9","1407","1409","10.1107/S0108270194002076","","","0.71073","MoKα","","","0.024","","","0.036","","","","","0.956","0.956","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010053","15.701","0.002","15.701","0.002","16.987","0.002","90","","90","","90","","4187.7","0.9","293","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl2 N4 Ru -","- C160 H160 Cl16 N32 Ru8 -","8","","MU1092","Wong, W.-T.; Lau, T.-C.","<i>trans</i>-Dichlorotetrapyridineruthenium(II)","Acta Crystallographica Section C","1994","50","9","1406","1407","10.1107/S0108270194002088","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010054","11.278","0.005","19.531","0.007","14.204","0.002","90","","100.38","0.02","90","","3077.5","1.8","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Li2 Mo2 O14 P2 -","- C56 H68 Li2 Mo2 O14 P2 -","- C112 H136 Li4 Mo4 O28 P4 -","2","0.5","MU1093","Wong, W.-T.; Wong, W.-K.","Bis[tris(tetrahydrofuran)lithium(1+)] bis(μ-diphenylphosphanido)bis(tetracarbonylmolybdate)(2‒)","Acta Crystallographica Section C","1994","50","9","1404","1406","10.1107/S010827019400209X","","","0.71073","MoKα","","","0.068","","","0.088","","","","","3.918","3.918","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010055","8.807","0.019","15.163","0.005","21.47","0.04","90","","90","","90","","2867","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[pentacarbonyl[1'R,2'S,3'R,6'R-2'-tert-buthyldimethylsilyloxy-6'- (2-furyl)-4'-oxo]cyclohex-1'-ylmethoxymethylen]tungsten(0) complex","","- C25 H32 O9 Si W -","- C25 H32 O9 Si W -","- C100 H128 O36 Si4 W4 -","4","1","MU1103","García-Granda, Santiago; Pérez-Carreqo, Enrique; Paneque-Quevedo, Armando A.; Barluenga, Sofía; Martín, Alfredo","{[(1<i>R</i>,2<i>S</i>,3<i>R</i>,6<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-6-(2-furyl)-3-methyl-4-oxocyclohexyl](methoxy)methylene}pentacarbonyltungsten(0)","Acta Crystallographica Section C","1994","50","9","1430","1432","10.1107/S0108270194003173","","","0.71073","MoKα","","0.0253","0.0178","","0.0477","0.0469","","","","1.059","1.099","1.099","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010056","15.556","0.003","7.682","0.002","12.384","0.002","90","","96.8","0.02","90","","1469.5","0.5","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H24 Cl2 N4 O3 Zn -","- C6 H24 Cl2 N4 O3 Zn -","- C24 H96 Cl8 N16 O12 Zn4 -","4","1","NA1043","Marzotto, A.; Clemente, D.A.; Valle, G.","Racemic chloro[tris(2-aminoethyl)amine]zinc(II) chloride trihydrate, [ZnCl(C~6~H~18~N~4~)]Cl.3H~2~O","Acta Crystallographica Section C","1994","50","9","1451","1456","10.1107/S0108270193012739","","","0.71069","MoKα","","","0.04","","","0.044","","","","","0.697","0.697","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010057","7.169","0.004","9.244","0.002","15.308","0.002","93.79","0.01","99.1","0.03","109.53","0.03","936.3","0.6","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cl2 N2 S4 Sn -","- C10 H20 Cl2 N2 S4 Sn -","- C20 H40 Cl4 N4 S8 Sn2 -","2","1","NA1056","Bohra, R.; Sharma, S.; Dhammani, A.","<i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1994","50","9","1447","1449","10.1107/S0108270194000880","","","0.71069","MoKα","","","0.018","","","0.031","","","","","0.94","0.94","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010058","12.793","0.004","17.292","0.002","17.244","0.004","90","","110.36","0.02","90","","3576.3","1.5","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C24 H18 N9 Nd O24 S3 -","- C24 H18 N9 Nd O24 S3 -","- C96 H72 N36 Nd4 O96 S12 -","4","1","NA1059","Ayala, J.D.; Vicentini, G.; Del Pra, A.; Bombieri, G.","Isomorphous compounds [Nd(TDTD)~1.5~(pic)~3~] and [Er(TDTD)~1.5~(pic)~3~] (pic = picrate, TDTD = <i>trans</i>-1,4-dithiane <i>S</i>,<i>S</i>'-dioxide)","Acta Crystallographica Section C","1994","50","9","1458","1461","10.1107/S010827019301340X","","","0.7107","MoKα","","","0.039","","","0.04","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010059","12.735","0.005","16.967","0.004","17.354","0.002","90","","111.11","0.02","90","","3498.1","1.7","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C24 H18 Er N9 O24 S3 -","- C24 H18 Er N9 O24 S3 -","- C96 H72 Er4 N36 O96 S12 -","4","1","NA1059","Ayala, J.D.; Vicentini, G.; Del Pra, A.; Bombieri, G.","Isomorphous compounds [Nd(TDTD)~1.5~(pic)~3~] and [Er(TDTD)~1.5~(pic)~3~] (pic = picrate, TDTD = <i>trans</i>-1,4-dithiane <i>S</i>,<i>S</i>'-dioxide)","Acta Crystallographica Section C","1994","50","9","1458","1461","10.1107/S010827019301340X","","","0.7107","MoKα","","","0.04","","","0.048","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010060","6.496","0.001","7.993","0.001","20.831","0.003","90","","90","","90","","1081.6","0.3","295","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl-β-D-galacturonic acid methyl ester","","- C8 H16 O8 -","- C8 H16 O8 -","- C32 H64 O32 -","4","1","NA1060","Lamba, Doriano; Fabrizi, Giancarlo; Matsuhiro, Betty","Methyl-α-<small>D</small>-galacturonic acid methyl ester","Acta Crystallographica Section C","1994","50","9","1494","1497","10.1107/S0108270193014210","","","0.71073","MoKα","","0.0538","0.0443","","","0.061","","","","","1.12","1.12","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010061","6.592","0.001","21.621","0.004","16.894","0.004","90","","90","","90","","2407.8","0.8","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-(3S,4R)-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl- 4-piperidinecarboxylic acid Hydrobromide","","- C26 H30 Br F N2 O2 -","- C26 H30 Br F N2 O2 -","- C104 H120 Br4 F4 N8 O8 -","4","1","NA1090","Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.","Structure and absolute configuration of (‒)-(3<i>S</i>,4<i>R</i>)-4-carboxy-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidinium bromide (levocabastine hydrobromide)","Acta Crystallographica Section C","1994","50","9","1501","1503","10.1107/S0108270194002830","","","1.54184","CuKα","","0.0479","0.0293","","0.043","0.038","","","","","0.91","0.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010062","8.657","0.001","9.234","0.001","18.372","0.002","93.59","0.01","97.44","0.01","95.44","0.01","1445.5","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-cyano-1-[2-(methoxycarbonyl)phenyl]-4,5-dihydro-3-pyrazoloate","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","2","NA1094","Pilati, Tullio; Casalone, Gianluigi","Methyl 5-cyano-1-[2-(methoxycarbonyl)phenyl]-4,5-dihydro-3-pyrazolecarboxylate","Acta Crystallographica Section C","1994","50","9","1503","1505","10.1107/S0108270194003136","","","0.71073","MoKα","","","0.041","","","0.049","","","","","2.08","2.08","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2010063","8.22","0.001","12.491","0.006","40.14","0.02","93.45","0.02","95.13","0.04","96.44","0.02","4069","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-oxo-μ-sulfato-bis[oxotris(isothiocyanato)molybdate(V)]","","- C26 H24 Mo2 N10 O7 S7 -","- C26 H24 Mo2 N10 O7 S7 -","- C104 H96 Mo8 N40 O28 S28 -","4","2","NA1097","Kamenar, Boris; Cindrić, Marina; Strukan, Neven","A second triclinic form of pyridinium μ-oxo-μ-sulfato-bis[oxotris(isothiocyanato)molybdate(V)]","Acta Crystallographica Section C","1994","50","9","1396","1399","10.1107/S0108270194004865","","","0.71069","MoKα","","0.3936","0.0844","","0.3889","0.348","","","","0.914","1.227","1.227","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010064","27.099","0.008","5.855","0.005","16.636","0.008","90","","116.69","0.04","90","","2358","3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C96 H80 Cl8 N24 O8 -","8","1","PA1069","Magueres, P.Le.; Ouahab, L.; Hocquet, A.; Fournier, J.","Structures of (1) <i>N</i>-(2-pyridyl)-, (2) <i>N</i>-(3-pyridyl)- and (3) <i>N</i>-(4-pyridyl)-<i>N</i>'-(4-chlorophenyl)urea","Acta Crystallographica Section C","1994","50","9","1507","1511","10.1107/S0108270193013885","","","0.71073","MoKα","","","0.049","","","0.059","","","","","1.383","1.383","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010065","16.628","0.005","10.573","0.002","6.559","0.006","90","","90","","90","","1153.1","1.1","293","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","PA1069","Magueres, P.Le.; Ouahab, L.; Hocquet, A.; Fournier, J.","Structures of (1) <i>N</i>-(2-pyridyl)-, (2) <i>N</i>-(3-pyridyl)- and (3) <i>N</i>-(4-pyridyl)-<i>N</i>'-(4-chlorophenyl)urea","Acta Crystallographica Section C","1994","50","9","1507","1511","10.1107/S0108270193013885","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.464","1.464","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010066","7","0.01","12.813","0.002","12.524","0.002","90","","94.3","0.05","90","","1120.1","1.6","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","PA1069","Magueres, P.Le.; Ouahab, L.; Hocquet, A.; Fournier, J.","Structures of (1) <i>N</i>-(2-pyridyl)-, (2) <i>N</i>-(3-pyridyl)- and (3) <i>N</i>-(4-pyridyl)-<i>N</i>'-(4-chlorophenyl)urea","Acta Crystallographica Section C","1994","50","9","1507","1511","10.1107/S0108270193013885","","","0.71073","MoKα","","","0.047","","","0.063","","","","","1.546","1.546","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010067","7.144","0.004","9.417","0.003","14.862","0.005","90","","90","","100.12","0.03","984.3","0.7","293","1","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","","- C10 H24 Cl4 N4 Pt S2 -","- C14 H32 Cl4 N4 Pt S2 -","- C28 H64 Cl8 N8 Pt2 S4 -","2","0.5","PA1084","Nguyen-Huy Dung; Viossat, B.; Lancelot, J.C.","Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1994","50","9","1434","1437","10.1107/S0108270194001198","","","0.7107","MoKα","","","0.034","","","0.038","","","","","3.5","3.5","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010068","11.128","0.005","7.926","0.003","14.735","0.008","90","","108.1","0.05","90","","1235.3","1","295","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 Cl4 Cu N5 -","- C4 H13 Cl4 Cu N5 -","- C16 H52 Cl16 Cu4 N20 -","4","1","PA1093","Lemoine, P.; Tomas, A.; Viossat, B.; Nguyen-Huy, D.","Tétrachlorocuprate(II) de metformine","Acta Crystallographica Section C","1994","50","9","1437","1439","10.1107/S0108270194002982","","","0.7107","MoKα","","","0.049","","","0.046","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010069","9.518","0.008","16.941","0.012","24.261","0.018","90","","90","","90","","3912","5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-oxo-4-(E)-styryl-N-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-azetidin-3-yl]isoindol-1,3-dione","","- C38 H46 N2 O9 S2 -","- C38 H46 N2 O9 S2 -","- C152 H184 N8 O36 S8 -","4","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","1.5418","CuKα","","","0.048","","","0.064","","","","","0.95","0.95","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010070","9.038","0.004","9.488","0.004","10.443","0.006","92.07","0.03","109.45","0.03","120.31","0.04","705.7","0.7","293","","293","","","","","","","","","5","P 1","P 1","1","","1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-3-methoxy-4-(E)-styrylazetidin-2-one","","- C27 H37 N O6 S2 -","- C29 H39 N O7 S2 -","- C29 H39 N O7 S2 -","1","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","1.5418","CuKα","","","0.055","","","0.075","","","","","0.9","0.9","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010071","10.77","0.007","14.355","0.01","20.69","0.015","90","","90","","90","","3199","4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-butyl-1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-4-[1-methyl-(Z)-styryl]azetidin-2-one","","- C31 H45 N O5 S2 -","- C31 H45 N O5 S2 -","- C124 H180 N4 O20 S8 -","4","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","0.7107","MoKα","","","0.052","","","0.061","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010072","11.408","0.004","6.156","0.001","6.755","0.002","90","","99.69","0.02","90","","467.6","0.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 K2 Ni O10 -","- C2 H8 K2 Ni O10 -","- C4 H16 K4 Ni2 O20 -","2","0.5","SH1076","Zheng, Y. Q.; Adam, A.","Potassium <i>trans</i>-tetraaquadicarbonatonickelate(II), K~2~[Ni(CO~3~)~2~(H~2~O)~4~]","Acta Crystallographica Section C","1994","50","9","1422","1424","10.1107/S0108270193012855","","","0.71069","MoKα","","","0.053","","","0.03","","","","","3.767","3.767","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010073","11.04","0.001","18.373","0.001","7.474","0.001","90","","90","","90","","1516","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 S2 -","- C16 H15 N3 S2 -","- C64 H60 N12 S8 -","4","1","AB1103","Diánez, M.J.; Estrada, M.D.; López-Castro, A.; Pérez-Garrido, S.","<i>N</i>-Phenyl-2-phenyliminotetrahydro-1,3-thiazole-2-carbothioamide, C~16~H~15~N~3~S~2~","Acta Crystallographica Section C","1994","50","10","1640","1642","10.1107/S0108270193013708","","","0.71069","MoKα","","","0.032","","","0.033","","","","","1.67","1.67","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010074","24.07","0.02","12.216","0.007","7.406","0.006","90","","90","","90","","2178","3","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","AB1116","Wenjie, L.; Genbo, S.; Yougping, H.","4-Amino-3-chlorobenzophenone","Acta Crystallographica Section C","1994","50","10","1638","1640","10.1107/S0108270194000843","","","0.71069","MoKα","","","0.062","","","0.072","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010075","19.411","0.004","8.558","0.001","14.522","0.002","90","","93.21","0.01","90","","2408.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(2-mercaptobenzothiazolato)- 2-2'- bipyridine-cadmium(II)","Bis(benzothiazole-2-thiolate)- 2-2'- bipyridine-cadmium(II)","","- C24 H16 Cd N4 S4 -","- C24 H16 Cd N4 S4 -","- C96 H64 Cd4 N16 S16 -","4","0.5","AB1143","Baggio, R.F.; Perec, M.; Garland, M.T.","Bis(1,3-benzothiazole-2-thiolato-<i>N</i>,<i>S</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section C","1994","50","10","1594","1596","10.1107/S0108270194005019","","","0.71073","MoKα","","0.0676","0.041","","0.0833","0.074","","","","1.059","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010076","7.89","0.02","16.824","0.008","9.5187","0.0014","90","0.007","110.168","0.013","90","0.009","1186","3","293","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N, N1-bis(methoxycarbonyl)-N2-phenylguanidine","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","AB1163","Travlos, Spyros Don; White, Julian","1,2-Bis(methoxycarbonyl)-3-phenylguanidine","Acta Crystallographica Section C","1994","50","10","1631","1632","10.1107/S0108270194005007","","","0.71069","MoKα","","0.046","0.0453","","0.126","0.1248","","","","0.745","0.742","0.742","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010077","7.3225","0.0004","9.9618","0.0005","21.413","0.0007","90","","90","","90","","1561.98","0.13","295","","295","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","N',N'-dimethylpiperazidonium(1+) trichloro(dimethyl sulfoxide-S)platinate(II)(1-)","","- C8 H19 Cl3 N2 O2 Pt S -","- C8 H19 Cl3 N2 O2 Pt S -","- C32 H76 Cl12 N8 O8 Pt4 S4 -","4","1","AB1179","Veldman, Nora; Spek, Anthony L.; Bloemink, Marieke J.; Dorenbos, Jaco P.; Heetebrij, Rob J.; Reedijk, Jan","<i>N</i>^1^,<i>N</i>^1^-Dimethyl-3-oxopiperazinium(1+) trichloro(dimethyl sulfoxide-<i>S</i>)platinate(1‒), (C~6~H~13~N~2~O)[PtCl~3~(C~2~H~6~OS)]","Acta Crystallographica Section C","1994","50","10","1572","1574","10.1107/S0108270194005020","","","1.54184","CuKα","","","0.047","","","0.0498","","","","","3.57","3.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010078","7.384","0.001","32.637","0.004","8.86","0.001","90","","97.23","0.02","90","","2118.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ammonium cis-tetrachlorobispyridinemolybdate(III)-pyridine-water(1:1:0.5)","","- C15 H20 Cl4 Mo N4 O0.5 -","- C15 H20 Cl4 Mo N4 O0.5 -","- C60 H80 Cl16 Mo4 N16 O2 -","4","1","AB1190","Leban, Ivan; Modec, Barbara; Brenčič, Jurij V.","Ammonium <i>cis</i>-tetrachlorobispyridinemolybdate(III)‒pyridine‒water (1/1/0.5)","Acta Crystallographica Section C","1994","50","10","1546","1548","10.1107/S0108270194005640","","","0.7093","MoKα","","0.0835","0.058","","0.1369","0.126","","","","1.307","1.391","1.391","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2010079","10.157","0.004","10.277","0.006","17.551","0.006","92.81","0.04","93.07","0.03","118","0.05","1609.5","1.5","173","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N12 O12 S2 -","- C26 H32 N12 O12 S2 -","- C52 H64 N24 O24 S4 -","2","1","BK1002","Ojala, W. H.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.","Interactions between sulfonated azo dyes and biomolecules: orange G/adenine and orange G/cytosine salts","Acta Crystallographica Section C","1994","50","10","1615","1620","10.1107/S0108270194000338","","","1.54178","CuKα","","","0.055","","","0.075","","","","","2.68","2.68","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010080","8.908","0.002","11.632","0.004","13.697","0.002","90.17","0.03","90.74","0.02","110.96","0.02","1325.2","0.6","173","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N8 O10 S2 -","- C24 H24 N8 O10 S2 -","- C48 H48 N16 O20 S4 -","2","1","BK1002","Ojala, W. H.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.","Interactions between sulfonated azo dyes and biomolecules: orange G/adenine and orange G/cytosine salts","Acta Crystallographica Section C","1994","50","10","1615","1620","10.1107/S0108270194000338","","","1.54178","CuKα","","","0.034","","","0.048","","","","","2.02","2.02","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010081","33.057","0.007","11.842","0.003","19.777","0.004","90","","110.6","0.02","90","","7247","3","173","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","","","","","- C34 H24 -","- C34 H24 -","- C408 H288 -","12","1.5","BK1003","Ojala, W.H.; Gustafson, H.L.; Ojala, C.R.","A polymorph of 1,2,3,4-tetraphenylnaphthalene","Acta Crystallographica Section C","1994","50","10","1602","1604","10.1107/S010827019301371X","","","1.54178","CuKα","","","0.043","","","0.056","","","","","1.65","1.65","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010082","10.867","0.0011","13.797","0.0014","12.719","0.0013","90","","113.32","0.011","90","","1751.2","0.3","289","","287","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium salt of 9-(2,4,6-trinitroanilino)carbazole","","- C18 H10 K N5 O6 -","- C18 H10 K N5 O6 -","- C72 H40 K4 N20 O24 -","4","1","BK1014","Yang, Jian; Nelson, Barbara R.; Weil, John A.; Quail, J. Wilson","The potassium salt of 9-(2,4,6-trinitroanilino)carbazole","Acta Crystallographica Section C","1994","50","10","1548","1550","10.1107/S0108270194003045","","","0.7093","MoKα","","0.063","0.063","","0.047","0.047","","","","1","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010083","6.9689","0.0003","6.7658","0.0003","28.994","0.002","90","","90.172","0.005","90","","1367.07","0.13","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","cis-N,N'-dipyridiniomethane Dichlorotetrafluoroosmate(IV)","","- C11 H12 Cl2 F4 N2 Os -","- C11 H12 Cl2 F4 N2 Os -","- C44 H48 Cl8 F16 N8 Os4 -","4","1","BK1048","Bruhn, Clemens; Preetz, Wilhelm","Dipyridiniomethane <i>cis</i>-dichlorotetrafluoroosmate(IV)","Acta Crystallographica Section C","1994","50","10","1555","1557","10.1107/S010827019400627X","","","0.71069","MoKα","","0.0377","0.0294","","0.1687","0.0846","","","","1.186","1.159","1.159","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010084","11.342","0.003","13.165","0.003","9.993","0.002","90","","90","","90","","1492.1","0.6","291","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cl7 H12 N3 O Sb2 -","- Cl7 H12 N3 O Sb2 -","- Cl28 H48 N12 O4 Sb8 -","4","0.5","BR1061","Rogers, Robin D.; Jezl, Mary L.","Ammonium heptachlorooxodiantimonate(III), (NH~4~)~3~[Sb~2~Cl~7~O]","Acta Crystallographica Section C","1994","50","10","1527","1529","10.1107/S0108270194001927","","","0.71073","MoKα","","","0.041","","","0.05","","","","","1.18","1.18","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2010085","26.364","0.002","15.055","0.002","10.027","0.001","90","","90","","90","","3979.8","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tris(trimethylphenylammonium) hexaiodotricuprate(I)","","- C27 H42 Cu3 I6 N3 -","- C23.5 H42 Cu2.5 I4 N2.5 -","- C94 H168 Cu10 I16 N10 -","4","0.5","BR1076","Hu, Guozhi; Holt, Elizabeth M.","Tris(trimethylphenylammonium) hexaiodotricuprate(I)","Acta Crystallographica Section C","1994","50","10","1576","1578","10.1107/S0108270194004002","","","0.71073","MoKα","","0.0945","0.0426","","0.0578","0.0446","","","","","0.91","0.91","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010086","13.2207","0.0003","13.2207","0.0003","13.9464","0.0003","90","","90","","90","","2437.65","0.09","293","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Fe K O6 Si2 -","- Fe K O6 Si2 -","- Fe16 K16 O96 Si32 -","16","1","BR1077","Bell, A.M.T.; Henderson, C.M.B.","Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","1994","50","10","1531","1536","10.1107/S0108270194004014","","","1.80067","synchrotron","","","0.045","","","0.154","","","","","1.645","1.645","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010087","13.4586","0.0001","13.4586","0.0001","13.938","0.0001","90","","90","","90","","2524.64","0.03","293","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Fe O6 Rb Si2 -","- Fe O6 Rb Si2 -","- Fe16 O96 Rb16 Si32 -","16","1","BR1077","Bell, A.M.T.; Henderson, C.M.B.","Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","1994","50","10","1531","1536","10.1107/S0108270194004014","","","1.80067","synchrotron","","","0.089","","","0.174","","","","","2.898","2.898","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010088","13.8542","0.0001","13.8542","0.0001","13.8542","0.0001","90","","90","","90","","2659.16","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Cs Fe O6 Si2 -","- Cs Fe0.999 O6 Si2.001 -","- Cs16 Fe15.984 O96 Si32.016 -","16","0.166667","BR1077","Bell, A.M.T.; Henderson, C.M.B.","Rietveld refinement of the structures of dry-synthesized <i>M</i>Fe^III^Si~2~O~6~ leucites (<i>M</i> = K, Rb, Cs) by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","1994","50","10","1531","1536","10.1107/S0108270194004014","","","1.80067","synchrotron","","","0.106","","","0.173","","","","","1.171","1.171","","","","","has coordinates","205968","2020-10-21","18:00:00",""
"2010089","15.444","0.005","12.664","0.001","10.996","0.001","90","","99.61","0.02","90","","2120.4","0.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C22 H14 Cl N5 O4 S -","- C22 H14 Cl N5 O4 S -","- C88 H56 Cl4 N20 O16 S4 -","4","1","CR1075","Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S.","A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines","Acta Crystallographica Section C","1994","50","10","1608","1612","10.1107/S0108270193013058","","","1.5418","CuKα","","","0.044","","","0.052","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010090","6.755","0.001","7.614","0.001","21.537","0.002","89.25","0.01","88.82","0.01","78.95","0.01","1086.9","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N5 O4 S -","- C23 H17 N5 O4 S -","- C46 H34 N10 O8 S2 -","2","1","CR1075","Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S.","A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines","Acta Crystallographica Section C","1994","50","10","1608","1612","10.1107/S0108270193013058","","","1.5418","CuKα","","","0.043","","","0.054","","","","","1.513","1.513","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010091","14.046","0.003","33.013","0.007","8.425","0.002","90","","96.11","0.03","90","","3884.5","1.5","295","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bisaquotetra(sodium-15-crown-5)tetraiododicopper(I)hexaiodotetracopper(I)]","","- C40 H84 Cu6 I10 Na4 O22 -","- C40 H80 Cu6 I10 Na4 O22 -","- C80 H160 Cu12 I20 Na8 O44 -","2","0.5","CR1125","Hu, Guozhi; Holt, Elizabeth M.","Bis[aqua(15-crown-5)sodium] bis[(15-crown-5)sodium] hexaiodotetracopper(I) tetraiododicopper(I)","Acta Crystallographica Section C","1994","50","10","1578","1580","10.1107/S0108270194005354","","","0.71069","MoKα","","0.1839","0.069","","0.2272","0.1673","","","","0.907","1.197","1.197","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010092","15.96","","17.044","","12.447","","90","","90","","90","","3385.86","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H36 B N7 O3 V -","- C34 H33 B N8 O3 V -","- C136 H132 B4 N32 O12 V4 -","4","0.5","CR1133","Marsh, R.E.","On the structure of the mixed ligand complex of [VO]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1994","50","10","1596","1598","10.1107/S0108270194004154","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2010093","8.945","0.001","11.468","0.001","6.628","0.001","90","","102.54","0.01","90","","663.69","0.14","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[(η-cyclopentadienyl)nitrosylmolybdenum]","","- C10 H10 Cl2 Mo2 N2 O2 -","- C10 H10 Cl2 Mo2 N2 O2 -","- C20 H20 Cl4 Mo4 N4 O4 -","2","0.5","CR1145","Christensen, Nancy J.; Legzdins, Peter; Trotter, James; Yee, Vivien C.","Di-μ-chloro-bis[(η^5^-cyclopentadienyl)nitrosylmolybdenum]","Acta Crystallographica Section C","1994","50","10","1558","1559","10.1107/S0108270194005755","","","0.7093","MoKα~1~","","0.026","0.02","","0.031","0.031","","","","","1.33","1.33","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2010094","10.411","0.007","10.76","0.005","15.801","0.008","83.52","0.04","89.78","0.05","61.41","0.05","1541.8","1.7","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 F6 O19 S2 U -","- C14 H34 F6 O19 S2 U -","- C28 H68 F12 O38 S4 U2 -","2","1","DU1069","Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, J.-D.","Pentaaquadioxouranium(VI) triflate‒18-crown-6","Acta Crystallographica Section C","1994","50","10","1541","1544","10.1107/S0108270193013745","","","0.71073","MoKα","","","0.045","","","0.061","","","","","2.5","2.5","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2010095","8.2896","0.0008","8.2896","0.0008","23.53","0.004","90","","90","","120","","1400.3","0.3","295","2","","","","","","","","","","4","R -3 c","-R 3 2""c","","","","","- O12 P3 Rb Ti2 -","- O12 P3 Rb Ti2 -","- O72 P18 Rb6 Ti12 -","6","","DU1070","Duhlev, R.","RbTi~2~(PO~4~)~3~","Acta Crystallographica Section C","1994","50","10","1525","1527","10.1107/S0108270194000788","","","0.71073","MoKα","","","0.0277","","","0.0276","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010096","18.281","0.002","6.2932","0.0007","14.773","0.002","90","","90","","90","","1699.6","0.4","295","2","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- O20 P5 Rb3 Ti3 -","- O20 P5 Rb3 Ti3 -","- O80 P20 Rb12 Ti12 -","4","1","DU1071","Duhlev, R.","Rb~3~Ti~2~(TiO)(PO~4~)~3~P~2~O~7~: A new non-centrosymmetric titanyl phosphate","Acta Crystallographica Section C","1994","50","10","1523","1525","10.1107/S010827019400079X","","","0.71073","MoKα","","","0.0331","","","0.0344","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010097","10.281","0.002","13.844","0.003","17.064","0.005","90","","90","","90","","2428.7","1","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C H7 Al3 N O13 P3 -","- C H7 Al3 N O13 P3 -","- C8 H56 Al24 N8 O104 P24 -","8","1","DU1073","Chippindale, A.M.; Powell, A.V.; Jones, R.H.; Thomas, J.M.; Cheetham, A.K.; Huo, Q.; Xu, R.","A three-dimensional framework aluminophosphate (CH~3~NH~3~)^+^[Al~3~P~3~O~13~H]^{-^}","Acta Crystallographica Section C","1994","50","10","1537","1540","10.1107/S0108270194003537","","","0.71073","MoKα","","","0.0476","","","0.0456","","","","","1.38","1.38","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2010098","10.733","0.001","10.089","0.001","11.479","0.002","90","","91.09","0.01","90","","1242.8","0.3","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 Cl2 Hg2 N O2 -","- C7 H9 Cl2 Hg2 N O2 -","- C28 H36 Cl8 Hg8 N4 O8 -","4","1","DU1077","Bonhomme, C.; Toledano, P.; Livage, J.","A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN","Acta Crystallographica Section C","1994","50","10","1590","1592","10.1107/S010827019400332X","","","0.71069","MoKᾱ","","","0.0279","","","0.0331","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010099","10.867","0.001","10.867","0.001","17.554","0.002","90","","90","","120","","1795.3","0.3","293","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al41.24 Cr5.76 Yb6 -","- Al43 Cr4 Yb6 -","- Al86 Cr8 Yb12 -","2","0.0833333","DU1079","Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Zarechnyuk, O.S.; Gladyshevskii, R.E.; Cerny, R.; Yvon, K.","Hexagonal Yb~6~Cr~4+<i>x~</i>Al~43{-~<i>x</i>} (<i>x</i> = 1.76) with a new structure type","Acta Crystallographica Section C","1994","50","10","1529","1531","10.1107/S010827019400377X","","","0.71073","MoKα","","","0.053","","","0.036","","","","","1.91","1.91","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010100","13.453","0.0009","13.453","0.0009","14.3945","0.0008","90","","90","","90","","2605.2","0.3","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","bis(tetraethylammonium) tetrabromocadmate","bis(tetraethylammonium) tetrabromocadmate","","- C16 H40 Br4 Cd N2 -","- C18 H30 Br4 Cd N2 -","- C72 H120 Br16 Cd4 N8 -","4","0.5","DU1087","Geselle, M.; Fuess, H.","Bis(tetraethylammonium) tetrabromocadmate","Acta Crystallographica Section C","1994","50","10","1582","1585","10.1107/S0108270194005366","","","0.71069","Mo_Kα","","0.139","0.058","","0.097","0.079","","","","1.826","1.847","1.847","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010101","20.614","0.009","9.349","0.002","20.888","0.012","90","","113.53","0.07","90","","3691","3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C19 H28 Cl N O -","- C19 H29 Cl N O1.5 -","- C152 H232 Cl8 N8 O12 -","8","2","GR1007","Majeste, R.J.; Poindexter, D.; Jones, L.; Klein, C.L.","2'-Hydroxy-5,9-dimethyl-2-(3-methyl-2-butenyl)-6,7-benzomorphan (pentazocine) hydrochloride hydrate","Acta Crystallographica Section C","1994","50","10","1633","1636","10.1107/S0108270193011291","","","0.7093","MoKα","","","0.054","","","0.059","","","","","1.71","1.71","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2010102","8.124","0.002","8.393","0.002","10.122","0.002","78.03","0.01","78.74","0.02","64.05","0.02","602.8","0.3","294","","","","","","","","","","","6","P -1","-P 1","2","","nitrilotriacetamide : mercury (II) chloride","","- C6 H12 Cl2 Hg N4 O3 -","- C6 H12 Cl2 Hg N4 O3 -","- C12 H24 Cl4 Hg2 N8 O6 -","2","1","HA1073","Skrzypczak-Jankun, Ewa; Smith, Douglas A.","Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide","Acta Crystallographica Section C","1994","50","10","1585","1588","10.1107/S0108270193014520","","","0.71073","MoKα","","","0.034","","","0.042","","","","","1.5","1.5","","","","","has coordinates","191061","2020-10-21","18:00:00",""
"2010103","8.135","0.002","8.558","0.003","10.337","0.003","78.94","0.03","78.81","0.02","64.92","0.02","634.5","0.3","294","","","","","","","","","","","6","P -1","-P 1","2","","nitrilotriacetamide : mercury (II) bromide","","- C6 H12 Br2 Hg N4 O3 -","- C6 H12 Br2 Hg N4 O3 -","- C12 H24 Br4 Hg2 N8 O6 -","2","1","HA1073","Skrzypczak-Jankun, Ewa; Smith, Douglas A.","Complexes of HgCl~2~ and HgBr~2~ with nitrilotriacetamide","Acta Crystallographica Section C","1994","50","10","1585","1588","10.1107/S0108270193014520","","","0.71073","MoKα","","","0.045","","","0.06","","","","","2.24","2.24","","","","","has coordinates","191061","2020-10-21","18:00:00",""
"2010104","6.432","0.001","14.237","0.002","23.034","0.002","90","","90","","90","","2109.3","0.5","291","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C22 H33 N O4 -","- C22 H33 N O4 -","- C88 H132 N4 O16 -","4","1","KA1019","Ngoan Dao, C.; Luger, P.; Ky, P.T.; Kim, V.N.; Dung, N.X.","Tuberostemonine L-G","Acta Crystallographica Section C","1994","50","10","1612","1615","10.1107/S010827019301251X","","","1.54092","CuKα","","","0.038","","","0.032","","","","","5.11","5.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010105","13.875","0.004","11.701","0.003","8.289","0.002","73.85","0.02","83.6","0.02","76.86","0.03","1257.1","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C58 H54 N2 O8 S2 -","2","1","KA1061","Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X.","Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid","Acta Crystallographica Section C","1994","50","10","1604","1608","10.1107/S0108270194002829","","","0.71069","MoKα","","","0.061","","","0.057","","","","","1.32","1.32","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010106","13.801","0.003","12.307","0.003","6.417","0.002","76.74","0.02","82.18","0.02","72.84","0.03","1010.9","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C44 H42 N2 O8 S2 -","2","1","KA1061","Urtiaga, M.K.; Arriortua, M.I.; Badía, D.; Domínguez, E.; González Cameno, A.M.; Solans, X.","Benzyl 2-[<i>N</i>-benzyl-<i>N</i>-(<i>p</i>-toluenesulfonyl)amino]-2-phenylacetate and its α-amino acid","Acta Crystallographica Section C","1994","50","10","1604","1608","10.1107/S0108270194002829","","","0.71069","MoKα","","","0.051","","","0.053","","","","","1.17","1.17","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010107","14.174","0.003","12.132","0.002","3.828","0.001","90","","90","","90","","658.3","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","γ-resorcylic acid","2,6-Dihydroxybenzoic Acid","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","KA1067","Gdaniec, M.; Gilski, M.; Denisov, G.S.","γ-Resorcylic acid, its monohydrate and its pyridinium complex","Acta Crystallographica Section C","1994","50","10","1622","1626","10.1107/S0108270194000557","","","1.54178","CuKα","","0.0351","0.0326","","0.0915","0.0901","","","","1.157","1.189","1.189","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010108","6.778","0.001","9.411","0.001","11.89","0.002","90","","90","","90","","758.44","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","γ-resorcylic acid hydrate","2,6-Dihydroxybenzoic Acid Hydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","0.5","KA1067","Gdaniec, M.; Gilski, M.; Denisov, G.S.","γ-Resorcylic acid, its monohydrate and its pyridinium complex","Acta Crystallographica Section C","1994","50","10","1622","1626","10.1107/S0108270194000557","","","1.54178","CuKα","","0.0704","0.0652","","0.1558","0.1544","","","","1.164","1.235","1.235","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010109","8.206","0.002","10.182","0.002","13.313","0.003","90","","100.94","0.03","90","","1092.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridinium 2,6-Dihydroxybenzoate","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","KA1067","Gdaniec, M.; Gilski, M.; Denisov, G.S.","γ-Resorcylic acid, its monohydrate and its pyridinium complex","Acta Crystallographica Section C","1994","50","10","1622","1626","10.1107/S0108270194000557","","","1.54178","CuKα","","0.0706","0.0412","","0.1148","0.1047","","","","1.064","1.193","1.193","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010110","12.218","0.002","12.218","0.002","12.218","0.002","86.01","0.01","86.01","0.01","86.01","0.01","1811.2","0.5","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","","Bis[tris(2,2'-bipyridine)nickel(II)] tris(dicyanoargentate(I) chloride nonahydrate","","- C66 H66 Ag3 Cl N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","- C66 H48 Ag3 Cl0.96 N18 Ni2 O9 -","1","0.166667","KA1082","Černák, Juraj; Kaňuchová, Mária; Chomič, Jozef; Potočňák, Ivan; Kameníček, Jiří; Žák, Zdirad","Bis[tris(bipyridine)nickel(II)] tris[dicyanoargentate(I)] chloride <i>n</i>-hydrate (<i>n</i> = 9)","Acta Crystallographica Section C","1994","50","10","1563","1566","10.1107/S0108270194005500","","","0.71069","MoKα","","0.1168","0.0383","","0.1318","0.1121","","","","0.943","1.164","1.164","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010111","9.68","0.001","13.552","0.002","17.794","0.003","90","","100.36","0.01","90","","2296.2","0.6","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C28 H24 Fe Sn -","- C28 H24 Fe Sn -","- C112 H96 Fe4 Sn4 -","4","1","LI1082","Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G.","Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene","Acta Crystallographica Section C","1994","50","10","1551","1555","10.1107/S0108270194002490","","","0.7107","MoKα","","","0.0241","","","0.0244","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010112","10.86","0.002","11.497","0.003","15.868","0.003","85.86","0.02","81.56","0.02","84.59","0.02","1947.6","0.7","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Fe Sn2 -","- C46 H38 Fe Sn2 -","- C92 H76 Fe2 Sn4 -","2","1","LI1082","Yamin, B.M.; Fun, H.-K.; Yip, B.-C.; Shawkataly, O.B.; Teoh, S.-G.","Triphenylstannylferrocene and 1,1'-bis(triphenylstannyl)ferrocene","Acta Crystallographica Section C","1994","50","10","1551","1555","10.1107/S0108270194002490","","","0.7107","MoKα","","","0.0289","","","0.0273","","","","","1.05","1.05","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010113","9.078","0.002","7.518","0.005","9.78","0.002","90","","112.71","0.01","90","","615.7","0.5","290","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 Cl N6 O2 -","- C9 H11 Cl N6 O2 -","- C18 H22 Cl2 N12 O4 -","2","1","LI1090","Lowe, P.R.; Schwalbe, C.H.","DCMCIT, an analogue of the antitumour drugs mitozolomide and temozolomide","Acta Crystallographica Section C","1994","50","10","1629","1631","10.1107/S0108270194002507","","","0.71069","MoKα","","","0.0345","","","0.0405","","","","","0.8","0.8","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010114","19.749","0.003","3.9355","0.0005","15.649","0.002","90","","101.66","0.01","90","","1191.2","0.3","150","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C48 H64 O16 -","8","1","LI1092","Cox, P.J.","Sorbic acid","Acta Crystallographica Section C","1994","50","10","1620","1622","10.1107/S0108270194002891","","","0.71069","MoKα","","","","","","0.096","","","","","0.508","0.508","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010115","10.052","0.005","17.349","0.008","8.518","0.005","90","","109.5","0.1","90","","1400.3","1.5","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Cl N O2 Ru -","- C12 H18 Cl N O2 Ru -","- C48 H72 Cl4 N4 O8 Ru4 -","4","2","MU1096","Carter, L.C.; Davies, D.L.; Duffy, K.T.; Fawcett, J.; Russell, D.R.","[(η^6^-C~6~H~3~Me~3~)Ru(<small>L</small>-Ala)Cl]","Acta Crystallographica Section C","1994","50","10","1559","1561","10.1107/S0108270194006220","","","0.71073","MoKα","","","0.0492","","","0.0522","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010116","13.113","0.001","5.351","0.002","18.757","0.002","90","","109.54","0.01","90","","1240.3","0.5","298","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H26 Co N4 O16 -","- C18 H26 Co N4 O16 -","- C36 H52 Co2 N8 O32 -","2","0.5","MU1099","Saladini, Monica","<i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate","Acta Crystallographica Section C","1994","50","10","1561","1563","10.1107/S0108270194001769","","","0.71069","MoKα","","","0.04","","","0.041","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2010117","6.39","0.003","7.521","0.004","13.842","0.004","94.37","0.05","99.82","0.03","112.22","0.05","599.5","0.5","296","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cr2 Hg O10 -","- C22 H18 Cr2 Hg O10 -","- C22 H18 Cr2 Hg O10 -","1","0.5","MU1112","Song, L.-C.; Hu, Q.-M.; Wang, R.-J.; Wang, H.-G.","Bis[(tricarbonyl)(η^5^-ethoxycarbonylcyclopentadienyl)chromio]mercury","Acta Crystallographica Section C","1994","50","10","1592","1594","10.1107/S0108270194005597","","","0.71073","MoKα","","","0.08","","","0.088","","","","","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010118","8.369","0.008","8.899","0.007","9.501","0.012","96.4","0.08","114.53","0.09","115.5","0.06","543.5","1.3","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-fluoro-bis[bis(N,N-dimethylformamide)trifluorozirconium(IV)]","","- C12 H28 F8 N4 O4 Zr2 -","- C12 H28 F8 N4 O4 Zr2 -","- C12 H28 F8 N4 O4 Zr2 -","1","0.5","MU1124","Errington, William; Ismail, Matthew A.","Di-μ-fluoro-bis[bis(<i>N</i>,<i>N</i>-dimethylformamide)trifluorozirconium(IV)]","Acta Crystallographica Section C","1994","50","10","1540","1541","10.1107/S0108270194005974","","","0.71073","MoKα","","0.0408","0.0382","","0.1163","0.1115","","","","1.048","1.064","1.064","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2010119","12.596","0.004","4.831","0.002","16.153","0.006","90","","96.57","0.05","90","","976.5","0.6","300","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H8 Br O3 -","- C40 H32 Br4 O12 -","4","1","PA1083","Benmenni, L.; Eydoux, F.; Reglier, M.","<i>trans</i>-2-Bromo-5,6-methylenedioxy-1-indanol","Acta Crystallographica Section C","1994","50","10","1636","1638","10.1107/S0108270194001666","","","0.71069","MoKα","","","0.076","","","0.087","","","","","2.96","2.96","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010120","7.709","0.003","7.333","0.002","10.819","0.004","98.28","0.02","119.64","0.02","113.26","0.02","442.1","0.3","292","","","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Cl4 N4 O Pt S2 -","- C6 H20 Cl4 N4 O2 Pt S2 -","- C6 H20 Cl4 N4 O2 Pt S2 -","1","0.5","PA1087","Nguyen-Huy Dung; Rodier, N.; Viossat, B.; Lancelot, J.C.","Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(butane-1,4-diyle)bis(thiouronium) monohydrate","Acta Crystallographica Section C","1994","50","10","1574","1576","10.1107/S010827019400168X","","","0.7107","MoKᾱ","","","0.031","","","0.039","","","","","1.54","1.54","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010121","18.752","0.003","18.37","0.003","8.471","0.002","90","","90","","90","","2918","1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O9 -","- C32 H46 O9 -","- C128 H184 O36 -","4","1","SE1032","Cuny, E.; Lichtenthaler, F.W.; Lindner, H.J.","Molecular geometry of a pyran‒dioxane‒cyclohexane tricycle with linear <i>cis</i>‒<i>trans</i>-fusion of rings","Acta Crystallographica Section C","1994","50","10","1599","1601","10.1107/S0108270193011485","","","1.54178","CuKα","","","0.0495","","","0.1481","","","","","1.076","1.076","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010122","8.083","0.002","15.01","0.007","16.833","0.005","90","","97.14","0.02","90","","2026.4","1.2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa(1-Methyl-1,3-Diaza-2,4-Cyclopentadien)-nickel(II)-bis(triiodid)","","- C24 H36 I6 N12 Ni -","- C24 H36 I6 N12 Ni -","- C48 H72 I12 N24 Ni2 -","2","0.5","SE1042","Tebbe, Karl-Friedrich; Nafepour, Shida","Hexakis(<i>N</i>-methylimidazol)-nickel(II)-bis(triiodid), [Ni(C~4~H~6~N~2~)~6~](I~3~)~2~","Acta Crystallographica Section C","1994","50","10","1566","1569","10.1107/S0108270194000867","","","0.71069","MoKα","","0.0877","0.048","","0.0567","0.0475","","","","1.5819","1.655","1.655","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2010123","9.056","0.001","25.475","0.006","7.309","0.001","90","","91.79","0.01","90","","1685.4","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis((μ^2^-Chloro)-(ν^4^-cis,cis-1,5-cyclo-octadiene)-Rhodium(I))","","- C16 H24 Cl2 Rh2 -","- C16 H24 Cl2 M4 Rh2 -","- C64 H96 Cl8 M16 Rh8 -","4","1","SH1088","De Ridder, Dirk J.A.; Imhoff, Pieter","Di-μ-chloro-bis[(<i>cis</i>,<i>cis</i>-η^4^-1,5-cyclooctadiene)rhodium(I)]: a redetermination","Acta Crystallographica Section C","1994","50","10","1569","1572","10.1107/S0108270194001459","","","0.71069","MoKα","","0.075","0.038","","0.091","0.063","","","","1.239","1.057","1.057","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010124","13.564","0.001","16.812","0.002","22.887","0.002","90","","106.25","0.01","90","","5010.6","0.9","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetraisopropyl (bromo)(chloro)(methyl)stannylmethylmethanediphosphonate","","- C15 H34 Br Cl O6 P2 Sn -","- C15 H34 Br Cl O6 P2 Sn -","- C120 H272 Br8 Cl8 O48 P16 Sn8 -","8","1","SH1099","Freitag, Stefanie; Herbst-Irmer, Regine; Richter, Frank U.; Weichmann, Horst","Tetraisopropyl 2-[(bromo)(chloro)(methyl)stannyl]-1,1-ethanediphosphonate at 153 K","Acta Crystallographica Section C","1994","50","10","1588","1590","10.1107/S0108270194004105","","","0.71073","MoKα","","0.0435","0.032","","0.0804","0.0705","","","","1.097","1.077","1.077","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010125","8.053","0.003","13.955","0.002","14.843","0.006","90","","97.12","0.02","90","","1655.2","0.9","290","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F6 Fe N O2 P -","- C16 H12 F6 Fe N O2 P -","- C64 H48 F24 Fe4 N4 O8 P4 -","4","1","ST1084","Piórko, A.; Christie, S.; Zaworotko, M.J.","[(5a,6,7,8,9,9a-η^6^)-[1,4]Benzodioxino[2,3-<i>b</i>]pyridine](η^5^-cyclopentadienyl)iron(II) hexafluorophosphate","Acta Crystallographica Section C","1994","50","10","1544","1545","10.1107/S0108270194003288","","","0.7093","MoKα","","","0.051","","","0.046","","","","","2.42","2.42","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010126","12.47","0.001","5.659","0.0006","17.7","0.002","90","","91.43","0.09","90","","1248.7","0.2","287","1","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C10 H13 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","ST1088","Li, J.; Kumar, S.V.P.; Stuart, A.L.; Tourigny, G.; Delbaere, L.T.J.; Gupta, S.V.","3'-Azido-2',3'-dideoxy-5-hydroxymethyluridine","Acta Crystallographica Section C","1994","50","10","1626","1629","10.1107/S0108270194001460","","","1.5418","CuKα","","","0.044","","","0.06","","","","","4.285","4.285","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010127","7.5238","0.0008","22.525","0.004","10.628","0.001","90","","95.594","0.009","90","","1792.6","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C15 H11 Au I2 S2 -","- C15 H10 Au I2 S2 -","- C60 H40 Au4 I8 S8 -","4","1","ST1091","Staples, R.J.; Wang, S.; Fackler, J.P.Jr","3,5-Diphenyl-1,2-dithiolium diiodoauride(I)","Acta Crystallographica Section C","1994","50","10","1580","1582","10.1107/S0108270194000582","","","0.71073","MoKα","","","0.0307","","","0.0336","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010128","21.1","0.007","12.922","0.003","10.067","0.003","90","","105.79","0.03","90","","2641.2","1.4","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- H16 K2 Mo6 O29 Pt -","- K3 Mo6 O29 Pt -","- K12 Mo24 O116 Pt4 -","4","0.5","AB1113","Lee, U.","Dipotassium hexahydrogen-α-hexamolybdoplatinate(IV) pentahydrate, K~2~[H~6~α-PtMo~6~O~24~].5H~2~O","Acta Crystallographica Section C","1994","50","11","1657","1659","10.1107/S0108270194001484","","","0.71069","MoKα","","","0.055","","","0.055","","","","","3.26","3.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010129","8.524","0.001","16.607","0.002","16.209","0.001","90","","99.66","0.01","90","","2262","0.4","290","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H66 Cl4 N18 P6 Pt -","- C22 H54 Cl4 N18 P6 Pt -","- C44 H108 Cl8 N36 P12 Pt2 -","2","0.5","AB1134","Chandrasekaran, A.","A salt of a protonated (amino)spirocyclic cyclotriphosphazene","Acta Crystallographica Section C","1994","50","11","1692","1694","10.1107/S0108270194003859","","","0.71069","MoKα","","","0.038","","","0.0483","","","","","1.578","1.578","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010130","11.623","0.003","7.432","0.002","21.197","0.005","90","","102.86","0.02","90","","1785.1","0.8","105","2","105","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Ethoxycarbonylcholine Picrate Hemihydrate","Ethoxycarbonylcholine Picrate Hemihydrate","","- C14 H21 N4 O10.5 -","- C14 H21 N4 O10.5 -","- C56 H84 N16 O42 -","4","1","AB1157","Frydenvang, Karla; Trickey, Peter; Jensen, Birthe","Ethoxycarbonylcholine picrate hemihydrate","Acta Crystallographica Section C","1994","50","11","1839","1841","10.1107/S0108270194002921","","","0.71073","MoKα","","0.0672","0.0458","","0.1287","0.1073","","","","1.116","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010131","10.016","0.007","10.734","0.01","11.348","0.009","102.52","0.07","104.16","0.06","112.1","0.06","1029.3","1.7","170","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 Pb -","- C25 H22 Pb -","- C50 H44 Pb2 -","2","1","AB1158","Fahrenkampf, U.; Schürmann, M.; Huber, F.","Benzyltriphenyllead and dibenzyldiphenyllead","Acta Crystallographica Section C","1994","50","11","1707","1710","10.1107/S0108270194005032","","","0.71073","MoKα","","","0.0368","","","0.0901","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010132","13.452","0.012","10.974","0.008","14.487","0.01","90","","96.39","0.06","90","","2125","3","170","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Pb -","- C26 H24 Pb -","- C104 H96 Pb4 -","4","1","AB1158","Fahrenkampf, U.; Schürmann, M.; Huber, F.","Benzyltriphenyllead and dibenzyldiphenyllead","Acta Crystallographica Section C","1994","50","11","1707","1710","10.1107/S0108270194005032","","","0.71073","MoKα","","","0.0399","","","0.0962","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010133","12.923","0.002","7.5697","0.0011","13.743","0.002","90","","113.749","0.012","90","","1230.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl-(1',2',3',4'-tetraacetoxy)- butane-2-oxide","","- C23 H29 N O11 -","- C23 H30 N O11 -","- C46 H60 N2 O22 -","2","1","AB1162","Czarnocki, Zbigniew; Maurin, Jan K.; Winnicka-Maurin, Małgorzata","Enantioselective synthesis of isoquinoline alkaloids from simple sugar. II. Structure of 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1,2,3,4-butanetetrayl tetraacetate <i>N</i>-oxide","Acta Crystallographica Section C","1994","50","11","1779","1781","10.1107/S0108270194003094","","","1.5418","CuKα","","0.0538","0.0515","","0.1471","0.1439","","","","1.03","1.043","1.043","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010134","12.226","0.003","16.873","0.003","18.401","0.004","90","","90","","90","","3795.9","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eq-tert-butylnitrile-1κN-nonacarbonyl-1κ^4^C,2κ^5^C-manganeserhenium(Mn-Re)","","- C14 H9 Mn N O9 Re -","- C14 Mn N O9 Re -","- C112 Mn8 N8 O72 Re8 -","8","1","AB1171","Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen","Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands","Acta Crystallographica Section C","1994","50","11","1671","1673","10.1107/S0108270194003318","","","0.71073","MoKα","","0.0883","0.0505","","0.1492","0.1223","","","","1.037","1.071","1.071","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010135","7.781","0.003","26.726","0.009","12.781","0.008","90","","103.71","0.04","90","","2582","2","170","1","170","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lead(IV) acetate","","- C8 H12 O8 Pb -","- C8 H12 O8 Pb -","- C64 H96 O64 Pb8 -","8","2","AB1189","Markus Schürmann; Friedo Huber","A redetermination of lead(IV) acetate","Acta Crystallographica Section C","1994","50","11","1710","1713","10.1107/S0108270194006438","","","0.71073","MoKα","","0.0893","0.0585","","0.1786","0.1542","","","","0.94","1.077","1.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010136","5.8899","0.0006","11.7768","0.0012","15.2335","0.0016","72.611","0.009","88.277","0.012","82.632","0.012","1000","0.19","293","","293","","","","","","","","","4","P -1","-P 1","2","4,4-Dimethyl-3-oxo-2-pivaloylpentylferrocene","","","- C22 H30 Fe O2 -","- C22 H30 Fe O2 -","- C44 H60 Fe2 O4 -","2","1","AB1202","Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","4-(Ferrocenylmethyl)-2,2,6,6-tetramethyl-3,5-heptanedione, a non-enolized 1,3-diketone","Acta Crystallographica Section C","1994","50","11","1673","1676","10.1107/S0108270194008486","","","0.71067","MoKα","","0.0397","0.03","","0.0837","0.0805","","","","1.057","1.113","1.113","","","","","has coordinates,has disorder","192290","2020-10-21","18:00:00",""
"2010137","12.307","0.002","8.305","","12.516","0.002","90","","108.29","0.05","90","","1214.6","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C48 H60 N4 O8 S4 -","4","1","AL0566","Gibon, V.; Evrard, G.; Vercauteren, D.P.; Durant, F.","Molecular structure and electronic properties of a 1-sulfonylindolizine derivative, 2-isopropyl-1-methylsulfonylindolizine","Acta Crystallographica Section C","1994","50","11","1749","1753","10.1107/S0108270194000776","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010138","8.217","0.003","8.477","0.005","12.045","0.003","99.16","0.03","104.23","0.02","95.41","0.05","795","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","6-bromo-1,4-dihydro-1,4-di(o-tolyl)-1,2,4,5-tetrazin-3(2H)one","","- C16 H15 Br N4 O -","- C16 H15 Br N4 O -","- C32 H30 Br2 N8 O2 -","2","1","AL1011","Ueng, C.-H.; Wang, Y.; Yeh, M.-Y.","Two heterocyclic 1,2,4,5-tetrazines","Acta Crystallographica Section C","1994","50","11","1781","1784","10.1107/S0108270194002192","","","0.7107","MoKα","","","0.044","","","0.026","","","","","1.77","1.77","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010139","18.975","0.003","10.327","0.002","8.569","0.003","90","","90","","90","","1679.1","0.7","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","","","3,6-dibromo-1,4-dihydro-1,4-di(p-methoxyphenyl)-1,2,4,5-tetrazine","","- C16 H14 Br2 N4 O2 -","- C16 H14 Br2 N4 O2 -","- C64 H56 Br8 N16 O8 -","4","0.5","AL1011","Ueng, C.-H.; Wang, Y.; Yeh, M.-Y.","Two heterocyclic 1,2,4,5-tetrazines","Acta Crystallographica Section C","1994","50","11","1781","1784","10.1107/S0108270194002192","","","0.7107","MoKα","","","0.037","","","0.028","","","","","2.28","2.28","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010140","10.831","0.001","9.723","0.002","16.087","0.002","90","","104.07","0.01","90","","1643.3","0.4","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C68 H68 N12 O16 -","4","1","AL1059","Joshi, K.C.; Bohra, R.; Jain, R.; Arora, S.","Structure of the (2-acetamidobenzoyl)formate anion as the benzamidinium salt","Acta Crystallographica Section C","1994","50","11","1792","1794","10.1107/S0108270193014179","","","0.71069","MoKα","","","0.062","","","0.06","","","","","0.68","0.68","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010141","12.456","0.008","6.279","0.002","14.409","0.003","90","","92.19","0.03","90","","1126.1","0.8","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","AL1074","Thiruvalluvar, A.; Parthasarathi, V.; Nagarajan, A.; Pillay, M.K.","5-Phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene","Acta Crystallographica Section C","1994","50","11","1812","1814","10.1107/S0108270194001125","","","0.71069","MoKα","","","0.076","","","0.073","","","","","2.49","2.49","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010142","18.978","0.007","10.921","0.005","19.62","0.011","90","","105.02","0.04","90","","3927","3","148","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","","","","","- C26 H21 O P -","- C26 H21 O P -","- C208 H168 O8 P8 -","8","2","AL1075","Kalyanasundari, M.; Panchanatheswaran, K.; Parthasarathi, V.; Robinson, W.T.; Wen, H.","Benzoylmethylenetriphenylphosphorane, C~26~H~21~OP","Acta Crystallographica Section C","1994","50","11","1738","1741","10.1107/S0108270194001137","","","0.71069","MoKα","","","0.0625","","","0.0476","","","","","1.5726","1.5726","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010143","9.6339","0.0004","8.7413","0.0002","5.296","0.0003","90","","106.905","0.002","90","","426.72","0.03","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Na O6 Si2 V -","- Na O6 Si2 V -","- Na4 O24 Si8 V4 -","4","0.5","AS1073","Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira","NaVSi~2~O~6~","Acta Crystallographica Section C","1994","50","11","1652","1655","10.1107/S0108270194004567","","","0.71073","MoKα","","","0.017","","","0.022","","","","","0.8","0.8","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010144","44.04","0.01","14.27","0.005","5.891","0.004","90","","90","","90","","3702","3","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C176 H120 Br16 N8 O8 -","8","1","AS1086","Li, Z.; Su, G.; Huang, X.","1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one","Acta Crystallographica Section C","1994","50","11","1788","1790","10.1107/S0108270194001186","","","0.71069","MoKα","","","0.064","","","0.072","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010145","10.049","0.002","4.679","0.001","14.429","0.001","90","","107.28","0.03","90","","647.8","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 I O6 -","- C12 H15 I O6 -","- C24 H30 I2 O12 -","2","1","AS1093","Banerjee, R.; Das, K.; Ganesh, V.; Banerjee, P.; Surolia, A.; Vijayan, M.","1-<i>O</i>-(2-Iodophenyl)-β-<small>D</small>-galactopyranose","Acta Crystallographica Section C","1994","50","11","1726","1728","10.1107/S0108270194001836","","","0.7107","MoKα","","","0.031","","","0.035","","","","","0.715","0.715","","","","","has coordinates","205897","2020-10-21","18:00:00",""
"2010146","9.178","0.001","11.722","0.002","16.1","0.005","90","","90.96","0.02","90","","1731.9","0.6","298","3","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl3 Co N4 -","- C12 H32 Cl3 Co N4 -","- C48 H128 Cl12 Co4 N16 -","4","0.5","AS1107","Tahirov, T.H.; Lu, T.-H.; Chen, B-H.; Chi, T.-Y.; Chung, C.-S.","<i>cis</i>-Dichloro(<i>C</i>-<i>rac</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride, [CoCl~2~(C~12~H~28~N~4~)]Cl","Acta Crystallographica Section C","1994","50","11","1686","1687","10.1107/S0108270194004610","","","0.71073","MoKα","","","0.045","","","0.049","","","","","1.78","1.78","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010147","3.94","0.0002","8.9766","0.0004","13.0269","0.0008","90","","93.578","0.004","90","","459.83","0.04","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pseudothiohydantoin","2-Aminothiazol-4-one","","- C3 H4 N2 O S -","- C3 H4 N2 O S -","- C12 H16 N8 O4 S4 -","4","1","AS1121","Steel, Peter J.; Guard, James A. M.","Heterocyclic tautomerism. VI. A redetermination and reassignment of the structure of 2-aminothiazol-4(5<i>H</i>)-one (pseudothiohydantoin)","Acta Crystallographica Section C","1994","50","11","1721","1723","10.1107/S0108270194004750","","","0.71073","MoKα","","0.0221","0.0209","","0.0549","0.0543","","","","1.132","1.159","1.159","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010148","15.818","0.002","30.39","0.001","10.5707","0.0009","90","","90","","90","","5081.4","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","endo-(5R,6R,11S,12S)-5,6,11,12-tetrahydro-6-hydroxy-4,11,12-trimethoxy- 9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7H)- benzocyclodecenone","","- C24 H36 O6 Si -","- C24 H36 O6 Si -","- C192 H288 O48 Si8 -","8","2","AS1124","Takenaka, Yasuyuki; Kubo, Sachiyo; Ohashi, Yuji; Nakamura, Takashi; Waizumi, Nobuaki; Horiguchi, Yoshiaki; Kuwajima, Isao","<i>endo</i>-(5<i>R</i>,6<i>R</i>,11<i>S</i>,12<i>S</i>)-5,6,11,12-Tetrahydro-6-hydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7<i>H</i>)-benzocyclodecenone","Acta Crystallographica Section C","1994","50","11","1820","1821","10.1107/S0108270194007055","","","1.5418","CuKα","","0.0958","0.058","","0.1726","0.147","","","","1.054","1.131","1.131","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010149","10.104","0.002","13.479","0.003","13.835","0.003","92.679","0.01","108.491","0.01","101.262","0.01","1740.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","(Ozaphyrin)(TCNQ)~1/2~","","","- C84 H84 N12 O2 -","- C84 H84 N12 O2 -","- C84 H84 N12 O2 -","1","0.5","BK1024","Miller, Douglas C.; Ibers, James A.","(Ozaphyrin)(TCNQ)~1/2~","Acta Crystallographica Section C","1994","50","11","1834","1837","10.1107/S0108270194002866","","","1.54056","CuKα","","0.082","0.0487","","0.122","0.111","","","","1.48","1.64","1.64","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2010150","12.377","0.001","16.977","0.002","21.583","0.002","90","","90.401","0.008","90","","4535","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Cu N5 O4 P2 -","- C53 H40 Cu N5 O4 P2 -","- C212 H160 Cu4 N20 O16 P8 -","4","1","BK1053","Brooks, Kregg T.; Finnen, Daniel C.; Kirchhoff, Jon R.; Pinkerton, A. Alan","[2,3-Di(2-pyridyl)pyrazine-<i>N</i>^1^,<i>N</i>^2^']bis(triphenylphosphine)copper(I) nitrate ethanol solvate","Acta Crystallographica Section C","1994","50","11","1696","1699","10.1107/S0108270194007080","","","0.71073","MoKα","","0.067","0.042","","","0.053","","","","","1.588","1.588","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010151","8.702","0.001","9.889","0.001","23.968","0.003","90","","90","","90","","2062.5","0.4","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Cadmium Iron Diphosphate","","- Cd2.06 Fe1.44 O14 P4 -","- Cd2.5 Fe O14 P4 -","- Cd20 Fe8 O112 P32 -","8","1","BR1058","ElBelghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M.","Cadmium iron(III) iron(II) diphosphate","Acta Crystallographica Section C","1994","50","11","1648","1650","10.1107/S0108270194006967","","","0.71073","MoKα","","","0.0489","","","0.0525","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010152","19.863","0.002","8.644","0.002","9.417","0.002","90","","90","","90","","1616.9","0.5","296","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","BR1059","Ala, P.; Yang, D.S.C.","5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","Acta Crystallographica Section C","1994","50","11","1832","1834","10.1107/S0108270194000016","","","1.54178","CuKα","","","0.04","","","0.047","","","","","1.43","1.43","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010153","20.093","0.004","4.897","0.002","13.808","0.002","90","","124.06","0.01","90","","1125.6","0.6","296","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C46 H56 N4 O10 -","2","0.5","BR1060","Ala, P.; Asante-Appiah, E.; Chan, W. W.; Yang, D. S. C.","<i>N</i>,<i>N</i>'-Carbonylbis(<small>L</small>-phenylalanine ethyl ester)","Acta Crystallographica Section C","1994","50","11","1830","1832","10.1107/S0108270194000028","","","1.54178","CuKα","","","0.039","","","0.049","","","","","1.68","1.68","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010154","7.745","0.005","9.048","0.003","9.547","0.002","109.2","0.02","98.51","0.04","94.51","0.04","619","0.5","273","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Cl6 N8 O6 Ru -","- C12 H27 Cl6 N8 O6 Ru -","- C12 H27 Cl6 N8 O6 Ru -","1","0.5","BR1065","Leduc, M.; Beauchamp, A.L.","Bis(9-methylhypoxanthinium) oxonium hexachlororuthenate(III) trihydrate","Acta Crystallographica Section C","1994","50","11","1683","1686","10.1107/S0108270194004130","","","0.7093","MoKα","","","0.02","","","0.027","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010155","9.551","0.002","19.355","0.003","10.73","0.002","90","","97.874","0.003","90","","1964.8","0.6","298","","298","","","","","","","","","3","I 1 c 1","I -2yc","9","Monoclinic titanium metaphosphate","Titanium(III) Tris(metaphosphate)","","- O27 P9 Ti3 -","- O9 P3 Ti -","- O108 P36 Ti12 -","12","3","BR1083","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Titanium(III) tris(metaphosphate)","Acta Crystallographica Section C","1994","50","11","1643","1646","10.1107/S010827019400613X","","","0.71073","MolybdenumKα","","","0.027","","","0.024","","","","","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010156","8.445","0.002","16.345","0.005","16.413","0.005","90","","90","","90","","2265.5","1.1","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C23 H24 B2 F8 Ru -","- C23 H24 B2 F8 Ru -","- C92 H96 B8 F32 Ru4 -","4","1","CD1066","Suravajjala, S.; Cervantes-Lee, F.; Porter, L.C.","(η^6^-Fluorene)(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II) bis(tetrafluoroborate), [Ru(C~10~H~14~)(C~13~H~10~)](BF~4~)~2~","Acta Crystallographica Section C","1994","50","11","1678","1681","10.1107/S010827019400051X","","","0.71073","MoKα","","","0.0275","","","0.0231","","","","","2.18","2.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010157","10.275","0.006","11.073","0.004","8.292","0.003","71.94","0.03","66.57","0.03","64.41","0.03","769.7","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","9-pivaloylfluorene ap-anti-t-butyl oxime","","- C18 H19 N O -","- C18 H19 N O -","- C36 H38 N2 O2 -","2","1","CR1097","Robinson, Paul D.; Lutfi, Hisham G.; Lim, Louis W.; Meyers, Cal Y.","Formation and identification of rotameric 9-pivaloylfluorene oximes. Structure of <i>ap</i>-(<i>Z</i>)-9-pivaloylfluorene oxime","Acta Crystallographica Section C","1994","50","11","1728","1732","10.1107/S0108270193014040","","","0.71069","MoKα","","","0.04","","","0.046","","","","","1.62","1.62","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010158","9.053","0.001","9.053","0.001","15.149","0.001","90","","90","","120","","1075.23","0.18","29","0.5","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- H8 O12 Si8 -","- H8 O12 Si8 -","- H24 O36 Si24 -","3","0.166667","CR1105","Törnroos, K.W.","Octahydridosilasesquioxane determined by neutron diffraction","Acta Crystallographica Section C","1994","50","11","1646","1648","10.1107/S0108270194005342","","neutron","1.215","neutron","","","0.031","","","0.0526","","","","","1.122","1.122","","","","","has coordinates","198523","2020-10-21","18:00:00",""
"2010159","6.436","0.004","6.954","0.003","14.85","0.009","90","","100.33","0.05","90","","653.9","0.6","193","","193","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4,8,8-tetrachloro-1,3,5,7-tetramethyl-cis-transoid-cis- tricyclo[5.1.0.0^3,5^]octane","","- C12 H16 Cl4 -","- C12 H16 Cl4 -","- C24 H32 Cl8 -","2","0.5","CR1110","Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E.","Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds","Acta Crystallographica Section C","1994","50","11","1765","1768","10.1107/S0108270194003513","","","0.71073","MoKα","","0.0275","0.0243","","0.0345","0.0333","","","","","1.361","1.361","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010160","17.177","0.009","6.426","0.002","14.516","0.004","90","","120.74","0.03","90","","1377.1","1","173","","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4,8,8-tetrabromo-1,3,5,7-tetramethyl-cis-transoid-cis-tricyclo- [5,1,0,0,3,5]octane","","- C12 H16 Br4 -","- C12 H16 Br4 -","- C48 H64 Br16 -","4","0.5","CR1110","Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E.","Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds","Acta Crystallographica Section C","1994","50","11","1765","1768","10.1107/S0108270194003513","","","0.71073","MoKα","","0.0629","0.0387","","0.0444","0.0391","","","","","1.126","1.126","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010161","6.43","0.002","13.437","0.004","7.804","0.002","90","","113.55","0.02","90","","618.1","0.3","298","","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,8-dibromo-1,3,5,7-tetramethyl-cis-transoid-cis-tricyclo[5.1.0.0^3,5^]octane","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C24 H36 Br4 -","2","0.5","CR1110","Lynch, V. M.; Baran, J. R.; Lagow, R. J.; Davis, Brian E.","Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds","Acta Crystallographica Section C","1994","50","11","1765","1768","10.1107/S0108270194003513","","","0.71073","MoKα","","0.0608","0.0346","","0.0406","0.0346","","","","","1.025","1.025","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010162","8.6548","0.0004","15.864","0.0007","14.9305","0.0012","90","","94.338","0.005","90","","2044.1","0.2","296","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetoxy-14-pentafluorophenyl-13-oxa-bicyclo[10.2.0]tetradecane","","- C21 H25 F5 O3 -","- C21 H25 F5 O3 -","- C84 H100 F20 O12 -","4","1","CR1120","Brock, Carolyn Pratt; Watt, David S.; Hiroyuki Morita","Product of a Paterno‒Büchi reaction of pentafluorobenzaldehyde and 1-acetoxycyclododecene","Acta Crystallographica Section C","1994","50","11","1805","1807","10.1107/S0108270194003525","","","0.71073","MoKα","","0.2083","0.0432","","0.1627","0.1321","","","","0.827","1.13","1.13","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010163","10.492","0.004","13.048","0.003","15.595","0.002","90","","99.54","0.03","90","","2105.4","1","289","","289","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-[2-(2'-hydroxy-1'-oxo-1',2',3',4'-tetrahydronaphthyl)ethyl]-1,2,3,4- tetrahydronaphthylone thiosemicarbazone","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","CR1128","Yang, Jian; Pandeya, S.N.; Dimmock, Jonathan R.; Quail, J. Wilson","A novel bistetrahydronaphthyl thiosemicarbazone","Acta Crystallographica Section C","1994","50","11","1828","1830","10.1107/S0108270194006098","","","0.7093","MolybdenumKα","","0.074","0.049","","0.05","0.05","","","","","2.47","2.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010164","9.523","0.002","12.849","0.003","17.079","0.003","90","","92.67","0.03","90","","2087.5","0.8","291","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 S3 Sn -","- C19 H27 N6 S3 Sn -","- C76 H108 N24 S12 Sn4 -","4","1","CR1153","Marsh, R.E.","<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV): change in space group","Acta Crystallographica Section C","1994","50","11","1713","1715","10.1107/S0108270194005767","","","0.71073","MoKα","","","0.0311","","","","","","","","","","","","","","has coordinates","282086","2023-03-28","13:50:54",""
"2010165","3.719","0.001","12.395","0.002","34.147","0.005","90","","90","","90","","1574.1","0.5","293","","","","","","","","","","","3","C m c m","-C 2c 2","","","","","- Fe2 S11 Yb6 -","- S11 Yb8 -","- S44 Yb32 -","4","0.25","DU1060","Chaqour, S.M.; Tomas, A.; Lemoine, P.; Palazzi, M.; Guittard, M.","l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~","Acta Crystallographica Section C","1994","50","11","1655","1657","10.1107/S0108270194000971","","","0.71069","MoKα","","","0.0534","","","0.0532","","","","","1.77","1.77","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010166","10.636","0.002","12.041","0.002","10.567","0.001","113.68","0.01","110.54","0.01","81.97","0.01","1160.6","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- H8 K4 Mo6 O26 Pt -","- K4 Mo6 O26 Pt -","- K8 Mo12 O52 Pt2 -","2","1","DU1074","Joo, H.C.; Park, K.M.; Lee, U.","Tetrapotassium tetrahydrogen-β-hexamolybdoplatinate(IV) dihydrate, K~4~[H~4~β-PtMo~6~O~24~].2H~2~O","Acta Crystallographica Section C","1994","50","11","1659","1661","10.1107/S0108270194004816","","","0.71069","MoKα","","","0.044","","","0.058","","","","","3.84","3.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010167","8.0934","0.001","19.998","0.003","11.926","0.002","90","","90","","90","","1930.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","CAROXAZONE","2-oxo-2H-1, 3-benzoxazine 3(4H)-acetamide","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","2","DU1075","Wouters, Johan; Evrard, Guy; Durant, Francois","The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor","Acta Crystallographica Section C","1994","50","11","1774","1777","10.1107/S0108270194001393","","","1.54178","CuKα","","0.0398","0.0357","","0.0944","0.0852","","","","0.909","0.903","0.903","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010168","10.071","0.001","14.937","0.001","11.173","0.001","90","","115.03","0.01","90","","1522.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-([1,1']-ferrocenyldimethylsilyl)ferrocene","","- C34 H38 Fe3 Si2 -","- C34 H38 Fe3 Si2 -","- C68 H76 Fe6 Si4 -","2","0.5","FG1011","Lough, Alan J.; Manners, Ian; Rulkens, Ron","A linear oligo(ferrocenylsilane)","Acta Crystallographica Section C","1994","50","11","1667","1669","10.1107/S010827019400658X","","","0.71073","MoKα","","0.0964","0.0431","","0.1224","0.099","","","","1.031","1.084","1.084","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010169","4.863","0.005","9.963","0.003","14.024","0.003","69.99","0.02","76.7","0.04","80.28","0.04","618.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","p-chlorophenylamidopentanoic acid","","","- C12 H14 Cl N O3 -","- C12 H13 Cl N O3 -","- C24 H26 Cl2 N2 O6 -","2","1","","Wouters, Johan; Evrard, Guy; Durant, Francois","The Molecular Structure of Caroxazone, a Reversible Monoamine Oxidase Inhibitor","Acta Crystallographica Section C","1994","50","","1774","1777","","","","","","","","0.0432","","","0.136","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010170","5.001","0.001","7.972","0.007","16.843","0.002","76.863","0.01","80.667","0.01","76.14","0.05","630.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Phenylamidohexanoic acid","7-oxo-7(phenylamino)heptanoic acid","","- C13 H17 N O3 -","- C13 H16 N O3 -","- C26 H32 N2 O6 -","2","1","HA1070","Feeder, N.; Jones, W.","Two ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar""-oxo-ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar""-(phenylamino) aliphatic acids","Acta Crystallographica Section C","1994","50","11","1732","1734","10.1107/S0108270194000995","","","0.71069","MoKα","","0.0946","0.0468","","0.1382","0.1283","","","","1.001","1.25","1.25","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010171","14.727","0.007","10.123","0.005","20.361","0.01","90","","105.02","0.03","90","","2932","3","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Co N4 O2 P -","- C31 H38 Co N4 O2 P -","- C124 H152 Co4 N16 O8 P4 -","4","1","HA1096","Weakley, T.J.R.; Marks, J.; Finke, R.G.","The cobalt(I) coenzyme B~12~ model complex [2,10-diethyl-3,9-dimethyl-1,4,8,11-tetraazaundeca-1,3,8,10-tetraene-1,11-diolato(1‒)](triphenylphosphine)cobalt(I)","Acta Crystallographica Section C","1994","50","11","1690","1692","10.1107/S0108270194004300","","","0.71073","MoKα","","","0.037","","","0.038","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010172","10.752","0.005","7.652","0.005","11.11","0.002","90","","111.8","0.05","90","","848.7","0.8","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl(η^6^-pyridine)chromium(0)","","- C8 H5 Cr N O3 -","- C8 H5 Cr N O3 -","- C32 H20 Cr4 N4 O12 -","4","1","HA1108","Draper, Sylvia M.; Byrne, Janice J.; Breheny, Ciara J.; Long, Conor; Low, John N.","Tricarbonyl(η^6^-pyridine)chromium(0)","Acta Crystallographica Section C","1994","50","11","1669","1671","10.1107/S0108270194006803","","","0.7093","MolybdenumKα","","0.045","0.044","","0.063","0.061","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010173","9.1105","0.001","16.512","0.002","17.96","0.0012","77.648","0.015","78.482","0.013","81.618","0.016","2571","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","tetrakis(2-methoxyphenyl)tin","tetrakis(2-methoxyphenyl)tin","","- C28 H28 O4 Sn -","- C28 H28 O4 Sn -","- C112 H112 O16 Sn4 -","4","2","HA1113","Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.","Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin","Acta Crystallographica Section C","1994","50","11","1703","1707","10.1107/S0108270194006815","","","0.71067","MolybdenumKα","","0.063","0.028","","0.045","0.039","","","","","1.01","1.01","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010174","14.2266","0.0017","14.2266","0.0017","7.3943","0.0007","90","","90","","90","","1496.6","0.3","293","","293","","","","","","","","","4","P -4 21 c","P -4 2n","114","tetrakis(2-methoxybenzyl)tin","tetrakis(2-methoxybenzyl)tin","","- C32 H36 O4 Sn -","- C32 H36 O4 Sn -","- C64 H72 O8 Sn2 -","2","0.25","HA1113","Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.","Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin","Acta Crystallographica Section C","1994","50","11","1703","1707","10.1107/S0108270194006815","","","0.71067","MolybdenumKα","","0.049","0.025","","0.047","0.037","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010175","15.2742","0.0014","7.1069","0.0006","12.5036","0.0013","90","","110.744","0.007","90","","1269.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenylthiomethylene (Meldrum's acid)","2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxane-4,6-dione","","- C13 H12 O4 S -","- C13 H12 O4 S -","- C52 H48 O16 S4 -","4","1","HA1114","Blake, Alexander J.; McNab, Hamish; Morrow, Mark","2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","1994","50","11","1716","1717","10.1107/S0108270194004804","","","0.71073","MoKα","","0.0975","0.0559","","0.188","0.1356","","","","1.072","1.146","1.146","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010176","6.2368","0.001","7.3286","0.001","21.438","0.003","95.834","0.01","97.413","0.01","89.533","0.01","966.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sodium p-chloro-trans-cinnamate monohydrate","sodium 4-chloro-(E)-3-phenyl-2-propenoate monohydrate","","- C9 H8 Cl Na O3 -","- C9 H8 Cl Na O3 -","- C36 H32 Cl4 Na4 O12 -","4","2","HA1117","Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J.","Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates","Acta Crystallographica Section C","1994","50","11","1665","1667","10.1107/S0108270194006839","","","0.71069","MoKα","","0.0865","0.042","","0.1327","0.111","","","","1.012","1.203","1.203","","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2010177","5.779","0.001","5.3","0.003","35.811","0.005","90","","95.06","0.02","90","","1092.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexa-aqua-magnesium bis(p-chloro-trans-cinnamate)","hexa-aqua-magnesium bis(4-chloro-(E)-3-phenyl-2-propenoate","","- C18 H24 Cl2 Mg O10 -","- C18 H24 Cl2 Mg O10 -","- C36 H48 Cl4 Mg2 O20 -","2","0.5","HA1117","Kariuki, B.M.; Valim, J.B.; Jones, W.; King, J.","Monohydrate sodium and hexaaquamagnesium <i>p</i>-chloro-<i>trans</i>-cinnamates","Acta Crystallographica Section C","1994","50","11","1665","1667","10.1107/S0108270194006839","","","0.71069","MoKα","","0.0446","0.031","","0.0996","0.0903","","","","1.094","1.18","1.18","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2010178","9.439","0.003","12.979","0.004","13.773","0.005","90","","90","","90","","1687.3","1","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(7R,8S,9R)-5,6-seco-neo-clerodane-1,3,5(10),13(16),14-pentaene-12-oxo-15, 16-epoxy-18,19;20(7)-diolide","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","HH1055","Toscano, R.A.; Sanchez, A.A.; Esquivel, B.; Esquivel, O.; Rodriguez-Hahn, L.","Salvireptanolide","Acta Crystallographica Section C","1994","50","11","1794","1796","10.1107/S0108270194000181","","","1.54178","CuKα","","","0.039","","","0.045","","","","","1.08","1.08","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010179","15.75","0.003","13.47","0.002","13.356","0.002","90","","90","","90","","2833.5","0.8","291","","","","","","","","","","","4","A b a 2","A 2 -2ab","","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","HL1045","Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S.","4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~","Acta Crystallographica Section C","1994","50","11","1768","1770","10.1107/S0108270194000533","","","0.71069","MoKα","","","0.0414","","","0.0415","","","","","1.067","1.067","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010180","32.108","0.006","9.244","0.002","12.043","0.003","90","","103.63","0.02","90","","3473.8","1.3","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C16 H19 Br N2 O4 -","- C16 H19 Br N2 O4 -","- C128 H152 Br8 N16 O32 -","8","1","HL1048","Chen, X.-M.; Mak, T.C.W.","Bis(pyridiniopropionate) hydrogen bromide","Acta Crystallographica Section C","1994","50","11","1807","1809","10.1107/S0108270194001150","","","0.71073","MoKα","","","0.061","","","0.076","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010181","7.763","0.001","7.751","0.001","17.071","0.004","90","","96.26","0.02","90","","1021.1","0.3","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","1","HL1049","Chen, W.; Teo, S.-B.; Teoh, S.-G.; Okechuwu, R.C.","2-Acetyl-3-methyl-4<i>H</i>-1,4-benzothiazine 1-oxide","Acta Crystallographica Section C","1994","50","11","1756","1758","10.1107/S0108270194001897","","","0.71073","MoKα","","","0.041","","","0.047","","","","","0.75","0.75","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010182","9.265","0.001","9.354","0.001","17.399","0.002","90","","94.39","0.01","90","","1503.5","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C48 H96 N8 O16 -","4","1","HL1050","Wong, W.-T.","<i>N</i>,<i>N</i>'-Bis(methoxycarbonyl)-2,5-dimethylhexane-2,5-diamine","Acta Crystallographica Section C","1994","50","11","1796","1798","10.1107/S0108270194001162","","","0.71073","MoKα","","","0.048","","","0.055","","","","","1.33","1.33","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010183","8.22","0.001","16.579","0.002","11.192","0.001","90","","93.4","0.01","90","","1522.6","0.3","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Cl8 P4 Zr2 -","- C12 H36 Cl8 P4 Zr2 -","- C24 H72 Cl16 P8 Zr4 -","2","0.5","HR1002","Cotton, F.A.; Wojtczak, W.A.","Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1994","50","11","1662","1664","10.1107/S0108270194003963","","","0.71073","MoKα","","","0.0288","","","0.0376","","","","","0.801","0.801","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010184","20.598","0.004","9.431","0.001","15.307","0.003","90","","122.06","0.01","90","","2520","0.8","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C16 H22 I4 P2 Zr -","- C16 I4 P2 Zr -","- C64 I16 P8 Zr4 -","4","0.5","HR1002","Cotton, F.A.; Wojtczak, W.A.","Two zirconium(IV) complexes, [Zr~2~Cl~8~(PMe~3~)~4~] and <i>trans</i>-[ZrI~4~(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1994","50","11","1662","1664","10.1107/S0108270194003963","","","0.71073","MoKα","","","0.0399","","","0.0616","","","","","1.423","1.423","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010185","14.214","0.001","6.593","0.001","16.543","0.001","90","","99.51","0.01","90","","1529","0.3","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-[(tert-butyloxycarbonyl)amino]-4-hydroxy-cyclohexane-1-carboxylate","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C52 H92 N4 O20 -","4","1","HR1005","Mackay, M.F.; McLeish, M.J.; Campbell, M.","Two nitrogen-containing analogues of chorismic acid","Acta Crystallographica Section C","1994","50","11","1734","1738","10.1107/S010827019400212X","","","1.5418","CopperKα","","","0.07","","","0.075","","","","","3.79","3.79","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2010186","6.843","0.001","10.205","0.001","11.642","0.001","94.81","0.01","100.1","0.01","105.96","0.01","762.02","0.16","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","Methyl 4-[(tert-butyloxycarbonyl)amino]-3-hydroxy-cyclohexane-1-carboxylate","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","HR1005","Mackay, M.F.; McLeish, M.J.; Campbell, M.","Two nitrogen-containing analogues of chorismic acid","Acta Crystallographica Section C","1994","50","11","1734","1738","10.1107/S010827019400212X","","","1.5418","CopperKα","","","0.054","","","0.075","","","","","3.14","3.14","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2010187","8.084","0.001","15.557","0.001","10.518","0.002","90","","95.1","0.01","90","","1317.5","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N4 S2 -","- C12 H8 Cu N4 S2 -","- C48 H32 Cu4 N16 S8 -","4","0.5","HR1026","Parker, O. Jerry; Wilson, Billie L.; Breneman, Gary L.","(2,2'-Bipyridine)bis(thiocyanato-<i>N</i>)copper(II), [Cu(bipy)(NCS)~2~]","Acta Crystallographica Section C","1994","50","11","1681","1683","10.1107/S0108270194006980","","","0.71073","MoKα","","","0.041","","","0.05","","","","","1.63","1.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010188","7.261","0.001","16.913","0.002","11.574","0.001","90","","94.85","0.01","90","","1416.3","0.3","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3'-(2,6-Dichlorophenyl)spiroo[bicyclo[2.2.1]heptane-2,5'(4'H)-isoxazole- 3-one","","- C15 H13 Cl2 N O2 -","- C15 H13 Cl2 N O2 -","- C60 H52 Cl8 N4 O8 -","4","1","HR1029","Mackay, M. F.; Savage, G. P.; Simpson, G.W.","3'-(2,6-Dichlorophenyl)bicyclo[2.2.1]heptane-2-spiro-5'(4'<i>H</i>)-isoxazole-3-one","Acta Crystallographica Section C","1994","50","11","1772","1774","10.1107/S0108270194004622","","","1.5418","CopperKα","","","0.046","","","0.066","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010189","9.278","0.004","11.635","0.008","15.812","0.004","76.46","0.05","78.46","0.04","72.77","0.05","1569.2","1.4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy- 8-oxospiro[4.5]deca-6,9-diene-trans-2,3-dicarboxylate acetone solvate","","- C30 H38 O13 -","- C30 H38 O13 -","- C60 H76 O26 -","2","1","HR1032","Pajunen, Aarne; Brunow, Gösta; Setälä, Harri","Dimethyl-1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy-8-oxospiro[4.5]deca-6,9-diene-<i>trans</i>-2,3-dicarboxylate acetone solvate","Acta Crystallographica Section C","1994","50","11","1823","1825","10.1107/S0108270194006979","","","0.71069","MoKα","","0.1716","0.0955","","0.3174","0.2855","","","","1.007","1.353","1.353","","","","","has coordinates,has disorder","194538","2020-10-21","18:00:00",""
"2010190","7.486","0.006","8.965","0.006","11.323","0.008","98.91","0.05","92.71","0.06","98.82","0.06","739.9","0.9","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","anti,anti-N-(2,6-dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide","","- C12 H17 N O2 S4 -","- C12 H17 N O2 S4 -","- C24 H34 N2 O4 S8 -","2","1","HR1035","Errington, William; Sparey, Tim J.; Taylor, Paul C.","<i>anti</i>,<i>anti</i>-<i>N</i>-(2,6-Dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide","Acta Crystallographica Section C","1994","50","11","1821","1823","10.1107/S0108270194007110","","","0.71073","MoKα","","0.0453","0.0382","","0.1146","0.1076","","","","1.045","1.066","1.066","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010191","8.547","0.002","10.187","0.004","13.895","0.006","72.45","0.03","85.2","0.03","86.06","0.03","1148.3","0.7","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H24 Cu2 F12 N2 O8 S4 -","- C42 H24 Cu2 F12 N2 O8 S4 -","- C42 H24 Cu2 F12 N2 O8 S4 -","1","0.5","HU1025","Li, M.-X.; Xu, Z.; You, X.-Z.; Chen, C.-G.","A binuclear copper(II) complex: μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-bis{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']copper}","Acta Crystallographica Section C","1994","50","11","1699","1701","10.1107/S0108270194003276","","","0.7093","MoKα","","","0.056","","","0.063","","","","","1.52","1.52","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010192","10.778","0.002","23.669","0.01","11.483","0.002","90","","111.57","0.01","90","","2724.2","1.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br N2 -","- C15 H15 Br N2 -","- C120 H120 Br8 N16 -","8","2","HU1034","Ahmet, M.T.; Silver, J.; Houlton, A.","Influence of crystal environment on molecular conformation: <i>p</i>-bromo-<i>N</i>-(<i>p</i>-dimethylaminobenzylidene)aniline","Acta Crystallographica Section C","1994","50","11","1814","1818","10.1107/S0108270194003252","","","0.71073","MoKα","","","0.037","","","0.044","","","","","0.575","0.575","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010193","7.957","0.001","9.488","0.001","13.312","0.003","89.68","0.01","76.86","0.01","81.17","0.01","966.6","0.3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Au Br3 N2 -","- C20 H14 Au Br3 N2 -","- C40 H28 Au2 Br6 N4 -","2","1","HU1070","Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T.","Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I)","Acta Crystallographica Section C","1994","50","11","1701","1703","10.1107/S0108270194000077","","","0.71073","MoKα","","","0.0455","","","0.0595","","","","","0.8","0.8","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010194","14.724","0.003","7.621","0.002","11.844","0.002","90","","95.17","0.03","90","","1323.6","0.5","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","monoacetylparacyclophane","4-acetyl(2.2)paracyclophane","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","HU1077","Lindeman, Sergey V.; Struchkov, Yuri T.; Guryshev, Vyacheslav N.","5-Acetyl[2.2]paracyclophane","Acta Crystallographica Section C","1994","50","11","1747","1749","10.1107/S0108270194003264","","","0.71069","MoKα","","0.0606","0.0512","","0.1668","0.1461","","","","1.057","1.056","1.056","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010195","11.663","0.002","11.909","0.01","15.306","0.01","76.01","0.06","84.67","0.03","87.14","0.04","2053","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(2-hydroxyethyl)pyrrolidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O3 -","- C20 H24 Cl2 N2 O3 -","- C80 H96 Cl8 N8 O12 -","4","2","HU1099","Castellari, Carlo; Sabatino, Piera","Anti-inflammatory drugs: 1-(2-hydroxyethyl)pyrrolidinium salt of diclofenac","Acta Crystallographica Section C","1994","50","11","1723","1726","10.1107/S0108270194003926","","","0.71069","MoKα","","0.0608","0.0443","","0.1191","0.108","","","","1.068","1.147","1.147","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010196","10.888","0.008","5.095","0.003","10.923","0.008","90","","111.16","0.05","90","","565.1","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-chloro-2-oxopropyltosylate","3-Chloro-2-oxopropyl-p-toluenesulfonate","","- C10 H11 Cl O4 S -","- C10 H11 Cl O4 S -","- C20 H22 Cl2 O8 S2 -","2","1","HU1109","Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey","3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1994","50","11","1825","1828","10.1107/S0108270194006499","","","0.71073","MoKα","","0.0423","0.0341","","0.1033","0.0905","","","","1.061","1.072","1.072","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010197","11.002","0.002","5.16","0.002","22.49","0.003","90","","110.48","0.03","90","","1196.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Bromo-2-oxopropyltosylate","3-Bromo-2-oxopropyl-p-toluenesulfonate","","- C10 H11 Br O4 S -","- C10 H11 Br O4 S -","- C40 H44 Br4 O16 S4 -","4","1","HU1109","Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey","3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1994","50","11","1825","1828","10.1107/S0108270194006499","","","0.71073","MoKα","","0.1236","0.0401","","0.1092","0.0877","","","","1.018","1.117","1.117","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010198","8.981","0.006","25.31","0.006","7.545","0.003","90","","109.11","0.03","90","","1620.5","1.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O -","- C19 H24 F N O -","- C76 H96 F4 N4 O4 -","4","2","KA1034","Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.","<small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","1994","50","11","1745","1747","10.1107/S0108270193012545","","","0.71069","MoKα","","","0.051","","","0.055","","","","","0.349","0.349","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010199","8.243","0.01","8.717","0.009","10.652","0.009","67.91","0.07","81.73","0.09","74.09","0.09","681.3","1.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C32 H26 N2 O10 -","2","1","KA1054","Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A.","3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione","Acta Crystallographica Section C","1994","50","11","1777","1779","10.1107/S0108270193013277","","","0.71069","MoKα","","","0.054","","","0.051","","","","","0.84","0.84","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010200","22.391","0.009","3.876","0.003","17.683","0.007","90","","90.12","0.03","90","","1534.7","1.5","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C7 H10 N4 O -","- C7 H10 N4 O -","- C56 H80 N32 O8 -","8","1","KA1062","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~","Acta Crystallographica Section C","1994","50","11","1753","1756","10.1107/S0108270194002106","","","1.5418","CuKα","","","0.038","","","0.039","","","","","1.5","1.5","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010201","7.944","0.005","8.485","0.006","6.829","0.003","87.11","0.02","93.65","0.03","111.58","0.02","427","0.4","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 N6 -","- C7 H12 N6 -","- C14 H24 N12 -","2","1","KA1062","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~","Acta Crystallographica Section C","1994","50","11","1753","1756","10.1107/S0108270194002106","","","1.5418","CuKα","","","0.057","","","0.058","","","","","2.2","2.2","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010202","17.714","0.009","7.571","0.005","17.974","0.01","90","","103.85","0.06","90","","2340","2","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C28 H25 N3 O4 -","- C29 H23 N3 O4 -","- C116 H92 N12 O16 -","4","1","KA1063","Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V.","Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate","Acta Crystallographica Section C","1994","50","11","1784","1786","10.1107/S0108270194001964","","","0.71069","MoKα","","","0.072","","","0.068","","","","","1.23","1.23","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010203","12.1732","0.0009","6.8173","0.0006","16.737","0.001","90","","93.457","0.006","90","","1386.45","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (E)-2-benzoyl-3-dimethylaminopropenoate","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","KA1064","Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko","Three substituted 3-aminopropenoates","Acta Crystallographica Section C","1994","50","11","1842","1846","10.1107/S0108270193013423","","","0.71069","MoKα","","0.06","0.047","","0.066","0.049","","","","0.988","0.957","0.957","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010204","8.29","0.001","8.067","0.001","12.5","0.002","90.38","0.01","94.5","0.02","90.35","0.02","833.3","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","Ethyl (Z)-2-benzoyl-3-(3'-nitrophenyl)aminopropenoate","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","KA1064","Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko","Three substituted 3-aminopropenoates","Acta Crystallographica Section C","1994","50","11","1842","1846","10.1107/S0108270193013423","","","0.71069","MoKα","","0.068","0.059","","0.072","0.062","","","","0.947","0.997","0.997","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010205","8.3383","0.0007","9.4365","0.0007","10.5925","0.0008","71.904","0.007","88.558","0.007","81.614","0.008","783.59","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","Methyl (Z)-3-(4,6-dimethylpyrimidinyl-2)amino-2-(1-methoxy- -1-methylthio)methyleneaminopropenoate","","- C13 H18 N4 O3 S -","- C13 H18 N4 O3 S -","- C26 H36 N8 O6 S2 -","2","1","KA1064","Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko","Three substituted 3-aminopropenoates","Acta Crystallographica Section C","1994","50","11","1842","1846","10.1107/S0108270193013423","","","0.71069","MoKα","","0.06","0.042","","0.058","0.044","","","","0.983","1.019","1.019","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010206","3.793","0.0006","15.704","0.002","25.035","0.002","90","","90","","90","","1491.2","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C64 H40 Cl8 N16 O8 -","8","2","KA1066","Gλówka, M.L.; Iwanicka, I.; Olczak, A.","6-Chloro-4(1<i>H</i>)-cinnolinone","Acta Crystallographica Section C","1994","50","11","1770","1772","10.1107/S0108270194001058","","","1.54178","CuKα","","","0.043","","","0.058","","","","","0.77","0.77","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010207","10.058","0.001","10.154","0.001","13.296","0.001","90","","94.8","0.01","90","","1353.1","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N -","- C16 H23 N -","- C64 H92 N4 -","4","1","KA1074","Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine","Two octahydroacridines","Acta Crystallographica Section C","1994","50","11","1798","1801","10.1107/S010827019400435X","","","0.71073","MoKα","","","0.061","","","0.196","","","","","1.175","1.175","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010208","9.016","0.001","18.475","0.002","9.295","0.001","90","","106.85","0.01","90","","1481.8","0.3","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N -","- C17 H25 N -","- C68 H100 N4 -","4","1","KA1074","Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine","Two octahydroacridines","Acta Crystallographica Section C","1994","50","11","1798","1801","10.1107/S010827019400435X","","","1.54178","CuKα","","","0.072","","","0.209","","","","","1.035","1.035","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010209","7.487","0.001","19.6","0.002","11.287","0.001","90","","90","","90","","1656.3","0.3","295","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","LI1076","Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J.","2,4,6-Triphenylpyridine","Acta Crystallographica Section C","1994","50","11","1809","1811","10.1107/S0108270194002441","","","0.71073","MoKα","","","0.039","","","0.039","","","","","0.35","0.35","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010210","10.003","0.002","14.636","0.003","28.724","0.007","90","","90","","90","","4205.3","1.6","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C216 H176 N16 O16 -","8","1","LI1081","He, Y.; Su, G.; Shi, J.","4,4'-Methylenediiminobis(benzophenone)","Acta Crystallographica Section C","1994","50","11","1786","1788","10.1107/S0108270194002246","","","0.71069","MoKα","","","0.071","","","0.082","","","","","1.63","1.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010211","11.967","0.009","18.125","0.009","19.502","0.007","90","","106.62","0.03","90","","4053","4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N'-o-phenylenebis(salicylideneaminato)]bis(ethanol)manganese(III) tetraphenylborate","","- C48 H48 B Mn N2 O4 -","- C50 H49 B Mn N2 O4 -","- C200 H196 B4 Mn4 N8 O16 -","4","1","LI1115","McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A.","[Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds","Acta Crystallographica Section C","1994","50","11","1676","1678","10.1107/S0108270194003379","","","0.71069","MoKα","","","0.0697","","","0.0669","","","","","1.512","1.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010212","13.627","0.003","16.619","0.006","23.942","0.004","90","","90","","90","","5422","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N5 O3.5 -","- C29 H31 Co N5 O3.5 -","- C232 H248 Co8 N40 O28 -","8","1","MU1118","Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate","Acta Crystallographica Section C","1994","50","11","1694","1696","10.1107/S0108270194005871","","","0.71069","MoKα","","0.0952","0.051","","0.1603","0.1316","","","","1.115","1.181","1.181","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2010213","5.578","0.001","15.006","0.003","6.275","0.002","90","","117.83","0.02","90","","464.5","0.2","293","","293","","","","","","","","","7","I 1 2/a 1","","","","","","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- O6 P Y -","- O24 P4 Y4 -","4","0.5","","Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter","Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation","Acta Crystallographica Section C","1994","50","","1651","1652","","","","","","","","0.077","","","0.052","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010214","5.995","0.001","9.08","0.001","20.379","0.002","90","","90","","90","","1109.3","0.2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.049","","","0.045","","","","","0.99","0.99","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010215","11.405","0.001","8.354","0.001","17.142","0.001","90","","90","","90","","1633.2","0.3","293","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.034","","","0.041","","","","","1.14","1.14","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010216","10.899","0.001","11.056","0.001","12.174","0.002","90","","99.74","0.02","90","","1445.8","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.046","","","0.052","","","","","1.34","1.34","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010217","7.503","0.001","19.33","0.002","10.957","0.002","90","","102.91","0.02","90","","1549","0.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","2","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.041","","","0.048","","","","","1.27","1.27","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010218","10.1046","0.0014","4.7565","0.0011","11.677","0.003","90","","92.09","0.02","90","","560.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-p,p-dibromoazobenzene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","NA1099","Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony","A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene","Acta Crystallographica Section C","1994","50","11","1818","1819","10.1107/S0108270194004579","","","0.71073","MoKα","","0.0525","0.0288","","0.0721","0.0641","","","","1.065","1.111","1.111","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010219","14.037","0.003","11.716","0.001","9.302","0.001","90","","90","","90","","1529.8","0.4","173","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H28 I N -","- C12 H28 I N -","- C48 H112 I4 N4 -","4","1","OH1039","Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B.","Low-temperature phase of tetrapropylammonium iodide","Acta Crystallographica Section C","1994","50","11","1758","1760","10.1107/S0108270194000703","","","0.71069","MoKα","","","0.0292","","","0.0315","","","","","0.8657","0.8657","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010220","8.098","0.001","9.929","0.002","7.515","0.003","92.65","0.02","94.56","0.02","96.37","0.02","597.7","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N2 O6 -","- C24 H36 N2 O6 -","- C24 H36 N2 O6 -","1","0.5","OH1060","Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi","Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate","Acta Crystallographica Section C","1994","50","11","1741","1745","10.1107/S0108270193014325","","","0.71073","MoKα","","","0.038","","","0.041","","","","","1.93","1.93","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010221","5.558","0.002","46.03","0.02","7.418","0.003","90","","106.82","0.04","90","","1816.6","1.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O5 -","- C18 H28 N2 O5 -","- C72 H112 N8 O20 -","4","1","OH1060","Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi","Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate","Acta Crystallographica Section C","1994","50","11","1741","1745","10.1107/S0108270193014325","","","0.71073","MoKα","","","0.06","","","0.045","","","","","1.41","1.41","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010222","8.41","0.001","13.762","0.001","9.53","0.001","90","","105.57","0.11","90","","1062.5","0.6","290","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O Se -","- C11 H13 N O Se -","- C44 H52 N4 O4 Se4 -","4","1","PA1088","Dupont, L.; Jacquemin, P.","2,4,4-Trimethyl-2<i>H</i>-1,2-benzoselenazin-3(4<i>H</i>)-one","Acta Crystallographica Section C","1994","50","11","1801","1802","10.1107/S0108270194001691","","","1.5418","CuKα","","","0.075","","","0.07","","","","","0.63","0.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010223","11.335","0.002","7.418","0.002","15.424","0.003","90","","102.16","0.02","90","","1267.8","0.5","273","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N5 -","- C13 H18 N5 -","- C52 H72 N20 -","4","1","PA1090","Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G.","<i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine","Acta Crystallographica Section C","1994","50","11","1760","1762","10.1107/S0108270194001411","","","0.7107","MoKα","","","0.041","","","0.039","","","","","1.239","1.239","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010224","19.573","0.006","7.333","0.002","27.31","0.006","90","","103.78","0.02","90","","3807","1.8","273","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl3 N3 O6 -","- C13 H16 Cl3 N3 O6 -","- C104 H128 Cl24 N24 O48 -","8","1","PA1092","Rodier, N.; Belaissaoui, A.; Morpain, C.; Laude, B.","3-Méthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~13~H~16~Cl~3~N~3~O~6~","Acta Crystallographica Section C","1994","50","11","1762","1764","10.1107/S0108270194001526","","","0.71073","MoKα","","","0.041","","","0.044","","","","","1.353","1.353","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010225","10.515","0.01","13.295","0.01","9.349","0.01","90","","90","","90","","1307","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Dipyridiniomethane-Pentafluoroosmate(IV)","Dipyridiniomethane-Pentafluoroosmate(IV)","","- C11 H12 Cl F5 N2 Os -","- C11 H12 Cl F5 N2 Os -","- C44 H48 Cl4 F20 N8 Os4 -","4","0.5","PA1129","Bruhn, Clemens; Preetz, Wilhelm","Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]","Acta Crystallographica Section C","1994","50","11","1687","1690","10.1107/S0108270194006633","","","0.71069","MoKα","","0.0225","0.0196","","0.0508","0.0489","","","","1.173","1.178","1.178","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010226","10.358","0.001","10.358","0.001","10.358","0.001","90","","90","","90","","1111.29","0.19","200","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C H N3 O6 -","- C H N3 O6 -","- C8 H8 N24 O48 -","8","0.333333","SE1040","Schodel, H.; Dienelt, R.; Bock, H.","Trinitromethane","Acta Crystallographica Section C","1994","50","11","1790","1792","10.1107/S0108270194002131","","","0.71073","MoKα","","","0.0317","","","0.0772","","","","","1.067","1.067","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010227","19.35","0.01","5.885","0.003","20.368","0.01","90","","111.9","0.04","90","","2152","2","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C20 H21 F9 N2 O2 -","- C20 H21 F9 N2 O2 -","- C80 H84 F36 N8 O8 -","4","1","SH1082","Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.","<i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K","Acta Crystallographica Section C","1994","50","11","1803","1805","10.1107/S0108270194000132","","","0.71069","MoKα","","","0.052","","","0.065","","","","","1.826","1.826","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010228","5.011","0.0004","13.01","0.003","8.922","0.001","90","","93.15","0.008","90","","580.77","0.16","287","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C20 H30 N6 O10 -","2","1","ST1089","Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V.","Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~","Acta Crystallographica Section C","1994","50","11","1837","1839","10.1107/S0108270194001472","","","1.5418","CuKα","","","0.03","","","0.036","","","","","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010229","10.604","0.001","9.066","0.001","13.904","0.001","90","","96.62","0.01","90","","1327.8","0.2","291","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","1","AB1102","Hursthouse, M.B.; Ciechanowicz-Rutkowska, M.; Burgiel, M.; Zankowska-Jasińska, W.","5-Acetyl-6-methyl-3-phenyl-4-thioxo-3,4-dihydro-2<i>H</i>-1,3-oxazin-2-one","Acta Crystallographica Section C","1994","50","12","2001","2003","10.1107/S0108270194004993","","","0.71069","MoKα","","","0.037","","","0.039","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010230","25.543","0.004","6.5659","0.0008","8.6913","0.0012","90","","93.663","0.011","90","","1454.7","0.4","122","0.5","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","2","AB1136","Diego, H. Lopez de","(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate","Acta Crystallographica Section C","1994","50","12","1995","1998","10.1107/S0108270194003884","","","1.5418","CuKα","","","0.0533","","","0.1487","","","","","1.059","1.059","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010231","10.113","0.002","10.546","0.002","8.618","0.001","105.64","0.02","102.1","0.02","113.63","0.02","756.5","0.3","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","AB1137","Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U.","(<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid","Acta Crystallographica Section C","1994","50","12","2019","2022","10.1107/S010827019400329X","","","1.54178","CuKα","","","0.042","","","0.053","","","","","2.37","2.37","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010232","11.057","0.003","12.937","0.002","13.639","0.004","90","","90","","90","","1951","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H23 B10 P -","- C15 H23 B10 P -","- C60 H92 B40 P4 -","4","1","AB1140","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1994","50","12","2027","2030","10.1107/S0108270194003306","","","0.71069","MoKα","","","0.048","","","0.047","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010233","25.058","0.004","25.058","0.004","13.585","0.002","90","","90","","120","","7387","2","293","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8 H18 N4 O4 S2 Zn -","- C8 H18 N4 O4 S2 Zn -","- C144 H324 N72 O72 S36 Zn18 -","18","1","AB1149","Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K.","Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1994","50","12","1900","1902","10.1107/S0108270194004397","","","0.71073","MoKα","","","0.0292","","","0.0343","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010234","16.283","0.003","8.15","0.002","20.697","0.004","90","","97.56","0.03","90","","2722.8","1","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C136 H120 N24 -","8","2","AB1155","Klinga, M.; Polamo, M.; Leskelä, M.","2,6-Bis(phenylamino)pyridine","Acta Crystallographica Section C","1994","50","12","2051","2054","10.1107/S0108270194005111","","","0.71073","MoKα","","","0.0542","","","0.0449","","","","","2.16","2.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010235","11.069","0.001","11.208","0.001","9.915","0.001","90","","101.396","0.009","90","","1205.8","0.2","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O S2 -","- C12 H20 O2 S2 -","- C48 H80 O8 S8 -","4","0.5","AB1168","Kivekäs, Raikko; Sillanpää, Reijo; Escriche, Lluis; Almajano, M. Pilar; Teixidor, Francesc; Casabó, Jaume","6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene","Acta Crystallographica Section C","1994","50","12","2047","2049","10.1107/S0108270194008395","","","0.71069","MoKα","","","0.044","","","0.055","","","","","2.23","2.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010236","14.502","0.002","10.904","0.003","14.503","0.002","90","","90.34","0.01","90","","2293.3","0.8","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 O4 S2 -","- C26 H26 O4 S2 -","- C104 H104 O16 S8 -","4","0.5","AB1169","Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume","Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate","Acta Crystallographica Section C","1994","50","12","2049","2051","10.1107/S0108270194008401","","","0.71069","MoKα","","","0.052","","","0.056","","","","","1.78","1.78","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010237","10.793","0.002","8.168","0.002","11.289","0.002","90","","91.3","0.03","90","","995","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Acetylandrost-4-ene-3-one[16,17-d]-3'-methylpyrazole","","- C23 H30 N2 O3 -","- C23 H30 N2 O2 -","- C46 H60 N4 O4 -","2","1","AB1175","Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V.","<i>N</i>^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-<i>d</i>]pyrazole-3-one","Acta Crystallographica Section C","1994","50","12","2054","2056","10.1107/S0108270194004737","","","0.71069","MoKα","","0.0524","0.0513","","0.1284","0.127","","","","1.053","1.053","1.053","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010238","20.787","0.003","11.3823","0.0008","19.443","0.003","90","","97.1","0.02","90","","4565","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","H~2~omtaa","2,3,6,8,11,12,15,17-octamethyl-5,14-dihydro-5,9,14,18-tetraaza-dibenzo[a,h]- cyclotetradecene","","- C26 H32 N4 -","- C26 H32 N4 -","- C208 H256 N32 -","8","1","AB1194","Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.","A dibenzotetraaza[14]annulene","Acta Crystallographica Section C","1994","50","12","2037","2039","10.1107/S0108270194008206","","","0.71073","MoKα","","0.0941","0.0404","","0.0947","0.0749","","","","0.771","1.012","1.012","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010239","14.36","0.002","13.369","0.002","12.905","0.002","90","","99.95","0.01","90","","2440.2","0.6","293","","","","","","","","","","","5","C 1 2 1","C 2y","","","","","- C38 H60 N8 O8 S2 -","- C28.455 H52 N8 O8 S2 -","- C56.91 H104 N16 O16 S4 -","2","0.5","AS1088","In, Y.; Doi, M.; Inoue, M.; Ishida, T.","Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i>","Acta Crystallographica Section C","1994","50","12","2015","2017","10.1107/S0108270194000685","","","1.5418","CuKα","","","0.055","","","0.08","","","","","1.285","1.285","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2010240","10.74","0.002","17.606","0.004","19.775","0.004","90","","102.39","0.02","90","","3652.1","1.3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cl2 N12 O10 -","- C24 H42 Cl2 N12 O10 -","- C96 H168 Cl8 N48 O40 -","4","1","AS1097","Hu, N.-H.","A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle","Acta Crystallographica Section C","1994","50","12","2082","2085","10.1107/S0108270194003483","","","0.71069","MoKα","","","0.078","","","0.086","","","","","3.36","3.36","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010241","13.559","0.003","5.936","0.003","16.339","0.003","90","","107.8","0.02","90","","1252.1","0.7","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Cl N5 O5 -","- C6 H16 Cl N5 O5 -","- C24 H64 Cl4 N20 O20 -","4","2","AS1098","Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S.","<small>L</small>-Nitroarginine monohydrochloride monohydrate","Acta Crystallographica Section C","1994","50","12","2041","2043","10.1107/S0108270194004208","","","0.71069","MoKα","","","0.056","","","0.057","","","","","1.59","1.59","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010242","22.46","0.01","10.051","0.001","13.096","0.006","90","","90.65","0.03","90","","2956.2","1.9","297","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N4 O8 -","- C13 H10 N4 O8 -","- C104 H80 N32 O64 -","8","1","AS1101","Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L.","Molecular co-crystals of carboxylic acids. 18. 1:1 Adduct of 1,3,5-trinitrobenzene with 4-aminobenzoic acid","Acta Crystallographica Section C","1994","50","12","2079","2082","10.1107/S0108270194003835","","","0.71073","MoKα","","","0.049","","","0.043","","","","","2.05","2.05","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010243","5.44","0.001","10.108","0.001","11.484","0.002","90","","103.03","0.02","90","","615.22","0.17","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 Cl N5 O4 -","- C7 H16 Cl N5 O4 -","- C14 H32 Cl2 N10 O8 -","2","1","AS1106","Okabe, N.; Ikeda, K.; Kohyama, Y.","<i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride","Acta Crystallographica Section C","1994","50","12","2088","2089","10.1107/S0108270194004609","","","0.71069","MoKα","","","0.048","","","0.052","","","","","1.58","1.58","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010244","13.554","0.002","11.766","0.002","6.148","0.0008","90","","90","","90","","980.5","0.3","180","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 B N -","- C9 H20 B N -","- C36 H80 B4 N4 -","4","0.5","AS1111","Tham, W.-Y.; White, J.M.","1-Azabicyclo[4.4.0]decane borine adduct","Acta Crystallographica Section C","1994","50","12","2074","2076","10.1107/S0108270194005299","","","0.71069","MoKα","","","0.036","","","0.1","","","","","1.04","1.04","","","","","has coordinates","217882","2020-10-21","18:00:00",""
"2010245","5.506","0.001","9.754","0.002","20.339","0.002","90","","91.19","0.02","90","","1092.1","0.3","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","AS1112","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives","Acta Crystallographica Section C","1994","50","12","1998","2000","10.1107/S0108270194004749","","","0.71069","MoKα","","","0.047","","","0.053","","","","","1.57","1.57","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010246","16.94","0.002","5.68","0.001","17.388","0.001","90","","115.88","0.006","90","","1505.3","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O S2 -","- C15 H11 Cl N2 O S2 -","- C60 H44 Cl4 N8 O4 S8 -","4","1","AS1112","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives","Acta Crystallographica Section C","1994","50","12","1998","2000","10.1107/S0108270194004749","","","0.71069","MoKα","","","0.043","","","0.046","","","","","1.29","1.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010247","13.192","0.004","13.865","0.006","9.822","0.003","104.02","0.03","110.14","0.02","106.22","0.03","1501.1","1.1","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H56 F24 N8 O8 P4 Re2 -","- C42 H56 F24 N8 O8 P4 Re2 -","- C42 H56 F24 N8 O8 P4 Re2 -","1","0.5","AS1122","Takahira, T.; Umakoshi, K.; Sasaki, Y.","Di-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']rhenium(IV)} tetrakis(hexafluorophosphate) diacetone tetrahydrate","Acta Crystallographica Section C","1994","50","12","1870","1872","10.1107/S0108270194008267","","","0.71069","MoKα","","","0.045","","","0.051","","","","","1.73","1.73","","","","","has coordinates","191099","2020-10-21","18:00:00",""
"2010248","8.938","0.001","10.207","0.002","7.788","0.001","90","","90","","90","","710.5","0.18","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","DL-valine NCA","N-carboxy-DL-valine anhydride","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","AS1125","Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi","<small>DL</small>-Valine NCA","Acta Crystallographica Section C","1994","50","12","1950","1952","10.1107/S0108270194007067","","","1.5418","CuKα","","","0.069","","","0.113","","","","","1.084","1.084","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010249","9.674","0.002","21.597","0.006","19.174","0.002","90","","98.84","0.01","90","","3958.4","1.4","293","","23","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Au Cl P -","- C21 H21 Au Cl P -","- C168 H168 Au8 Cl8 P8 -","8","2","AS1129","Cookson, P. D.; Tiekink, E. R. T.","Chloro[tri(<i>p</i>-tolyl)phosphine]gold(I)","Acta Crystallographica Section C","1994","50","12","1896","1898","10.1107/S0108270194007821","","","0.7107","MoKα","","","0.036","","","0.029","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010250","20.908","0.008","13.088","0.004","12.884","0.004","102.65","0.02","95.94","0.03","77.05","0.03","3347","2","150","","150","","","","","","","","","5","P -1","-P 1","2","Octasodium Hydrogen Decatungstogadolinate Triacontahydrate","","","- Gd H61 Na8 O66 W10 -","- Gd Na8 O66 W10 -","- Gd2 Na16 O132 W20 -","2","1","AS1132","Yamase, Toshihiro; Ozeki, Tomoji; Tosaka, Minoru","Octasodium hydrogen decatungstogadolinate triacontahydrate","Acta Crystallographica Section C","1994","50","12","1849","1852","10.1107/S0108270194008255","","","0.71069","MoKα","","","0.065","","","0.086","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010251","9.829","0.003","11.632","0.004","14.482","0.003","90","","90","","90","","1655.7","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H20 O4 S -","- C18 H20 O4 S -","- C72 H80 O16 S4 -","4","1","BK1020","Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F.","(3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone","Acta Crystallographica Section C","1994","50","12","2093","2094","10.1107/S0108270194004762","","","1.5418","CuKα","","","0.039","","","0.058","","","","","2.49","2.49","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010252","12.125","0.002","7.593","0.002","15.216","0.003","90","","112.86","0.03","90","","1290.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro[6-methyl-2-N'-(2'-pyridylmethyl)pyridine-N,N']copper(II)","","- C12 H12 Cl2 Cu N2 -","- C12 H12 Cl2 Cu N2 -","- C48 H48 Cl8 Cu4 N8 -","4","1","BK1029","Garcia, A. M.; Manzur, J.; Spodine, E.; Baggio, R. F.; Garland, M. T.","Dichloro[6-methyl-2-(2-pyridylmethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","1994","50","12","1882","1884","10.1107/S010827019400716X","","","0.71073","MoKα","","0.0598","0.0476","","0.1229","0.1137","","","","1.123","1.163","1.163","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010253","11.978","0.001","13.2165","0.0008","10.375","0.002","106.387","0.008","106.95","0.01","75.253","0.006","1480.5","0.3","294","","294.2","","","","","","","","","6","P -1","-P 1","2","","Tris[2-(5'-bromo-2'-hydroxyphenyl)-2-oxazolinato]aluminum(III) methanol solvate","","- C28 H25 Al Br3 N3 O7 -","- C28 H25 Al Br3 N3 O7 -","- C56 H50 Al2 Br6 N6 O14 -","2","1","BK1052","Hoveyda, H. R.; Orvig, Chris; Rettig, Steven J.","<i>mer</i>-Tris[2-(5-bromo-2-hydroxyphenyl)-2-oxazolinato]aluminium(III) methanol solvate","Acta Crystallographica Section C","1994","50","12","1906","1909","10.1107/S0108270194007729","","","1.5418","CuKα","","","0.039","","","0.056","","","","","3.46","3.46","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010254","31.998","0.008","10.1595","0.0011","20.373","0.003","90","","111.557","0.017","90","","6160","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Spiro [2,2,3,3-tetrakis (3,5-dimethylpyrazolyl)cyclotriphosphazene - 1-phospha-2,5- diazacyclohexane]","","- C23 H36 N13 P3 -","- C23 H36 N13 P3 -","- C184 H288 N104 P24 -","8","1","BK1057","Cordes, A.W.; Folkert, S.; Bryan, C.D.; Chandrasekhar, V.; Thomas, K.R.J.","2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphaza-1,3,5-triene-6-spiro-2'-1',3'-diaza-2'-phosphacyclohexane, C~23~H~36~N~13~P~3~","Acta Crystallographica Section C","1994","50","12","1976","1978","10.1107/S0108270194007006","","","0.7093","MoKα","","0.135","0.052","","0.092","0.073","","","","","1.15","1.15","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010255","7.341","0.001","7.722","0.002","6.024","0.001","110.47","0.02","102.64","0.02","104.87","0.02","290.7","0.13","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C H7 N5 O3 -","- C H7 N5 O3 -","- C2 H14 N10 O6 -","2","1","BK1062","Akella, Annapoorna; Keszler, Douglas A.","Aminoguanidinium nitrate","Acta Crystallographica Section C","1994","50","12","1974","1976","10.1107/S0108270194007730","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.44","1.44","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010256","8.405","0.002","12.846","0.003","13.739","0.004","114.45","0.02","90.53","0.02","83.14","0.03","1339.4","0.6","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Mo2 N4 O10 S2 -","- C21 H24 Mo2 N4 O10 S2 -","- C42 H48 Mo4 N8 O20 S4 -","2","1","BR1062","Wang, X.; Zhang, X.-M.; Liu, H.-X.","Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH","Acta Crystallographica Section C","1994","50","12","1878","1880","10.1107/S0108270194003987","","","1.5418","CuKα","","","0.043","","","0.05","","","","","2.16","2.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010257","4.8217","0.0008","4.8217","0.0008","15.438","0.001","90","","90","","120","","310.83","0.08","296","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B In O3 -","- B In O3 -","- B6 In6 O18 -","6","0.166667","BR1064","Cox, J.R.; Keszler, D.A.","InBO~3~","Acta Crystallographica Section C","1994","50","12","1857","1859","10.1107/S0108270194003999","","","0.71069","MoKα","","","0.02","","","0.024","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010258","12.355","0.005","8.025","0.003","6.298","0.002","90","","90","","90","","624.4","0.4","300","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- N O3 Tl -","- N O3 Tl -","- N8 O24 Tl8 -","8","1","BR1066","Sastry, P.U.M.; Rajagopal, H.; Sequiera, A.","Thallous nitrate (III): a single-crystal neutron study","Acta Crystallographica Section C","1994","50","12","1854","1857","10.1107/S0108270194005469","","neutron","1.216","neutron","","","0.0165","","","0.039","","","","","1.473","1.473","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010259","12.454","0.01","12.454","0.01","18.066","0.011","90","","90","","90","","2802","4","130","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Sb10 Sr11 -","- Sb10 Sr11 -","- Sb40 Sr44 -","4","0.125","BR1073","Rehr, A.; Kauzlarich, S.M.","Sr~11~Sb~10~","Acta Crystallographica Section C","1994","50","12","1859","1861","10.1107/S0108270194003951","","","0.71073","MoKα","","","0.0799","","","0.0886","","","","","1.31","1.31","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010260","9.01","0.002","9.01","0.002","6.779","0.002","90","","90","","90","","550.3","0.2","293","1","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- B2 Ba0.265 Cu2 O6 Sr0.735 -","- B2 Ba Cu2 O6 Sr -","- B8 Ba4 Cu8 O24 Sr4 -","4","0.25","BR1074","Norrestam, R.; Carlson, S.; Sjödin, A.","Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~","Acta Crystallographica Section C","1994","50","12","1847","1849","10.1107/S0108270194007419","","","0.71073","MoKα","","","0.027","","","0.035","","","","","1","1","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010261","8.9692","0.0009","8.9692","0.0009","6.54","0.001","90","","90","","90","","526.12","0.11","293","1","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- B2 Ca0.339 Cu2 O6 Sr0.661 -","- B2 Ca Cu2 O6 Sr -","- B8 Ca4 Cu8 O24 Sr4 -","4","0.25","BR1074","Norrestam, R.; Carlson, S.; Sjödin, A.","Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~","Acta Crystallographica Section C","1994","50","12","1847","1849","10.1107/S0108270194007419","","","0.71073","MoKα","","","0.024","","","0.03","","","","","1.27","1.27","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010262","7.2796","0.0007","15.755","0.002","9.834","0.001","90","","91.087","0.009","90","","1127.7","0.2","298","","23","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","CD1035","Jasinski, Jerry P.; Paight, Ernest S.","7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form","Acta Crystallographica Section C","1994","50","12","1928","1930","10.1107/S0108270194003616","","","0.7107","MoKα","","","0.0445","","","0.0654","","","","","2.888","2.888","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010263","7.734","0.004","5.729","0.003","8.933","0.005","90","","106.72","0.04","90","","379.1","0.4","173","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C8 H6 S2 -","- C8 H6 S2 -","- C16 H12 S4 -","2","0.5","CD1056","Pelletier, M.; Brisse, F.","Bithiophene at 133 K","Acta Crystallographica Section C","1994","50","12","1942","1945","10.1107/S010827019301011X","","","0.710688","MoKᾱ","","","0.046","","","0.064","","","","","3.147","3.147","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010264","6.5687","0.0007","12.802","0.002","20.219","0.002","90","","97.26","0.01","90","","1686.6","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(methylethylenedithio)tetrathiafulvalene","","- C12 H12 S8 -","- C13 H18 S8 -","- C52 H72 S32 -","4","1","CR1087","Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B.","Bis(methylethylenedithio)tetrathiafulvalene","Acta Crystallographica Section C","1994","50","12","1958","1960","10.1107/S0108270194004142","","","1.5418","CopperKα","","","0.0738","","","","","","","","1.5576","1.5576","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010265","10.994","0.002","19.464","0.004","13.417","0.001","90","","109.4","0.01","90","","2708.1","0.8","220","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O4 S3 -","- C37 H48 O5 S3 -","- C148 H192 O20 S12 -","4","1","CR1100","Pang, L.; Brisse, F.","Tris(5-acetyl-3-thienyl)methane‒cyclononanone (1/1) inclusion compound","Acta Crystallographica Section C","1994","50","12","1947","1950","10.1107/S0108270194002489","","","1.54056","CuKα","","","0.055","","","0.059","","","","","2.44","2.44","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010266","11.828","0.002","10.284","0.002","11.79","0.002","90","","118.3","0.3","90","","1263","4","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","CR1103","Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K.","3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone","Acta Crystallographica Section C","1994","50","12","2030","2032","10.1107/S0108270194003501","","","1.5418","CuKα","","","0.081","","","0.081","","","","","1.14","1.14","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010267","10.292","0.002","11.219","0.001","12.481","0.002","90","","100.38","0.02","90","","1417.5","0.4","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O8 -","- C11 H12 N4 O8 -","- C44 H48 N16 O32 -","4","1","CR1106","Sommerer, S.O.; Westcott, B.L.; Friebe, T.L.; Abboud, K.A.","Di(2-pyridinio)methanediol dinitrate","Acta Crystallographica Section C","1994","50","12","2013","2015","10.1107/S0108270194004488","","","0.71073","MoKα","","","0.0481","","","0.0617","","","","","2.03","2.03","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010268","11.341","0.004","15.692","0.006","8.479","0.003","90","","90","","90","","1508.9","0.9","295","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Br N O3 -","- C14 H22 Br N O3 -","- C56 H88 Br4 N4 O12 -","4","1","CR1117","Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.","Two dimethylmorpholinium bromides","Acta Crystallographica Section C","1994","50","12","2022","2025","10.1107/S0108270194004518","","","0.71073","MoKα","","","0.0464","","","0.0468","","","","","2.176","2.176","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010269","8.451","0.003","13.535","0.002","12.915","0.002","90","","93.38","0.02","90","","1474.7","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 Br N O3 -","- C13 H22 Br N O3 -","- C52 H88 Br4 N4 O12 -","4","1","CR1117","Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.","Two dimethylmorpholinium bromides","Acta Crystallographica Section C","1994","50","12","2022","2025","10.1107/S0108270194004518","","","0.71073","MoKα","","","0.044","","","0.033","","","","","1.388","1.388","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2010270","9.477","0.002","21.712","0.004","12.683","0.003","90","","94.43","0.03","90","","2601.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetra(phenyl trimethylammonium) decabromohexacuprate(I)","","- C18 H28 Br5 Cu3 N2 -","- C18 H28 Br5 Cu3 N2 -","- C72 H112 Br20 Cu12 N8 -","4","1","CR1121","Hu, Guozhi; Holt, Elizabeth M.","Tetrakis(trimethylphenylammonium)octa-μ-bromo-dibromohexacuprate(I)","Acta Crystallographica Section C","1994","50","12","1890","1892","10.1107/S0108270194008450","","","0.71073","MoKα","","0.1469","0.0582","","0.168","0.1335","","","","0.736","0.939","0.939","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010271","19.132","0.002","6.717","0.001","3.891","0.002","90","","90","","90","","500","0.3","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","1-methylurazole","1-methyl-1,2,4-triazolidine-3,5-dione","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C12 H20 N12 O8 -","4","1","CR1122","Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D.","Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding","Acta Crystallographica Section C","1994","50","12","1925","1928","10.1107/S010827019400449X","","","0.71069","MoKα","","","0.026","","","0.032","","","","","1.47","1.47","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010272","18.316","0.001","8.27","0.001","7.438","0.001","90","","92.358","0.003","90","","1125.7","0.2","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-bis(dimethylamino)-3,5-diformylpyridine","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","0.5","CR1129","Lai, Long-Li; Liu, Ling-Kang; Shiao, Ming-Jen; Wen, Yuh-Sheng","2,6-Bis(dimethylamino)-3,5-pyridine-dicarbaldehyde","Acta Crystallographica Section C","1994","50","12","1931","1933","10.1107/S0108270194005652","","","0.7093","MoKα","","0.042","0.033","","0.042","0.041","","","","","2.28","2.28","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2010273","12.947","0.001","7.385","0.001","17.817","0.001","90","","95.965","0.008","90","","1694.3","0.3","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","CR1137","M. Gary Newton; Richard K. Hill","A C~20~ 2:3 formaldehyde‒cyclohexanone adduct","Acta Crystallographica Section C","1994","50","12","1969","1971","10.1107/S0108270194005743","","","1.5418","CuKα","","","0.048","","","0.056","","","","","4.16","4.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010274","12.572","0.003","14.442","0.003","7.916","0.001","90","","94.46","0.01","90","","1432.9","0.5","223","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5'-diallyl-2',4-dihydroxybiphenyl","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","CR1143","Michael J. Fullmer; R. Curtis Haltiwanger; Nelson Troupe; Drake S. Eggleston","Honokiol","Acta Crystallographica Section C","1994","50","12","1966","1967","10.1107/S0108270194005664","","","0.71073","MoKα","","","0.041","","","0.049","","","","","1.531","1.531","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2010275","11.288","0.007","11.288","0.007","8.013","0.002","90","","90","","120","","884.2","0.8","298","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Cl In K6 Te4 -","- Cl In K6 Te4 -","- Cl2 In2 K12 Te8 -","2","0.166667","DU1081","Sportouch, S.; Belin, C.; Tillard-Charbonnel, M.","K~5~InTe~4~.KCl","Acta Crystallographica Section C","1994","50","12","1861","1862","10.1107/S0108270194006141","","","0.7107","MoKα","","","0.0181","","","0.0227","","","","","0.912","0.912","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010277","5.9478","0.0005","6.7797","0.0003","24.3482","0.0011","90","","90","","90","","981.82","0.1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trans-1-methyl-3-amino-4-phenyl-2-azetidinone","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","FG1021","Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van","<i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O","Acta Crystallographica Section C","1994","50","12","1933","1935","10.1107/S0108270194007675","","","0.71073","MoKα","","","0.0391","","0.0971","0.0971","","","","1.03","1.03","1.03","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010278","9.108","0.001","11.405","0.002","17.482","0.002","90","","102.8","0.1","90","","1770.8","0.8","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","HA1062","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Ramakrishanan, V.T.","9-Methyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1994","50","12","2011","2013","10.1107/S0108270194002805","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.105","1.105","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010279","9.72","0.001","9.945","0.001","12.172","0.003","84.53","0.01","84.97","0.02","83.49","0.01","1160.2","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 N4 O -","- C22 H38 N4 O -","- C44 H76 N8 O2 -","2","1","HA1065","Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.","4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol","Acta Crystallographica Section C","1994","50","12","2007","2009","10.1107/S010827019400034X","","","1.5418","CuKα","","","0.061","","","0.071","","","","","0.53","0.53","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010280","10.798","0.002","10.771","0.003","14.235","0.004","90","","94.65","0.02","90","","1650.2","0.7","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C64 H92 Cl4 N8 O12 -","4","1","HA1066","Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.","4-Chloro-2,6-bis(morpholinomethyl)phenol","Acta Crystallographica Section C","1994","50","12","2009","2010","10.1107/S0108270194000351","","","1.5418","CuKα","","","0.052","","","0.076","","","","","0.73","0.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010281","7.873","0.003","5.771","0.002","8.813","0.002","90","","107.07","0.02","90","","382.8","0.2","173","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 S2 -","- C8 H6 S2 -","- C16 H12 S4 -","2","0.5","HA1074","Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B.","Redetermination of 2,2'-bithiophene","Acta Crystallographica Section C","1994","50","12","1941","1942","10.1107/S0108270194001149","","","0.71069","MoKα","","","0.056","","","0.072","","","","","2.8","2.8","","","","","has coordinates","198487","2020-10-21","18:00:00",""
"2010282","12.614","0.004","10.581","0.004","12.927","0.004","90","","95.62","0.02","90","","1717.1","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 S -","- C21 H18 O3 S -","- C84 H72 O12 S4 -","4","1","HA1085","Hellier, D. G.; Motevalli, M.","3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide","Acta Crystallographica Section C","1994","50","12","1968","1969","10.1107/S0108270193013241","","","0.71069","MoKα","","0.0814","0.0528","","0.1566","0.1459","","","","1.019","1.179","1.179","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010283","7.924","0.004","9.211","0.003","11.188","0.004","77.36","0.03","85.04","0.03","64.43","0.03","718.7","0.5","291","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cl N4 O2 S -","- C14 H11 Cl N4 O2 S -","- C28 H22 Cl2 N8 O4 S2 -","2","1","HA1087","Liu, M.; Ruble, J.R.; Arora, S.K.","Anticancer agent chloroquinoxaline sulfonamide","Acta Crystallographica Section C","1994","50","12","2032","2033","10.1107/S0108270194003331","","","0.71073","MoKα","","","0.057","","","0.057","","","","","1.56","1.56","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010284","12.2411","0.0015","8.0563","0.0009","15.354","0.002","90","","98.997","0.013","90","","1495.6","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 S2 -","- C15 H17 N O2 S2 -","- C60 H68 N4 O8 S8 -","4","1","HA1092","Muskett, F.W.; Sawyer, L.; Taylor, P.; Dawson, I.M.; Blake, A.J.","9-(1,3-Dithian-2-yl)-10-oxa-1-azatricyclo[7.4.0.0^3,8^]trideca-3,5,7-trien-2-one","Acta Crystallographica Section C","1994","50","12","2003","2004","10.1107/S0108270194003343","","","0.71073","MoKα","","","0.035","","","0.0498","","","","","1.303","1.303","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010285","7.17","0.004","8.057","0.002","14.953","0.014","84.87","0.04","89.04","0.06","69.85","0.04","807.6","0.9","200","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H40 N4 O6 -","- C36 H40 N4 O6 -","- C36 H40 N4 O6 -","1","1","HA1097","Barkigia, K.M.; Gottfried, D.S.","A new crystal form of methyl bacteriopheophorbide <i>a</i>","Acta Crystallographica Section C","1994","50","12","2069","2072","10.1107/S0108270194004786","","","1.5418","CuKα","","","0.076","","","0.092","","","","","1.85","1.85","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010286","7.49","0.002","21.689","0.003","11.17","0.006","90","","90","","90","","1814.6","1.1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C72 H48 O8 S16 -","8","1","HA1104","Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.","2,2'-Bithiophene-5-carbaldehyde","Acta Crystallographica Section C","1994","50","12","1945","1947","10.1107/S0108270194004798","","","0.71069","MoKα","","","0.065","","","0.066","","","","","1.6","1.6","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010287","11.947","0.003","8.3","0.003","11.031","0.003","90","","90.74","0.02","90","","1093.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methylthioamidotetrathiafulvalene","","- C8 H7 N S5 -","- C8 H7 N S5 -","- C32 H28 N4 S20 -","4","1","HA1115","Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Heaton, Julie N.","<i>N</i>-Methylthiocarbamoyltetrathiafulvalene at 150 K","Acta Crystallographica Section C","1994","50","12","1956","1958","10.1107/S0108270194006827","","","0.71073","MoKα","","0.0509","0.029","","0.0993","0.0722","","","","1.07","1.068","1.068","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010288","16.79","0.0011","12.6423","0.0008","11.1014","0.0006","90","","94.31","0.06","90","","2349.8","0.3","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(1-aminopyrrolylmethylene)-Meldrum's acid","5-(1-aminopyrrolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","2","HA1120","Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark","Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid","Acta Crystallographica Section C","1994","50","12","1935","1938","10.1107/S0108270194007213","","","1.54184","CuKα","","0.1088","0.0563","","0.1761","0.1475","","","","1.079","1.192","1.192","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010289","5.4407","0.001","10.341","0.002","10.714","0.002","107.351","0.007","96.814","0.011","100.9","0.015","555.04","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","5-(1-aminopyrazolylmethylene)-Meldrum's acid","5-(1-aminopyrazolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C20 H22 N6 O8 -","2","1","HA1120","Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark","Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid","Acta Crystallographica Section C","1994","50","12","1935","1938","10.1107/S0108270194007213","","","0.71073","MoKα","","0.0409","0.0318","","0.0787","0.0691","","","","0.187","0.181","0.181","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010290","19.263","0.01","3.886","0.003","5.902","0.003","90","","90","","90","","441.8","0.5","150","0.2","150","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","α-pyrone","α-pyrone","","- C5 H4 O2 -","- C5 H4 O2 -","- C20 H16 O8 -","4","1","HA1121","Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon","α-Pyrone at 150 K","Acta Crystallographica Section C","1994","50","12","1938","1940","10.1107/S0108270194007225","","","0.71073","MoKα","","0.0544","0.047","","0.2149","0.1535","","","","1.242","1.251","1.251","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010291","7.106","0.002","11.335","0.002","11.817","0.002","90","","105.3","0.01","90","","918.1","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxy-4-methylcoumarin monohydrate","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","HH1047","Jasinski, Jerry P.; Woudenberg, Richard C.","7-Hydroxy-4-methylcoumarin monohydrate","Acta Crystallographica Section C","1994","50","12","1952","1953","10.1107/S0108270194005822","","","0.71069","MoKα","","","0.039","","","0.045","","","","","1.741","1.741","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010292","7.157","0.001","9.566","0.001","6.92","0.001","95.13","0.01","110.11","0.01","71.78","0.01","422.49","0.1","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","HH1048","Jasinski, Jerry P.; Woudenberg, Richard C.","7-Amino-4-methylcoumarin","Acta Crystallographica Section C","1994","50","12","1954","1956","10.1107/S0108270194005834","","","0.71069","MoKα","","","0.041","","","0.05","","","","","1.901","1.901","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010293","17.223","0.006","12.904","0.006","21.073","0.004","90","","107.44","0.02","90","","4468","3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C14 H10 O4 S2 -","- C16.6667 H15.3333 O4.66667 S2 -","- C200 H184 O56 S24 -","12","1.5","HH1069","Kresinski, R. A.; Fackler Jr, J. P.","2,2'-Dithiodisalicyclic acid tetrahydrofuran solvate","Acta Crystallographica Section C","1994","50","12","2039","2041","10.1107/S0108270193012223","","","0.71073","MoKα","","","0.05","","","0.0505","","","","","1.413","1.413","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010294","11.519","0.001","15.6","0.001","32.258","0.002","90","","90","","90","","5796.6","0.7","290","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18- dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione","","- C33 H40 O7 -","- C33 H38.5 O7 -","- C264 H308 O56 -","8","2","HH1073","Gao, Q.; Mayerl, F.","Eupenifeldin","Acta Crystallographica Section C","1994","50","12","2033","2036","10.1107/S0108270194002817","","","1.5418","CuKα","","","0.054","","","0.055","","","","","1.852","1.852","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010295","6.061","0.001","11.439","0.001","18.858","0.002","90","","90","","90","","1307.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-(-)-(R)-β-styryl p-tolyl sulfoxide","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","HR1014","Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude","(<i>Z</i>)-(‒)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide","Acta Crystallographica Section C","1994","50","12","1980","1981","10.1107/S0108270194007092","","","1.54178","CuKα","","0.0486","0.0432","","0.1203","0.1164","","","","1.048","1.083","1.083","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010296","6.647","0.003","21.162","0.003","7.737","0.003","90","","112.02","0.03","90","","1008.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[diamminesilver(I)] Bis(biuretato-N^1^,N^5^)nickelate(II) Hexahydrate","","- C4 H30 Ag2 N10 Ni O10 -","- C4 H30 Ag2 N10 Ni O10 -","- C8 H60 Ag4 N20 Ni2 O20 -","2","0.5","HR1030","Pajunen, A.; Pajunen, S.","Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate","Acta Crystallographica Section C","1994","50","12","1884","1886","10.1107/S0108270194006505","","","0.71069","MoKα","","0.0663","0.0499","","0.1614","0.1361","","","","1.089","1.132","1.132","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010297","10.647","0.002","17.004","0.003","11.623","0.002","90","","92.61","0.03","90","","2102.1","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Bi O9 -","- C21 H21 Bi O9 -","- C84 H84 Bi4 O36 -","4","1","HU1084","Burgess, J.; Fawcett, J.; Parsons, S.A.; Russell, D.R.","Tris(ethylmaltolato)bismuth(III)","Acta Crystallographica Section C","1994","50","12","1911","1913","10.1107/S0108270194006463","","","0.71069","MoKα","","","0.0466","","","0.0469","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010298","15.9","0.004","8.456","0.002","9.725","0.003","90","","121.19","0.02","90","","1118.5","0.6","295","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","guanidinium pentafluoroantimonate","","- C2 H12 F5 N6 Sb -","- C2 H12 F5 N6 Sb -","- C8 H48 F20 N24 Sb4 -","4","0.5","HU1085","Małuszyńska, Hanna","Guanidinium pentafluoroantimonate","Acta Crystallographica Section C","1994","50","12","1909","1911","10.1107/S0108270194007936","","","0.71069","MoKα","","","0.0231","","","0.0314","","","","","1.91","1.91","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010299","10.065","0.005","15.372","0.003","14.488","0.003","90","","107.25","0.03","90","","2140.7","1.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O3 S2 -","- C24 H20 N2 O3 S2 -","- C96 H80 N8 O12 S8 -","4","1","HU1086","Beddoes, R.L.; Kettle, J.G.; Joule, J.A.","A 3-phenylsulfinyl-1-phenylsulfonylindole","Acta Crystallographica Section C","1994","50","12","1989","1992","10.1107/S0108270194003902","","","1.54178","CuKα","","","0.062","","","0.077","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010300","8.7031","0.0008","7.3745","0.0003","9.1677","0.0004","90","","97.694","0.005","90","","583.1","0.06","295","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O2 -","- C13 H21 N O2 -","- C26 H42 N2 O4 -","2","0.5","HU1092","Garcia, J.G.; Enas, J.D.; Fronczek, F.R.","2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione","Acta Crystallographica Section C","1994","50","12","2025","2027","10.1107/S0108270194005238","","","1.54184","CuKα","","","0.044","","","0.068","","","","","3.558","3.558","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010301","14.3","0.001","18.202","0.001","23.347","0.001","90","","90","","90","","6077","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl N Pd -","- C37 H32 Cl N Pd -","- C296 H256 Cl8 N8 Pd8 -","8","1","HU1095","Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E.","Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)]","Acta Crystallographica Section C","1994","50","12","1872","1873","10.1107/S0108270194006475","","","0.71069","MoKα","","","0.052","","","0.041","","","","","3.62","3.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010302","6.411","0.001","9.564","0.002","10.637","0.002","90","","90","","90","","652.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","methyltin(IV)trichlorine","Methyltin(IV) Trichloride","","- C H3 Cl3 Sn -","- C H3 Cl3 Sn -","- C4 H12 Cl12 Sn4 -","4","0.5","HU1116","Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar","Trichloromethyltin(IV)","Acta Crystallographica Section C","1994","50","12","1904","1906","10.1107/S010827019400795X","","","0.71073","MoKα","","0.0477","0.0446","","0.0862","0.086","","","","4.139","4.308","4.308","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010303","6.193","0.002","10.609","0.002","15.492","0.004","90","","86.42","0.02","90","","1015.9","0.5","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","HU1124","Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.","Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift","Acta Crystallographica Section C","1994","50","12","2085","2087","10.1107/S0108270194006074","","","0.70926","MoKα","","","0.0407","","","0.0429","","","","","0.241","0.241","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010304","5.972","0.002","23.103","0.011","14.4","0.005","90","","102.91","0.03","90","","1936.6","1.3","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl6 N4 O5 S2 Zn -","- C6 H10 Cl6 N4 O5 S2 Zn -","- C24 H40 Cl24 N16 O20 S8 Zn4 -","4","1","KA1068","Potočňák, I.; Dunaj-Jurčo, M.; Petříček, V.; Černák, J.","Bis(thiourea-κ<i>S</i>)bis(trichloroacetato-κ<i>O</i>)zinc(II) monohydrate","Acta Crystallographica Section C","1994","50","12","1902","1904","10.1107/S0108270194004063","","","0.5609","AgKα","","","0.0572","","","0.0564","","","","","8.335","8.335","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010305","7.144","0.002","11.328","0.003","32.658","0.009","90","","90","","90","","2642.9","1.3","291","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 Pb S2 -","- C26 H24 O9 Pb S2 -","- C104 H96 O36 Pb4 S8 -","4","1","KA1085","Huber, F.; Remer, J.; Schürmann, M.","Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1)","Acta Crystallographica Section C","1994","50","12","1913","1915","10.1107/S0108270194007808","","","0.71073","MoKα","","","0.036","","","0.067","","","","","0.99","0.99","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010306","7.373","0.002","7.546","0.003","10.579","0.003","90","","90","","90","","588.6","0.3","299","","299","","","","","","","","","4","C m c m","-C 2c 2","63","glycoluril","tetrahydroimidazo [4,5-d] imidazole-2,5 (1H, 3H)-dione","","- C4 H6 N4 O2 -","- C4 H6 N4 O2 -","- C16 H24 N16 O8 -","4","0.25","KA1088","Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B.","Glycoluril","Acta Crystallographica Section C","1994","50","12","1988","1989","10.1107/S0108270194006955","","","0.71073","MoKα","","0.0479","0.0405","","0.1246","0.1163","","","","1.081","1.114","1.114","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010307","13.673","0.002","28.3","0.002","8.314","0.005","90","","90","","90","","3217","2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C26 H33 Cl N4 O12 -","- C26 H33 Cl N4 O12 -","- C104 H132 Cl4 N16 O48 -","4","1","LI1072","Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~","Acta Crystallographica Section C","1994","50","12","1972","1974","10.1107/S0108270193013514","","","0.7107","MoKα","","","0.06","","","0.06","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010308","12.118","0.003","13.723","0.003","11.807","0.002","101.64","0.02","119.22","0.04","87.42","0.01","1675.1","0.9","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H15 Br -","- C24 H15 Br -","- C96 H60 Br4 -","4","2","LI1080","Conole, G.; O'Donovan, G.J.; Shepherd, M.K.","5-Bromo-12-phenyltetracene","Acta Crystallographica Section C","1994","50","12","1992","1995","10.1107/S0108270194002878","","","0.71069","MoKα","","","0.0564","","","0.0552","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010309","8.151","0.001","10.648","0.001","18.33","0.002","90","","90","","90","","1590.9","0.3","83","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","LI1083","Zukerman-Schpector, J.","6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~","Acta Crystallographica Section C","1994","50","12","2076","2077","10.1107/S0108270194000697","","","0.71073","MoKα","","","0.038","","","0.039","","","","","1.42","1.42","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010310","21.217","0.002","11.555","0.001","13.079","0.002","90","","108.61","0.01","90","","3038.8","0.6","292","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C128 H128 N32 O8 S8 -","8","1","LI1084","Zukerman-Schpector, J.","A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative","Acta Crystallographica Section C","1994","50","12","2077","2079","10.1107/S010827019400288X","","","0.71073","MoKα","","","0.037","","","0.041","","","","","1.58","1.58","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010311","11.007","0.002","7.726","0.001","12.194","0.002","90","","115.71","0.02","90","","934.3","0.3","292","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","LI1085","Zukerman-Schpector, J.; Barreiro, E.J.; Freitas, A.C.C.","Structures of pyrazole derivatives. III. 5-Amino-4-cyano-1-phenylpyrazole","Acta Crystallographica Section C","1994","50","12","2095","2096","10.1107/S0108270193014556","","","0.71073","MoKα","","","0.0429","","","0.0434","","","","","1.33","1.33","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010312","9.997","0.002","12.78","0.002","21.163","0.004","90","","90","","90","","2703.8","0.9","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O4 -","- C31 H41 N O4 -","- C124 H164 N4 O16 -","4","1","LI1089","Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K.","Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid","Acta Crystallographica Section C","1994","50","12","2089","2093","10.1107/S0108270194003008","","","0.71069","MoKα","","","0.048","","","0.051","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010313","9.293","0.001","10.189","0.002","15.259","0.002","90","","90","","90","","1444.8","0.4","105","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","LI1093","Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M.","(‒)-Norcocaine","Acta Crystallographica Section C","1994","50","12","2067","2069","10.1107/S0108270194003367","","","0.7093","MoKα","","","0.04","","","0.05","","","","","1.98","1.98","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010314","13.183","0.005","7.831","0.002","9.213","0.004","90","","95.11","0.02","90","","947.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-ethylthio-5-methyl-cyclododeca-6,7,8,9,10,11,12,13,14,15-decahydro [b]indole,","","- C21 H31 N S -","- C21 H31 N S -","- C42 H62 N2 S2 -","2","1","LI1099","Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte","2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[<i>b</i>]indole: an unexpected product from the demethylation of an indole using Fujita's reagent","Acta Crystallographica Section C","1994","50","12","1916","1919","10.1107/S0108270194003100","","","1.54056","X-rayCuKα~1~","","0.0601","0.0326","","0.092","0.0716","","","","0.949","1.013","1.013","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010315","13.706","0.006","9.908","0.004","8.126","0.003","90","","105.29","0.03","90","","1064.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Dihydro-8-methyl-9H-carbazol-4(3H)-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","LI1111","Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte","1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction","Acta Crystallographica Section C","1994","50","12","1919","1922","10.1107/S0108270194002611","","","1.54056","CuK-α~1~","","0.116","0.083","","0.3721","0.2314","","","","1.074","1.114","1.114","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010316","32.649","0.008","6.1165","0.0007","29.739","0.003","90","","124.36","0.01","90","","4902.5","1.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-1-(4-Iodophenyl)-1-(4-(2'-pyrrolidinoethoxy)phenyl)-2-phenylbutene","","- C28 H30 I N O -","- C28 H30 I N O -","- C224 H240 I8 N8 O8 -","8","1","LI1116","Nunn, Christine M.; Parker, Esther J.","<i>trans</i>-1-(4-Iodophenyl)-2-phenyl-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butene, C~28~H~30~INO","Acta Crystallographica Section C","1994","50","12","2043","2045","10.1107/S0108270194008309","","","0.71069","MoKα","","0.032","0.028","","0.042","0.041","","","","1.58","1.63","1.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010317","16.895","0.003","10.108","0.004","14.15","0.004","90","","102.6","0.02","90","","2358.3","1.2","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C30 H24 Br2 Cl2 Cu S24 -","- C30 H24 Br4 Cl4 Cu S24 -","- C60 H48 Br8 Cl8 Cu2 S48 -","2","0.5","MU1086","Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.","(BEDT-TFF)~3~[CuBr~2~Cl~2~]","Acta Crystallographica Section C","1994","50","12","1892","1894","10.1107/S0108270194005536","","","0.71069","MoKα","","","0.036","","","0.034","","","","","0.95","0.95","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010318","17.001","0.003","10.14","0.002","14.178","0.003","90","","102.75","0.03","90","","2383.9","0.9","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C30 H24 Br4 Cu S24 -","- C30 H24 Br4 Cu S24 -","- C60 H48 Br8 Cu2 S48 -","2","0.5","MU1087","Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.","(BEDT-TTF)~3~[CuBr~4~]","Acta Crystallographica Section C","1994","50","12","1894","1896","10.1107/S0108270194005548","","","0.71069","MoKα","","","0.034","","","0.037","","","","","0.97","0.97","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010319","9.4528","0.0014","11.4874","0.0018","15.494","0.002","72.056","0.013","87.55","0.012","74.118","0.012","1537.9","0.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60 Mo2 O8 P4 -","- C66 H60 Mo2 O8 P4 -","- C66 H60 Mo2 O8 P4 -","1","0.5","MU1095","Ueng, C.-H.; Hwang, J.-L.","<i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1994","50","12","1866","1868","10.1107/S0108270194005573","","","0.71073","MoKα","","","0.041","","","0.044","","","","","1.99","1.99","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010320","7.5371","0.0007","7.7348","0.0007","8.5907","0.0008","79.031","0.007","81.474","0.008","64.451","0.007","442.35","0.08","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Cr2 O6 -","- C18 H14 Cr2 O6 -","- C18 H14 Cr2 O6 -","1","0.5","MU1098","Chen, W.; Goh, L.Y.; Tay, M.S.","Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>)","Acta Crystallographica Section C","1994","50","12","1874","1875","10.1107/S0108270194005585","","","0.71073","MoKα","","","0.03","","","0.035","","","","","0.587","0.587","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010321","9.532","0.004","12.696","0.005","13.116","0.004","86.13","0.03","84.09","0.03","80.51","0.03","1555.2","1","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Au2 P2 S4 -","- C24 H38 Au2 P2 S4 -","- C48 H76 Au4 P4 S8 -","2","1","MU1100","Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P.","Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~]","Acta Crystallographica Section C","1994","50","12","1898","1900","10.1107/S0108270194005780","","","0.71073","MoKα","","","0.035","","","0.0395","","","","","1.218","1.218","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010322","8.384","0.004","17.147","0.004","14.889","0.004","90","","99.26","0.03","90","","2112.6","1.3","296","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium] hexachlorodicuprate","","- C34 H42 Cl6 Cu2 N8 O6 -","- C34 H42 Cl6 Cu2 N8 O6 -","- C68 H84 Cl12 Cu4 N16 O12 -","2","0.5","MU1126","Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen","Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate","Acta Crystallographica Section C","1994","50","12","1886","1888","10.1107/S0108270194007572","","","0.71073","MoKα","","","0.056","","","0.056","","","","","0.656","0.656","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010323","10.65","0.001","13.895","0.001","13.892","0.001","90","","99.55","0.01","90","","2027.3","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Co N3 O12 -","- C15 H18 Co N3 O12 -","- C60 H72 Co4 N12 O48 -","4","1","MU1135","Sharma, Raj P.; Gupta, Vijay; Bhasin, Kuldip K.; Quirós, Miguel; Salas, Juan M.","Structural analogues of ferroverdin. Tris(methyl isonitrosoacetoacetato)cobalt(III)","Acta Crystallographica Section C","1994","50","12","1875","1878","10.1107/S0108270194007596","","","0.71073","MoKα","","","0.056","","","0.084","","","","","0.92","0.92","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010324","5.508","0.001","10.828","0.002","14.363","0.003","90","","90","","90","","856.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,6H)-dione monohydrate","","- C6 H12 N4 O3 -","- C6 H12 N4 O3 -","- C24 H48 N16 O12 -","4","1","NA1080","Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T.","1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate","Acta Crystallographica Section C","1994","50","12","2056","2058","10.1107/S0108270194004555","","","0.71069","MoKα","","0.0755","0.0563","","0.1675","0.1503","","","","1.08","1.087","1.087","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010325","5.154","0.004","14.253","0.005","10.4","0.005","90","","99.61","0.06","90","","753.3","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-5-nitro-2-furanacrylic acid","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C28 H20 N4 O20 -","4","1","NA1083","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","<i>trans</i>-5-Nitro-2-furanacrylic acid","Acta Crystallographica Section C","1994","50","12","1930","1931","10.1107/S0108270194007924","","","0.71069","MoKα","","","0.041","","","0.053","","","","","1.033","1.033","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010326","29.464","0.007","13.861","0.004","8.515","0.002","90","","90","","90","","3477.5","1.5","293","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","NA1085","Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo","Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O","Acta Crystallographica Section C","1994","50","12","2096","2098","10.1107/S0108270194004968","","","1.54178","CuKα","","","0.0564","","","0.0453","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010327","12.925","0.003","14.16","0.004","23.97","0.006","90","","90","","90","","4386.9","1.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","30-dechloro-30-methoxy-25-O-methyl-N-methylnaphthomycin A","","- C44 H59 N O12 -","- C44 H50 N O12 -","- C176 H200 N4 O48 -","4","1","NA1096","Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter","30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A","Acta Crystallographica Section C","1994","50","12","2060","2064","10.1107/S0108270194008140","","","0.71069","MoKα","","0.1771","0.0931","","0.0875","0.0828","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010328","14.663","0.001","10.109","0.001","14.837","0.001","80.76","0.01","81.71","0.01","80.71","0.01","2126.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C88 H104 N8 O16 -","2","1","NA1104","Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques","Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives","Acta Crystallographica Section C","1994","50","12","1982","1985","10.1107/S0108270194005421","","","1.5418","CuKα","","0.1072","0.0691","","0.2215","0.2002","","","","1.006","1.255","1.255","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010329","18.075","0.003","17.946","0.002","9.658","0.002","90","","90.04","0.01","90","","3132.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 N6 O12 -","- C66 H78 N6 O12 -","- C132 H156 N12 O24 -","2","0.5","NA1104","Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques","Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives","Acta Crystallographica Section C","1994","50","12","1982","1985","10.1107/S0108270194005421","","","1.5418","CuKα","","0.0893","0.0564","","0.1629","0.1512","","","","1.035","1.245","1.245","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010330","9.119","0.002","11.039","0.002","17.971","0.001","90","","101.07","0.01","90","","1775.4","0.5","23","","23","","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-bis(triphenylphosphine)(maleonitriledithiolato)palladium","","- C40 H30 N2 P2 Pd S2 -","- C40 H30 N2 P2 Pd S2 -","- C80 H60 N4 P4 Pd2 S4 -","2","1","NA1118","Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi","A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)]","Acta Crystallographica Section C","1994","50","12","1880","1882","10.1107/S0108270194008516","","","0.7107","MolybdenumKα","","","0.046","","","0.057","","","","","2.44","2.44","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010331","6.549","0.002","6.918","0.003","8.04","0.004","83.22","0.04","68.64","0.04","68.7","0.03","316","0.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl2 N2 Pt -","- C2 H8 Cl2 N2 Pt -","- C4 H16 Cl4 N4 Pt2 -","2","1","OH1064","Ellis, L.T.; Hambley, T.W.","Dichloro(ethylenediamine)platinum(II)","Acta Crystallographica Section C","1994","50","12","1888","1889","10.1107/S0108270194006840","","","0.71069","MoKα","","","0.02","","","0.024","","","","","1.03","1.03","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010332","6.443","0.002","7.476","0.002","8.058","0.003","72.27","0.02","80.82","0.03","76.23","0.02","357.5","0.2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N2 O5 -","- C5 H8 N2 O5 -","- C10 H16 N4 O10 -","2","1","OH1065","Zvargulis, Evan S.; Hambley, Trevor W.","Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid","Acta Crystallographica Section C","1994","50","12","2058","2060","10.1107/S0108270194006852","","","0.71069","MoKα","","","0.03","","","0.043","","","","","4.88","4.88","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010333","7.85","0.003","23.17","0.01","7.212","0.003","90","","110.64","0.03","90","","1227.6","0.9","273","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","PA1089","Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G.","<i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide","Acta Crystallographica Section C","1994","50","12","1960","1962","10.1107/S0108270194001514","","","0.7107","MoKᾱ","","","0.056","","","0.054","","","","","1.445","1.445","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010334","10.041","0.002","17.962","0.002","7.259","0.003","90","","90","","90","","1309.2","0.6","295","2","295","2","","","","","","","","3","P c a 21","","","","","","- C12 H22 S2 -","- C12 H22 S2 -","- C48 H88 S8 -","4","1","PA1102","Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini","Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane","Acta Crystallographica Section C","1994","50","12","2098","2100","10.1107/S0108270194005950","","","1.5418","CuKα","","","0.066","","","0.068","","","","","0.731","0.731","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010335","11.519","0.003","13.456","0.003","5.974","0.001","90","","90","","90","","926","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C Ba3 F7 O3 Sc -","- C Ba3 F7 O3 Sc -","- C4 Ba12 F28 O12 Sc4 -","4","0.25","","N. Mercier; Marc Leblanc","A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~","Acta Crystallographica Section C","1994","50","","1862","1864","","","","","","","","0.0248","","","0.0659","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010337","12.849","0.003","12.675","0.003","15.076","0.003","90","","103.95","0.05","90","","2382.9","1.1","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O10 -","- C28 H21 N O10 -","- C112 H84 N4 O40 -","4","1","SE1045","Paulus, E.F.; Dornberger, K.; Werner, W.; Fenske, D.","Madurahydroxylactone","Acta Crystallographica Section C","1994","50","12","2064","2067","10.1107/S0108270194003185","","","0.71073","MoKα","","","0.149","","","0.12","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010338","7.1189","0.0004","25.685","0.003","11.1476","0.0009","90","","98.641","0.006","90","","2015.2","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Chloro-3,6-dioxaoctyl-(E,E)-3-(3,5-dichloro-2-hydroxyphenylazo)-2-chloro- 2-but-enoat","","- C16 H18 Cl4 N2 O5 -","- C16 H18 Cl4 N2 O5 -","- C64 H72 Cl16 N8 O20 -","4","1","SE1046","Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus","8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate","Acta Crystallographica Section C","1994","50","12","2072","2074","10.1107/S0108270194000879","","","1.54184","CuKα","","","0.045","","","0.071","","","","","2.459","2.459","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010339","13.58","0.002","6.437","0.001","5.895","0.001","90","","92.12","0.01","90","","514.96","0.14","293","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","0.25","SE1048","Irngartinger, H.; Strack, S.","Dimethyl cubane-1,4-dicarboxylate","Acta Crystallographica Section C","1994","50","12","2017","2019","10.1107/S0108270194004634","","","0.71073","MoKα","","","0.049","","","0.059","","","","","2.79","2.79","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010340","6.592","0.001","9.831","0.001","18.053","0.001","90","","97","0.01","90","","1161.2","0.2","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl3 N3 O6 -","- C20 H24 Cl3 N3 O6 -","- C40 H48 Cl6 N6 O12 -","2","1","SE1052","Bolte, M.","A deoxyuridine derivative","Acta Crystallographica Section C","1994","50","12","2045","2047","10.1107/S0108270194005470","","","1.5418","CuKα","","","0.069","","","0.081","","","","","2.29","2.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010341","9.936","0.001","9.936","0.001","52.27","0.01","90","","90","","120","","4469","1.1","293","1","293","1","","","","","","","","4","P 65","P 65","170","","(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-tetrahydrocyclobuta[1,2-c:4,3-c'] bis[1]benzothiopyran-6,7-dione","","- C18 H12 O2 S2 -","- C18 H12 O2 S2 -","- C216 H144 O24 S24 -","12","2","SE1053","Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul","(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione","Acta Crystallographica Section C","1994","50","12","1922","1924","10.1107/S0108270194005482","","","1.54178","CuKα","","0.0784","0.0663","","0.21","0.1817","","","","1.045","0.996","0.996","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010342","9.208","0.001","5.391","0.001","14.343","0.002","90","","106.8","0.01","90","","681.6","0.18","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","SH1091","Mizuguchi, J.; Zambounis, J.S.; Rihs, G.","2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane","Acta Crystallographica Section C","1994","50","12","2004","2007","10.1107/S0108270194002635","","","0.70926","MoKα","","","0.03","","","0.033","","","","","1.12","1.12","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010343","8.616","0.003","10.435","0.002","16.162","0.004","90","","90.63","0.03","90","","1453","0.7","245","1","245","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-formyl-1,1,2,4,4,7-hexamethyltetralin","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","1","SH1094","De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk","Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)","Acta Crystallographica Section C","1994","50","12","1962","1966","10.1107/S0108270194002647","","","1.5418","CuKα","","0.064","0.064","","0.084","0.084","","","","0.221","0.221","0.221","","","","warnings","has coordinates,has disorder","249445","2020-10-21","18:00:00",""
"2010344","10.366","0.001","8.715","0.001","15.984","0.002","90","","95.63","0.009","90","","1437","0.3","252","","252","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-formyl-1,1,4,4,5,7-hexamethyltetralin","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","1","SH1094","De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk","Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)","Acta Crystallographica Section C","1994","50","12","1962","1966","10.1107/S0108270194002647","","","1.5418","CuKα","","0.099","0.099","","0.117","0.117","","","","0.235","0.235","0.235","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010345","15.224","0.002","6.068","0.001","14.968","0.001","90","","90.87","0.01","90","","1382.6","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","SH1096","Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D.","2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine","Acta Crystallographica Section C","1994","50","12","1986","1988","10.1107/S0108270194003574","","","0.71073","MoKα","","","0.039","","","0.046","","","","","4.63","4.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010346","7.717","0.006","7.371","0.011","14.901","0.018","90","","94.38","0.1","90","","845.1","1.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1H-3-benzazepine","","- C16 H18 Cl3 N O3 -","- C16 H18 Cl3 N O3 -","- C32 H36 Cl6 N2 O6 -","2","1","SH1101","Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F.","(+)-<i>N</i>-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepine at 153 K","Acta Crystallographica Section C","1994","50","12","1978","1980","10.1107/S010827019400538X","","","0.71073","MoKα","","0.0339","0.0328","","0.0858","0.0841","","","","1.078","1.079","1.079","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010347","9.7224","0.0016","11.335","0.003","18.0256","0.0015","90","","102.081","0.011","90","","1942.5","0.6","290","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C18 H15 F6 Fe P S2 -","- C18 H15 F6 Fe P S2 -","- C72 H60 F24 Fe4 P4 S8 -","4","1","ST1085","Christie, Sean; Piórko, Adam; Zaworotko, Michael J.","(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate","Acta Crystallographica Section C","1994","50","12","1868","1870","10.1107/S0108270194008383","","","0.7093","MoKα","","","0.058","","","0.062","","","","","4.67","4.67","","","","","has coordinates","190975","2020-10-21","18:00:00",""
"2010348","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","","Koskenlinna, Markus; Valkonen, Jussi","Lead Diselenite","Acta Crystallographica Section C","1995","51","","01","03","","","","","","","","0.034","","","0.043","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010351","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica Section C","1995","51","","134","135","","","","","","","","0.0401","","","0.1064","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010353","16.866","0.002","14.9176","0.0014","19.273","0.003","90","","98.022","0.012","90","","4801.6","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris(triphenyltin)borate","Tris(triphenyltin)borate, B(OSnPh~3~)~3~","","- C54 H45 B O3 Sn3 -","- C54 H45 B O3 Sn3 -","- C216 H180 B4 O12 Sn12 -","4","1","AB1217","Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T.","Tris(triphenyltin)borate","Acta Crystallographica Section C","1995","51","1","67","70","10.1107/S0108270194010012","","","0.71069","MolybdenumKα","","0.067","0.03","","0.047","0.039","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010354","7.804","0.001","11.754","0.002","14.443","0.002","90","","103.57","0.02","90","","1287.8","0.3","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","AL1034","Dey, I.; Banerjee, A.","7β,8β-Epoxyfriedelane","Acta Crystallographica Section C","1995","51","1","119","121","10.1107/S0108270194003082","","","1.54182","CuKα","","","0.064","","","0.062","","","","","1.855","1.855","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010355","7.54","0.003","16.761","0.006","8.65","0.003","90","","99.56","0.02","90","","1078","0.7","293","","","","","","","","","","","6","P 1 a 1","P -2ya","","","","","- C10 H20 Mo2 N2 Na2 O16 -","- C10 H19 Mo2 N2 Na2 O16 -","- C20 H38 Mo4 N4 Na4 O32 -","2","1","AL1041","Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.","Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate","Acta Crystallographica Section C","1995","51","1","32","34","10.1107/S0108270193012168","","","0.71069","MoKα","","","0.043","","","0.051","","","","","1.1","1.1","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010356","8.875","0.002","9.826","0.002","26.468","0.005","90","","90","","90","","2308.2","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br O2 P -","- C26 H28 Br O2 P -","- C104 H112 Br4 O8 P4 -","4","1","BK1011","Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.","[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br","Acta Crystallographica Section C","1995","51","1","105","107","10.1107/S0108270194005433","","","0.71073","MoKα","","","0.032","","","0.031","","","","","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010357","11.0301","0.0014","13.7114","0.0008","11.6012","0.0012","90","","108.603","0.006","90","","1662.9","0.3","290","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F6 Fe O2 P -","- C17 H13 F6 Fe O2 P -","- C68 H52 F24 Fe4 O8 P4 -","4","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.061","","","0.061","","","","","5.38","5.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010358","18.027","0.009","11.706","0.005","19.845","0.004","90","","99.81","0.03","90","","4127","3","290","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C20 H20 F6 Fe O3 P -","- C20 H20 F6 Fe O2.5 P -","- C160 H160 F48 Fe8 O20 P8 -","8","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.042","","","0.052","","","","","3.16","3.16","","","","","has coordinates","190970","2020-10-21","18:00:00",""
"2010360","13.532","0.0007","13.817","0.001","14.0625","0.0009","90","","117.906","0.006","90","","2323.5","0.3","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cl3 Cr N3 -","- C18 H39 Cl3 Cr N3 -","- C72 H156 Cl12 Cr4 N12 -","4","1","BK1036","Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F.","Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium","Acta Crystallographica Section C","1995","51","1","18","20","10.1107/S0108270194006268","","","0.71073","MoKα","","","0.03","","","0.035","","","","","1.475","1.475","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010363","14.639","0.001","5.523","0.001","10.722","0.001","90","","111.99","0.01","90","","803.8","0.2","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.024","","","0.03","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010364","14.551","0.003","5.504","0.001","10.641","0.001","90","","111.93","0.01","90","","790.5","0.2","173","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.022","","","0.031","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010365","25.767","0.002","13.897","0.002","19.867","0.004","90","","126.91","0.01","90","","5688.3","1.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C58 H80 O10 -","- C70 H116 O10 -","- C280 H464 O40 -","4","0.5","CR1139","Marsh, R.E.","A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)","Acta Crystallographica Section C","1995","51","1","157","158","10.1107/S0108270194004506","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010367","10.474","0.006","12.862","0.005","23.882","0.008","94.72","0.03","91.8","0.05","107.98","0.05","3044","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 I11 Mo4 P2 -","- C48 H40 I11 Mo4 P2 -","- C96 H80 I22 Mo8 P4 -","2","1","GR1011","Gordon, J.C.; Poli, R.","A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]","Acta Crystallographica Section C","1995","51","1","14","18","10.1107/S0108270194004877","","","0.71073","MoKα","","","0.06","","","0.078","","","","","2.97","2.97","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010368","7.347","0.001","24.849","0.006","9.001","0.001","90","","107.14","0.01","90","","1570.3","0.5","213","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 O11 Os3 -","- C10 O11 Os3 -","- C40 O44 Os12 -","4","1","GR1012","Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.","(μ-H)(μ-OH)Os~3~(CO)~10~","Acta Crystallographica Section C","1995","51","1","42","45","10.1107/S0108270194006128","","","0.71073","MoKα","","","0.026","","","0.031","","","","","0.947","0.947","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010369","12.3","0.02","9.02","0.011","11.482","0.004","117.1","0.1","88.79","0.02","97.88","0.01","1122","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C42 H52 N8 O10 S2 -","2","1","HA1098","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.","2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide","Acta Crystallographica Section C","1995","51","1","139","141","10.1107/S0108270194004981","","","0.71073","MoKα","","","0.054","","","0.058","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010370","24.725","0.008","14.544","0.002","13.95","0.001","90","","103.1","0.06","90","","4886","2","289","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C24 H21 F3 Fe2 O6 -","- C24 H21 F3 Fe2 O6 -","- C192 H168 F24 Fe16 O48 -","8","1","HL1042","Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B.","[{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}]","Acta Crystallographica Section C","1995","51","1","34","37","10.1107/S0108270194000521","","","0.71073","MoKα","","","0.045","","","0.047","","","","","4.26","4.26","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010371","8.825","0.002","7.203","0.002","11.87","0.004","90","","92.38","0.02","90","","753.9","0.4","269","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O8 Zn -","- C16 H18 N4 O8 Zn -","- C32 H36 N8 O16 Zn2 -","2","0.5","HR1000","Okabe, N.; Sasaki, Y.","Zinc(II) Complex of Urocanic Acid","Acta Crystallographica Section C","1995","51","1","65","67","10.1107/S0108270194005056","","","0.71073","MoKα","","","0.032","","","0.042","","","","","1.72","1.72","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010372","14.235","0.003","11.368","0.003","13.86","0.003","90","","108.84","0.02","90","","2122.7","0.9","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl Cu F6 N5 P -","- C17 H19 Cl Cu F6 N5 P -","- C68 H76 Cl4 Cu4 F24 N20 P4 -","4","1","HR1018","Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.","Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~","Acta Crystallographica Section C","1995","51","1","50","52","10.1107/S010827019400644X","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010374","12.955","0.004","14.217","0.006","16.494","0.009","98.82","0.05","112.57","0.05","101.15","0.03","2664","2","120","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu N4 O4 -","- C33 H26 Cu N4 O4 -","- C132 H104 Cu4 N16 O16 -","4","2","HR1021","Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L.","Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate","Acta Crystallographica Section C","1995","51","1","53","57","10.1107/S0108270194008024","","","0.71073","MoKα","","","0.082","","","0.072","","","","","2.841","2.841","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010375","8.669","0.002","10.553","0.002","13.535","0.003","96.34","0.02","105.91","0.03","105.02","0.02","1128","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","HU1057","Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.","2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","1","109","112","10.1107/S0108270194003719","","","0.71069","MoKα","","","0.056","","","0.066","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010376","15.664","0.002","15.664","0.002","16.97","0.002","90","","90","","90","","4163.8","0.9","293","","","","","","","","","","","5","I 41/a c d","I -4 2aw -bw","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl4 N4 Ru2 -","- C160 H160 Cl32 N32 Ru16 -","8","","HU1072","Elsegood, M.R.J.; Tocher, D.A.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","1995","51","1","40","42","10.1107/S0108270194006451","","","0.71073","MoKα","","","0.0453","","","0.032","","","","","2.2258","2.2258","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010377","11.007","0.001","19.1","0.003","14.976","0.002","90","","110.21","0.02","90","","2954.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 O3 S -","- C14 H24 O3 S -","- C112 H192 O24 S8 -","8","2","HU1088","Hellier, Desmond G.; Majid Motevalli","4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S","Acta Crystallographica Section C","1995","51","1","129","131","10.1107/S0108270194007171","","","0.71069","MoKα","","0.0912","0.0489","","0.1228","0.1153","","","","1.01","1.242","1.242","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010378","7.176","0.001","11.969","0.002","12.621","0.002","90","","90","","90","","1084","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","0.71069","MoKα","","0.113","0.0477","","0.1163","0.1046","","","","0.947","1.182","1.182","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010379","6.706","0.001","12.49","0.002","12.965","0.003","90","","90","","90","","1085.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","1.5418","CuKα","","0.1513","0.0457","","0.1025","0.0869","","","","0.841","1.216","1.216","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010382","9.97","0.002","14.049","0.003","19.013","0.004","90","","90","","90","","2663.1","1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 N2 O3 P -","- C23 H45 N2 O3 P -","- C92 H180 N8 O12 P4 -","4","1","HU1102","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","A Chiral Bicyclic 1-Acetoxy Phosphonamide","Acta Crystallographica Section C","1995","51","1","86","88","10.1107/S0108270194007948","","","0.71073","MoKα","","","0.0495","","","0.0593","","","","","1.2","1.2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010383","9.028","0.007","5.256","0.002","23.022","0.016","90","","92.78","0.06","90","","1091.1","1.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","KA1048","Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B.","4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one","Acta Crystallographica Section C","1995","51","1","151","152","10.1107/S0108270194001812","","","1.54178","CuKα","","","0.0477","","","0.056","","","","","6.2","6.2","","","","","has coordinates","198434","2020-10-21","18:00:00",""
"2010385","9.15","0.004","17.465","0.006","12.098","0.005","89.99","0.02","106.89","0.02","89.99","0.02","1849.9","1.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","KA1072","Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.","5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one","Acta Crystallographica Section C","1995","51","1","131","134","10.1107/S010827019400497X","","","0.7107","MoKα","","","0.05","","","0.058","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010386","15.606","0.002","10.624","0.002","13.499","0.002","90","","98.89","0.01","90","","2211.2","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","LI1101","Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.","Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate","Acta Crystallographica Section C","1995","51","1","112","114","10.1107/S010827019400524X","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.873","0.873","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010387","18.585","0.003","9.562","0.001","15.012","0.004","90","","131.83","0.03","90","","1987.8","1.1","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H7 N O9 Ru3 -","- C15 H7 N O9 Ru3 -","- C60 H28 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.037","","","0.05","","","","","1.876","1.876","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010388","10.971","0.002","11.034","0.002","18.1","0.005","90","","90","","90","","2191.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H11 N O9 Ru3 -","- C17 H11 N O9 Ru3 -","- C68 H44 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.028","","","0.04","","","","","1.394","1.394","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010389","11.979","0.002","12.773","0.002","37.264","0.006","90","","90","","90","","5701.7","1.6","173","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Cl Si3 Zr -","- C24 H39 Cl Si3 Zr -","- C192 H312 Cl8 Si24 Zr8 -","8","1","MU1105","Lukens, Wayne","Chlorotris(trimethylsilylcyclopentadienyl)zirconium","Acta Crystallographica Section C","1995","51","1","10","12","10.1107/S0108270194007547","","","0.71073","MoKα","","","0.0467","","","0.0585","","","","","1.999","1.999","","","","","has coordinates,has disorder","200180","2020-10-21","18:00:00",""
"2010390","7.079","0.003","14.29","0.004","14.828","0.005","90","","93.22","0.03","90","","1497.6","0.9","128","5","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N2 O4 -","- C14 H11 Co N2 O4 -","- C56 H44 Co4 N8 O16 -","4","1","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0417","","","0.044","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010391","19.528","0.005","9.518","0.002","7.408","0.002","90","","90","","90","","1376.9","0.6","128","5","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H17 Co N2 O4 -","- C12 H21 Co N2 O4 -","- C48 H84 Co4 N8 O16 -","4","0.5","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0452","","","0.0455","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010392","19.142","0.008","20.759","0.004","23.645","0.01","90","","90","","90","","9396","6","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C104 H88 Au2 Cl6 Fe3 P6 -","- C104 H88 Au2 Cl6 Fe3 P6 -","- C416 H352 Au8 Cl24 Fe12 P24 -","4","0.5","MU1114","Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.","[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers","Acta Crystallographica Section C","1995","51","1","30","32","10.1107/S0108270194005962","","","0.71073","MoKα","","","0.0496","","","0.0438","","","","","1.16","1.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010393","15.743","0.001","10.3","0.001","15.83","0.001","90","","104.638","0.007","90","","2483.6","0.3","293","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H60 Mo O P4 -","- C57.2 H52 Mo O0.8 P4 -","- C114.4 H104 Mo2 O1.6 P8 -","2","0.5","MU1119","Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L.","[MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran)","Acta Crystallographica Section C","1995","51","1","23","26","10.1107/S0108270194007559","","","0.71069","MoKα","","","0.032","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010394","8.214","0.001","10.264","0.001","13.138","0.003","96.03","0.01","87.13","0.01","110.18","0.01","1033.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N10 Ni O -","- C20 H18 N10 Ni O -","- C40 H36 N20 Ni2 O2 -","2","1","NA1087","Urtiaga, M.K.; Arriortua, M.I.; Muro, I.G.De.; Cortes, R.","Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate","Acta Crystallographica Section C","1995","51","1","62","65","10.1107/S0108270194005159","","","0.71069","MoKα","","","0.035","","","0.038","","","","","1.23","1.23","","","","","has coordinates","191098","2020-10-21","18:00:00",""
"2010395","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","4","OH1042","Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T.","(13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style","Acta Crystallographica Section C","1995","51","1","135","139","10.1107/S0108270194000715","","","1.5418","CuKα","","","0.0615","","","0.0675","","","","","1.232","1.232","","","","","has coordinates","205900","2020-10-21","18:00:00",""
"2010396","15.963","0.004","15.963","0.004","8.525","0.003","90","","90","","90","","2172.3","1.1","124","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C6.5 H13.75 N0.25 Na O6 Si -","- C6.5 H13.75 N0.25 Na O6 Si -","- C52 H110 N2 Na8 O48 Si8 -","8","1","OH1063","Gainsford, G.J.; Kemmitt, T.; Milestone, N.B.","Sodium Bis[1,2-ethanediolato(2‒)](hydroxyethoxo)silicate(1‒) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N","Acta Crystallographica Section C","1995","51","1","8","10","10.1107/S010827019400702X","","","0.71073","MoKα","","","0.028","","","0.033","","","","","0.93","0.93","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2010397","11.677","0.002","7.064","0.002","17.078","0.002","90","","94.22","0.02","90","","1404.9","0.5","143","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Ni O14 S2 -","- C20 H42 Ni O14 S2 -","- C40 H84 Ni2 O28 S4 -","2","1","OH1067","Henderson, W.; Nicholson, B.K.","Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate","Acta Crystallographica Section C","1995","51","1","37","40","10.1107/S0108270194006542","","","0.71073","MoKα","","","0.0491","","","0.0721","","","","","1.038","1.038","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010398","12.615","0.003","11.408","0.002","11.99","0.003","90","","98.78","0.01","90","","1705.3","0.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Cl3 Co N5 O8 -","- C8 H21 Cl3 Co N5 O8 -","- C32 H84 Cl12 Co4 N20 O32 -","4","1","OH1069","Giannos, M.; Fallon, G.D.; Spiccia, L.","[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","1","48","50","10.1107/S0108270194006189","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.652","1.652","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010399","8.67","0.003","3.902","0.002","10.463","0.001","90","","95.32","0.02","90","","352.4","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C12 H8 N4 S4 -","2","0.5","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.031","","","0.038","","","","","0.508","0.508","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010400","5.77","0.003","5.923","0.002","21.056","0.001","90","","90","","90","","719.6","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.041","","","0.054","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010401","5.673","0.002","6.172","0.002","11.507","0.001","90","","61.79","","90","","355.05","0.17","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C6 H4 N2 S2 -","- C4 H2 N2 S4 -","- C8 H4 N4 S8 -","2","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.039","","","0.04","","","","","0.465","0.465","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010402","19.249","0.002","10.073","0.002","14.701","0.001","90","","97.93","0.02","90","","2823.2","0.7","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C16 H20 Cl2 Cu N4 O10 S6 -","- C12 H16 Cl2 Cu N4 O10 S10 -","- C48 H64 Cl8 Cu4 N16 O40 S40 -","4","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.076","","","0.077","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010403","11.41","0.001","7.663","0.001","17.404","0.002","90","","103.31","0.01","90","","1480.8","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C64 H64 N16 O8 -","8","2","PA1100","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethylbenzimidazole","Acta Crystallographica Section C","1995","51","1","115","116","10.1107/S0108270194006001","","","1.5418","CuKα","","","0.0425","","","0.057","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010404","9.631","0.002","5.491","0.001","9.895","0.001","90","","92.04","0.01","90","","522.95","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 O2 S5 -","- C7 H6 O2 S5 -","- C14 H12 O4 S10 -","2","1","PA1109","Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B.","4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-<i>b</i>][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts","Acta Crystallographica Section C","1995","51","1","149","151","10.1107/S0108270194007286","","","0.71069","MoKα","","","3.9","","","4.5","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010406","7.442","0.001","22.709","0.002","9.738","0.001","90","","101.22","0.01","90","","1614.3","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","PA1113","Wallet, J.-C.; Molins, E.; Miravitlles, C.","1-Phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione","Acta Crystallographica Section C","1995","51","1","103","104","10.1107/S0108270194007687","","","0.71073","MoKα","","","0.043","","","0.059","","","","","2.07","2.07","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010407","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.37","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","R. Retoux; L. Girodier; F. Rouessac","(-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica Section C","1995","51","","146","148","","","","","","","","0.0329","","","0.0912","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010408","3.992","0.001","24.356","0.002","13.071","0.001","90","","90.55","0.01","90","","1270.8","0.3","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","PA1116","Wallet, J-C.; Molins, E.; Miravitlles, C.","2'-Hydroxy-2-methoxychalcone","Acta Crystallographica Section C","1995","51","1","123","125","10.1107/S010827019400805X","","","0.71073","MoKα","","","0.043","","","0.055","","","","","1.8","1.8","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010409","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0365","","","0.0925","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010410","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0432","","","0.0852","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010411","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","R. Retoux; P. Hayes; C. Maignan","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica Section C","1995","51","","93","94","","","","","","","","0.0514","","","0.1337","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010412","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","P. Gosselin; E. Bonfand; C. Maignan; R. Retoux","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica Section C","1995","51","","94","96","","","","","","","","0.0419","","","0.1108","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010414","11.83","0.02","8.36","0.02","18.32","0.04","90","","71.55","0.03","90","","1719","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chromene","8,8-diphenyl-[8H]-pyrano[3,2-f] quinoline","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","PA1125","Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R.","A Photochromic Pyrido-Annulated 2,2-Diphenylchromene","Acta Crystallographica Section C","1995","51","1","141","143","10.1107/S0108270194008231","","","0.71069","MoKα","","0.0764","0.0547","","0.2335","0.0547","","","","0.681","0.766","0.766","","","","","has coordinates","198843","2020-10-21","18:00:00",""
"2010415","7.082","0.01","10.065","0.008","14.559","0.01","96.03","0.06","94.13","0.09","107.59","0.09","977.9","1.8","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Cl N2 S4 Sn -","- C12 H23 Cl N2 S4 Sn -","- C24 H46 Cl2 N4 S8 Sn2 -","2","1","SE1051","Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J.","Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)","Acta Crystallographica Section C","1995","51","1","70","72","10.1107/S0108270194006293","","","0.71069","MoKα","","","0.038","","","0.046","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010416","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","","Paulus, E. F.; Bingel, C.","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~","Acta Crystallographica Section C","1995","51","","143","146","","","","","","","","0.045","","","0.1101","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010418","11.844","0.002","24.508","0.004","11.021","0.003","90","","114.32","0.01","90","","2915.2","1.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O7 S2 -","- C31 H29 N O7 S2 -","- C124 H116 N4 O28 S8 -","4","1","VJ1002","Seetharaman, J.; Rajan, S.S.","1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole","Acta Crystallographica Section C","1995","51","1","78","80","10.1107/S0108270194007912","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010420","5.123","0.001","8.955","0.001","10.147","0.001","80.93","0.01","75.36","0.01","89.17","0.01","444.61","0.11","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- H7 N O10.5 S2 Sc -","- H8 N O11 S2 Sc -","- H16 N2 O22 S4 Sc2 -","2","1","AB1121","Mirčeva, A.; Golič, L.","Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O","Acta Crystallographica Section C","1995","51","2","175","177","10.1107/S0108270194003203","","","0.71069","MoKα","","","0.03","","","0.034","","","","","0.42","0.42","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010421","8.342","0.003","9.861","0.002","12.735","0.002","80.41","0.02","79.91","0.02","80.96","0.02","1008.1","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","AB1138","Liu, X.-L.; Wang, J.-L.; Liu, J.-W.; Miao, F.-M.","6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1995","51","2","324","326","10.1107/S0108270194005949","","","0.71073","MoKα","","","0.035","","","0.034","","","","","0.721","0.721","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010423","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quitenine ethyl ester","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica Section C","1995","51","","282","285","","","","","","","","0.0335","","","0.0914","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010424","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica Section C","1995","51","","270","272","","","","","","","","0.073","","","0.23","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010425","5.782","0.001","15.148","0.002","12.064","0.002","90","","98.98","0.02","90","","1043.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C52 H36 F4 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.046","","","0.063","","","","","3.38","3.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010426","16.966","0.002","5.783","0.001","22.038","0.001","90","","101.981","0.008","90","","2115.1","0.5","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C104 H72 F8 O16 -","8","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.064","","","0.072","","","","","2.8","2.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010427","5.689","0.001","14.734","0.001","12.385","0.001","90","","101.06","0.01","90","","1018.9","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.036","","","0.054","","","","","2.52","2.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010428","7.025","0.001","15.417","0.003","11.111","0.002","90","","102.38","0.01","90","","1175.4","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N5 O -","- C11 H15 N5 O -","- C44 H60 N20 O4 -","4","1","AS1114","Głowka, M.L.","3-(4-Pyridyl)-5,6,7,8-tetrahydro-9<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,3]diazepine Monohydrate","Acta Crystallographica Section C","1995","51","2","285","287","10.1107/S0108270194006414","","","0.71069","MoKα","","","0.0485","","","0.0594","","","","","0.63","0.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010429","9.559","0.002","12.464","0.002","10.478","0.002","90","","94.37","0.01","90","","1244.8","0.4","293","1","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 -","- C26 H46 -","- C52 H92 -","2","0.5","AS1115","Overby, J.S.; Hanusa, T.P.","2,4,7,9-Tetra-<i>tert</i>-butyl-1,3,7,9-decatetraene","Acta Crystallographica Section C","1995","51","2","313","315","10.1107/S0108270194006426","","","0.71069","MoKα","","","0.044","","","0.05","","","","","1.54","1.54","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010430","9.7196","0.0013","9.848","0.002","30.923","0.007","90","","90","","90","","2959.9","1","122","0.5","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O9 -","- C32 H35 N O9 -","- C128 H140 N4 O36 -","4","1","AS1116","Lopez de Diego, Heidi","(<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate‒Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~","Acta Crystallographica Section C","1995","51","2","253","256","10.1107/S010827019400764X","","","1.5418","CuKα","","","0.044","","","0.1298","","","","","1.15","1.15","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010433","9.995","0.004","14.143","0.003","13.171","0.004","90","","91.96","0.03","90","","1860.8","1","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.062","","","0.083","","","","","1.57","1.57","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010434","9.605","0.002","15.309","0.006","13.01","0.002","90","","105.64","0.02","90","","1842.2","0.9","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.049","","","0.066","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010437","5.782","0.002","18.164","0.005","7.531","0.002","90","","90.07","0.02","90","","790.9","0.4","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 O5 S -","- C6 H6 O5 S -","- C24 H24 O20 S4 -","4","1","BK1034","Webb, T.R.; Ho, Z.-C.; Livant, P.","<i>cis</i>,<i>trans</i>-3,3'-Sulfinylbis(acrylic acid)","Acta Crystallographica Section C","1995","51","2","304","306","10.1107/S0108270194005457","","","0.71073","MoKα","","","0.0534","","","0.0649","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010438","17.985","0.007","15.9","0.007","15.042","0.005","90","","104.23","0.04","90","","4169","3","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl2 N4 O4 Zr -","- C49 H34 Cl4 N4 O4 Zr -","- C196 H136 Cl16 N16 O16 Zr4 -","4","0.5","BK1042","Huhmann, Jean L.; Corey, Joyce Y.; Rath, Nigam P.","(Tetraphenylporphyrinato)zirconium(IV) Diacetate","Acta Crystallographica Section C","1995","51","2","195","197","10.1107/S0108270194008553","","","0.71073","MoKα","","","0.0763","","","0.0822","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010440","24.443","0.009","9.102","0.002","15.356","0.005","90","","116.01","0.03","90","","3070.4","1.8","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu N O2 P2 -","- C36 H30 Cu N O2 P2 -","- C144 H120 Cu4 N4 O8 P8 -","4","0.5","BK1045","Halfen, Jason A.; Tolman, William B.","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')","Acta Crystallographica Section C","1995","51","2","215","217","10.1107/S0108270194008991","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010444","8.204","0.003","8.204","0.003","4.159","0.001","90","","90","","120","","242.42","0.14","291","2","291","2","","","","","","","","4","P 3 2 1","P 3 2""","150","strontium dibromide hexahydrate","","","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","1","0.166667","","Abrahams, Isaac; Vordemvenne, Elke","Strontium Dibromide Hexahydrate","Acta Crystallographica Section C","1995","51","","183","185","","","","","","","","0.0294","","","0.075","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010446","13.613","0.005","5.919","0.009","14.988","0.002","90","","114.563","0.01","90","","1098.4","1.7","300","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","CR1071","Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.","4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide","Acta Crystallographica Section C","1995","51","2","333","336","10.1107/S0108270193014180","","","1.5418","CuKα","","","0.064","","","0.086","","","","","2.78","2.78","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2010447","7.428","0.001","9.652","0.001","11.102","0.002","73.29","0.02","70.89","0.02","70.49","0.02","694.6","0.2","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 N3 O4 S -","- C11 H17 N3 O4 S -","- C22 H34 N6 O8 S2 -","2","1","CR1072","Kokila, M.K.; Puttaraja; Kulkarni, M.V.; Thampi, S.","3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate","Acta Crystallographica Section C","1995","51","2","330","333","10.1107/S0108270193014015","","","1.5418","CuKα","","","0.036","","","0.039","","","","","1.92","1.92","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010448","19.874","0.001","23.935","0.002","9.496","0.001","90","","90","","90","","4517.1","0.6","290","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N2 O15 -","- C48 H52 N2 O15 -","- C192 H208 N8 O60 -","4","1","CR1123","Gao, Q.; Golik, J.","2'-Carbamate Taxol","Acta Crystallographica Section C","1995","51","2","295","298","10.1107/S0108270194005317","","","1.5418","CuKα","","","0.041","","","0.041","","","","","1.149","1.149","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010449","6.6219","0.0003","9.4738","0.0013","12.462","0.002","96.475","0.011","93.022","0.007","107.315","0.008","738.53","0.16","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O -","- C9 H7 F O -","- C36 H28 F4 O4 -","4","2","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.056","","","0.076","","","","","4.462","4.462","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010450","13.992","0.001","6.962","0.001","9.788","0.001","90","","90","","90","","953.47","0.18","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H11 F O -","- C11 H11 F O -","- C44 H44 F4 O4 -","4","0.5","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.044","","","0.055","","","","","2.152","2.152","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010453","7.148","0.003","7.586","0.003","8.888","0.004","109.74","0.03","76.7","0.05","107.37","0.05","428.4","0.3","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","1","0.5","DU1088","Viossat, B.; Tomas, A.; Nguyen-Huy Dung","L'hydrogénocarbonate de Bis(<i>N</i>,<i>N</i>-diméthylbiguanide) Cuivre(II), [Cu(C~4~H~11~N~5~)~2~]2HCO~3~","Acta Crystallographica Section C","1995","51","2","213","215","10.1107/S0108270194006086","","","0.7107","MoKα","","","0.05","","","0.04","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010454","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Al2.7 Fe Si2.3 -","- Al2.7 Fe Si2.3 -","- Al10.8 Fe4 Si9.2 -","4","0.125","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.014","","","0.02","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010455","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Al2.7 Fe Si2.3 -","- Al3 Fe Si2 -","- Al12 Fe4 Si8 -","4","0.5","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.034","","","0.037","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010458","4.533","0.001","16.537","0.003","12.687","0.003","90","","97.22","0.03","90","","943.5","0.3","569","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9(10H)-ACRIDONE","","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","","Potts, Graham D.; Jones, W.","9(10H)-Acridone","Acta Crystallographica Section C","1995","51","","267","268","","","","","","","","0.0543","","","0.1759","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010461","13.8","0.006","7.406","0.001","16.114","0.003","90","","106.04","0.02","90","","1582.8","0.8","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C60 H64 N16 O8 S8 -","4","1","HR1001","Shin, Whanchul; Lim, Byung Chul","Thiamin Thiothiazolone Acetone Solvate, C~12~H~16~N~4~OS~2~.0.5C~3~H~6~O","Acta Crystallographica Section C","1995","51","2","315","318","10.1107/S0108270194003811","","","1.5418","CuKα","","","0.052","","","0.058","","","","","0.882","0.882","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010462","7.057","0.002","16.595","0.004","15.192","0.005","90","","100.01","0.02","90","","1752.1","0.9","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cd I4 N2 -","- C8 H14 Cd I4 N2 -","- C32 H56 Cd4 I16 N8 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0559","","","0.075","","","","","2.14","2.14","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010463","8.549","0.002","17.564","0.005","14.401","0.003","90","","105.35","0.02","90","","2085.2","0.9","294","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C8 H20 Cd I4 N2 O3 -","- C12 H30 Cd1.5 I6 N3 O4.5 -","- C48 H120 Cd6 I24 N12 O18 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0677","","","0.09","","","","","2.5","2.5","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010465","12.176","0.004","20.336","0.003","27.728","0.007","90","","90","","90","","6866","3","298","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H34 O3 P2 S W -","- C38 H34 O3 P2 S W -","- C304 H272 O24 P16 S8 W8 -","8","1","HR1013","Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.","{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)","Acta Crystallographica Section C","1995","51","2","198","200","10.1107/S0108270194007882","","","0.7107","MoKα","","","0.024","","","0.017","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010466","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica Section C","1995","51","","234","235","","","","","","","","0.0207","","","0.0531","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010467","8.184","0.005","12.363","0.004","7.101","0.002","94.93","0.03","94","0.04","77.34","0.04","697.5","0.5","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl2 N6 O2 Zn -","- C8 H14 Cl2 N6 O2 Zn -","- C16 H28 Cl4 N12 O4 Zn2 -","2","1","HU1081","Okabe, N.; Kohyama, Y.; Ikeda, K.","A Zinc(II) Complex of Creatinine","Acta Crystallographica Section C","1995","51","2","222","224","10.1107/S0108270194010036","","","0.71069","MoKα","","","0.049","","","0.049","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010468","8.568","0.002","12.697","0.002","7.1759","0.0006","101.3","0.01","107.17","0.01","73.3","0.01","709.1","0.2","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cd Cl2 N6 O2 -","- C8 H14 Cd Cl2 N6 O2 -","- C16 H28 Cd2 Cl4 N12 O4 -","2","1","HU1089","Okabe, N.; Ikeda, K.; Kohyama, Y.; Sasaki, Y.","Dichlorobis(creatinine)cadmium(II)","Acta Crystallographica Section C","1995","51","2","224","226","10.1107/S0108270194010048","","","0.71069","MoKα","","","0.022","","","0.03","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010469","21.728","0.009","12.624","0.006","13.838","0.007","90","","113.8","0.04","90","","3473","3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Cl4 P2 Pd2 -","- C28 H44 Cl4 P2 Pd2 -","- C112 H176 Cl16 P8 Pd8 -","4","0.5","HU1114","Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B.","<i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium]","Acta Crystallographica Section C","1995","51","2","232","233","10.1107/S0108270194010255","","","0.71069","MoKα","","","0.035","","","0.046","","","","","1.4","1.4","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010470","11.118","0.002","6.167","0.003","12.296","0.002","90","","107.28","0.02","90","","805","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C8 H7 N O Se -","- C8 H7 N O Se -","- C32 H28 N4 O4 Se4 -","4","1","KA1040","Piatek, M.; Oleksyn, B.; Sliwinski, J.","2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one","Acta Crystallographica Section C","1995","51","2","298","301","10.1107/S0108270193012983","","","1.5418","CuKα","","","0.033","","","0.047","","","","","1.204","1.204","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010471","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aurone","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica Section C","1995","51","","265","267","","","","","","","","0.0576","","","0.1494","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010472","9.609","0.005","5.648","0.003","10.491","0.005","90","","91.63","0.04","90","","569.1","0.5","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Zn -","- C10 H14 N2 O4 Zn -","- C20 H28 N4 O8 Zn2 -","2","1","LI1042","Ng, C.-H.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Chinnakali, K.","Bis(<small>L</small>-prolinato-<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","1995","51","2","244","245","10.1107/S0108270194009340","","","0.71069","MoKα","","","0.0269","","","0.0362","","","","","0.96","0.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010473","6.281","0.004","7.613","0.005","27.78","0.02","90","","92.45","0.06","90","","1327.1","1.5","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","LI1058","Li, Z.; Su, G.","2-Methoxy-5-(4-nitrostyryl)phenol","Acta Crystallographica Section C","1995","51","2","311","313","10.1107/S0108270194008668","","","0.71069","MoKα","","","0.066","","","0.077","","","","","1.91","1.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010474","11.358","0.002","25.591","0.005","13.497","0.002","90","","90","","90","","3923.1","1.2","295","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H50 N5 O10 -","- C39 H50 N5 O10 -","- C156 H200 N20 O40 -","4","1","LI1098","Pakhomova, S.; Ondrack, M.; Kratochvil, B.; Jegporov, A.; Stuchlik, J.","Ergotamine Tartrate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","2","308","311","10.1107/S0108270194004233","","","0.71073","MoKα","","","0.047","","","0.047","","","","","0.8386","0.8386","","","","","has coordinates","190659","2020-10-21","18:00:00",""
"2010475","8.693","0.003","26.794","0.007","12.534","0.005","90","","93.08","0.03","90","","2915.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N6 O -","- C17 H14 N6 O -","- C136 H112 N48 O8 -","8","2","LI1112","Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.","The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline","Acta Crystallographica Section C","1995","51","2","318","322","10.1107/S0108270194004166","","","1.54178","CuKα","","0.0417","0.0365","","0.1053","0.1014","","","","3.951","1","1","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010478","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.","Acta Crystallographica Section C","1995","51","","280","282","","","","","","","","0.0502","","","0.1217","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010479","8.582","0.002","8.996","0.002","15.357","0.003","94.9","0.01","93.27","0.01","117.59","0.01","1040","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C48 H54 N6 O6 -","2","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.038","","","0.05","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010480","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.027","","","0.036","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010481","9.439","0.001","21.6","0.003","16.678","0.003","90","","94.71","0.01","90","","3388.9","0.9","293","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br4 Mo N2 P -","- C34 H30 Br4 Mo N2 P -","- C136 H120 Br16 Mo4 N8 P4 -","4","1","MU1097","Brenčič, Jurij V.; Modec, Barbara; Yao, Zhengui","Tetraphenylphosphonium <i>cis</i>-Tetrabromobis(pyridine)molybdate(III)","Acta Crystallographica Section C","1995","51","2","197","198","10.1107/S0108270194007535","","","0.71069","MoKα","","","0.0248","","","0.0348","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010482","20.378","0.009","9.914","0.005","17.272","0.008","90","","103","0.06","90","","3400","3","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl2 N4 O4 P Rh -","- C36 H34 Cl3 N4 O4 P Rh -","- C144 H136 Cl12 N16 O16 P4 Rh4 -","4","1","MU1107","Dunaj-Jurco, M.; Kettmann, V.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato)(phenylacetylido)(triphenylphosphine)rhodium(III) Dichloromethane, [Rh(C~4~H~7~N~2~O~2~)~2~(C~8~H~5~)(C~18~H~15~P)].CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","2","210","213","10.1107/S010827019400586X","","","0.71069","MoKα","","","0.045","","","0.056","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010483","16.74","0.01","13.57","0.004","19.65","0.02","90","","113.22","0.09","90","","4102","6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Co N4 O2 -","- C50 H44 B Co N4 O2 -","- C200 H176 B4 Co4 N16 O8 -","4","1","MU1116","Shi, Xiao-Hui; You, Xiao-Zeng; Li, Cun; Song, Bao-Lin; Li, Ting-Hao; Huang, Xiao-Ying","<i>trans</i>-[Co(salen)(py)~2~][BPh~4~]","Acta Crystallographica Section C","1995","51","2","206","207","10.1107/S0108270194009091","","","0.71069","MoKα","","","0.048","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010485","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","","217","219","","","","","","","","0.0951","","","0.2013","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010486","12.162","0.001","10.647","0.001","7.985","0.001","90","","92.441","0.005","90","","1033.03","0.18","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C H13 B10 Cs -","- C H13 B10 Cs -","- C4 H52 B40 Cs4 -","4","1","NA1091","Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi","Cs[CB~10~H~13~] at 293 K","Acta Crystallographica Section C","1995","51","2","188","190","10.1107/S0108270194008139","","","0.71073","MoKα","","","0.042","","","0.051","","","","","2.47","2.47","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010491","7.066","0.003","10.657","0.006","13.046","0.007","91.99","0.05","103.15","0.05","90.52","0.04","955.9","0.9","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N5 S -","- C24 H13 N5 S -","- C48 H26 N10 S2 -","2","1","PA1062","Toupet, L.; Karl, N.","Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane","Acta Crystallographica Section C","1995","51","2","249","251","10.1107/S0108270194008061","","","0.70926","MoKα","","","0.057","","","0.056","","","","","0.81","0.81","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010492","3.873","0.002","13.687","0.002","7.013","0.003","90","","92.94","0.06","90","","371.3","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.046","","","0.059","","","","","2.024","2.024","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2010493","7.842","0.002","14.45","0.005","7.548","0.002","101.08","0.02","98.1","0.02","84.38","0.03","828.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Cl3 N O2 -","- C6 H2 Cl3 N O2 -","- C24 H8 Cl12 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.06","","","0.08","","","","","3.086","3.086","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010494","10.92","0.003","10.944","0.002","8.74","0.001","103.17","0.01","112.68","0.02","78.25","0.02","930.6","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H Cl4 N O2 -","- C6 H Cl4 N O2 -","- C24 H4 Cl16 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.039","","","0.056","","","","","2.194","2.194","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010495","8.46","0.001","6.559","0.001","9.798","0.008","92.05","0.05","106.72","0.05","92.46","0.05","519.6","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Cl2 Na2 O7 -","- C6 H6 Cl2 Na2 O7 -","- C12 H12 Cl4 Na4 O14 -","2","1","PA1086","Benchekroun, R.; Savariault, J.-M.","Sodium Chloranilate Trihydrate","Acta Crystallographica Section C","1995","51","2","186","188","10.1107/S010827019400301X","","","0.71069","MoKα","","","0.028","","","0.027","","","","","2.23","2.23","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010496","24.179","0.002","11.203","0.001","17.286","0.002","90","","125.62","0.01","90","","3806.3","0.8","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C152 H216 N8 O32 -","8","1","PA1101","Nurit, J.; Rambaud, J.; Pauvert, B.; Doumbia, O.; Térol, A.; Chevallet, P.; Declercq, J.-P.","Polymorph (II) of Methyl 3-(4-Ethoxy-α-hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate","Acta Crystallographica Section C","1995","51","2","322","324","10.1107/S0108270194006013","","","1.54178","CuKα","","","0.058","","","0.088","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010499","9.109","0.003","16.546","0.005","15.703","0.005","90","","93.38","0.02","90","","2362.6","1.3","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O9 -","- C21 H32 N4 O9 -","- C84 H128 N16 O36 -","4","1","SH1070","Kasemann, O.; Stanetty, P.; Mereiter, K.","Decahydro-6,6-dimethoxy-1,2,2,4-tetramethylquinolinium Picrate","Acta Crystallographica Section C","1995","51","2","306","308","10.1107/S0108270194006992","","","0.71069","MoKα","","","0.06","","","0.057","","","","","1.93","1.93","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010501","10.087","0.003","11.044","0.003","12.342","0.003","90","0.02","113.86","0.02","90","0.02","1257.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","nimonol","Nimonol","","- C28 H36 O5 -","- C28 H36 O5 -","- C56 H72 O10 -","2","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0645","0.0623","","","","0.1941","","","","","","1.153","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010502","10.805","0.001","12.71","0.002","17.538","0.002","90","0.01","90","0.01","90","0.01","2408.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-oxonimonol","6-oxonimonol","","- C28 H34 O5 -","- C28 H34 O5 -","- C112 H136 O20 -","4","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0492","0.0429","","","","0.1285","","","","","","0.8","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010503","9.728","0.002","8.414","0.002","11.674","0.002","90","","92.23","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","α-haloketal, (1'R,4S,5S)-Dimethyl 2-(1'-bromoethyl)-2- (3"",4""-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C17 H21 Br O8 -","- C17 H21 Br O8 -","- C34 H42 Br2 O16 -","2","1","BK1479","Ferri, Pedro H.; Lariucci, Carlito; Homar, Leon I. B.; Santos, Raquel F.; Maia, Elaine R.; Santos, Lourivaldo S.; Vencato, Ivo","α-Haloketal (1'<i>R</i>,4<i>S</i>,5<i>S</i>)-dimethyl 2-(1'-bromoethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section C","2000","56","1","118","120","10.1107/S0108270199012962","","","0.71073","MoKα","","0.0924","0.035","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010504","11.7643","0.0002","19.9965","0.0003","32.9889","0.0003","90","","90","","90","","7760.47","0.19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","μ-(4,4'-Bipyridine)-N:N'-bis[bis(pyrrolidinedithiocarboxylato-S,S')zinc(II)]","","- C30 H40 N6 S8 Zn2 -","- C30 H40 N6 S8 Zn2 -","- C240 H320 N48 S64 Zn16 -","8","0.25","BK1483","Chen, Xiao-Feng; Liu, Shu-Hua; Zhu, Xu-Hui; Vittal, Jagadese J.; Tan, Goek-Kheng; You, Xiao-Zeng","μ-(4,4'-Bipyridine)-<i>N</i>:<i>N</i>'-bis[bis-(pyrrolidinedithiocarboxylato-<i>S</i>,<i>S</i>')zinc(II)]","Acta Crystallographica Section C","2000","56","1","42","43","10.1107/S0108270199012706","","","0.71073","MoKα","","0.061","0.046","","0.121","0.112","","","","1.078","1.12","1.12","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010505","13.6494","0.0002","12.8573","0.0002","18.4995","0.0003","90","","103.977","0.001","90","","3150.44","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl] bis[dichloro(h^5^-cyclopentadienyl)titanium] dichloromethane solvate","","- C25 H32 Cl6 O Si2 Ti2 -","- C25 H32 Cl6 O Si2 Ti2 -","- C100 H128 Cl24 O4 Si8 Ti8 -","4","1","BK1495","Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.","[(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)","Acta Crystallographica Section C","2000","56","1","53","55","10.1107/S0108270199012718","","","0.71073","MoKα","","0.146","0.07","","","","0.179","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010506","8.1319","0.0001","22.2503","0.0003","21.697","0.0003","90","","97.97","0.01","90","","3887.87","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl]bis [dichloro(h^5^-pentamethylcyclopentadienyl)titanium]","","- C34 H50 Cl4 O Si2 Ti2 -","- C34 H50 Cl4 O Si2 Ti2 -","- C136 H200 Cl16 O4 Si8 Ti8 -","4","1","BK1495","Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.","[(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)","Acta Crystallographica Section C","2000","56","1","53","55","10.1107/S0108270199012718","","","0.71073","MoKα","","0.085","0.051","","","","0.122","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010507","9.3991","0.0007","9.7733","0.0004","10.5899","0.0007","90.376","0.004","71.465","0.005","104.463","0.005","890.29","0.1","293","","293","","","","","","","","","2","P -1","-P 1","2","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene","cis-9-Phenyl-3,4,4a,9,9a,10-hexahydro-9,10[1',2']benzenoanthracene","","- C26 H22 -","- C26 H22 -","- C52 H44 -","2","1","BK1498","Duan, Shaoming; Baker, Ronald J.; Masnovi, John","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","Acta Crystallographica Section C","2000","56","1","99","101","10.1107/S0108270199012056","","","0.7093","MolybdenumKα","","0.042","0.042","","0.05","","0.05","","","","","","2.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010508","9.2213","0.0006","9.8777","0.001","10.739","0.0008","90.738","0.008","107.829","0.006","104.052","0.007","899.28","0.14","293","","293","","","","","","","","","2","P -1","-P 1","2","9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","cis-9-Phenyl-1,2,3,4,4a,9,9a,10-octahydro-9,10[1',2']benzenoanthracene","","- C26 H24 -","- C26 H24 -","- C52 H48 -","2","1","BK1498","Duan, Shaoming; Baker, Ronald J.; Masnovi, John","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","Acta Crystallographica Section C","2000","56","1","99","101","10.1107/S0108270199012056","","","0.7093","MolybdenumKα","","0.042","0.041","","0.044","","0.044","","","","","","1.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010509","11.165","0.002","7.605","0.002","14.167","0.003","90","","102.02","0.03","90","","1176.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N8 O6 S2 Zn -","- C2 H10 N8 O6 S2 Zn -","- C8 H40 N32 O24 S8 Zn4 -","4","0.5","BK1501","Tong, Ye-Xiang; Su, Cheng-Yong; Zhang, Ze-Fu; Kang, Bei-Sheng; Yu, Xiao-Lan; Chen, Xiao-Min","Bis(thiosemicarbazide-<i>S</i>,<i>N</i>)zinc(II) dinitrate","Acta Crystallographica Section C","2000","56","1","44","45","10.1107/S0108270199012974","","","0.71073","MoKα","","0.0364","0.0287","","","","0.0736","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010510","11.377","0.0008","12.518","0.001","15.4837","0.0012","69.925","0.003","72.338","0.003","66.953","0.003","1869.1","0.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","7-[Triphenylphosphine(diphenylphosphino)gold(I)-P]-8-methyl-7,8- dicarba-nido-undecaborate(-1) Dichloromethane hemisolvate","","- C33.5 H39 Au B9 Cl P2 -","- C33.5 H39 Au B9 Cl P2 -","- C67 H78 Au2 B18 Cl2 P4 -","2","1","BM1352","Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio","7-{Diphenyl[(triphenylphosphine)aurio]phosphine(1+)-<i>P</i>}-8-methyl-7,8-dicarba-<i>nido</i>-undecaborate(1‒) dichloromethane hemisolvate","Acta Crystallographica Section C","2000","56","1","46","47","10.1107/S0108270199014328","","","0.71073","MoKα","","0.023","0.02","","","","0.048","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010511","10.6943","0.0016","11.725","0.0018","16.374","0.003","90","","115.992","0.01","90","","1845.5","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetrahydrothiophene)gold(I) (ortho-benzodisulfonyl)amide","","- C14 H20 Au N O4 S4 -","- C14 H20 Au N O4 S4 -","- C56 H80 Au4 N4 O16 S16 -","4","0.5","BM1354","Friedrichs, Steffi; Jones, Peter G.","Polysulfonylamines. CXX. Bis(tetrahydrothiophene-<i>S</i>)gold(I) benzene-1,2-disulfonimidate","Acta Crystallographica Section C","2000","56","1","56","57","10.1107/S0108270199013086","","","0.71073","MoKα","","0.044","0.029","","","","0.044","","","","","","0.843","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010512","16.317","0.001","8.047","0.001","16.802","0.001","90","","96.97","0.01","90","","2189.8","0.3","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl4 N5 O6 P3 -","- C13 H8 Cl4 N5 O6 P3 -","- C52 H32 Cl16 N20 O24 P12 -","4","1","BM1373","Hökelek, Tuncer; Akduran, Nurcan; Yıldız, Mustafa; Dal, Hakan; Kılıç, Zeynel","2,4-[2,2'-Methylenebis(4-nitrophenoxy)]-2,4,6,6-tetrachlorocyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene (ansa)","Acta Crystallographica Section C","2000","56","1","90","92","10.1107/S0108270199012986","","","1.54184","CuKα","","","0.045","","","","0.052","","","","","","0.85","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010513","6.459","0.0013","15.662","0.003","12.276","0.003","90","","95.51","0.03","90","","1236.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","BM1375","Nesterov, Vladimir N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.","<i>trans</i>,<i>trans</i>-2-Cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide","Acta Crystallographica Section C","2000","56","1","88","89","10.1107/S0108270199012998","","","0.71073","MoKα","","0.167","0.076","","0.306","","0.201","","","1.098","","","1.334","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010514","5.6325","0.0008","5.6325","0.0008","8.045","0.002","90","","90","","120","","221.04","0.07","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","1","0.0833333","","Hirschle, Christian; Röhr, Caroline","Potassium oxoaluminate antimonate(III), K~2~[Al~2~Sb~2~O~7~]","Acta Crystallographica, Section C","2000","56","","05","06","10.1107/S0108270199012184","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010515","11.982","0.002","18.613","0.004","15.078","0.003","90","","102.79","0.03","90","","3279.3","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Rb4 Te16 Zr3 -","- Rb4 Te16 Zr3 -","- Rb16 Te64 Zr12 -","4","0.5","","Anderson, Ashley B.; Wang, Ru-Ji; Li, Jing","Rb~4~Zr~3~Te~16~, a one-dimensional zirconium telluride synthesized from molten salt","Acta Crystallographica, Section C","2000","56","","02","04","10.1107/S0108270199011956","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010516","13.864","0.001","13.339","0.001","16.464","0.001","90","","90","","90","","3044.7","0.4","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo N2 O4 -","- C15 H12 Mo N2 O4 -","- C120 H96 Mo8 N16 O32 -","8","1","DA1090","Nanty, Dominique; Laurent, Marc; Khan, Masood A.; Ashby, Michael T.","<i>fac</i>-Tricarbonyl[bis(2-pyridylmethyl) ether-<i>N</i>,<i>O</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","2000","56","1","35","36","10.1107/S0108270199012123","","","0.71073","MoKα","","0.0342","0.0243","","0.0681","","0.0606","","","1.067","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010517","7.8148","0.0001","10.9332","0.0002","15.4893","0.0003","90","","99.002","0.001","90","","1307.12","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)","","- C22 H18 F12 Fe N4 O4 -","- C22 H18 F12 Fe N4 O4 -","- C44 H36 F24 Fe2 N8 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.045","0.04","","","","0.107","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010518","7.769","","10.9013","0.0001","15.4431","0.0001","90","","99.288","0.001","90","","1290.76","0.015","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')cobalt(II)","","- C22 H18 Co F12 N4 O4 -","- C22 H18 Co F12 N4 O4 -","- C44 H36 Co2 F24 N8 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.063","0.045","","","","0.137","","","","","","1.005","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010519","7.7597","0.0001","10.9286","0.0001","15.3948","0.0003","90","","98.813","0.001","90","","1290.11","0.03","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')nickel(II)","","- C22 H18 F12 N4 Ni O4 -","- C22 H18 F12 N4 Ni O4 -","- C44 H36 F24 N8 Ni2 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.045","0.04","","","","0.112","","","","","","1.011","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010520","11.117","0.003","11.1824","0.0011","11.3444","0.001","70.906","0.008","83.953","0.012","67.355","0.012","1229.6","0.4","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 N6 -","- C29 H30 N6 -","- C58 H60 N12 -","2","1","FG1556","Govindasamy, L.; Velmurugan, D.; Raghukumar, V.; Il-Hawn Suh; Ramakrishnan, V.T.","5-Amino-4-(4-diethylaminophenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","2000","56","1","80","81","10.1107/S0108270199009257","","","0.71069","MoKα","","0.105","0.06","","","","0.18","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010521","9.366","0.003","19.875","0.001","8.204","0.009","90","","90","","90","","1527.2","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Z)-3-benzylidene-N-phenylisoindolin-1-one","(Z)-3-benzylidene-N-phenylisoindolin-1-one","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","FR1206","Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine","Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones","Acta Crystallographica Section C","2000","56","1","85","87","10.1107/S0108270199012445","","","1.5418","CuKα","","0.0517","0.0436","","0.1105","","0.1058","","","1.086","","","1.116","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010522","8.577","0.006","10.542","0.004","18.272","0.004","90","","98.34","0.04","90","","1634.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one","(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","FR1206","Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine","Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones","Acta Crystallographica Section C","2000","56","1","85","87","10.1107/S0108270199012445","","","1.5418","CuKα","","0.0664","0.0483","","0.1097","","0.1029","","","1.027","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010523","7.7564","0.0001","22.3441","0.0005","12.5552","0.0002","90","","97.766","0.001","90","","2155.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","FR1219","Işık, Şamil; Öztürk, Sema; Fun, Hoong-Kun; Ag̃ar, Erbil; Şaşmaz, Selami","5'-Allyl-2'-benzoyloxy-3'-methoxy-4-nitroazobenzene","Acta Crystallographica Section C","2000","56","1","95","96","10.1107/S0108270199012457","","","0.71073","MoKα","","0.1922","0.0655","","","","0.1971","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010524","8.177","0.004","8.517","0.004","10.297","0.004","105.84","0.03","104.42","0.03","111.16","0.03","593.1","0.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C12 H26 Cl4 N2 O4 Pt2 S2 -","2","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.026","","","","0.059","","","","","","2.23","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010525","16.532","0.003","13.868","0.002","10.182","0.004","90","","90","","90","","2334.4","1.1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C48 H104 Cl16 N8 O16 Pt8 S8 -","8","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010526","12.5745","0.0001","12.8844","0.0001","13.0438","0.0001","73.967","0.001","66.242","0.001","62.598","0.001","1706.43","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Lactato-O,O')bis(triphenylphosphine-P)silver(I)","","- C39 H35 Ag O3 P2 -","- C39 H35 Ag O3 P2 -","- C78 H70 Ag2 O6 P4 -","2","1","GD1054","Hanna, John V.; Ng, Seik Weng","Disorder in the lactato group of (lactato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I) corroborated by ^31^P two-dimensional CPCOSY NMR","Acta Crystallographica Section C","2000","56","1","24","25","10.1107/S0108270199012202","","","0.71073","MoKα","","0.039","0.035","","","","0.107","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010527","7.9436","0.0006","15.144","0.0011","16.3075","0.0011","90","","102.208","0.0013","90","","1917.4","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 1,4-dihydro-2,6-dimethyl-3-nitro-4- (6-methyl-2-pyridyl)-5-pyridinecarboxylate","","- C20 H24 N3 O4 -","- C20 H24 N3 O4 -","- C80 H96 N12 O16 -","4","1","GD1058","Parrish, Jonathan C.; Shan, Rudong; Knaus, Edward E.; James, Michael N. G.","Racemic isopropyl 1,4-dihydro-2,6-dimethyl-4-(6-methyl-2-pyridyl)-3-nitropyridine-5-carboxylate hemibenzene solvate","Acta Crystallographica Section C","2000","56","1","107","109","10.1107/S0108270199013049","","","0.71073","MoKα","","0.0726","0.045","","","","0.126","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010528","13.245","0.01","21.984","0.01","30.732","0.01","90","","90","","90","","8948","8","122","0.2","122","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Putidin","S-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Glu:ethylacetate:dihydrate","","- C71 H127 N12 O24 -","- C71 H127 N12 O24 -","- C284 H508 N48 O96 -","4","1","GD1059","Henriksen, Anette; Anthoni, Uffe; Nielsen, Tommy H.; Sørensen, Jan; Christophersen, Carsten; Gajhede, Michael","Cyclic lipoundecapeptide tensin from <i>Pseudomonas fluorescens</i> strain 96.578","Acta Crystallographica Section C","2000","56","1","113","115","10.1107/S0108270199013414","","","1.5418","CuKα","","0.0975","0.0704","","","","0.205","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010529","13.014","0.0009","16.399","0.0015","20.726","0.003","90","0.008","90","0.01","90","0.009","4423.3","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-[hydrotetrakis(trimethylphosphine)Rhodiumchloride/bromide] [(tetrabromobenzene-1,2-diolato)borate] dichloromethane solvate","","- C25 H39 B Br8.27 Cl2.73 O4 P4 Rh -","- C25 H39 B Br8.26 Cl2.74 O4 P4 Rh -","- C100 H156 B4 Br33.04 Cl10.96 O16 P16 Rh4 -","4","1","GD1060","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Robins, Edward G.","Compositional disorder in <i>trans</i>-[RhBr~0.26~Cl~0.74~H(PMe~3~)~4~][B(1,2-O~2~C~6~Br~4~)]·CH~2~Cl~2~","Acta Crystallographica Section C","2000","56","1","50","52","10.1107/S0108270199013554","","","0.71073","MoKα","","0.0703","0.0486","","0.1184","","0.1126","","","1.031","","","1.154","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010530","12.38","0.002","12.38","","12.018","0.003","90","","90","","90","","1841.9","0.5","295","","295","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H32 Al2 N2 -","- C14 H32 Al2 N2 -","- C56 H128 Al8 N8 -","4","0.5","GD1061","Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.","Bis[(μ-cyclopentylamino-<i>N</i>:<i>N</i>)dimethylaluminium(III)]","Acta Crystallographica Section C","2000","56","1","31","32","10.1107/S0108270199012639","","","0.71069","MoKα","","0.124","0.046","","0.0548","0.046","","","","","1.408","1.408","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010531","16.613","0.003","10.557","0.002","11.259","0.002","90","","90","","90","","1974.6","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","0.5","GD1069","Ejsmont, Krzysztof; Kyzioł, Janusz; Nowakowska, Ewa; Zaleski, Jacek","4,4,4',4',7,7'-Hexamethyl-2,2'-spirobichroman","Acta Crystallographica Section C","2000","56","1","93","94","10.1107/S0108270199013190","","","0.71073","MoKα","","0.075","0.046","","","","0.131","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010532","9.343","0.004","21.922","0.008","6.447","0.003","90","","90","","90","","1320.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Ethyl-4'-thio-2'-deoxyuridine sulfoxide monohydrate","","- C11 H18 N2 O6 S -","- C11 H18 N2 O6 S -","- C44 H72 N8 O24 S4 -","4","1","HA1268","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Ethyl-2'-deoxy-4'-thiouridine (<i>R</i>)-<i>S</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","1","116","117","10.1107/S0108270199012548","","","0.71073","MoKα","","0.032","0.031","","0.078","","0.077","","","1.072","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010533","9.5684","0.0002","11.7898","0.0002","24.294","0.001","90","","90.684","0.001","90","","2740.4","0.13","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4,11-dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-κ^4^N)copper(I) hexafluorophosphate","","- C26 H38 Cu F6 N4 P -","- C26 H38 Cu F6 N4 P -","- C104 H152 Cu4 F24 N16 P4 -","4","1","HA1270","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam","Acta Crystallographica Section C","2000","56","1","37","39","10.1107/S010827019901255X","","","0.71073","MoKα","","0.038","0.03","","","","0.078","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010534","9.9695","0.0004","10.561","0.0005","17.7607","0.0008","101.236","0.001","101.105","0.001","109.157","0.001","1664.83","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","[acetonitrile(4,11-dibenzyl-1,4,8,11- tetraazabicyclo[6.6.2]hexadecane-κ^4^N)]copper(II) bis(hexafluorophosphate)","","- C28 H41 Cu F12 N5 P2 -","- C28 H41 Cu F12 N5 P2 -","- C56 H82 Cu2 F24 N10 P4 -","2","1","HA1270","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam","Acta Crystallographica Section C","2000","56","1","37","39","10.1107/S010827019901255X","","","0.71073","MoKα","","0.064","0.055","","","","0.146","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010535","13.9929","0.0011","19.6661","0.0011","24.89","0.003","90","","90","","90","","6849.4","1.1","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 Cd Cl N5 O12 -","- C26 H50 Cd Cl N5 O12 -","- C208 H400 Cd8 Cl8 N40 O96 -","8","2","JA1006","Davies, Philip. J.; Lincoln, Stephen F.; Smith, Christopher B.; Taylor, Max R.; Wainwright, Kevin P.; Wallwork, Kia S.","{Δ-1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) 4-nitrophenolate perchlorate hydrate","Acta Crystallographica Section C","2000","56","1","28","30","10.1107/S0108270199012391","","","0.71073","Mo_Kα","","0.073","0.041","","0.077","","0.07","","","1.471","1.403","1.403","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010536","25.7526","0.0017","4.2348","0.0003","11.2966","0.0007","90","","90","","90","","1231.97","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","11-Methylpyrido[2,3-b]acridine-5,12-dione","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","JA1007","Copp, Brent R.; Lindsay, Brent S.; Oliver, Allen G.; Rickard, Clifton E. F.","11-Methylpyrido[2,3-<i>b</i>]acridine-5,12-dione","Acta Crystallographica Section C","2000","56","1","102","103","10.1107/S0108270199013578","","","0.71073","MoKα","","0.061","0.054","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010537","15.856","0.002","15.856","0.002","29.753","0.005","90","","90","","90","","7480.3","1.8","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Oxovanadiumacetate","tetraphenylphosphonium μ~4~-nitrato-κ^4^O-cyclo- tetrakis(μ-acetato-κO:κO')tetra-μ-oxo-tetrakis[oxovanadium(V)]","","- C32 H32 N O19 P V4 -","- C32 H32 N O19 P V4 -","- C256 H256 N8 O152 P8 V32 -","8","0.5","JZ1345","Wulff-Molder, Dirk; Meisel, Manfred","The cyclic vanadylacetate (C~24~H~20~P)[V~4~O~8~(C~2~H~3~O~2~)~4~(NO~3~)]","Acta Crystallographica Section C","2000","56","1","33","34","10.1107/S0108270199012214","","","0.71073","MoKα","","0.064","0.042","","0.112","0.1","","","","1.015","1.126","1.126","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010538","8.9875","0.0001","15.4363","0.0001","20.0845","0.0002","90","","90","","90","","2786.4","0.05","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(η^5^-isopropyl-tetramethyl-cyclopentadienyl)- (tetrahydroborato-κ^3^H,H',H'')-(tetrahydrofuran)-samarium(III)","","- C28 H50 B O Sm -","- C28 H50 B O Sm -","- C112 H200 B4 O4 Sm4 -","4","1","JZ1369","Schumann, Herbert; Keitsch, Markus R.; Mühle, Stefan H.","Bis(η^5^-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ^3^<i>H</i>,<i>H</i>',<i>H</i>'')(tetrahydrofuran-<i>O</i>)-samarium(III): a lanthanidocene complex with a tridentate tetrahydroborato ligand","Acta Crystallographica Section C","2000","56","1","48","49","10.1107/S0108270199013001","","","0.71073","MoKα","","0.039","0.0309","","","","0.0503","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010539","17.4144","0.0016","10.6767","0.001","15.2187","0.0014","90","","90","","90","","2829.6","0.5","168","2","168","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-bis(4,4-diphenyl-2,5-cyclohexadienone)diselenide","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","","- C36 H26 O2 Se2 -","- C36 H26 O2 Se2 -","- C144 H104 O8 Se8 -","4","0.5","JZ1370","Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","Acta Crystallographica Section C","2000","56","1","123","124","10.1107/S0108270199012743","","","0.71073","MoKα","","0.038","0.031","","0.086","0.081","","","","1.06","1.093","1.093","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010540","9.239","0.002","15.643","0.003","13.859","0.003","90","","102.37","0.02","90","","1956.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(2-amino-1,3-benzothiazole-N^3^)(μ-succinato-O,O',O'',O''')copper(II)]","","- C36 H32 Cu2 N8 O8 S4 -","- C36 H32 Cu2 N8 O8 S4 -","- C72 H64 Cu4 N16 O16 S8 -","2","0.5","KA1341","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Bis(μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[bis(2-amino-1,3-benzothiazole-<i>N</i>^3^)copper(II)]","Acta Crystallographica Section C","2000","56","1","19","21","10.1107/S0108270199013013","","","0.71073","MoKα","","0.067","0.041","","","","0.09","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010541","10.031","0.003","8.2799","0.0017","10.968","0.002","90","","99.274","0.002","90","","899","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ammonium hydrogen squarate‒water (3/2)","","- C4 H6.33 N O4.67 -","- C4 H6.33333 N O4.66667 -","- C24 H38 N6 O28 -","6","1.5","LN1082","Kolev, Tsonko; Glavcheva, Zornitza; Petrova, Rosica; Angelova, Olyana","Ammonium hydrogen squarate‒water (3/2)","Acta Crystallographica Section C","2000","56","1","110","112","10.1107/S0108270199009415","","","0.71073","MoKα","","0.089","0.053","","","","0.146","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010542","6.398","0.0004","9.7142","0.0005","35.119","0.004","90","","90","","90","","2182.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-5α,6β-dihydroxy-bisnorcholanic acid 22\ρigtharrow16 lactone","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","LN1086","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Pomés Hernández, Ramón; Mola, José L.; Serafín Pérez, Carlos; Suárez García, Leticia; Iglesias, Martín A.; Coll Manchado, Francisco","3β-Acetoxy-5α,6β-dihydroxybisnorcholanic acid 22→16 lactone","Acta Crystallographica Section C","2000","56","1","78","79","10.1107/S0108270199011300","","","1.54184","CuKα","","0.0485","0.0457","","0.1329","","0.1329","","","1.051","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010543","5.1813","0.0011","9.2173","0.0018","10.6278","0.0017","87.878","0.014","74.948","0.016","86.653","0.017","489.18","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","L-argininium fluoride hydrogen fluoride","","- C6 H16 F2 N4 O2 -","- C6 H16 F2 N4 O2 -","- C12 H32 F4 N8 O4 -","2","2","LN1087","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Very short F—H···F hydrogen bond in <small>L</small>-argininium fluoride hydrogen fluoride","Acta Crystallographica Section C","2000","56","1","104","106","10.1107/S0108270199011981","","","0.71073","MoKα","","0.049","0.034","","","","0.094","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010544","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","NA1422","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","({-})-(1<i>R</i>,2<i>S</i>,2'<i>R</i>,5<i>R</i>)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","Acta Crystallographica Section C","2000","56","1","74","75","10.1107/S0108270199014122","","","0.71069","MoKα","","0.085","0.05","","","","0.187","","","","","","0.721","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010545","7.5296","0.0011","13.7209","0.0019","11.7587","0.0016","90","","90","","90","","1214.8","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[chloro(1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C6 H8 Cl2 Hg N4 S2 -","- C6 H8 Cl2 Hg N4 S2 -","- C24 H32 Cl8 Hg4 N16 S8 -","4","1","NA1432","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione","Acta Crystallographica Section C","2000","56","1","61","63","10.1107/S0108270199013736","","","0.71073","MoKα","","0.079","0.03","","","","0.064","","","","","","0.897","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010546","8.3695","0.0011","8.5208","0.0011","11.7567","0.0016","101.532","0.002","97.517","0.002","109.958","0.003","753.91","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 Fe N3 O3 -","- C13 H12 Cl2 Fe N3 O3 -","- C26 H24 Cl4 Fe2 N6 O6 -","2","1","OA1093","Kajiwara, Takashi; Ito, Tasuku","[Fe(C~12~H~8~N~3~O~2~)Cl~2~(<i>R</i>OH)], with <i>R</i> = Me and Et","Acta Crystallographica Section C","2000","56","1","22","23","10.1107/S010827019901272X","","","0.71073","MoKα","","0.048","0.035","","","","0.09","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010547","8.5609","0.0006","8.5998","0.0006","12.0245","0.0009","99.744","0.001","99.944","0.001","110.483","0.001","791.13","0.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 Fe N3 O3 -","- C14 H14 Cl2 Fe N3 O3 -","- C28 H28 Cl4 Fe2 N6 O6 -","2","1","OA1093","Kajiwara, Takashi; Ito, Tasuku","[Fe(C~12~H~8~N~3~O~2~)Cl~2~(<i>R</i>OH)], with <i>R</i> = Me and Et","Acta Crystallographica Section C","2000","56","1","22","23","10.1107/S010827019901272X","","","0.71073","MoKα","","0.033","0.028","","","","0.075","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010553","11.392","0.001","18.508","0.002","10.851","0.001","91.87","0.01","102.79","0.01","76.82","0.01","2171.9","0.4","299","","","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(pyridine-N)dicopper(II)","","- C30 H54 Cu2 N2 O8 Si4 -","- C30 H54 Cu2 N2 O8 Si4 -","- C60 H108 Cu4 N4 O16 Si8 -","2","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.053","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010554","10.874","0.002","11.508","0.002","10.33","0.002","104.26","0.02","109.1","0.02","74.91","0.02","1160.9","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(2-methylpyridine-N)dicopper(II)","","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.051","","","","0.079","","","","","","1.39","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010555","11.148","0.003","11.755","0.001","10.563","0.003","110.91","0.01","117.7","0.02","84.23","0.02","1141.3","0.5","297","","","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(3-methylpyridine-N)dicopper(II)","","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.064","","","","0.054","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010556","11.298","0.002","11.495","0.003","10.261","0.003","104.03","0.02","110.1","0.02","76.99","0.02","1199.3","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(quinoline-N)dicopper(II)","","- C38 H58 Cu2 N2 O8 Si4 -","- C38 H58 Cu2 N2 O8 Si4 -","- C38 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.048","","","","0.069","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010557","10.288","0.006","24.692","0.005","13.116","0.005","90","","97.71","0.04","90","","3302","2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-poly[tetrakis(μ-trimethylsilylacetato-O:O')dicopper(II)]","","- C20 H44 Cu2 O8 Si4 -","- C20 H44 Cu2 O8 Si4 -","- C80 H176 Cu8 O32 Si16 -","4","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.0999","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010558","9.105","0.002","35.679","0.007","6.784","0.0014","90","","99.28","0.03","90","","2175","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(Dodecylthio)phenanthrene","","- C26 H34 S -","- C26 H34 S -","- C104 H136 S4 -","4","1","OS1072","Kansikas, Jarno; Sipilä, Kaija","Two 9-alkylthiophenanthrenes at 193K (alkyl = dodecyl and tetradecyl)","Acta Crystallographica Section C","2000","56","1","69","71","10.1107/S0108270199012871","","","1.5418","CuKα","","0.0655","0.0493","","0.1444","","0.1183","","","1.102","","","1.136","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010559","9.1","0.0014","38.696","0.002","6.804","0.008","90","0.03","99.67","0.03","90","0.03","2362","3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 S -","- C28 H38 S -","- C112 H152 S4 -","4","1","OS1072","Kansikas, Jarno; Sipilä, Kaija","Two 9-alkylthiophenanthrenes at 193K (alkyl = dodecyl and tetradecyl)","Acta Crystallographica Section C","2000","56","1","69","71","10.1107/S0108270199012871","","","1.5418","CuKα","","0.1601","0.0687","","0.1829","","0.1416","","","1.038","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010560","8.833","0.0018","16.833","0.003","14.335","0.003","90","","102.65","0.03","90","","2079.7","0.8","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Di-9-anthryl disulfide","","- C28 H18 S2 -","- C28 H18 S2 -","- C112 H72 S8 -","4","1","OS1075","Kansikas, Jarno; Sipilä, Kaija","Di-9-anthryl disulfide at 193K","Acta Crystallographica Section C","2000","56","1","72","73","10.1107/S0108270199012846","","","1.5418","CuKα","","0.071","0.055","","","","0.156","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010561","22.9235","0.0007","9.9309","0.0005","12.8363","0.0007","90","0.01","101.078","0.003","90","0.01","2867.7","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 N4 O2 -","- C33 H38 N4 O2 -","- C132 H152 N16 O8 -","4","1","QA0187","Baouid, A.; Hasnaoui, H.; Benharref, A.; Aatif, A.; Essaber, M.; Lavergne, J. P.; Pierrot, M.","3,3'-Dimesityl-7-methyl-9a-phenyl-4,4',5,5',6,8,9,9a-octahydro-7<i>H</i>-1,2,4-oxadiazolo[4,5-<i>d</i>][1,4]diazepine-8-spiro-5'-isoxazole","Acta Crystallographica Section C","2000","56","1","e25","e26","10.1107/S0108270199016091","","","0.71073","MoKα","","","0.073","","","","0.083","","","","","","1.575","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010562","13.9224","0.0004","9.959","0.0002","25.6952","0.0006","90","","104.518","0.0014","90","","3448.96","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(neophyl)tin","tetrakis(2-methyl-2-phenylpropyl)stannane","","- C40 H52 Sn -","- C40 H52 Sn -","- C160 H208 Sn4 -","4","1","QA0190","Low, John Nicolson; Wardell, J. L","Tetrakis(2-methyl-2-phenylpropyl)stannane at 150K","Acta Crystallographica Section C","2000","56","1","e3","e3","10.1107/S010827019901598X","","","0.71073","MoKα","","0.075","0.038","","","","0.088","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010563","8.999","0.002","10.456","0.004","10.622","0.004","69.218","0.012","79.2","0.02","67.07","0.02","859.2","0.5","123","1","123","1","","","","","","","","2","P -1","-P 1","2","Hexabenyzlbenzene","","","- C48 H42 -","- C48 H42 -","- C48 H42 -","1","0.5","QA0192","Frampton, Christopher S.; Gall, James H.; MacNicol, David D.","Hexabenzylbenzene","Acta Crystallographica Section C","2000","56","1","e22","e22","10.1107/S0108270199016005","","","0.71073","MoKα","","0.043","0.038","","","","0.111","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010564","7.9739","0.0001","14.1721","0.0002","20.3772","0.0002","90","","90","","90","","2302.76","0.05","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","","- C18 H16 Br2 N4 Pt S4 -","- C18 H16 Br2 N4 Pt S4 -","- C72 H64 Br8 N16 Pt4 S16 -","4","0.5","QA0193","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhu, Xu-Hui; Xu, Yan; Chen, Xiao-Feng; You, Xiao-Zeng","Bis[<i>S</i>-methyl 3-(2-bromobenzylidene)dithiocabazato-<i>N</i>^3^,<i>S</i>]platinum(II)","Acta Crystallographica Section C","2000","56","1","e6","e7","10.1107/S010827019901611X","","","0.71073","MoKα","","0.044","0.03","","","","0.084","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010565","9.1857","0.0018","9.6334","0.0019","10.379","0.002","72.44","0.03","88.5","0.03","68.19","0.03","809.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trans-dichlorobis(triphenylphosphine-P)platinum(II)","","","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","1","0.5","","Johansson, Maria H.; Otto, Stefanus","trans-Dichlorobis(triphenylphosphine-P)platinum(II)","Acta Crystallographica, Section C","2000","56","","e12","e15","10.1107/S010827019901608X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010566","9.1857","0.0018","9.6334","0.0019","10.379","0.002","72.44","0.03","88.5","0.03","68.19","0.03","809.1","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","1","0.5","","Johansson, Maria H.; Otto, Stefanus","trans-Dichlorobis(triphenylphosphine-P)platinum(II)","Acta Crystallographica, Section C","2000","56","","e12","e15","10.1107/S010827019901608X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010567","11.903","0.001","10.895","0.002","10.343","0.001","90","","109.76","0.01","90","","1262.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Cyano-2,3-dihydro-2-(tertiobutyloxy)methyl-5H-oxazolo[3,2-a]pyrimidin-5-one,","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","QA0195","Chaimbault, Corinne; Leger, Jean Michel; Bosc, Jean-Jacques; Jarry, Christian","2-<i>tert</i>-Butyloxymethyl-6-cyano-2,3-dihydro-5<i>H</i>-oxazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section C","2000","56","1","e29","e30","10.1107/S0108270199016285","","","1.54178","CuKα","","0.104","0.057","","0.16","","0.1312","","","1.033","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010568","7.355","0.002","8.291","0.003","14.374","0.005","95.78","0.04","98.68","0.04","98.51","0.04","850.1","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Morpholinium-dimorpholidodithiophosphate","","- C12 H26 N3 O3 P S2 -","- C12 H26 N3 O3 P S2 -","- C24 H52 N6 O6 P2 S4 -","2","1","QA0196","Ziemer, Burkhard; Rabis, Annegrit","Morpholinium dimorpholinidodithiophosphate","Acta Crystallographica Section C","2000","56","1","e33","e33","10.1107/S010827019901639X","","","0.71073","MoKα","","0.096","0.057","","0.153","","0.137","","","0.903","","","1.04","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010569","9.552","0.003","11.853","0.007","15.615","0.004","90","","96.47","0.02","90","","1756.7","1.3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 N O3 P -","- C14 H30 N O3 P -","- C56 H120 N4 O12 P4 -","4","1","QA0197","Amedjkouh, Mohamed; Grimaldi, Jacques; Reboul, Jean-Pierre; Siri, Didier","Diethyl [(2<i>RS</i>,5<i>RS</i>)-5-isopropyl-2,3,3-trimethylpyrrolidin-2-yl]phosphonate","Acta Crystallographica Section C","2000","56","1","e31","e32","10.1107/S0108270199016303","","","0.71073","MoKα","","0.107","0.049","","","","0.069","","","","","","1.167","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010570","9.855","0.002","17.306","0.003","10.607","0.002","90","","114.29","0.01","90","","1648.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","none","2,11,13,21,29,31-hexamethyl-5,16,24-triaza-8,19,27-triazoniaheptacyclo- [10.10.6.1^1,3^.1^5,8^.1^10,14^.1^16,19^.1^24,27^]tritriaconta- 1,3(29),6,8(30),10,12,14(31),17,19(32),21,25,27(33)-dodecene tribromide dihydrate","","- C33 H43 Br3 N6 O2 -","- C33 H43 Br3 N6 O2 -","- C66 H86 Br6 N12 O4 -","2","0.5","QA0198","Yuan, Yi; Zhou, Haibing; Jiang, Zhonlin; Yan, Jiaming; Xie, Rugang","A new tribridged imidazolium cyclophane","Acta Crystallographica Section C","2000","56","1","e34","e35","10.1107/S0108270199016406","","","0.71073","MoKα","","0.06","0.034","","","","0.073","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010571","7.67","0.003","19.766","0.005","13.759","0.003","90","","90.63","0.03","90","","2085.8","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-nitro-N,N-bis(2-nitrophenylthio)benzenesulfonamide","","- C18 H12 N4 O8 S3 -","- C18 H12 N4 O8 S3 -","- C72 H48 N16 O32 S12 -","4","1","QB0136","Oguz, Umut; McLaughlin, Mark L.; Fronczek, Frank R.","2-Nitro-<i>N,N</i>-bis(2-nitrophenylthio)benzenesulfonamide","Acta Crystallographica Section C","2000","56","1","e27","e28","10.1107/S0108270199016121","","","0.71073","Mo-Kα","","0.062","0.038","","0.081","","0.04","","","1.32","","","1.483","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010572","9.717","0.002","9.495","0.001","17.542","0.003","90","","97.13","0.01","90","","1606","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-N,N-bis(8-quinoline sulfonylamino)-1,2-diphenylethylenediamine acetone (1\1)","","- C35 H32 N4 O5 S2 -","- C35 H26.006 N4 O5 S2 -","- C70 H52.012 N8 O10 S4 -","2","1","QB0144","Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong","(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1)","Acta Crystallographica Section C","2000","56","1","e21","e21","10.1107/S0108270199015991","","","0.71073","MoKα","","0.0415","0.0319","","","","0.0742","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010573","6.9804","0.0008","19.256","0.002","26.131","0.003","90","","90","","90","","3512.4","0.7","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C7 H11 Br N2 -","- C7 H11 Br N2 -","- C112 H176 Br16 N32 -","16","0.5","QB0146","Mayr-Stein, Ralf; Bolte, Michael","4-Dimethylaminopyridinium bromide","Acta Crystallographica Section C","2000","56","1","e19","e20","10.1107/S0108270199016133","","","0.71073","MoKα","","0.064","0.036","","","","0.1","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010574","10.8971","0.0001","17.7367","0.0001","16.7252","0.0002","90","","94.793","0.001","90","","3221.32","0.05","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(diphenylphosphino)methane](pentane-2,4-dithionato-S,S')nickel(II) hexafluorophosphate","","- C30 H29 F6 Ni P3 S2 -","- C30 H29 F6 Ni P3 S2 -","- C120 H116 F24 Ni4 P12 S8 -","4","1","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.037","0.03","","","","0.083","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010575","11.0458","0.0002","13.485","0.0002","14.5828","0.0001","67.386","0.001","76.105","0.001","72.088","0.001","1889.5","0.05","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Pentane-2,4-dithione[bis(diphenylphosphino)ethane]nickel(II) hexafluorophosphate.","","- C31 H31 F6 Ni P3 S2 -","- C31 H31 F6 Ni P3 S2 -","- C62 H62 F12 Ni2 P6 S4 -","2","1","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.052","0.039","","","","0.104","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010576","10.0345","0.0002","15.8632","0.0002","10.8058","0.0002","90","","94.14","","90","","1715.57","0.05","203","2","203","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Pentane-2,4-dithione[bis(diphenylphosphino)propane]nickel(II) hexafluorophosphate.","","- C32 H33 F6 Ni P3 S2 -","- C32 H33 F6 Ni P3 S2 -","- C64 H66 F12 Ni2 P6 S4 -","2","0.5","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.0505","0.0346","","","","0.0952","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010577","8.6967","0.0017","4.2205","0.0008","10.574","0.002","90","","90","","90","","388.11","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bismuth Selenide Iodide","Bismuth Selenide Iodide","","- Bi I Se -","- Bi I Se -","- Bi4 I4 Se4 -","4","0.5","QB0155","Braun, Thomas P.; DiSalvo, Francis J.","Bismuth selenide iodide","Acta Crystallographica Section C","2000","56","1","e1","e2","10.1107/S0108270199016017","","","0.71073","MoKα","","0.049","0.047","","","","0.123","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010578","5.2729","0.0001","11.6565","0.0003","7.8383","0.0002","90","","94.011","0.001","90","","480.59","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","taurine","2-amino-ethanesulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","QB0156","Görbitz, Carl Henrik; Prydz, Kristian; Ugland, Sigurd","Taurine","Acta Crystallographica Section C","2000","56","1","e23","e24","10.1107/S0108270199016029","","","0.71073","MoKα","","0.028","0.026","","","","0.075","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010579","16.935","0.003","9.0806","0.0007","14.987","0.003","90","","90","","90","","2304.7","0.6","190","2","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 N7 Nd O9 -","- C20 H16 N7 Nd O9 -","- C80 H64 N28 Nd4 O36 -","4","0.5","QB0157","Bower, John F.; Cotton, Simon A.; Fawcett, John; Russell, David R.","Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')tris(nitrato-<i>O</i>,<i>O</i>')neodymium","Acta Crystallographica Section C","2000","56","1","e8","e9","10.1107/S0108270199016157","","","0.71073","MoKα","","0.068","0.047","","","","0.129","","","","","","2.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010580","7.3152","0.0003","7.5917","0.0004","12.3024","0.0006","86.661","0.003","73.172","0.003","81.79","0.03","647.15","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","Hexaaquomagnesium(II) di[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxo- pyrimidin-2-yl)glycinate] dihydrate","","- C14 H32 Mg N10 O16 -","- C14 H32 Mg N10 O16 -","- C14 H32 Mg N10 O16 -","1","0.5","QB0158","Arranz Mascarós, P.; Cobo Domingo, Justo; Godino Salido, M.; Gutiérrez Valero, M. D.; López Garzón, R.; Low, John Nicolson","Hexaaquamagnesium(II) bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate] dihydrate","Acta Crystallographica Section C","2000","56","1","e4","e5","10.1107/S0108270199016145","","","0.71073","MoKα","","0.0498","0.0384","","","","0.1099","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010581","18.359","0.004","6.898","0.001","18.256","0.004","90","","110.62","0.02","90","","2163.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis-(salicylaldeneamino-3- propanolato)manganese(III)] perchlorate","","- C20 H24 Cl Mn N2 O8 -","- C20 H24 Cl Mn N2 O8 -","- C80 H96 Cl4 Mn4 N8 O32 -","4","0.5","QB0160","Zhang, Cungen; Wu, Dan; Sun, Jie; Kong, Xiangfu","Bis[3-(salicylideneamino-<i>O</i>,<i>N</i>)propanolato]manganese(III) perchlorate","Acta Crystallographica Section C","2000","56","1","e10","e11","10.1107/S0108270199016273","","","0.7107","MoKα","","","0.039","","","","0.048","","","","","","1.52","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010582","6.292","0.001","7.735","0.001","6.745","0.003","90","","90.8","0.01","90","","328.24","0.16","157","","157","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","SK1303","Buschmann, Jürgen; Lentz, Dieter; Luger, Peter; Röttger, Matthias","Chlorotrimethylsilane","Acta Crystallographica Section C","2000","56","1","121","122","10.1107/S0108270199012470","","","0.7107","MoKα","","0.066","0.037","","","","0.096","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010583","6.2171","0.0006","12.5197","0.0009","12.2224","0.0009","90","","97.225","0.005","90","","943.79","0.13","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SK1308","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(1<i>R</i>,2<i>R</i>)-2-(4-Methylenecyclohex-2-enyl)propyl (1<i>R</i>,4<i>S</i>)-camphanate","Acta Crystallographica Section C","2000","56","1","76","77","10.1107/S0108270199012561","","","0.71069","MoKα","","0.0477","0.0336","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010584","9.7666","0.0019","5.7576","0.0012","19.754","0.003","90","","94.905","0.014","90","","1106.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Folpet","2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione","","- C9 H4 Cl3 N O2 S -","- C9 H4 Cl3 N O2 S -","- C36 H16 Cl12 N4 O8 S4 -","4","1","SX1096","Carle, A. Björn; Krause Bauer, Jeanette A.; Wilson, R. Marshall","2-Trichloromethylthio-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (Folpet)","Acta Crystallographica Section C","2000","56","1","97","98","10.1107/S0108270199013074","","","0.71073","MoKα","","0.15","0.061","","","","0.157","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010585","8.428","0.001","16.863","0.001","11.869","0.001","90","","98.86","0.01","90","","1666.7","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium Bis(ethylenediamine)copper(II) Ferricyanide","","- C10 H16 Cu Fe K N10 -","- C10 H16 Cu Fe K N10 -","- C40 H64 Cu4 Fe4 K4 N40 -","4","0.5","TA1254","Kang, Bei-Sheng; Tong, Ye-Xiang; Yu, Kai-Bei; Su, Cheng-Yong; Zhang, Hua-Xin","Potassium bis(ethylenediamine)copper(II) ferricyanide","Acta Crystallographica Section C","2000","56","1","40","41","10.1107/S0108270199010173","","","0.71073","MoKα","","0.034","0.027","","","","0.068","","","","","","0.966","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010586","6.843","0.004","12.553","0.007","8.076","0.005","90","0.008","111.37","0.008","90","","646","0.7","158","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br2 Co N2 O4 -","- C4 H14 Br2 Co N2 O4 -","- C8 H28 Br4 Co2 N4 O8 -","2","0.5","TA1257","Depree, Craig V.; Ainscough, Eric W.; Brodie, Andrew M.; Gainsford, Graeme J.; Lensink, Cornelis","H···Br hydrogen bonding in <i>trans</i>-bis(acetonitrile-<i>N</i>)tetraaquacobalt(II) dibromide","Acta Crystallographica Section C","2000","56","1","17","18","10.1107/S0108270199012159","","","0.71073","MoKα","","0.0615","0.0384","","","","0.0869","","","","","","0.904","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010587","9.6119","0.0001","13.4954","0.0001","18.514","0.003","90","","90","","90","","2401.6","0.4","203","2","203","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis(N,N'-dimethylimidazol-2-ylidene)mercury(II) Chlorotriiodomercurate(II) Dimethylsulphoxide solvate.","","- C12 H22 Cl Hg2 I3 N4 O S -","- C12 H22 Cl Hg2 I3 N4 O S -","- C48 H88 Cl4 Hg8 I12 N16 O4 S4 -","4","0.5","TA1265","Clark, Alex M.; Oliver, Allen G.; Rickard, Clifton E. F.; Wright, L. James; Roper, Warren R.","Bis(<i>N,N</i>'-dimethylimidazol-2-ylidene)mercury chlorotriiodomercury dimethyl sulfoxide solvate","Acta Crystallographica Section C","2000","56","1","26","27","10.1107/S0108270199012640","","","0.71073","MoKα","","0.0537","0.0383","","","","0.1099","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010588","8.0507","0.0008","12.0791","0.0012","10.2946","0.0008","90","","97.954","0.008","90","","991.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) diacetate","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano- 2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-N,N'}bis(acetato- O,O')copper(II)","","- C19 H32 Cu N2 O4 -","- C19 H32 Cu N2 O4 -","- C38 H64 Cu2 N4 O8 -","2","1","TA1266","Lee, Yong-Min; Chung, Geewon; Kwon, Mi-A; Choi, Sung-Nak","({-})-Sparteine copper(II) diacetate","Acta Crystallographica Section C","2000","56","1","67","68","10.1107/S0108270199012160","","","0.71069","MoKα","","0.054","0.042","","","","0.101","","","","","","1.315","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010589","8.22","0.002","7.295","0.001","17.47","0.004","90","","100.97","0.02","90","","1028.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-(2,4,6-trimethylphenyl)tetrazole","1-(2,4,6-trimethylphenyl)tetrazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","1","AV1031","Lyakhov, Alexander S.; Ivashkevich, Dmitri O.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.","1-(2,4,6-Trimethylphenyl)-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2000","56","2","256","257","10.1107/S0108270199014742","","","0.71069","MoKα","","0.0907","0.0528","","","","0.1901","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010590","8.818","0.001","8.377","0.001","8.174","0.001","90","","108.51","0.01","90","","572.56","0.12","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-tetrakis(cyanomethyl)benzene","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","0.5","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.079","0.044","","","","0.098","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010591","9.2233","0.0007","11.747","0.001","13.936","0.001","90","","90.451","0.001","90","","1509.9","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl 3,4,5-triacetoxybenzenoate","","- C14 H14 O8 -","- C14 H14 O8 -","- C56 H56 O32 -","4","1","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.05","0.043","","","","0.116","","","","","","1.84","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010592","12.125","0.001","13.72","0.001","7.7247","0.0008","90","","96.722","0.002","90","","1276.21","0.19","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","1","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.0539","0.036","","","","0.089","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010593","13.344","0.005","14.393","0.004","11.683","0.002","93.51","0.03","110","0.02","64.19","0.02","1888","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Tetrabutylbis(N-phthaloylglycinato)distannoxane dimer","octabutyl-1k^2^C,2k^2^C,3k^2^C,4k^2^C-bis-m~3~oxo- 1:2:3k^3^O;1:3:4k^3^O-tetrakis(m-phthalimidoacetato)- 1:2k^2^O;2:3k^2^O:O';3:4k^2^O;1:4k^2^O:O'-tetratin(IV)","","- C72 H96 N4 O18 Sn4 -","- C72 H96 N4 O18 Sn4 -","- C72 H96 N4 O18 Sn4 -","1","0.5","BK1497","Parvez, Masood; Anwar, Saeed; Badshah, Amin; Ahmad, Bashir; Majeed, Abdul; Ashfaq, Muhammad","Tetrabutylbis(<i>N</i>-phthaloylglycinato)distannoxane dimer","Acta Crystallographica Section C","2000","56","2","159","160","10.1107/S0108270199013591","","","0.7107","MoKα","","0.093","0.032","","","","0.082","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010594","7.804","0.013","12.931","0.006","7.49","0.04","91.59","0.16","112.9","0.2","88.12","0.08","696","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-N-(4-cyano-2-nitrophenyl)-3-nitrobenzamide","","- C14 H7 Cl N4 O5 -","- C14 H7 Cl N4 O5 -","- C28 H14 Cl2 N8 O10 -","2","1","BM1358","Cronin, Leroy; Adams, Dave A.; Nightingale, David J.; Clark, James H.","4-Chloro-<i>N</i>-(4-cyano-2-nitrophenyl)-3-nitrobenzamide","Acta Crystallographica Section C","2000","56","2","244","245","10.1107/S0108270199014651","","","0.71069","MoKα","","0.088","0.046","","0.145","0.115","","","","1.053","1.092","1.092","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010595","7.943","0.002","14.448","0.003","15.336","0.003","99.01","0.03","96.19","0.03","91.54","0.03","1726.4","0.7","150","","150","","","","","","","","","6","P -1","-P 1","2","","(1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(1,10-phenanthroline) manganese(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide","","- C38 H26 Mn N6 O7 S2 -","- C38 H26 Mn N6 O7 S2 -","- C76 H52 Mn2 N12 O14 S4 -","2","1","BM1359","Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.","Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{‒^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{‒^}","Acta Crystallographica Section C","2000","56","2","142","145","10.1107/S0108270199012664","","","0.71073","MoKα","","0.069","0.04","","0.107","","0.095","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010596","7.6982","0.0001","31.3359","0.0005","13.2179","0.0002","90","","93.272","0.001","90","","3183.36","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(2,2'-bipyridine) cobalt(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide","","- C34 H26 Co N6 O7 S2 -","- C34 H26 Co N6 O7 S2 -","- C136 H104 Co4 N24 O28 S8 -","4","1","BM1359","Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.","Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{‒^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{‒^}","Acta Crystallographica Section C","2000","56","2","142","145","10.1107/S0108270199012664","","","0.71073","MoKα","","0.043","0.033","","0.073","","0.079","","","","","","1.147","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010597","7.162","0.002","8.2217","0.0015","13.807","0.004","98.1","0.02","99.4","0.02","102.51","0.02","769.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C38 H28 N4 O8 -","2","1","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.096","0.037","","0.125","","0.098","","","0.905","","","1.189","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010598","25.643","0.017","5.206","0.002","16.211","0.01","90","","126.35","0.04","90","","1743","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H8 F6 N2 O4 -","- C19 H8 F6 N2 O4 -","- C76 H32 F24 N8 O16 -","4","0.5","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.167","0.081","","0.471","","0.209","","","1.052","","","1.157","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010599","10.509","0.002","5.0144","0.0007","15.397","0.003","90","","95.35","0.02","90","","807.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F6 N2 O4 -","- C18 H6 F6 N2 O4 -","- C36 H12 F12 N4 O8 -","2","0.5","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.077","0.049","","0.174","","0.146","","","1.075","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010600","7.067","0.004","9.783","0.005","11.44","0.006","90","","103.43","0.03","90","","769.3","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N3 S -","- C5 H11 N3 S -","- C20 H44 N12 S4 -","4","1","BM1372","Parsons, Simon; Smith, Andrew G.; Tasker, Peter A.; White, David J.","Acetone-4-methylthiosemicarbazone at 220K","Acta Crystallographica Section C","2000","56","2","237","238","10.1107/S0108270199014559","","","1.54178","CuKα","","0.0495","0.0431","","","","0.1221","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010601","8.242","0.002","21.782","0.006","12.557","0.003","90","","119.292","0.014","90","","1966.1","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diaquatris(pentane-2,4-dionato-O,O')holmium(III) monohydrate","","- C15 H27 Ho O9 -","- C15 H27 Ho O9 -","- C60 H108 Ho4 O36 -","4","1","BM1374","Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het","Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","Acta Crystallographica Section C","2000","56","2","156","158","10.1107/S0108270199013566","","","0.71073","MoKα","","0.056","0.042","","","","0.099","","","","","","1.151","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010602","11.4903","0.0011","11.0242","0.0006","20.5442","0.0015","90","","93.44","0.007","90","","2597.7","0.3","293","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diaquatris(pentane-2,4-dionato-O,O')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","","- C20 H37 Ho O12 -","- C20 H37 Ho O12 -","- C80 H148 Ho4 O48 -","4","1","BM1374","Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het","Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","Acta Crystallographica Section C","2000","56","2","156","158","10.1107/S0108270199013566","","","0.71073","MoKα","","0.043","0.032","","","","0.069","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010603","15.5849","0.0011","11.6404","0.0006","8.115","0.0007","90","","113.738","0.003","90","","1347.63","0.17","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Bis-(3-{trifluoromethyl}pyrazol-1-yl)pyridine","","- C13 H7 F6 N5 -","- C13 H7 F6 N5 -","- C52 H28 F24 N20 -","4","0.5","BM1377","Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark","2,6-Bis-(3-trifluoromethylpyrazol-1-yl)pyridine","Acta Crystallographica Section C","2000","56","2","213","214","10.1107/S0108270199013852","","","0.71073","MoKα","","0.0693","0.0473","","","","0.1391","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010604","24.928","0.003","7.8409","0.0006","11.5716","0.0012","90","","92.256","0.008","90","","2260","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","chiral bis([2.2]paracyclophan-4-yl)methane","","- C33 H32 -","- C33 H32 -","- C132 H128 -","4","0.5","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0631","0.0452","","0.1306","0.1207","","","","1.024","1.128","1.128","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010605","25.969","0.003","7.72","0.001","23.329","0.003","90","","94.044","0.006","90","","4665.4","1","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","meso-bis([2.2]paracyclophan-4-yl)methane","","- C33 H32 -","- C33 H32 -","- C264 H256 -","8","1","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0541","0.0416","","0.1164","0.1097","","","","1.037","1.116","1.116","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010606","8.1084","0.0012","12.334","0.002","12.826","0.002","94.525","0.012","105.516","0.012","105.779","0.008","1173.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","meso-bis([2.2]paracyclophan-4-yl)sulfide","","- C32 H30 S -","- C32 H30 S -","- C64 H60 S2 -","2","1","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0785","0.0401","","0.0897","0.0813","","","","0.817","0.994","0.994","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010607","15.0766","0.0009","15.0766","0.0009","15.0766","0.0009","90","","90","","90","","3427","0.4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","poly[Bis((2-aminomethyl)methylamine)(μ-hexathiocyanato) triccadmium(II) 1.0 water solvate","","- C16 H32 Cd3 N12 O S6 -","- C16.0002 H32.001 Cd3 N12 O1.0002 S6 -","- C64.0008 H128.004 Cd12 N48 O4.0008 S24 -","4","0.166667","BR1256","Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray","A three-dimensional network of cadmium","Acta Crystallographica Section C","2000","56","2","146","148","10.1107/S010827019901269X","","","0.71073","MoKα","","0.054","0.044","","","","0.129","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010608","6.773","0.002","6.776","0.003","10.122","0.003","71.72","0.03","79.48","0.02","66.64","0.02","404","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","tetrarubidiumtetraoxatin(IV)","","- O4 Rb4 Sn -","- O4 Rb4 Sn -","- O8 Rb8 Sn2 -","2","1","BR1266","Hoch, Constantin; Röhr, Caroline","Rubidium stannate(IV), Rb~4~SnO~4~","Acta Crystallographica Section C","2000","56","2","136","137","10.1107/S0108270199013700","","","0.7107","MoKα","","0.087","0.056","","","","0.15","","","","","","1.101","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010609","11.86","0.01","12.6","0.01","13.02","0.02","74.3","0.1","79.6","0.1","66","0.1","1706","4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H68 N2 Na10 O74 W12 -","- C4 N2 Na10 O74 W12 -","- C4 N2 Na10 O74 W12 -","1","0.5","BR1268","Haruo Naruke; Norio Fukuda; Toshihiro Yamase","Na~10~(glycine)~2~[H~2~W~12~O~42~]·28H~2~O","Acta Crystallographica Section C","2000","56","2","177","178","10.1107/S0108270199014419","","","0.7107","MoKα","","","0.0514","","","","0.0629","","","","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010610","12.864","0.003","14.422","0.003","9.083","0.0018","90","","134.83","0.03","90","","1195.1","0.8","295","2","295","2","","","","","","","","2","C 1 c 1","C -2yc","9","","Lanthanum diarsenide","","- As2 La -","- As2 La -","- As32 La16 -","16","4","BR1274","Wang, Meitian; Mar, Arthur","High-temperature LaAs~2~","Acta Crystallographica Section C","2000","56","2","138","139","10.1107/S0108270199015553","","","0.71073","MoKα","","0.0604","0.0477","","","","0.1036","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010611","19.657","0.012","17.066","0.003","17.67","0.005","90","","90","","90","","5928","4","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(tetra-n-butylammonium) Bis[μ-2-hydroxy-2-phenyl- ethanoato(2-)]-bis[oxomonoperoxovanadate(V)]","","- C56 H92 N2 O15 V2 -","- C56 H92 N2 O15 V2 -","- C224 H368 N8 O60 V8 -","4","0.5","CF1306","Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter","Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate","Acta Crystallographica Section C","2000","56","2","154","155","10.1107/S0108270199013475","","","0.71073","MoKα","","0.098","0.052","","","","0.168","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010612","9.1198","0.0013","9.96","0.002","19.483","0.003","90","","92.176","0.012","90","","1768.4","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(iodobromo)triphenylarsenic","","- C18 H15 As Br I -","- C18 H15 As Br I -","- C72 H60 As4 Br4 I4 -","4","1","CF1314","Cross, Wendy I.; Dahalan, Mohjat Z.; Godfrey, Stephen M.; Jaiboon, Nongnuch; McAuliffe, Charles A.; Pritchard, Robin G.; Thompson, Graeme M.","(Triphenylarsine)iodinemonobromine: a charge-transfer adduct in which arsenic selectively bonds to iodine","Acta Crystallographica Section C","2000","56","2","140","141","10.1107/S0108270199012111","","","0.71073","MoKα","","0.053","0.036","","","","0.089","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010613","6.1333","0.0008","24.365","0.003","8.0681","0.0006","90","","108.496","0.008","90","","1143.4","0.2","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclomicrobuxine","3β-(Dimethylamino)-16α-hydroxy-14-methyl-4-methylene-9,19-cyclo-5α- pregnan-20-one monohydrate","","- C25 H41 N O3 -","- C25 H41 N O3 -","- C50 H82 N2 O6 -","2","1","DA1099","Parvez, Masood; Atta-ur-Rahman; Choudhary, M. Iqbal; Parveen, Shehnaz; Ayatollahi, Syed Abdul Majid","Cyclomicrobuxine monohydrate","Acta Crystallographica Section C","2000","56","2","233","234","10.1107/S0108270199014420","","","0.71069","MoKα","","0.1373","0.0585","","","","0.2554","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010614","6.5156","0.0007","8.2006","0.0011","20.6704","0.0014","90","","90","","90","","1104.5","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,2-dimethyl-1-picrylhydrazine","2,2-dimethyl-1-(2,4,6-trinitro)phenylhydrazine","","- C8 H9 N5 O6 -","- C8 H9 N5 O6 -","- C32 H36 N20 O24 -","4","1","DA1101","Quail, J. Wilson; Weil, John A.; Singh, Malvinder P.","2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine","Acta Crystallographica Section C","2000","56","2","235","236","10.1107/S0108270199014547","","","0.71073","MoKα","","0.0478","0.0384","","","","0.0999","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010615","7.448","0.003","8.514","0.003","9.786","0.003","107.57","0.03","100.99","0.03","94.57","0.03","574.5","0.4","125","","","","","","","","","","","4","P -1","-P 1","2","","3-methylthio-4-propargylthioquinoline","","- C13 H11 N S2 -","- C13 H11 N S2 -","- C26 H22 N2 S4 -","2","1","DE1124","Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas","C[tripleC—H···N hydrogen bonding in 3-methylthio-4-propargylthioquinoline","Acta Crystallographica Section C","2000","56","2","263","264","10.1107/S0108270199016297","","","0.71073","MoKα","","0.0624","0.053","","","","0.1271","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010616","8.905","0.003","5.301","0.001","12.035","0.003","90","","95.4","0.03","90","","565.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N2 O4 S2 -","- C10 H6 N2 O4 S2 -","- C20 H12 N4 O8 S4 -","2","0.5","FG1563","Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel","<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide","Acta Crystallographica Section C","2000","56","2","190","192","10.1107/S0108270199010100","","","1.54056","CuKα","","0.033","0.03","","0.09","","0.088","","","1.093","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010617","9.173","0.002","5.302","0.001","12.239","0.004","90","","93.69","0.02","90","","594","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N2 O4 Se2 -","- C10 H6 N2 O4 Se2 -","- C20 H12 N4 O8 Se4 -","2","0.5","FG1563","Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel","<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide","Acta Crystallographica Section C","2000","56","2","190","192","10.1107/S0108270199010100","","","1.54056","CuKα","","0.033","0.026","","0.075","","0.073","","","1.077","","","1.181","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010618","10.273","0.002","15.238","0.002","11.976","0.002","90","","95.63","0.01","90","","1865.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-chloro-transdimethyl-tin(IV),","","- C16 H19 Cl N4 S Sn -","- C16 H19 Cl N4 S Sn -","- C64 H76 Cl4 N16 S4 Sn4 -","4","1","FR1234","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar","(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)","Acta Crystallographica Section C","2000","56","2","187","189","10.1107/S0108270199015450","","","0.71073","MoKα","","0.052","0.033","","","","0.102","","","","","","1.072","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010619","10.1858","0.0009","15.3819","0.0018","12.0726","0.0007","90","","97.56","0.006","90","","1875.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-bromo-transdimethyl-tin(IV),","","- C16 H19 Br N4 S Sn -","- C16 H19 Br N4 S Sn -","- C64 H76 Br4 N16 S4 Sn4 -","4","1","FR1234","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar","(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)","Acta Crystallographica Section C","2000","56","2","187","189","10.1107/S0108270199015450","","","0.71073","MoKα","","0.12","0.04","","","","0.106","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010620","8.481","0.001","14.206","0.001","18.273","0.001","90","","90.538","0.004","90","","2201.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl N-[4-methoxyphenyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0456","0.0424","","","","0.1221","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010621","9.19","0.001","11.333","0.001","14.756","0.001","89.292","0.007","73.923","0.005","66.722","0.007","1348.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","methyl N-[naphtyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate","","- C28 H30 N O8 -","- C28 H30 N O8 -","- C56 H60 N2 O16 -","2","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0669","0.0652","","","","0.2098","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010622","9.909","0.001","8.519","0.001","23.793","0.001","90","","98.104","0.004","90","","1988.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(3,4,5-trimethoxyphenyl)-1,2,3,5-tetrahydro-11a-naphto[1,8-f,g] indolizine-3-one","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0437","0.0423","","","","0.1207","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010623","10.868","0.001","12.937","0.001","15.049","0.001","90","","96.009","0.004","90","","2104.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(3,4,5-trimethoxyphenyl)-1,2,3,5,12,12a-hexahydronaphto[1,2-f] indolizine-3,12-dione","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0491","0.0399","","","","0.1182","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010624","9.5567","0.0019","20.491","0.004","27.169","0.005","90","","90","","90","","5320.4","1.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Leurosine methiodide-methanol-water (1/3/2)","","","- C50 H75 I N4 O14 -","- C50 H75 I0.996 N4 O14 -","- C200 H300 I3.984 N16 O56 -","4","1","GS1056","Hardouin, Christophe; Doris, Eric; Rousseau, Bernard; Mioskowski, Charles; Nierlich, Martine","Leurosine methiodide‒methanol‒water (1/3/2)","Acta Crystallographica Section C","2000","56","2","225","226","10.1107/S0108270199014055","","","0.71073","MoKα","","0.106","0.073","","","","0.211","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","194542","2020-10-21","18:00:00",""
"2010625","9.709","0.002","13.748","0.002","7.128","0.001","90","","90","","90","","951.4","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mercury(II) polyphosphate","","- Hg O6 P2 -","- Hg O6 P2 -","- Hg8 O48 P16 -","8","1","GS1057","Weil, Matthias; Glaum, Robert","Mercury(II) polyphosphate, Hg(PO~3~)~2~","Acta Crystallographica Section C","2000","56","2","133","135","10.1107/S0108270199014067","","","0.71073","MoKα","","0.039","0.034","","","","0.093","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010626","6.0272","0.0002","18.6624","0.0008","7.3642","0.0003","90","","98.148","0.001","90","","819.98","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S)-(2-N-methyl-N-4-toluenesulfonyl)amino-1-phenyl-1-propanol","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","HA1248","Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","(1<i>R</i>,2<i>S</i>)-2-[<i>N</i>-Methyl-<i>N</i>-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol","Acta Crystallographica Section C","2000","56","2","227","228","10.1107/S0108270198017429","","","0.71073","MoKα","","0.048","0.041","","","","0.104","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010627","7.854","0.001","9.384","0.001","13.23","0.002","101.563","0.002","103.699","0.002","90.184","0.002","926.8","0.2","300","","293","","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O8 -","- C21 H20 O8 -","- C42 H40 O16 -","2","2","JA1004","Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H.","2β-Hydroxy-4'-demethyldesoxypodophyllotoxin","Acta Crystallographica Section C","2000","56","2","199","200","10.1107/S010827019901358X","","","0.71073","MoKα","","0.09","0.04","","0.044","","0.044","","","1.07","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010628","7.5821","0.0016","7.613","0.002","22.27","0.003","99.469","0.016","96.999","0.012","94.79","0.02","1251.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-cyano-N-(4-methoxybenzylidene)phenylamine N-oxide","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","2","JA1009","Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan","<i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone","Acta Crystallographica Section C","2000","56","2","231","232","10.1107/S0108270199014596","","","0.71069","MoKα","","0.103","0.056","","","","0.177","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010629","15.151","0.003","12.739","0.003","10.5509","0.0013","90","","97.888","0.013","90","","2017.1","0.7","291","","291","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O8 S4 -","- C14 H16 N4 O8 S4 -","- C56 H64 N16 O32 S16 -","4","0.5","JA1010","Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan","4,17,25,26-Tetraaza-6,9,12,15-tetraoxa-2,19,21,24-tetrathiatricyclo[18.4.1^1,4^.1^17,20^]hexacosa-1(25),20(26)-diene-3,5,16,18-tetraone","Acta Crystallographica Section C","2000","56","2","229","230","10.1107/S0108270199014353","","","0.71069","MoKα","","0.0984","0.0442","","","","0.0915","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010630","11.415","0.004","11.415","0.004","8.0552","0.0008","90","","90","","120","","909","0.5","293","2","291","2","","","","","","","","7","P 3","P 3","143","","","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","1","0.333333","KA1333","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6)","Acta Crystallographica Section C","2000","56","2","149","151","10.1107/S0108270199013116","","","0.71073","MoKα","","0.047","0.047","","","","0.144","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010631","13.238","0.0011","5.9089","0.0004","16.3148","0.0015","90","","111.335","0.009","90","","1188.72","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid . L-(-)-ephedrine","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid L-(-)-ephedrine","","- C25 H28 Cl2 N2 O3 -","- C25 H28 Cl2 N2 O3 -","- C50 H56 Cl4 N4 O6 -","2","1","KA1342","Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer","Absolute configuration of ({-})-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists","Acta Crystallographica Section C","2000","56","2","250","251","10.1107/S0108270199014699","","","0.71069","MoKα","","0.0769","0.0398","","","","0.0718","","","","","","0.721","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010632","5.4741","0.0009","7.3018","0.0007","26.791","0.003","90","","90","","90","","1070.9","0.2","134","2","134","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.04","0.037","","","","0.111","","","","","","1.393","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010633","6.7109","0.0014","6.7653","0.0007","22.846","0.003","90","","90","","90","","1037.2","0.3","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.053","0.039","","","","0.09","","","","","","1.114","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010634","29.356","0.006","5.3068","0.0007","7.353","0.0011","90","","93.215","0.01","90","","1143.7","0.3","154","2","154","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose hemihydrate","","- C11 H14 F O4.5 -","- C11 H14 F O4.5 -","- C44 H56 F4 O18 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.036","0.034","","","","0.1","","","","","","1.486","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010635","14.684","0.002","4.6609","0.0006","15.772","0.002","90","","99.476","0.011","90","","1064.7","0.2","134","2","134","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2,4-difluorophenyl)-β-D-ribofuranose","","- C11 H12 F2 O4 -","- C11 H12 F2 O4 -","- C44 H48 F8 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.052","0.046","","","","0.122","","","","","","1.4","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010636","9.342","0.001","9.106","0.001","16.208","0.001","90","","92.58","0.01","90","","1377.4","0.2","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C60 H48 N16 O4 S4 -","4","1","KA1344","Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin","3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue","Acta Crystallographica Section C","2000","56","2","222","224","10.1107/S0108270199014079","","","0.71073","MoKα","","","0.038","","","","0.043","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010637","8.799","0.002","9.302","0.001","15.5437","0.0001","90","","97.4","0.01","90","","1261.6","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O S -","- C14 H10 N4 O S -","- C56 H40 N16 O4 S4 -","4","1","KA1344","Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin","3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue","Acta Crystallographica Section C","2000","56","2","222","224","10.1107/S0108270199014079","","","0.71073","MoKα","","","0.037","","","","0.042","","","","","","0.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010638","6.9997","0.0012","7.4134","0.0014","12.348","0.002","105.627","0.003","90.456","0.004","95.905","0.003","613.37","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","p-Nitrocatechol sulfate","2-Hydroxy-5-nitrophenyl sulfate","","- C6 H7 K2 N O9 S -","- C6 H7 K2 N O9 S -","- C12 H14 K4 N2 O18 S2 -","2","1","KA1345","von Bülow, Rixa; Usón, Isabel","The dipotassium salt of <i>p</i>-nitrocatechol sulfate","Acta Crystallographica Section C","2000","56","2","152","153","10.1107/S0108270199013426","","","0.71073","MoKα","","0.0454","0.0351","","","","0.0973","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010639","18.944","0.003","18.944","0.003","6.3326","0.0011","90","","90","","90","","2272.6","0.6","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Sodium diphenylacetate","","- C14 H11 Na O2 -","- C14 H11 Na O2 -","- C112 H88 Na8 O16 -","8","1","LN1088","Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.","Sodium diphenylacetate, an infinite columnar structure","Acta Crystallographica Section C","2000","56","2","168","170","10.1107/S0108270199014080","","","0.71073","MoKα","","0.078","0.038","","","","0.106","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010640","6.221","0.001","22.263","0.001","9.411","0.001","90","","97.3","0.02","90","","1292.8","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine N-oxide","","- C12 H9 N3 O7 -","- C12 H9 N3 O7 -","- C48 H36 N12 O28 -","4","1","NA1431","Moreno-Fuquen, Rodolfo; Ribeiro de Castro, Eustaquio Vinicius; Moreno, Margarita; De Almeida Santos, Regina Helena; Montaño, Angela Marcela","1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","2","206","207","10.1107/S0108270199013724","","","0.71073","MoKα","","0.094","0.044","","0.132","0.094","","","","1.077","1.033","1.033","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010641","10.5062","0.0005","8.594","0.0004","6.3562","0.0003","90","","90","","90","","573.9","0.05","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","1-methyl-3-nitro-pyrazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","0.5","NA1434","Foces-Foces, C.; Jagerovic, N.; Elguero, J.","Weak C‒H···O and C‒H···N interactions in nitropyrazoles","Acta Crystallographica Section C","2000","56","2","215","218","10.1107/S0108270199013876","","","1.54178","CuKα","","0.043","0.043","","0.045","","0.045","","","1.016","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010642","7.4197","0.0008","10.1803","0.0015","8.3529","0.001","90","","112.924","0.008","90","","581.1","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-4-nitropyrazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","1","NA1434","Foces-Foces, C.; Jagerovic, N.; Elguero, J.","Weak C‒H···O and C‒H···N interactions in nitropyrazoles","Acta Crystallographica Section C","2000","56","2","215","218","10.1107/S0108270199013876","","","1.54178","CuKα","","0.081","0.071","","0.087","","0.08","","","0.998","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010643","91.116","0.017","4.932","0.004","8.997","0.01","90","","93.01","0.04","90","","4038","6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","γ-form of n-Eicosanol","","- C20 H42 O -","- C20 H42 O -","- C160 H336 O8 -","8","1","NA1435","Michaud, François; Ventolà, Lourdes; Calvet, M. Teresa; Cuevas-Diarte, Miquel Angel; Solans, Xavier; Font-Bardía, Mercé","The γ-form of <i>n</i>-eicosanol","Acta Crystallographica Section C","2000","56","2","219","221","10.1107/S010827019901392X","","","0.71069","MoKα","","0.07","0.041","","","","0.159","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010644","8.867","0.001","4.8579","0.0002","29.39","0.002","90","","96.05","0.01","90","","1258.92","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","morpholine β-iodophenylacetylene complex (1:1)","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","NA1436","Batsanov, Andrei S.; Howard, Judith A. K.","Morpholine‒β-iodophenylacetylene (1/1) revisited: an exceptionally short I···N contact","Acta Crystallographica Section C","2000","56","2","252","253","10.1107/S0108270199014705","","","0.71073","MoKα","","0.032","0.0286","","","","0.0583","","","","","","1.295","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010645","14.134","0.002","12.491","0.002","12.063","0.002","90","","119.483","0.01","90","","1853.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(4-Hydroxybenzylidene)amino]-1,2,4-triazole Hemihydrate","","- C9 H9 N4 O1.5 -","- C9 H9 N4 O1.5 -","- C72 H72 N32 O12 -","8","1","NA1438","Zhu, Dun-Ru; Xu, Yan; Liu, Yong-Jiang; Song, You; Zhang, Yong; You, Xiao-Zeng","4-(4-Hydroxybenzylideneamino)-4<i>H</i>-1,2,4-triazole hemihydrate","Acta Crystallographica Section C","2000","56","2","242","243","10.1107/S0108270199014572","","","0.71073","MoKα","","0.0874","0.0567","","0.1847","","0.1554","","","1.102","","","1.166","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010646","5.787","0.001","29.089","0.003","11.881","0.001","90","","100.49","0.01","90","","1966.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","1","NA1439","Bruno, Giuseppe; Nicoló, Francesco; Panzalorto, Manuela; Gattuso, Mario; La Torre, G. Loredana","(<i>E</i>)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole","Acta Crystallographica Section C","2000","56","2","254","255","10.1107/S0108270199014675","","","0.71073","MoKα","","0.069","0.034","","0.079","0.072","","","","0.835","0.835","0.835","","","","","has coordinates,has disorder,has Fobs","201957","2020-10-21","18:00:00",""
"2010647","16.983","0.004","8.863","0.002","9.784","0.004","90","","103.67","0.03","90","","1431","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5(6H)-one","","- C16 H11 Cl N4 O -","- C16 H11 Cl N4 O -","- C64 H44 Cl4 N16 O4 -","4","1","NA1441","Alberto Borassi; Maria M. Carnasciali; Angelo Mugnoli; Giorgio Roma","8-Chloro-6-phenyl-4<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepin-5(6<i>H</i>)-one","Acta Crystallographica Section C","2000","56","2","258","259","10.1107/S0108270199014754","","","0.7107","MoKα","","","0.04","","","","0.1098","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010648","14.923","0.002","9.9557","0.001","15.728","0.002","90","","95.088","0.01","90","","2327.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dicyclohexyldithiophosphinato-S,S')-[2-(2-pyridyl-N)phenyl]mercury(II)","","- C23 H30 Hg N P S2 -","- C23 H30 Hg N P S2 -","- C92 H120 Hg4 N4 P4 S8 -","4","1","NA1445","Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio","(Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II)","Acta Crystallographica Section C","2000","56","2","182","183","10.1107/S0108270199015048","","","0.71073","MoKα","","0.119","0.039","","","","0.103","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010649","9.731","0.002","9.638","0.001","13.772","0.001","90","","107.66","0.01","90","","1230.8","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Octacarbonyl-bis(μ-4-methoxyphenyl-sulphido)-dirhenium","","- C22 H14 O10 Re2 S2 -","- C22 H14 O10 Re2 S2 -","- C44 H28 O20 Re4 S4 -","2","0.5","NA1446","Flörke, Ulrich; Egold, Hans; Schwarze, Detlev","Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores","Acta Crystallographica Section C","2000","56","2","184","186","10.1107/S0108270199015152","","","0.71073","MoKα","","0.0339","0.0262","","","","0.0627","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010650","24.561","0.003","9.378","0.003","23.722","0.003","90","","112.63","0.01","90","","5043.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexacarbonyl-bis(dicyclohexylphosphane)-bis(μ-naphthyl- sulfido)-dirhenium","","- C50 H60 O6 P2 Re2 S2 -","- C50 H60 O6 P2 Re2 S2 -","- C200 H240 O24 P8 Re8 S8 -","4","0.5","NA1446","Flörke, Ulrich; Egold, Hans; Schwarze, Detlev","Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores","Acta Crystallographica Section C","2000","56","2","184","186","10.1107/S0108270199015152","","","0.71073","MoKα","","0.1351","0.0469","","","","0.1174","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010651","9.505","0.002","11.2518","0.0009","9.464","0.002","103.1","0.01","110.52","0.01","87.93","0.01","922.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N6 O6 Pt -","- C14 H22 N6 O6 Pt -","- C28 H44 N12 O12 Pt2 -","2","1","OA1096","Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions","Acta Crystallographica Section C","2000","56","2","171","173","10.1107/S0108270199014109","","","0.71069","MoKα","","0.0381","0.0263","","","","0.061","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010652","12.84","0.002","10.7834","0.0009","14.727","0.002","90","","107.051","0.009","90","","1949.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N6 O8 Pt -","- C14 H26 N6 O8 Pt -","- C56 H104 N24 O32 Pt4 -","4","1","OA1096","Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions","Acta Crystallographica Section C","2000","56","2","171","173","10.1107/S0108270199014109","","","0.71069","MoKα","","0.0479","0.0271","","","","0.0653","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010653","8.7942","0.0011","12.3337","0.0015","17.291","0.002","90","","101.201","0.002","90","","1839.7","0.4","298","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride","Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride","","- C4 H24 Cl3 O8 S2 Y -","- C4 H24 Cl3 O8 S2 Y -","- C16 H96 Cl12 O32 S8 Y4 -","4","1","OS1077","Kristiansson, Olof; Lindqvist-Reis, Patric","Hexaaquabis(dimethyl sulfoxide)yttrium(III) trichloride","Acta Crystallographica Section C","2000","56","2","163","164","10.1107/S0108270199014092","","","0.71073","MoKα","","0.094","0.0442","","","","0.0986","","","","","","0.941","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010654","7.2661","0.001","12.2749","0.0018","14.803","0.002","90","","95.084","0.002","90","","1315.1","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-aminopyridine)silver(I)nitrate","Bis(4-aminopyridine)silver(I)nitrate","","- C10 H12 Ag N5 O3 -","- C10 H12 Ag N5 O3 -","- C40 H48 Ag4 N20 O12 -","4","0.5","OS1082","Kristiansson, Olof","Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate","Acta Crystallographica Section C","2000","56","2","165","167","10.1107/S0108270199014432","","","0.71073","MoKα","","0.0419","0.0331","","","","0.0941","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010655","8.9276","0.0007","11.1291","0.0009","19.7562","0.0015","90","","90","","90","","1962.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tris(2,6-diaminopyridine)silver(I)nitrate ?","","- C15 H21 Ag N10 O3 -","- C15 H21 Ag N10 O3 -","- C60 H84 Ag4 N40 O12 -","4","1","OS1082","Kristiansson, Olof","Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate","Acta Crystallographica Section C","2000","56","2","165","167","10.1107/S0108270199014432","","","0.71073","MoKα","","0.0311","0.024","","","","0.0545","","","","","","0.937","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010656","11.374","0.002","11.374","","22.939","0.003","90","","90","","90","","2967.6","0.7","298.2","","298.2","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C136 H112 O32 S8 -","8","1","QA0199","Shashi Rekha, K.; Vyas, K.; Haricharan Raju, C. M.; Chandrashekar, B.; Om Reddy, G.","Viox, a COX-II inhibitor","Acta Crystallographica Section C","2000","56","2","e68","e68","10.1107/S0108270100001062","","","1.5418","CuKα","","0.042","0.042","","0.059","","0.059","","","1.74","","","1.74","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010657","9.9277","0.0002","16.4556","0.0003","12.4895","0.0002","90","","97.594","0.001","90","","2022.47","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionyl-L-alanine 2-propanol solvate","","- C14 H32 N2 O5 S -","- C14 H32 N2 O5 S -","- C56 H128 N8 O20 S4 -","4","2","QA0200","Görbitz, Carl Henrik","<small>L</small>-Methionyl-<small>L</small>-alanine‒2-propanol (1/2)","Acta Crystallographica Section C","2000","56","2","e64","e65","10.1107/S0108270100000548","","","0.71073","MoKα","","0.117","0.078","","","","0.202","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010658","11.0306","0.0019","15.111","0.003","17.554","0.003","84.38","0.02","80.36","0.02","85.82","0.02","2866","0.9","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","Triphenylphoshine","","- C18 H15 P -","- C18 H15 P -","- C144 H120 P8 -","8","4","QA0201","Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger","Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide","Acta Crystallographica Section C","2000","56","2","e58","e59","10.1107/S0108270100000433","","","0.71073","MoKα","","0.0646","0.0422","","","","0.1114","","","","","","0.919","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010659","9.542","0.003","11.207","0.003","14.537","0.004","88.89","0.04","80.39","0.04","78.28","0.03","1500.6","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Triphenylphosphinsulfide","","- C18 H15 P S -","- C18 H15 P S -","- C72 H60 P4 S4 -","4","2","QA0201","Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger","Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide","Acta Crystallographica Section C","2000","56","2","e58","e59","10.1107/S0108270100000433","","","0.71073","MoKα","","0.0387","0.0293","","","","0.0786","","","","","","0.974","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010660","16.645","0.002","25.768","0.002","7.066","0.003","90","","90","","90","","3030.7","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Oleana-12(13), 15(16)-diene-3α, 28 diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C136 H208 O16 -","4","1","QA0202","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara","Oleana-12(13),15(16)-diene-3α,28-diyl diacetate","Acta Crystallographica Section C","2000","56","2","e60","e61","10.1107/S0108270100000445","","","1.54178","CuKα","","0.0502","0.0463","","0.141","","0.1367","","","1.123","","","1.162","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010661","6.4976","0.0004","12.729","0.001","14.741","0.001","73.4","0.01","81.98","0.01","74.61","0.01","1123.81","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis(ethylenediamine)pyrimidinyl-2-carboxylato Co(3+) trifluoromethanesulfonate dihydrate","","- C11 H23 Co F6 N6 O10 S2 -","- C11 H23 Co F6 N6 O10 S2 -","- C22 H46 Co2 F12 N12 O20 S4 -","2","1","QA0203","Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna","Bis(ethylenediamine-<i>N</i>,<i>N</i>')(pyrimidine-2-carboxylato-<i>N</i>^1^,<i>O</i>)cobalt(III) bis(trifluoromethanesulfonate) dihydrate","Acta Crystallographica Section C","2000","56","2","e51","e52","10.1107/S0108270100000561","","","0.71073","MoKα","","0.0815","0.037","","","","0.0989","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010662","6.1467","0.0012","8.075","0.003","5.77","0.002","101.93","0.03","108.27","0.02","76.65","0.02","261.79","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","1","0.5","QA0205","Kabak, Mehmet; Elerman, Yalçin; Ünalerog̋lu, Canan; Mert, Yüksel; Durlu, T.Nuri","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium dichloride","Acta Crystallographica Section C","2000","56","2","e66","e67","10.1107/S0108270100001050","","","0.71069","MoKα","","0.053","0.046","","","","0.127","","","","","","1.355","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010663","10.868","0.0014","12.5889","0.0016","13.835","0.002","114.432","0.013","109.881","0.013","95.87","0.014","1554","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-chloro-bis{1,2-bis(diphenylphosphino)ethane}dipalladium(II) bis(tetrafluoroborate).2CDCl~3~","","- C54 H48 B2 Cl8 D2 F8 P4 Pd2 -","- C54 H50 B2 Cl8 F8 P4 Pd2 -","- C54 H50 B2 Cl8 F8 P4 Pd2 -","1","0.5","QA0208","Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard","Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solvate","Acta Crystallographica Section C","2000","56","2","e44","e45","10.1107/S0108270100000639","","","0.71073","MoKα","","0.056","0.042","","","","0.114","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010664","7.4055","0.0002","10.3008","0.0004","13.6543","0.0005","79.896","0.001","79.283","0.002","85.338","0.002","1006.27","0.06","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N2 O3 P -","- C23 H19 N2 O3 P -","- C46 H38 N4 O6 P2 -","2","1","QA0211","Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel","4-(Diphenylphosphinoyl)-3-methyl-<i>N</i>-phenyl-1,2-isoxazole-5-carboxamide","Acta Crystallographica Section C","2000","56","2","e72","e72","10.1107/S0108270100001098","","","0.71069","MoKα","","0.051","0.035","","","","0.096","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010665","7.64","0.002","12.7121","0.0014","10.2205","0.0007","90","","91.668","0.011","90","","992.2","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclo- penta[c]indene","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","QA0212","Tam, William; Handerson, Sean; Ferguson, George","2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1<i>H</i>,9<i>H</i>-5-oxa-4-azacyclopenta[<i>c</i>]indene","Acta Crystallographica Section C","2000","56","2","e71","e71","10.1107/S0108270100001086","","","0.7107","MoKα","","0.0668","0.0442","","","","0.109","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010666","10.652","0.001","7.002","0.001","16.427","0.001","90","","93.36","0.01","90","","1223.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Br2 N O Sn -","- C7 H15 Br2 N O Sn -","- C28 H60 Br8 N4 O4 Sn4 -","4","1","QA0215","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","A 1:1 adduct between dimethyltin dibromide and <i>N</i>-methylpyrrolidinone (NMP)","Acta Crystallographica Section C","2000","56","2","e53","e54","10.1107/S0108270100001104","","","0.71069","MoKα","","0.029","0.024","","","","0.059","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010667","10.3136","0.0003","12.124","0.001","27.139","0.003","100.346","0.009","93.422","0.007","97.605","0.007","3296.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","iso-Propylxanthatotriphenyltin","","- C22 H22 O S2 Sn -","- C22 H22 O S2 Sn -","- C132 H132 O6 S12 Sn6 -","6","3","QB0127","Ng, Seik Weng; Rae, A. David","A pseudosymmetric triclinic modification of triphenyltin isopropylxanthate","Acta Crystallographica Section C","2000","56","2","e47","e48","10.1107/S0108270100000457","","","0.71073","MoKα","","0.085","0.05","","","","0.09","","","","","","1.45","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010668","12.26","0.003","15.025","0.002","16.347","0.003","90","","99","0.02","90","","2974.2","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl[1,3-bis(diphenylphosphino)propane]palladium(II) hemitoluene","","- C32.5 H36 P2 Pd -","- C32.5 H36 P2 Pd -","- C130 H144 P8 Pd4 -","4","1","QB0151","Abu-Surrah, Adnan S.; Debaerdemaeker, Tony; Huhn, Wolfgang; Rieger, Bernhard; Klinga, Martti; Repo, Timo; Leskelä, Markku","An alkyl‒palladium(II) complex with a bidentate phosphine ligand: [1,3-bis(diphenylphosphino)propane-<i>P</i>,<i>P</i>']dimethylpalladium(II) toluene hemisolvate","Acta Crystallographica Section C","2000","56","2","e42","e43","10.1107/S0108270100000391","","","0.71073","MoKα","","0.03","0.023","","","","0.062","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010669","6.8709","0.0001","6.8709","0.0001","29.0432","0.0002","90","","90","","90","","1371.11","0.03","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Zirconium dihydroxide chromate","","- Cr H2 O6 Zr -","- Cr O6 Zr -","- Cr12 O72 Zr12 -","12","0.375","QB0152","Casari, Barbara M.; Langer, Vratislav","Zirconium dihydroxide chromate","Acta Crystallographica Section C","2000","56","2","e36","e37","10.1107/S0108270100000421","","","0.71073","MoKα","","0.031","0.025","","","","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010670","11.953","0.002","18.433","0.004","11.954","0.002","90","","114.86","0.03","90","","2389.8","1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,5-bis(ferrocenylmethylthio)-1,3-dithiole-2-one","","- C25 H22 Fe2 O S4 -","- C25 H22 Fe2 O S4 -","- C100 H88 Fe8 O4 S16 -","4","1","QB0159","Chohan, Zahid, H.; Howie, R. Alan; Wardell, James L.; Low, John Nicolson","4,5-Bis(ferrocenylmethylthio)-1,3-dithiol-2-one","Acta Crystallographica Section C","2000","56","2","e46","e46","10.1107/S0108270100000408","","","0.71073","MoKα","","0.155","0.056","","","","0.148","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010671","24.225","0.003","8.307","0.003","25.396","0.002","90","","113.505","0.005","90","","4686.6","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H33 N6 O11.5 Pd -","- C14 H33 N6 O11.5 Pd -","- C112 H264 N48 O92 Pd8 -","8","1","QB0161","Noguchi, Kishie; Yuge, Hidetaka; Miyamoto, Takeshi Ken","An organopalladium(II) compound including enolate oxygen- and <i>sp</i>^3^-carbon-bound 1,3-dimethylbarbiturate ligands: (1,2-diaminoethane)bis(1,3-dimethylbarbiturato)palladium(II) 5.5-hydrate","Acta Crystallographica Section C","2000","56","2","e40","e41","10.1107/S010827010000041X","","","0.71069","MoKα","","0.068","0.032","","","","0.08","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010672","18.3948","0.0013","7.4649","0.0014","13.2477","0.0016","90","","124.752","0.004","90","","1494.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Cl2 Ir N5 O4 -","- C8 H18 Cl2 Ir N5 O4 -","- C32 H72 Cl8 Ir4 N20 O16 -","4","0.5","QB0165","Ohashi, Masataka; Kajiyama, Kazumasa; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Ammonium dichlorobis(dimethylglyoximato-<i>N</i>,<i>N</i>')iridate(III)","Acta Crystallographica Section C","2000","56","2","e38","e39","10.1107/S010827010000038X","","","0.71069","MoKα","","0.0251","0.0139","","","","0.0345","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010673","10.758","0.002","15.879","0.003","11.04","0.002","90","","112.74","0.01","90","","1739.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","3-Ethoxy-4-[(1'R,2'S)-(2'-hydroxy-1',2'-diphenyl)ethylamino]-3-cyclobutene- 1,2-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","2","QB0166","Zhou, Haibing; Yuan, Yi; Chan, Albert S. C.; Yang, Teng-Kuei; Xie, Rugang","The new chiral ligand 3-ethoxy-4-[(1<i>R</i>,2<i>S</i>)-(2-hydroxy-1,2-diphenylethyl)amino]-3-cyclobutene-1,2-dione","Acta Crystallographica Section C","2000","56","2","e57","e57","10.1107/S0108270100000378","","","0.71073","MoKα","","0.07","0.038","","","","0.073","","","","","","0.846","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010674","34.497","0.007","7.796","0.002","7.503","0.002","90","","95.12","0.03","90","","2009.8","0.9","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dodecyl 2-nitrophenyl disulphide","","- C18 H29 N O2 S2 -","- C18 H29 N O2 S2 -","- C72 H116 N4 O8 S8 -","4","1","QB0167","Low, John Nicolson; Wardell, James L.","Dodecyl 2-nitrophenyl disulphide","Acta Crystallographica Section C","2000","56","2","e62","e62","10.1107/S0108270100000470","","","0.71073","MoKα","","0.143","0.07","","","","0.21","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010675","10.0818","0.0003","16.122","0.0007","13.7747","0.0006","90","","90","","90","","2238.92","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-aminoethoxybis(2-thienyl)boron","","- C10 H12 B N O S2 -","- C10 H12 B N O S2 -","- C80 H96 B8 N8 O8 S16 -","8","1","QB0168","Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L.","(2-Aminoethoxy)bis(2-thienyl)boron","Acta Crystallographica Section C","2000","56","2","e63","e63","10.1107/S0108270100000482","","","0.71073","MoKα","","0.074","0.046","","","","0.122","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010676","7.488","0.003","12.475","0.005","18.176","0.006","90","","97.15","0.03","90","","1684.7","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[(3-aminopropyl)aminopropyliminomethyl]imidazolato-N, N', N'', N'''}- (methanol-O)copper(II) perchlorate.","","- C11 H22 Cl Cu N5 O5 -","- C11 H22 Cl Cu N5 O5 -","- C44 H88 Cl4 Cu4 N20 O20 -","4","1","QB0169","Pajunen, Aarne; Cámara, Fernando; Dominques-Vera, Jose M.; Colacio, Enrique","{2-[(3-Aminopropyl)aminopropyliminomethyl]imidazolato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(methanol-<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","2000","56","2","e49","e50","10.1107/S0108270100000494","","","0.71073","MoKα","","0.047","0.041","","","","0.111","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010677","13.8148","0.0016","13.8148","0.0016","13.8148","0.0016","90","","90","","90","","2636.5","0.5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Bis(tetramethylammonium)Nonadecaoxohexamolybdenum(VI) Solvate Hydrate","","- C8 H24 Mo6 N2 O20 -","- C8 H24 Mo6 N2 O20 -","- C32 H96 Mo24 N8 O80 -","4","0.0208333","QB0170","Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui","Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate","Acta Crystallographica Section C","2000","56","2","e55","e56","10.1107/S0108270100001116","","","0.71073","MoKα","","0.039","0.034","","","","0.095","","","","","","1.326","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010678","7.199","0.001","12.896","0.001","25.077","0.003","90","","90","","90","","2328.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1:1 Complex of 4-Nitrophenol and 4-Methyl-Pyridine","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","QB0172","Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi","The 1:1 complex of 4-nitrophenol and 4-methylpyridine","Acta Crystallographica Section C","2000","56","2","e69","e70","10.1107/S0108270100001074","","","0.71073","MoKα","","0.118","0.037","","","","0.077","","","","","","0.81","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010679","6.877","0.001","9.787","0.001","15.547","0.002","90","","96.91","0.02","90","","1038.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","SK1328","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","Two phenanthroline hydrochlorides","Acta Crystallographica Section C","2000","56","2","208","210","10.1107/S0108270199013815","","","0.71073","MoKα","","0.1377","0.0679","","0.1498","0.1247","0.1498","","","1.05","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010680","26.017","0.003","7.222","0.001","19.461","0.002","90","","90.77","0.01","90","","3656.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl7 N6 -","- C37 H29 Cl7 N6 -","- C148 H116 Cl28 N24 -","4","1","SK1328","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","Two phenanthroline hydrochlorides","Acta Crystallographica Section C","2000","56","2","208","210","10.1107/S0108270199013815","","","0.71073","MoKα","","0.0855","0.0431","","","","0.0898","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010681","9.8185","0.0004","10.5191","0.0004","10.8556","0.0005","61.474","0.001","76.764","0.001","70.973","0.001","927.62","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(imidazole)nickel(II) di(p-methoxybenzoate), [Ni(Im)~6~(mB)~2~] (Im = imidazole, mB = p-methoxybenzoate)","","- C34 H38 N12 Ni O6 -","- C34 H38 N12 Ni O6 -","- C34 H38 N12 Ni O6 -","1","0.5","SK1338","Zuoxiang Wang; Yurong Zhang; Ibrahim Abdul Razak; S.Shanmuga Sundara Raj; Hoong-Kun Fun; Fengsheng Li; Hongchang Song","Hexakis(imidazole-<i>N</i>^3^)nickel(II) bis(4-methoxybenzoate)","Acta Crystallographica Section C","2000","56","2","161","162","10.1107/S0108270199013827","","","0.71073","MoKα","","0.06","0.052","","","","0.14","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010682","7.3969","0.0004","26.703","0.0009","6.0594","0.0003","90","","90","","90","","1196.85","0.1","293","","295","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0342","0.0223","","","","0.0658","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010683","7.2242","0.0002","26.5957","0.0009","6.0118","0.0002","90","","90","","90","","1155.06","0.06","103","3","103","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0204","0.0191","","","","0.0533","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010684","10.8397","0.0006","8.7317","0.0006","12.867","0.0009","90","","102.16","0.004","90","","1190.52","0.14","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-hydroxybenzoato)(1,4,8,11-tetraazacyclotetradecane)nickel(II)","","- C24 H34 N4 Ni O6 -","- C24 H34 N4 Ni O6 -","- C48 H68 N8 Ni2 O12 -","2","0.5","SK1344","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Bis(4-hydroxybenzoato-<i>O</i>)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II): a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds","Acta Crystallographica Section C","2000","56","2","174","176","10.1107/S0108270199014249","","","0.71073","MoKα","","0.0577","0.0385","","","","0.0891","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010685","22.813","0.004","29.024","0.006","17.113","0.004","90","","90","","90","","11331","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)]chloride nitrate diethanol solvate","","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C432 H416 Cl24 N104 Ni16 O40 S16 -","8","0.5","SX1095","Leopoldo Suescun; Alvaro W. Mombrú; Raúl A. Mariezcurrena; Helena Pardo; Silvia Russi; Ricardo Baggio","Bis[chlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiourea-<i>S</i>)nickel(II)] chloride nitrate diethanol solvate","Acta Crystallographica Section C","2000","56","2","179","181","10.1107/S0108270199014833","","","0.71069","MoKα","","0.078","0.066","","","","0.209","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010686","5.393","0.001","9.13","0.002","11.963","0.002","92.67","0.03","95.02","0.03","100.45","0.03","575.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","tylophorine-B benzene solvate","2,3,6 trimethoxy phenanthro [9,10:6',7'] indolizedine","","- C29 H31 N O3 -","- C29 H31 N O3 -","- C29 H31 N O3 -","1","1","TA1256","Wang, Qiguang; Xie, Liang; Zhai, Jianjun","Tylophorine B benzene solvate","Acta Crystallographica Section C","2000","56","2","197","198","10.1107/S0108270199013499","","","0.71073","MoKα","","0.077","0.062","","","","0.193","","","","","","1.131","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010687","13.888","0.003","10.947","0.002","22.33","0.005","90","","90.01","0.02","90","","3394.9","1.2","129","","129","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","sodium tetraphenylphosphonium bis(2-mercapto-4- methylphenolato)oxovanadate(IV)]","","- C38 H32 Na O3 P S2 V -","- C38 H32 Na O3 P S2 V -","- C152 H128 Na4 O12 P4 S8 V4 -","4","1","BK1473","Challen, Paul R.; McConville, David B.; Youngs, Wiley J.","One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-<i>O</i>,<i>S</i>)oxovanadate(IV)","Acta Crystallographica Section C","2000","56","3","310","311","10.1107/S0108270199015838","","","0.71073","MoKα","","0.051","0.0328","","0.0719","0.0693","","","","1.004","1.157","1.157","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010688","10.121","0.003","10.121","0.003","26.118","0.01","90","","90","","90","","2675.4","1.5","153","2","153","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate","","- C28 H29 N O P2 Se2 -","- C28 H29 N O P2 Se2 -","- C112 H116 N4 O4 P8 Se8 -","4","0.5","BK1508","Pernin, Christopher G.; Ibers, James A.","Two tetrahydrofuran solvates of HN(SePPh~2~)~2~","Acta Crystallographica Section C","2000","56","3","376","378","10.1107/S010827019901584X","","","0.71073","MoKα","","0.0278","0.0222","","","","0.0586","","","","","","0.972","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010689","8.796","0.002","13.248","0.003","13.864","0.003","97.832","0.004","102.673","0.004","94.545","0.004","1551.5","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate","","- C32 H37 N O2 P2 Se2 -","- C32 H37 N O2 P2 Se2 -","- C64 H74 N2 O4 P4 Se4 -","2","1","BK1508","Pernin, Christopher G.; Ibers, James A.","Two tetrahydrofuran solvates of HN(SePPh~2~)~2~","Acta Crystallographica Section C","2000","56","3","376","378","10.1107/S010827019901584X","","","0.71073","MoKα","","0.0462","0.0354","","","","0.0891","","","","","","1.242","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010690","9.4003","0.0012","9.4003","0.0012","17.35","0.004","90","","90","","120","","1327.7","0.4","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Praseodimium oxydiacetate","","- C12 H28 O23 Pr2 -","- C12 H12 O22.998 Pr2 -","- C24 H24 O45.996 Pr4 -","2","0.166667","BK1511","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate","Acta Crystallographica Section C","2000","56","3","312","315","10.1107/S0108270199015851","","","0.71073","MoKα","","0.032","0.02","","","","0.059","","","","","","1.083","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010691","14.096","0.002","6.844","0.001","32.223","0.003","90","","99.59","0.01","90","","3065.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Neodimium oxydiacetate","","- C16 H34 Nd2 O28 -","- C16 H16 Nd2 O28 -","- C64 H64 Nd8 O112 -","4","1","BK1511","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate","Acta Crystallographica Section C","2000","56","3","312","315","10.1107/S0108270199015851","","","0.71073","MoKα","","0.089","0.047","","","","0.145","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010692","7.903","0.004","11.068","0.004","17.053","0.003","90","","90","","90","","1491.6","1","296","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H10 Cu N2 O9 -","- C14 H10 Cu N2 O9 -","- C56 H40 Cu4 N8 O36 -","4","0.5","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.081","","","","0.129","","","","","","1.03","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2010693","13.765","0.002","10.052","0.002","14.06","0.002","90","","116.554","0.008","90","","1740.2","0.5","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 N2 O11 Zn -","- C14 H14 N2 O11 Zn -","- C56 H56 N8 O44 Zn4 -","4","1","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.058","","","","0.114","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010694","9.512","0.003","20.472","0.01","14.412","0.003","90","","99.92","0.02","90","","2764.5","1.7","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aquatris(trans-2,3-dimethylacrylato)(1,10-phenanthroline)ytterbium(III)","","- C27 H31 N2 O7 Yb -","- C27 H31 N2 O7 Yb -","- C108 H124 N8 O28 Yb4 -","4","1","BM1371","Lu, Weimin; Wu, Bin; Wang, Lina; Lu, Yueqing","Aquatris(1,10-phenanthroline)(<i>trans</i>-2,3-dimethylacrylato)ytterbium(III)","Acta Crystallographica Section C","2000","56","3","316","318","10.1107/S0108270199016169","","","0.71069","MoKα","","","0.052","","","","0.063","","","","","","1.98","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010695","17.0016","0.001","10.654","0.001","15.9038","0.001","90","","90","","90","","2880.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine dimethylformamide","","- C12 H15 F N6 O -","- C12 H15 F N6 O -","- C96 H120 F8 N48 O8 -","8","2","BM1376","Janes, Robert W.","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine‒dimethylformamide (1/1)","Acta Crystallographica Section C","2000","56","3","362","364","10.1107/S0108270199015607","","","1.54178","CuKα","","0.0824","0.0525","","","","0.1665","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010696","8.5144","0.0001","22.79","0.0003","29.9046","0.0003","90","","96.6","0.001","90","","5764.33","0.12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis-(2-tosylaminobenzylidene)-1,2-ethanediamine","","- C30 H30 N4 O4 S2 -","- C30 H30 N4 O4 S2 -","- C240 H240 N32 O32 S16 -","8","1","BM1378","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","<i>N,N</i>'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine","Acta Crystallographica Section C","2000","56","3","347","348","10.1107/S010827019901519X","","","0.71073","MoKα","","0.105","0.054","","","","0.127","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010697","6.2209","0.0006","11.9726","0.0013","15.0705","0.0012","90","","90","","90","","1122.46","0.19","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","BM1380","Gallagher, John F.; Brady, Fiona; Murphy, Carol","Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine","Acta Crystallographica Section C","2000","56","3","365","368","10.1107/S0108270199015619","","","0.7107","MoKα","","0.073","0.04","","","","0.096","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010698","5.9772","0.0007","14.3906","0.0012","13.4926","0.0016","90","","93.131","0.007","90","","1158.8","0.2","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2R/2S)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","BM1380","Gallagher, John F.; Brady, Fiona; Murphy, Carol","Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine","Acta Crystallographica Section C","2000","56","3","365","368","10.1107/S0108270199015619","","","0.7107","MoKα","","0.051","0.034","","","","0.086","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010699","13.408","0.007","13.277","0.004","13.577","0.006","90","","103.07","0.04","90","","2354.3","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[2-(isopropylamino)-5-nitrophenyl]acetamide","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C88 H120 N24 O24 -","8","2","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.094","0.049","","0.149","","0.11","","","1.032","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010700","4.874","0.002","11.002","0.005","12.335","0.007","76.14","","82.27","","86.99","","636.2","0.5","193","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[2-(butylamino)-5-nitrophenyl]acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C24 H34 N6 O6 -","2","1","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.171","0.068","","0.271","","0.141","","","1.014","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010701","4.786","0.001","13.03","0.003","8.727","0.002","90","","94.38","0.03","90","","542.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[2-(dimethylamino)-5-nitrophenyl]acetamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.052","0.034","","0.11","","0.085","","","1.041","","","1.061","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010702","14.1107","0.0002","15.5953","0.0002","16.6469","0.0002","90","","90","","90","","3663.33","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis-[N,N'-{2,4,6-trimethylphenyl}-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","","- C40 H48 B Cu F4 N4 -","- C40 H48 B Cu F4 N4 -","- C160 H192 B4 Cu4 F16 N16 -","4","1","BM1389","Caroline L. Foster; Colin A. Kilner; Mark Thornton-Pett; Malcolm A. Halcrow","Bis[<i>N</i>,<i>N</i>'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","Acta Crystallographica Section C","2000","56","3","319","320","10.1107/S0108270199015863","","","0.71073","MoKα","","0.0317","0.029","","","","0.0732","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010703","17.806","0.002","9.2562","0.0006","9.9337","0.0013","90","","105.955","0.006","90","","1574.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetratintetracosamolybdenumoctatriacontaoxide","","- Mo24 O38 Sn4.4 -","- Mo24 O38 Sn4.402 -","- Mo48 O76 Sn8.804 -","2","0.5","BR1252","Barrier, N.; Tortelier, J.; Gougeon, P.","Sn~4.4~Mo~24~O~38~","Acta Crystallographica Section C","2000","56","3","269","271","10.1107/S0108270199015127","","","0.71073","MoKα","","0.045","0.032","","","","0.077","","","","","","1.252","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010704","3.8274","0.0006","7.1591","0.0011","8.7756","0.0013","87.595","0.002","82.735","0.002","75.639","0.002","231.06","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- Cd Cl4 Cu H8 O4 -","- Cd Cl4 Cu H8 O4 -","- Cd Cl4 Cu H8 O4 -","1","0.5","BR1267","Kortz, Ulrich; Dickman, Michael H.","Cadmium copper tetrachloride tetrahydrate","Acta Crystallographica Section C","2000","56","3","265","266","10.1107/S0108270199013712","","","0.71073","MoKα","","0.029","0.027","","","","0.071","","","","","","1.074","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010705","8.73","0.002","10.189","0.002","7.147","0.001","90","","100.02","0.03","90","","626","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","manganese(II) nicotinate","Poly[trans-diaquamanganese(II)-μ-(3-pyridinecarboxylato-N:O)-μ-(3-pyridine- carboxylato-O:N)]","","- C12 H12 Mn N2 O6 -","- C12 H12 Mn N2 O6 -","- C24 H24 Mn2 N4 O12 -","2","0.5","BR1271","Hao, Xiang; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei","Poly[<i>trans</i>-diaquamanganese(II)-μ-(3-pyridinecarboxylato-<i>N</i>:<i>O</i>)-μ-(3-pyridinecarboxylato-<i>O</i>:<i>N</i>)]","Acta Crystallographica Section C","2000","56","3","296","298","10.1107/S0108270199015358","","","0.71069","MoKα","","0.0509","0.0384","","","","0.1079","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010706","9.423","0.001","9.423","0.001","36.945","0.008","90","","90","","120","","2841","0.7","298","","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ba3 H6 O24 P6 V2 -","- Ba3 H6 O24 P6 V2 -","- Ba18 H36 O144 P36 V12 -","6","0.166667","BR1277","Harrison, William T. A.; Buttery, Jarrod H.","Barium vanadium(III) hydrogen phosphate, Ba~3~V~2~(HPO~4~)~6~","Acta Crystallographica Section C","2000","56","3","274","275","10.1107/S0108270199015735","","","0.71073","MoKα","","","0.047","","","","0.049","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010707","12.2522","0.0009","13.8727","0.001","22.2931","0.0016","79.743","0.001","80.829","0.001","64.077","0.001","3339.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H22 Al B2 Cl F40 Li2 N2 -","- C70 H22 Al B2 Cl F40 Li2 N2 -","- C140 H44 Al2 B4 Cl2 F80 Li4 N4 -","2","1","DA1092","Guzei, Ilia A.; Radzewich, Catherine E.; Jordan, Richard F.","Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyliminopropenyl)chloro(methyl)aluminium bis{[tetrakis(pentafluorophenyl)borato]lithium} benzene solvate","Acta Crystallographica Section C","2000","56","3","279","281","10.1107/S0108270199012135","","","0.71073","MoKα","","0.089","0.043","","","","0.094","","","","","","0.933","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010708","6.3714","0.0009","10.56","0.002","11.61","0.003","90","","98.616","0.014","90","","772.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.074","0.047","","","","0.117","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010709","6.0039","0.0009","10.5565","0.0014","22.151","0.002","90","","90","","90","","1403.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.082","0.048","","","","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010710","6.326","0.0003","31.465","0.002","7.668","0.0004","90.264","0.001","95.891","0.001","90.154","0.001","1518.21","0.14","173","2","","","","","","","","","","5","P 1","P 1","1","","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","","- C17 H17 Cl N2 O -","- C17 H16.25 Cl N2 O -","- C68 H65 Cl4 N8 O4 -","4","4","FR1211","Lewis, Michael; Barnes, Charles L.; Glaser, Rainer","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","Acta Crystallographica Section C","2000","56","3","393","396","10.1107/S0108270199011737","","","0.71073","MoKα","","","0.05","","","","0.13","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010711","18.055","0.006","14.661","0.005","17.598","0.006","90","","116.12","0.05","90","","4183","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]","","- C50 H42 O2 P2 Pd S -","- C50 H42 O2 P2 Pd S -","- C200 H168 O8 P8 Pd4 S4 -","4","1","FR1231","Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","<i>trans</i>-(2-Methylthiobenzoato-<i>O</i>)phenylbis(triphenylphosphine)palladium(II), two conformational isomers","Acta Crystallographica Section C","2000","56","3","329","331","10.1107/S0108270199015449","","","0.71073","MoKα","","0.085","0.044","","","","0.093","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010712","12.5741","0.0006","20.5817","0.0009","16.0672","0.0008","90","","99.186","0.001","90","","4104.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]","","- C50 H42 O2 P2 Pd S -","- C50 H42 O2 P2 Pd S -","- C200 H168 O8 P8 Pd4 S4 -","4","1","FR1231","Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","<i>trans</i>-(2-Methylthiobenzoato-<i>O</i>)phenylbis(triphenylphosphine)palladium(II), two conformational isomers","Acta Crystallographica Section C","2000","56","3","329","331","10.1107/S0108270199015449","","","0.71073","MoKα","","0.061","0.044","","","","0.108","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010713","9.8574","0.0006","10.9503","0.0006","16.5057","0.001","100.142","0.001","95.803","0.001","96.244","0.001","1730.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(2-isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate","","- C38 H39 O3 P Pd S -","- C37.996 H38.992 O2.999 P Pd S -","- C75.992 H77.984 O5.998 P2 Pd2 S2 -","2","1","FR1232","Thompson, Catharine; Kruger, Gert J.; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","[2-(Isopropylthio)benzoato-<i>O</i>,<i>S</i>]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2000","56","3","332","333","10.1107/S0108270199016480","","","0.71073","MoKα","","0.048","0.041","","","","0.097","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010714","10.405","0.002","11.524","0.002","9.177","0.002","113.44","0.01","113.94","0.02","93.94","0.02","887.3","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","FR1233","Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","A novel class of fused heterocycles, benzo[<i>b</i>]furo[2,3-<i>c</i>]pyrroles","Acta Crystallographica Section C","2000","56","3","386","388","10.1107/S0108270199016492","","","0.7107","MoKα","","0.22","0.049","","0.207","","0.225","","","1.03","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010715","9.956","0.001","11.329","0.002","8.939","0.002","109.89","0.01","107.06","0.01","69.47","0.01","870.4","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","FR1233","Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","A novel class of fused heterocycles, benzo[<i>b</i>]furo[2,3-<i>c</i>]pyrroles","Acta Crystallographica Section C","2000","56","3","386","388","10.1107/S0108270199016492","","","0.7107","MoKα","","0.172","0.045","","0.15","","0.197","","","1.04","","","1.04","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010716","6.5848","0.0015","9.991","0.004","19.688","0.006","90","","93.31","0.03","90","","1293.1","0.7","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N-Maleoylglycinate)trimethyltin(IV)","(N-Maleoylglycinate)trimethyltin(IV)","","- C9 H13 N O4 Sn -","- C9 H13 N O4 Sn -","- C36 H52 N4 O16 Sn4 -","4","1","FR1244","Parvez, Masood; Bhatti, Moazzam Hussain; Ali, Saqib; Mazhar, Muhammad; Qureshi, Sajid Iqbal","(<i>N</i>-Maleoylglycinato)trimethyltin(IV)","Acta Crystallographica Section C","2000","56","3","327","328","10.1107/S0108270199016510","","","0.71069","MoKα","","0.0689","0.041","","","","0.147","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010717","9.3933","0.0007","9.3963","0.0007","30.329","0.002","90","","90","","90","","2676.9","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","FR1250","Guzei, Ilia A.; Wang, Xuemei; Kraus, George A.","An angularly fused three-ring precursor to phytuberin","Acta Crystallographica Section C","2000","56","3","389","390","10.1107/S0108270199016522","","","0.71073","MoKα","","0.0575","0.038","","","","0.079","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010718","11.016","0.0012","23.084","0.003","9.9323","0.0012","90","","98.977","0.009","90","","2494.8","0.5","173","","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-ethyl, aza,tribenzo-21-crown-7","","","- C28 H33 N O6 -","- C28 H33 N O6 -","- C112 H132 N4 O24 -","4","1","FR1254","Bryan, Jeffrey C.; Lavis, Jerôme M.; Hay, Benjamin P.; Sachleben, Richard A.","<i>N</i>-Ethylazatribenzo-21-crown-7","Acta Crystallographica Section C","2000","56","3","391","392","10.1107/S0108270199016534","","","0.71073","MoKα","","0.066","0.04","","","","0.11","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010719","19.178","0.004","10.988","0.003","28.728","0.007","90","","101.75","0.02","90","","5927","3","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2,3,4,5,1',2',3',4'-octamethylferrocenium-1-yl)- 3-(ruthenocenyl)allylium bis-tetrafluoroborate","","- C31 H37 B2 F8 Fe Ru -","- C31 H37 B2 F8 Fe Ru -","- C248 H296 B16 F64 Fe8 Ru8 -","8","2","GD1066","Barlow, Stephen; Day, Michael W.; Marder, Seth R.","The one-electron oxidation product of a metallocenyl-terminated cyanine","Acta Crystallographica Section C","2000","56","3","303","304","10.1107/S0108270199015462","","","0.71073","MoKα","","0.0858","0.0515","","","","0.0951","","","","","","1.751","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010720","14.622","0.003","10.656","0.004","9.216","0.004","112.72","0.03","91.29","0.03","89.68","0.03","1324.2","0.9","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 N6 O18 P6 -","- C42 H60 N6 O18 P6 -","- C42 H60 N6 O18 P6 -","1","0.5","GS1058","Marouni, Houda; Rzaigui, Mohamed; Bagieu-Beucher, Muriel","(<i>m</i>-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~","Acta Crystallographica Section C","2000","56","3","356","357","10.1107/S0108270199015280","","","0.7107","MoKα","","0.0347","0.035","","0.05","","0.05","","","1.28","","","1.28","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010721","12.18","0.001","12.18","0.001","12.18","0.001","90","","90","","90","","1806.9","0.3","160","2","160","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","hexaammonium tetra-μ~3~-selenido-tetrakis[tricyanomolybdenum] hexahydrate","","- C12 H36 Mo4 N18 O6 Se4 -","- C12 H36 Mo4 N18 O6 Se4 -","- C24 H72 Mo8 N36 O12 Se8 -","2","0.0416667","GS1060","Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William","A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core","Acta Crystallographica Section C","2000","56","3","272","273","10.1107/S0108270199015644","","","0.71073","MoKα","","0.08","0.068","","","","0.184","","","","","","1.48","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010722","8.869","0.002","9.836","0.002","12.225","0.006","90","","91.4","0.03","90","","1066.1","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,4R,5R,6R)-(6-(methoxycarbonyl)-2-(pivaloyloxymethyl)-4- (pivaloyloxy)bicyclo[3.1.0]hex-2-en-1-yl)-1-carboxylic acid","","- C20 H28 O8 -","- C20 H28 O8 -","- C40 H56 O16 -","2","1","GS1062","Chiaroni, Angèle; Riche, Claude; Cachet, Xavier; Deguin, Brigitte; Koch, Michel; Tillequin, François","(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid","Acta Crystallographica Section C","2000","56","3","358","359","10.1107/S0108270199015309","","","1.5418","CuKα","","0.0428","0.0398","","0.1104","","0.1075","","","1.055","","","1.055","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010723","13.394","0.003","7.598","0.0009","5.066","0.002","90","","127.23","0.02","90","","410.5","0.2","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Iron-Zinc (1:13) alloy","","- Fe Zn13 -","- Fe Zn13 -","- Fe2 Zn26 -","2","0.25","GS1065","Belin, Renaud; Tillard, Monique; Monconduit, Laure","Redetermination of the iron‒zinc phase FeZn~13~","Acta Crystallographica Section C","2000","56","3","267","268","10.1107/S0108270199014997","","","0.71069","MoKα","","0.0751","0.0417","","","","0.1092","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010724","20.376","0.001","13.0504","0.0008","15.887","0.0009","90","","110.491","0.001","90","","3957.3","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bpbpH5(Cl2)(ClO4)2","","","- C36 H44.264 Cl4 N6 O9.132 -","- C36 H44.264 Cl4 N6 O9.132 -","- C144 H177.056 Cl16 N24 O36.528 -","4","1","GS1067","Gomes, Jonnes Taylor; Hazell, Alan; McKenzie, Christine J.","2,6-Bis[bis(2-pyridiniomethyl)aminomethyl]-4-<i>tert</i>-butylphenol dichloride diperchlorate hydrate","Acta Crystallographica Section C","2000","56","3","382","383","10.1107/S0108270199016315","","","0.71073","MoKα","","","0.033","","","","0.037","","","","","","1.078","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2010725","8.5424","0.0008","18.089","0.002","9.3202","0.0009","90","","90.898","0.011","90","","1440","0.3","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","bis(4-methylphenyl)maleonitrile","cis-α,α'-Dicyan-4,4'-dimethyl-stilben","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","GS1070","Faulmann, Christophe; Cassoux, Patrick; Pullen, Anthony E.","A new precursor for the synthesis of porphyrazine: 2,3-bis(4-methylphenyl)maleonitrile","Acta Crystallographica Section C","2000","56","3","384","385","10.1107/S0108270199016479","","","0.71073","MoKα","","0.0735","0.0375","","","","0.0997","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010726","6.374","0.001","10.588","0.002","11.303","0.002","71.35","0.03","78.45","0.03","85.97","0.03","708.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,2R,4S,5-tetraammonio-3-amino-pentane tetrachloride - hydrate","","- C5 H23 Cl4 N5 O -","- C5 H23 Cl4 N5 O -","- C10 H46 Cl8 N10 O2 -","2","1","JZ1372","Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler","Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks","Acta Crystallographica Section C","2000","56","3","284","288","10.1107/S0108270199015024","","","0.71073","MoKα","","0.035","0.0278","","","","0.0751","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010727","7.255","0.004","10.893","0.006","12.173","0.006","107.49","0.04","91.52","0.04","96.67","0.04","909.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,2R,3,4S,5-pentaammonio-pentane trichloride tetrachlorozinkate - hydrate","","- C5 H24 Cl7 N5 O Zn -","- C5 H24 Cl7 N5 O Zn -","- C10 H48 Cl14 N10 O2 Zn2 -","2","1","JZ1372","Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler","Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks","Acta Crystallographica Section C","2000","56","3","284","288","10.1107/S0108270199015024","","","0.71073","MoKα","","0.0273","0.0266","","","","0.0717","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010728","10.8157","0.0007","21.6466","0.0006","14.354","0.002","90","","95.114","0.008","90","","3347.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,2'-bipyridine bis{[(4-methylphenyl) sulfonyl]-2-pyridyl-amide}zinc(II)","","- C34 H30 N6 O4 S2 Zn -","- C34 H30 N6 O4 S2 Zn -","- C136 H120 N24 O16 S8 Zn4 -","4","1","JZ1373","Cabaleiro, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio","(2,2'-Bipyridine-κ^2^<i>N</i>)bis[<i>N</i>-(2-pyridyl-κ<i>N</i>)-<i>p</i>-toluenesulfonamido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2000","56","3","293","295","10.1107/S010827019901536X","","","1.54184","CuKα","","0.0946","0.0443","","","","0.1365","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010729","9.6111","0.0009","11.5199","0.0012","11.5621","0.0012","84.458","0.001","77.829","0.001","74.138","0.001","1202.7","0.2","168","2","168","2","","","","","","","","3","P -1","-P 1","2","4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one","4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one","","- C32 H28 O2 -","- C32 H28 O2 -","- C64 H56 O4 -","2","1","JZ1380","Kumar, V.S. Senthil; Nangia, Ashwini","6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one","Acta Crystallographica Section C","2000","56","3","360","361","10.1107/S010827019901553X","","","0.71073","MoKα","","0.0495","0.0345","","","","0.0929","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010730","19.289","0.001","7.074","0.0006","14.575","0.002","90","","113.448","0.009","90","","1824.5","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 La2 O17 -","- C9 H14 La2 O17.002 -","- C36 H56 La8 O68.008 -","4","0.5","LN1092","Benmerad, Belkacem; Guehria-Laïdoudi, Achoura; Bernardinelli, Gérald; Balegroune, Fadila","Polymeric tetraaquatris(malonato)dilanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","3","321","323","10.1107/S0108270199016182","","","0.71073","MoKα","","","0.022","","","","0.028","","","","","","1.162","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010731","15.922","0.002","16.7908","0.0016","16.453","0.004","90","","90","","90","","4398.6","1.3","288","2","288","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H62 N2 O12 -","- C44 H62 N2 O12 -","- C176 H248 N8 O48 -","4","0.5","NA1433","Kim, Jong Seung; Jensen, William P.; Lee, Chang-Hee; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate","Acta Crystallographica Section C","2000","56","3","379","381","10.1107/S0108270199016327","","","0.71069","MoKα","","0.1239","0.0665","","","","0.205","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010732","11.839","0.002","9.108","0.002","21.319","0.004","90","","90","","90","","2298.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","poly[bis[copper(I)-μ-(4,4'-bipyridyl)-N:N']-μ-dimolybdato-O:O']","","- C20 H16 Cu2 Mo2 N4 O7 -","- C20 H16 Cu2 Mo2 N4 O7 -","- C80 H64 Cu8 Mo8 N16 O28 -","4","0.5","NA1440","You, Wan-Sheng; Wang, En-Bo; Xu, Lin; Hu, Chang-Wen; Luan, Guo-You","Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units","Acta Crystallographica Section C","2000","56","3","289","290","10.1107/S0108270199015036","","","0.71073","MoKα","","0.041","0.028","","0.069","0.066","","","","0.899","0.994","0.994","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010733","13.9828","0.0003","9.6029","0.0002","14.0432","0.0002","90","","113.764","0.0013","90","","1725.78","0.06","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorodiethylbis(pyridine)tin(IV)","","- C14 H20 Cl2 N2 Sn -","- C14 H20 Cl2 N2 Sn -","- C56 H80 Cl8 N8 Sn4 -","4","0.5","NA1442","Casas, José S.; García-Martínez, Emilia; Sánchez-González, Angeles; Sordo, José; Villar, Roberto","Dichlorodiethylbis(pyridine-<i>N</i>)tin(IV)","Acta Crystallographica Section C","2000","56","3","299","300","10.1107/S0108270199015371","","","0.71073","MoKα","","0.0607","0.0316","","","","0.0766","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010734","7.832","0.0016","25.703","0.005","8.984","0.0018","90","","111.38","0.03","90","","1684.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 Cl2 N2 O2 Sn -","- C12 H24 Cl2 N2 O2 Sn -","- C48 H96 Cl8 N8 O8 Sn4 -","4","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71073","MoKα","","0.028","0.02","","","","0.05","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010735","7.475","0.0015","8.03","0.0016","14.977","0.003","90","","91.98","0.03","90","","898.4","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-dibromo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 Br2 N2 O2 Sn -","- C12 H24 Br2 N2 O2 Sn -","- C24 H48 Br4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71073","MoKα","","0.04","0.038","","","","0.104","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010736","7.396","0.001","8.327","0.002","15.406","0.003","90","","90.31","0.03","90","","948.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-diiodo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 I2 N2 O2 Sn -","- C12 H24 I2 N2 O2 Sn -","- C24 H48 I4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71069","MoKα","","0.03","0.024","","","","0.043","","","","","","0.946","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010737","23.802","0.004","8.955","0.001","13.82","0.002","90","","97.55","0.01","90","","2920.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrosyl-O)ruthenium(II)","","- C10 H9 N5 O6 Ru S -","- C10 H9 N5 O6 Ru S -","- C80 H72 N40 O48 Ru8 S8 -","8","1","OS1084","Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe","(2,2'-Dipyridyl sulfide-<i>N</i>,<i>N</i>')hydroxybis(nitrito-<i>O</i>)(nitrogen monoxide-<i>N</i>)ruthenium(III)","Acta Crystallographica Section C","2000","56","3","282","283","10.1107/S0108270199014687","","","0.71073","MoKα","","0.043","0.028","","","","0.064","","","","","","0.879","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010738","8.043","0.001","17.482","0.004","15.237","0.003","90","","102.3","0.01","90","","2093.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate","","- C12 H36 Cl2 Cu N4 O4 -","- C12 H36 Cl2 Cu N4 O4 -","- C48 H144 Cl8 Cu4 N16 O16 -","4","1","OS1090","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","<i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) dichloride dihydrate","Acta Crystallographica Section C","2000","56","3","301","302","10.1107/S0108270199015474","","","0.71073","MoKα","","0.041","0.028","","","","0.076","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010739","11.848","0.003","11.015","0.004","12.313","0.004","90","","109.01","0.03","90","","1519.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline","","- C19 H13 N3 S -","- C19 H13 N3 S -","- C76 H52 N12 S4 -","4","1","OS1091","Pluta, Krystian; Suwińska, Kinga","Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline","Acta Crystallographica Section C","2000","56","3","374","375","10.1107/S0108270199015759","","","0.71073","MoKα","","0.076","0.042","","0.138","","0.109","","","1.032","","","1.14","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010740","9.707","0.0005","11.575","0.0006","11.592","0.0007","71.333","0.003","85.678","0.004","73.601","0.003","1183.58","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,5-bis[(2-hydroxyethyl)thio]-2-{4,5-bis[(2-hydroxyethyl)thio]-1,3-dithiol-2- ylidene}-1,3-dithiole","","- C14 H20 B F4 O4 S8 -","- C14 H20 B F4 O4 S8 -","- C28 H40 B2 F8 O8 S16 -","2","1","QA0207","Yao, Youxin; Zeng, Wenju; Zhang, Bin; Liu, Yunqi; Zhu, Daoben","2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate","Acta Crystallographica Section C","2000","56","3","e90","e91","10.1107/S0108270100001219","","","0.71073","MoKα","","0.06","0.055","","","","0.149","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010741","7.699","0.002","9.341","0.002","12.934","0.003","77.77","0.03","78.52","0.03","69.09","0.03","841.4","0.4","153","","153","","","","","","","","","4","P -1","-P 1","2","tetramethylethyliden- bis(cyclopentadienyl)zirconiumbis(tetrahydroborate)'","","","- C16 H28 B2 Zr -","- C16 H28 B2 Zr -","- C32 H56 B4 Zr2 -","2","1","QA0209","Schaper, Frank; Brintzinger, Hans-Herbert","[{Me~4~C~2~(C~5~H~4~)~2~}Zr(BH~4~)~2~], a bis(tetrahydroborate) complex of a bridged zirconocene","Acta Crystallographica Section C","2000","56","3","e78","e78","10.1107/S0108270100002250","","","0.71073","MoKα","","0.027","0.023","","","","0.058","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010742","15.975","0.002","15.773","0.002","17.142","0.002","90","","100.51","0.01","90","","4246.9","0.9","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","2,2'-(9,9-dihexyl)bifluorene","","- C50 H66 -","- C50 H66 -","- C200 H264 -","4","1","QA0213","Suchod, Bernadette; Stéphan, Olivier","2,2'-Bi(9,9-dihexylfluorene)","Acta Crystallographica Section C","2000","56","3","e92","e93","10.1107/S0108270100001499","","","0.71073","MoKα","","0.158","0.1","","0.043","","0.039","","","1.267","","","1.511","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010743","11.85","0.003","10.913","0.004","17.506","0.002","90","","107.76","0.01","90","","2156","1","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sparfloxacin","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C76 H112 F8 N16 O24 -","4","1","QA0214","Sivalakshmidevi, A.; Vyas, K.; Om Reddy, G.","Sparfloxacin, an antibacterial drug","Acta Crystallographica Section C","2000","56","3","e115","e116","10.1107/S0108270100002523","","","1.5418","CuKα","","0.067","0.059","","0.111","","0.108","","","1.909","","","1.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010744","6.7837","0.0013","9.0268","0.0011","13.237","0.002","90","","101.02","0.02","90","","795.6","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Pyridinium-dihydrohenmonothiophosphate","","- C5 H8 N O3 P S -","- C5 H8 N O3 P S -","- C20 H32 N4 O12 P4 S4 -","4","1","QA0216","Ziemer, Burkhard; Rabis, Annegrit","Pyridinium dihydrogenmonothiophosphate","Acta Crystallographica Section C","2000","56","3","e94","e94","10.1107/S0108270100001517","","","0.71073","MoKα","","0.037","0.029","","","","0.077","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010745","13.26","0.02","6.677","0.007","10.766","0.007","90","","90","","90","","953.2","1.9","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","RTA","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","QA0218","Nordborg, Jenni; Svensson, Göran; Albertsson, Jörgen","A single-crystal neutron diffraction study of RbTiOAsO~4~","Acta Crystallographica Section C","2000","56","3","e73","e74","10.1107/S0108270100001505","","neutron","1.207","neutron","","0.036","0.034","","0.033","","0.033","","","1.363","","","1.361","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010746","10.029","0.002","10.029","0.002","10.029","0.002","90","","90","","90","","1008.7","0.3","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl2 H18 N6 Ni -","- Cl2 H18 N6 Ni -","- Cl8 H72 N24 Ni4 -","4","0.0208333","QA0219","Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of [Ni(NH~3~)~6~]Cl~2~ at 173K","Acta Crystallographica Section C","2000","56","3","e77","e77","10.1107/S0108270100002262","","","0.71073","MoKα","","0.013","0.013","","","","0.033","","","","","","1.319","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010747","8.5893","0.0006","10.3543","0.0006","10.9893","0.0006","69.194","0.005","87.122","0.005","66.172","0.005","830.75","0.1","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H20 K4 Na2 O38 V10 -","- H20 K4 Na2 O38 V10 -","- H20 K4 Na2 O38 V10 -","1","0.5","QA0220","Matias, Pedro M.; Pessoa, João C.; Duarte, Maria Teresa; Madeira, Catarina","Tetrapotassium disodium decavanadate(V) decahydrate","Acta Crystallographica Section C","2000","56","3","e75","e76","10.1107/S0108270100001530","","","0.71069","MoKα","","0.033","0.028","","","","0.074","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010748","11.2341","0.0017","6.8536","0.0011","13.0566","0.0012","90","","97.307","0.009","90","","997.1","0.2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide","","- C7 H10 Cl2 O3 S -","- C7 H10 Cl2 O3 S -","- C28 H40 Cl8 O12 S4 -","4","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.042","0.029","","","","0.075","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010749","8.0689","0.0008","8.1209","0.001","9.9329","0.0014","92.01","0.011","110.855","0.011","119.21","0.011","513.19","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide","","- C7 H9 Cl O4 S2 -","- C7 H9 Cl O4 S2 -","- C14 H18 Cl2 O8 S4 -","2","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.031","0.029","","","","0.076","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010750","5.245","0.002","16.915","0.002","10.461","0.002","90","","101.21","0.02","90","","910.4","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-diaqua-bis(N-acetylanthranilato-O,O')copper(II)","","- C18 H20 Cu N2 O8 -","- C18 H20 Cu N2 O8 -","- C36 H40 Cu2 N4 O16 -","2","0.5","QA0223","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>trans</i>-Diaquabis(<i>N</i>-acetylanthranilato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","3","e79","e79","10.1107/S0108270100002274","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.404","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010751","9.633","0.002","10.665","0.001","9.03","0.002","112.28","0.01","110.19","0.02","83.72","0.01","805.5","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 Cu2 O10 -","- C24 H44 Cu2 O10 -","- C24 H44 Cu2 O10 -","1","0.5","QA0224","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-2,2-dimethylpropionato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>:<i>O</i>'] and <i>catena</i>-poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2000","56","3","e80","e81","10.1107/S0108270100002304","","","0.71073","MoKα","","","0.051","","","","0.07","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010752","10.08","0.001","11.308","0.002","8.952","0.001","113.3","0.01","108.92","0.01","84.64","0.01","885.8","0.2","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 Cu2 O10 -","- C28 H52 Cu2 O10 -","- C28 H52 Cu2 O10 -","1","0.5","QA0224","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-2,2-dimethylpropionato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>:<i>O</i>'] and <i>catena</i>-poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2000","56","3","e80","e81","10.1107/S0108270100002304","","","0.71073","MoKα","","","0.041","","","","0.075","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010753","6.4262","0.0003","11.0841","0.0004","12.9142","0.0005","90","","90","","90","","919.86","0.06","110","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","QB0154","Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.","The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride","Acta Crystallographica Section C","2000","56","3","e103","e104","10.1107/S0108270100001840","","","0.71073","MoKα","","0.029","0.029","","0.073","","0.072","","","1.109","","","1.109","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010754","6.4152","0.0004","11.4413","0.0008","12.5623","0.0008","90","","91.968","","90","","921.51","0.1","110","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(R/S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","QB0154","Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.","The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride","Acta Crystallographica Section C","2000","56","3","e103","e104","10.1107/S0108270100001840","","","0.71073","MoKα","","0.032","0.032","","0.082","","0.081","","","1.063","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010755","4.845","0.002","18.369","0.006","13.7745","0.0012","90","","91.77","0.02","90","","1225.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-phenylazophenyl-C,N')selenium iodide","","- C12 H9 I N2 Se -","- C12 H9 I N2 Se -","- C48 H36 I4 N8 Se4 -","4","1","QB0162","Majeed, Zulfiqar; McWhinnie, William R.; Lowe, Philip R.","A T-shaped selenenyl halide","Acta Crystallographica Section C","2000","56","3","e105","e106","10.1107/S0108270100001852","","","0.71073","MoKα","","0.064","0.043","","","","0.122","","","","","","1.168","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010756","5.6528","0.0001","11.1532","0.0002","16.9897","0.0001","90","","90","","90","","1071.15","0.03","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-phenylalanine","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","QB0164","Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy","<i>N</i>-Acetyl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2000","56","3","e100","e100","10.1107/S0108270100001712","","","0.71073","MoKα","","0.03","0.028","","","","0.077","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010757","13.249","0.003","10.801","0.002","21.193","0.005","90","","104.5","0.02","90","","2936.2","1.1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(diphenylphosphinyl)benzene] disulfide","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","QB0174","Perez-Lourido, P.; Garcia-Vazquez, J. A.; Romero, J.; Fernandez, P.; Sousa-Pedrares, A.; Sousa, A.","Bis[2-(diphenylphosphinoyl)benzene] disulfide","Acta Crystallographica Section C","2000","56","3","e101","e102","10.1107/S0108270100001797","","","0.71073","MoKα","","0.073","0.042","","","","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010758","7.1952","0.0013","17.356","0.003","8.3298","0.0016","90","","111.148","0.014","90","","970.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","QB0175","Nesterov, Vladimir N.; Kislyi, Victor P.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Semenov, Victor V.","<i>trans</i>-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene","Acta Crystallographica Section C","2000","56","3","e107","e108","10.1107/S0108270100001864","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010759","7.9608","0.0001","10.6844","0.0001","12.8215","0.0003","93.577","0.001","97.737","0.001","99.046","0.001","1063.28","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Pyrazolo[1,5-a]pyridine","2-[(4-Bromophenyl)-4-cyano-5-ferrocenylpyrazolo[1,5-a]pyridin-7yl] acetonitrile","","- C26 H17 Br Fe N4 -","- C26 H17 Br Fe N4 -","- C52 H34 Br2 Fe2 N8 -","2","1","QB0178","Sarkhel, Sanjay; Srivastava, Prativa; Ram, Vishnu J.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","A highly functionalized ferrocenylpyrazolo[2,3-<i>a</i>]pyridine","Acta Crystallographica Section C","2000","56","3","e88","e89","10.1107/S0108270100002535","","","0.71073","MoKα","","0.068","0.048","","0.14","0.106","","","","1.028","0.933","0.933","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010760","16.685","0.002","16.685","0.002","5.468","0.001","90","","90","","120","","1318.3","0.3","293","","","","","","","","","","","4","R 3 :H","R 3","146","","tribenzylphosphine oxide","","- C21 H21 O P -","- C21 H21 O P -","- C63 H63 O3 P3 -","3","0.333333","QB0179","Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel","Tribenzylphosphine oxide","Acta Crystallographica Section C","2000","56","3","e98","e99","10.1107/S0108270100001566","","","0.71073","MoKα","","0.034","0.032","","0.088","","0.088","","","1.068","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010761","13.9691","0.001","13.9691","0.001","32.39","0.003","90","","90","","120","","5473.7","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(antipyrine-O)terbium(III) triperchlorate","","- C66 H72 Cl3 N12 O18 Tb -","- C66 H72 Cl3 N12 O18 Tb -","- C198 H216 Cl9 N36 O54 Tb3 -","3","0.166667","QB0180","Su, Cheng-Yong; Yang, Xiao-Ping; Xu, An-Wu; Zhang, Ze-Fu; Liu, Hong-Ke; Kang, Bei-Sheng","Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate","Acta Crystallographica Section C","2000","56","3","e82","e83","10.1107/S0108270100002298","","","0.71073","MoKα","","0.046","0.045","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010762","19.608","0.004","4.786","0.002","20.461","0.006","90","","97.91","0.02","90","","1901.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","caulerpin","Dimethyl-6,13-dihydrodibenzo[b,i]phenazine-5,12-dicarboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","0.5","QB0181","Parvez, Masood; Ara, Jehan; Sultana, Viqar; Qasim, Rashida; Ahmad, Viqar Uddin","Caulerpin","Acta Crystallographica Section C","2000","56","3","e96","e97","10.1107/S0108270100001529","","","0.71069","MoKα","","0.118","0.049","","","","0.232","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010763","7.3275","0.0001","7.6321","0.0002","12.6379","0.0004","95.809","0.002","96.991","0.001","92.244","0.002","696.96","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(N,N-dimethylthiocarbamoylthio)acetic acid","","- C8 H14 N2 O2 S4 -","- C8 H14 N2 O2 S4 -","- C16 H28 N4 O4 S8 -","2","1","QB0182","Muniandy, Suresh; Low, Kum Sang; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Ng, Seik Weng","Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetic acid","Acta Crystallographica Section C","2000","56","3","e113","e114","10.1107/S0108270100002511","","","0.71073","MoKα","","0.073","0.053","","","","0.139","","","","","","0.946","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010764","7.251","0.001","28.761","0.003","9.635","0.001","90","","90","","90","","2009.3","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis[(bis-2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","","- C12 H26 N2 O4 S4 Sn -","- C12 H26 N2 O4 S4 Sn -","- C48 H104 N8 O16 S16 Sn4 -","4","0.5","QB0183","Yang Farina, A. Aziz; Othman, Abdul Hamid; Baba, Ibrahim; Sivakumar, K.; Fun, Hoong-Kun; Ng, Seik Weng","Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","Acta Crystallographica Section C","2000","56","3","e84","e85","10.1107/S0108270100002407","","","0.71073","MoKα","","0.035","0.027","","","","0.073","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010765","10.155","0.003","15.638","0.005","20.102","0.006","90","","104.56","0.01","90","","3089.8","1.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(dicyclohexylammonium) adipate monohydrate","","- C30 H58 N2 O5 -","- C30 H58 N2 O5 -","- C120 H232 N8 O20 -","4","0.5","QB0184","Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng","Bis(dicyclohexylammonium) adipate monohydrate","Acta Crystallographica Section C","2000","56","3","e111","e112","10.1107/S0108270100002419","","","0.71073","MoKα","","0.125","0.059","","","","0.159","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010766","11.2608","0.0006","13.0527","0.0005","14.6607","0.0006","90","","90","","90","","2154.89","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triphenyltin 3-ureidopropionate","Catena-poly[triphenyltin-μu-(3-ureidopropionato-O:O')]","","- C22 H22 N2 O3 Sn -","- C22 H22 N2 O3 Sn -","- C88 H88 N8 O12 Sn4 -","4","1","QB0186","Ng, Seik Weng","Orthorhombic modification of triphenyltin 3-ureidopropionate","Acta Crystallographica Section C","2000","56","3","e86","e87","10.1107/S0108270100002432","","","0.71073","MoKα","","0.044","0.034","","","","0.077","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010767","17.7426","0.0009","15.5402","0.0006","19.8147","0.001","90","","104.279","0.002","90","","5294.6","0.4","127","2","127","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 O11 -","- C55 H76 O11 -","- C220 H304 O44 -","4","1","SK1335","Thuéry, Pierre; Nierlich, Martine; Asfari, Zouhair; Vicens, Jacques","5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene‒methanol (1/1)","Acta Crystallographica Section C","2000","56","3","343","344","10.1107/S010827019901522X","","","0.71073","MoKα","","0.101","0.055","","","","0.138","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010768","8.752","0.002","10.525","0.005","20.619","0.005","90","","90","","90","","1899.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","SK1336","Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","3","345","346","10.1107/S0108270199015231","","","1.54178","CuKα","","0.043","0.038","","","","0.104","","","1.1","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010769","9.2597","0.0002","14.5473","0.0003","13.9263","0.0002","90","","90.726","0.001","90","","1875.77","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(diethylenetriamine)Zinc(II)] ferrocyanide tetrahydrate [Zn(dien)~2~]~2~Fe(CN)~6~. 4H~2~O, (dien = diethylenetriamine, NH~2~CH=CHNHCH=CHNH~2~)","","- C22 H60 Fe N18 O4 Zn2 -","- C22 H60 Fe N18 O4 Zn2 -","- C44 H120 Fe2 N36 O8 Zn4 -","2","0.5","SK1341","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Tong, Ye-Xiang; Lu, Zhong-Lin; Kang, Bei-Sheng","Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate","Acta Crystallographica Section C","2000","56","3","291","292","10.1107/S0108270199015176","","","0.71073","MoKα","","0.039","0.028","","","","0.069","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010770","6.758","0.001","8.844","0.001","7.075","0.002","90","","93.5","0.01","90","","422.07","0.14","183","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","metaboric acid, β-phase","Clinometaborite","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","3","SK1343","Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen","The monoclinic and cubic phases of metaboric acid (precise redeterminations)","Acta Crystallographica Section C","2000","56","3","276","278","10.1107/S0108270199016042","","","0.71073","MoKα","","","0.0309","","","","0.0872","","","","","","1.076","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2010771","8.8811","0.0003","8.8811","0.0003","8.8811","0.0003","90","","90","","90","","700.49","0.04","183","","","","","","","","","","Synthetic","3","P -4 3 n","P -4n 2 3","218","","metaboric acid, γ-phase","Metaborite","- B H O2 -","- B H O2 -","- B24 H24 O48 -","24","1","SK1343","Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen","The monoclinic and cubic phases of metaboric acid (precise redeterminations)","Acta Crystallographica Section C","2000","56","3","276","278","10.1107/S0108270199016042","","","0.71073","MoKα","","","0.019","","","","0.0445","","","","","","1.015","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2010772","17.7759","0.0003","9.0661","0.0002","23.5939","0.0003","90","","90","","90","","3802.35","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-2'-iodocinnamanilide","","- C22 H18 I N O -","- C22 H18 I N O -","- C176 H144 I8 N8 O8 -","8","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.127","0.059","","","","0.095","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010773","10.815","0.0002","11.3607","0.0002","20.2477","0.0005","90","","91.271","0.001","90","","2487.14","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","","- C29 H24 I N O -","- C29 H24 I N O -","- C116 H96 I4 N4 O4 -","4","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.158","0.057","","","","0.102","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010774","11.724","0.005","10.911","0.004","14.218","0.006","90","","113.11","0.04","90","","1672.8","1.3","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4- b]quinoline-1,8-dione","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","SK1350","Şimşek, Rahime; Linden, Anthony; Şafak, Cihat","(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione","Acta Crystallographica Section C","2000","56","3","351","353","10.1107/S0108270199015255","","","0.71069","MoKα","","0.16","0.059","","","","0.165","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010775","3.974","0.003","9.164","0.008","19.172","0.006","90","","90","","90","","698.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-bromo-5-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","SK1352","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C.","2-Bromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","3","354","355","10.1107/S0108270199015267","","","0.71073","MoKα","","0.0575","0.0227","","","","0.0509","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010776","5.553","0.001","12.34","0.001","20.875","0.002","90","","90","","90","","1430.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Costuslactone-B","3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[1,2-b]furan-2,9-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","TA1253","Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun","Costuslactone B","Acta Crystallographica Section C","2000","56","3","369","370","10.1107/S0108270199015723","","","0.71073","MoKα","","0.033","0.031","","","","0.137","","","","","","1.239","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010777","11.382","0.005","12.162","0.004","15.855","0.007","90","","103.31","0.03","90","","2135.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κN^2^)pyridine-κN] bis(thiocyanato-N)copper(II)","","- C19 H21 Cu N7 S2 -","- C19 H21 Cu N7 S2 -","- C76 H84 Cu4 N28 S8 -","4","1","TA1259","Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T.","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-<i>N</i>)copper(II)","Acta Crystallographica Section C","2000","56","3","308","309","10.1107/S0108270199015711","","","1.54184","CuKα","","0.054","0.047","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010778","6.844","0.002","6.908","0.002","9.061","0.003","101.398","0.004","90.799","0.004","112.515","0.003","386","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-carboxypyridinium chloride","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C12 H14 Cl2 N4 O4 -","2","1","TA1270","John Giantsidis; Mark M. Turnbull","6-Aminonicotinic acid hydrochloride","Acta Crystallographica Section C","2000","56","3","334","335","10.1107/S0108270199014821","","","0.71073","MoKα","","0.037","0.034","","","","0.091","","","","","","1.135","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010779","13.097","0.002","16.169","0.002","10.752","0.002","90","","95.818","0.012","90","","2265.2","0.6","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BC-166","11-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-8-chloro-5H- dibenzo[b,e][1,4]diazepine","","- C25 H23 Cl N4 O2 -","- C25 H23 Cl N4 O2 -","- C100 H92 Cl4 N16 O8 -","4","1","TA1272","Capuano, Ben; Crosby, Ian T.; Gable, Robert W.; Lloyd, Edward J.","<i>N</i>-Piperonyl analogue of the atypical antipsychotic clozapine","Acta Crystallographica Section C","2000","56","3","339","340","10.1107/S0108270199015139","","","0.71073","MoKα","","0.057","0.039","","0.11","","0.097","","","1.025","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010780","8.056","0.001","6.7586","0.0006","11.694","0.003","90","","102.93","0.01","90","","620.56","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","TA1278","Lovejoy, David B.; Richardson, Des. R.; Bernhardt, Paul V.","2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone","Acta Crystallographica Section C","2000","56","3","341","342","10.1107/S0108270199015140","","","0.71073","MoKα","","0.0472","0.0413","","","","0.1206","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010781","14.789","0.013","13.14","0.008","19.064","0.016","90","","97.94","0.03","90","","3669","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Bi Br5 N5 -","- C30 H37 Bi Br5 N5 -","- C120 H148 Bi4 Br20 N20 -","4","0.5","AV1032","James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)","Acta Crystallographica Section C","2000","56","4","427","429","10.1107/S0108270100000263","","","0.71073","MoKα","","0.0451","0.0286","","","","0.0554","","","","","","0.919","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010782","18.699","0.002","14.889","0.003","7.408","0.003","90","","90","","90","","2062.5","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentachloropyridylbismuthate(III) pyridinium","","- C15 H17 Bi Cl5 N3 -","- C15 H17 Bi Cl5 N3 -","- C60 H68 Bi4 Cl20 N12 -","4","0.5","AV1032","James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)","Acta Crystallographica Section C","2000","56","4","427","429","10.1107/S0108270100000263","","","0.71073","MoKα","","0.049","0.0298","","0.0578","","0.052","","","1.052","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010783","13.549","0.002","7.525","0.002","5.891","0.004","90","","90.04","0.03","90","","600.6","0.4","173","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(1,3,5,2-trithiaborapentalene)","","- C8 H4 B2 S6 -","- C8 H4 B2 S6 -","- C16 H8 B4 S12 -","2","0.5","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.063","0.055","","0.139","","0.135","","","0.984","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010784","9.578","0.002","9.686","0.002","12.172","0.003","95.56","0.02","91.99","0.02","113.349","0.012","1028.6","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-S-thione","","- C10 H14 B2 N2 S10 -","- C10 H14 B2 N2 S10 -","- C20 H28 B4 N4 S20 -","2","1","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.047","0.031","","0.076","","0.072","","","0.965","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010785","29.629","0.003","29.629","0.003","9.438","0.002","90","","90","","120","","7175.4","1.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","1,2-bis(dimethylamino)-1,1:2,2-bis(dimethylenedithioxy)diborane(4) dichloromethane solvate","","- C8.33 H22.66 B2 Cl0.66 N2 S4 -","- C8.334 H22.668 B2 Cl0.666667 N2 S4 -","- C150.012 H408.024 B36 Cl12 N36 S72 -","18","1","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.064","0.046","","","","0.129","","","","","","1.3","","","","has coordinates,has disorder,has Fobs","202207","2020-10-21","18:00:00",""
"2010786","7.0115","0.0001","18.7691","0.0006","21.1681","0.0007","90","","90","","90","","2785.71","0.13","200","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","BK1491","Harper, James K.; Arif, Atta M.; Grant, David M.","<i>cis</i>-Verbenol","Acta Crystallographica Section C","2000","56","4","451","452","10.1107/S010827019901570X","","","0.71073","MoKα","","","0.047","","","","0.127","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010787","14.9958","0.001","17.5356","0.0012","9.0327","0.0006","90","","90","","90","","2375.2","0.3","173","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Bis(trimethylsilyl)mercury","Bis(trimethylsilyl)mercury","","- C12 H36 Hg2 Si4 -","- C12 H36 Hg2 Si4 -","- C48 H144 Hg8 Si16 -","4","0.25","BK1496","Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S.","Reinvestigation of bis(trimethylsilyl)mercury","Acta Crystallographica Section C","2000","56","4","412","413","10.1107/S0108270199016339","","","0.71073","MoKα","","","0.028","","","","0.074","","","","","","0.985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2010788","42.064","0.006","42.064","0.006","7.052","0.003","90","","90","","120","","10806","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^-N]cobalt(III) perchlorate","","- C17 H34 Cl Co N4 O7 -","- C17 H34 Cl Co N4 O7 -","- C306 H612 Cl18 Co18 N72 O126 -","18","1","BK1502","Xiang, Ping; Chen, Ying; Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying","Aqua(<i>n</i>-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate","Acta Crystallographica Section C","2000","56","4","421","422","10.1107/S010827019901673X","","","0.71073","MoKα","","0.093","0.064","","","","0.183","","","","","","1.025","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010789","16.427","0.002","15.195","0.002","7.194","0.001","90","","90","","90","","1795.7","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","DPPE","[2-(4-benzylphenoxy)ethyl]diethylammonium chloride","","- C19 H26 Cl N O -","- C19 H26 Cl N O -","- C76 H104 Cl4 N4 O4 -","4","1","BK1510","Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur","The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride","Acta Crystallographica Section C","2000","56","4","455","456","10.1107/S0108270199016741","","","0.92","synchrotronradiation","","0.041","0.036","","","","0.105","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010790","8.7122","0.0005","12.8097","0.0011","13.7023","0.0012","113.2","0.007","91.68","0.006","101.35","0.006","1368.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(8-dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate (1:1:1)","","- C23 H24 Cl6 N2 O5 -","- C23 H24 Cl6 N2 O5 -","- C46 H48 Cl12 N4 O10 -","2","1","BM1360","Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz","(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate","Acta Crystallographica Section C","2000","56","4","479","480","10.1107/S0108270100000664","","","0.71073","MoKα","","0.07","0.039","","","","0.107","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010791","9.592","0.012","11.989","0.014","12.574","0.014","115.219","0.01","102.68","0.01","94.734","0.01","1251","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N9 O12 Sm -","- C18 H14 N9 O12 Sm -","- C36 H28 N18 O24 Sm2 -","2","1","BM1386","Michael G.B.Drew; Michael J.Hudson; Peter B. Iveson; Charles Madic","[Sm(NO~3~)~3~(TPTZ)(H~2~O)]·2H~2~O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]","Acta Crystallographica Section C","2000","56","4","434","435","10.1107/S0108270100000615","","","0.71073","MoKα","","0.0348","0.0331","","","","0.0944","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010792","6.748","0.003","10.466","0.004","12.555","0.004","90","","92.36","0.03","90","","885.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate","","- C14 H19 I N2 O8 -","- C14 H19 I N2 O8 -","- C28 H38 I2 N4 O16 -","2","1","BM1390","Mazumdar, G.; De, M.; Mukhopadhyay, A.; Mazumdar, S. K.; Mazumder, N.; Das, A. K.; Knaus, Edward E.","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue","Acta Crystallographica Section C","2000","56","4","494","495","10.1107/S0108270100000998","","","0.71069","MoKα","","0.044","0.036","","0.137","0.071","","","","0.928","0.925","0.925","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010793","6.4","0.002","14.181","0.003","7.416","0.001","90","","95.43","0.02","90","","670","0.3","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Iron(II) Diphosphate Dihydrate","","- Fe2 H4 O9 P2 -","- Fe2 H4 O9 P2 -","- Fe8 H16 O36 P8 -","4","1","BR1253","Giesber, Henry G. III; Korzenski, Michael B.; Pennington, William T.; Kolis, Joseph W.","Fe~2~P~2~O~7~(H~2~O)~2~","Acta Crystallographica Section C","2000","56","4","399","400","10.1107/S0108270199014407","","","0.71073","MoKα","","0.0204","0.019","","0.0309","","0.0303","","","","","","1.18","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010794","11.3606","0.0008","6.0125","0.0004","5.1482","0.0004","90","","113.159","0.004","90","","323.31","0.04","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","mercury(II) tungstate","","- Hg O4 W -","- Hg O4 W -","- Hg4 O16 W4 -","4","0.5","BR1261","Åsberg Dahlborg, Magnus B.; Svensson, Göran; Ouvarova, Tatiana","Mercury(II) tungstate from neutron powder data","Acta Crystallographica Section C","2000","56","4","397","398","10.1107/S0108270199013864","","neutron","1.47","neutron","","","","","","","","","","1.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010795","10.0132","0.0004","17.3635","0.0006","82.496","0.003","90.006","0.008","90.026","0.004","89.983","0.005","14343.1","0.9","295","","295","","","","","","","","","3","F 1","F 1","1","","aluminum phosphate","","- Al O4 P -","- Al O4 P -","- Al160 O640 P160 -","160","","BR1269","Graetsch, Heribert","Two forms of aluminium phosphate tridymite from X-ray powder data","Acta Crystallographica Section C","2000","56","4","401","403","10.1107/S0108270199015164","","","1.54056","CuKα~1~","","","0.0332","","","","","","","2.16","2.16","2.16","","","","","has coordinates","208305","2020-10-21","18:00:00",""
"2010796","37.3863","0.0016","5.0455","0.0002","26.2217","0.001","90","","117.816","0.0013","90","","4374.7","0.3","295","","295","","","","","","","","","3","P 1 c 1","P -2yc","7","","aluminum phosphate","","- Al O4 P -","- Al O4 P -","- Al48 O192 P48 -","48","24","BR1269","Graetsch, Heribert","Two forms of aluminium phosphate tridymite from X-ray powder data","Acta Crystallographica Section C","2000","56","4","401","403","10.1107/S0108270199015164","","","1.54056","CuKα~1~","","","0.0727","","","","","","","1.79","1.79","1.79","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010797","8.039","0.0005","7.694","0.0016","14.13","0.002","90","","90","","90","","874","0.2","208","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","β-Pyridinium dichloroiodide","","- C5 H6 Cl2 I N -","- C4.99998 H6 Cl2 I N0.99996 -","- C19.9999 H24 Cl8 I4 N3.99984 -","4","0.5","BR1276","Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci","β-Pyridinium dichloroiodide","Acta Crystallographica Section C","2000","56","4","471","472","10.1107/S0108270100000317","","","0.71073","MoKα","","0.1069","0.0569","","","","0.141","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211393","2020-10-21","18:00:00",""
"2010798","6.8832","0.0006","9.0568","0.0008","12.4376","0.0011","90","","97.219","0.002","90","","769.21","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O6 -","- C7 H7 N O6 -","- C28 H28 N4 O24 -","4","1","CF1322","Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chelidamic acid monohydrate: the proton complex of a multidentate ligand","Acta Crystallographica Section C","2000","56","4","448","450","10.1107/S0108270199015620","","","0.71073","MoKα","","0.046","0.038","","0.05","","0.049","","","1.616","","","1.736","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010799","12.748","0.003","16.508","0.009","19.19","0.016","90","","97.5","0.05","90","","4004","4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Gd N3 Na5 O31 -","- C21 H6 Gd N3 Na5 O31 -","- C84 H24 Gd4 N12 Na20 O124 -","4","1","CF1323","Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3{-})][chelidamato(2{-})]gadolinate(III) hexadecahydrate","Acta Crystallographica Section C","2000","56","4","407","411","10.1107/S0108270199015632","","","0.71073","MoKα","","0.083","0.072","","0.068","","0.068","","","1.542","","","1.606","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010800","6.531","0.002","44.759","0.004","16.224","0.002","90","","90","","90","","4742.6","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H2 Fe4 O12 S2 Se2 -","- C14 H2 Fe4 O12 S2 Se2 -","- C112 H16 Fe32 O96 S16 Se16 -","8","0.5","DA1109","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","Mixed-chalcogenide double-butterfly complex [{(CO)~6~Fe~2~SSe}~2~{μ-C(H)—C(H)}]","Acta Crystallographica Section C","2000","56","4","438","439","10.1107/S0108270100001037","","","0.71073","MoKα","","0.0485","0.0372","","","","0.1077","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010801","8.101","0.002","13.564","0.003","21.573","0.004","90","","91.13","0.03","90","","2370","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[diaquamagnesium pyrithione][dithiobis(pyridine-N-oxide)]","[diaquabis(1-hydroxy-2(1H)-pyridinethiolato)magnesium(II)] [2,2'-dithiobis(pyridine-N-oxide)]","","- C20 H20 Mg N4 O6 S4 -","- C20 H20 Mg N4 O6 S4 -","- C80 H80 Mg4 N16 O24 S16 -","4","0.5","DE1120","Bond, Andrew; Jones, William","A host‒guest complex of diaquabis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]magnesium(II) and 2,2'-dithiobis(pyridine <i>N</i>-oxide)","Acta Crystallographica Section C","2000","56","4","436","437","10.1107/S0108270199013608","","","0.71073","MoKα","","0.05","0.036","","","","0.096","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010802","7.412","0.0015","11.505","0.002","13.255","0.003","103.13","0.03","103.97","0.03","106.8","0.03","995","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Acetatodiaqua[3-(salicyloylhydrazone)butan-2-one oximato]nickel(II) ethanol solvate","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","DE1121","Song, You; Xu, Yan; Zhu, Dun-Ru; You, Xiao-Zeng","Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate","Acta Crystallographica Section C","2000","56","4","430","431","10.1107/S0108270100000329","","","0.71073","MoKα","","0.085","0.047","","0.134","0.122","","","","1","1.098","1.098","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010803","10.881","0.002","15.753","0.002","5.4764","0.0005","90","","90","","90","","938.7","0.2","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","DE1122","Kanazawa, Hitoshi","<i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride","Acta Crystallographica Section C","2000","56","4","469","470","10.1107/S0108270100000330","","","0.7107","MoKα","","","0.055","","","","0.158","","","","","","1.25","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010804","4.8488","0.0001","14.8294","0.0004","6.0228","0.0002","90","","110.534","0.001","90","","405.553","0.019","153","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-Alanine","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C12 H24 N4 O8 -","2","1","DE1127","Görbitz, Carl Henrik","A new {`}hydrogen-bond rule' applied to the structure of <small>L</small>-seryl-<small>L</small>-alanine and pairs of dipeptide retroanalogues","Acta Crystallographica Section C","2000","56","4","500","502","10.1107/S0108270100001463","","","0.71073","MoKα","","0.059","0.057","","","","0.127","","","","","","1.342","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010805","8.6654","0.0005","8.7898","0.0006","10.0105","0.0006","98.183","0.007","112.991","0.006","104.673","0.006","653.62","0.09","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C30 H22 N2 O8 S2 -","2","1","FR1229","Kendi, Engin; Özbey, Süheyla; Bozdoğan, Oya; Ertan, Rahmiye","Flavone-3'-sulfonamide","Acta Crystallographica Section C","2000","56","4","457","458","10.1107/S0108270199016923","","","0.71069","MoKα","","","0.037","","","","0.044","","","","","","0.9","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010806","11.227","0.001","13.443","0.001","15.835","0.002","68.06","0.01","72.55","0.01","76.3","0.01","2093.6","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N4 O2.5 -","- C21 H24 Cl N4 O2.5 -","- C84 H96 Cl4 N16 O10 -","4","2","FR1230","Özcan, Sabahat; Kendi, Engin; Tunçbilek, Meral; Göker, Hakan","Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate hemihydrate","Acta Crystallographica Section C","2000","56","4","459","460","10.1107/S0108270100000032","","","0.71069","MoKα","","","0.053","","","","0.068","","","","","","1.24","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010807","10.3","0.001","13.39","0.001","9.322","0.007","105.65","0.09","98.62","0.09","88.45","0.03","1223.9","1.1","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O2 S -","- C30 H24 N2 O2 S -","- C60 H48 N4 O4 S2 -","2","1","FR1236","Simon, Wendy M.; Trujillo, Hernando A.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>b</i>]indole","Acta Crystallographica Section C","2000","56","4","461","462","10.1107/S0108270100000020","","","0.7107","MoKα","","0.151","0.05","","0.147","","0.196","","","2.342","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010808","8.486","0.001","9.247","0.003","7.917","0.002","104.84","0.02","110","0.01","97.37","0.02","548.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 F O7 P S -","- C7 H10 F O7 P S -","- C14 H20 F2 O14 P2 S2 -","2","1","FR1237","Adani, Fabrizio; Montoneri, Enzo; Squattrito, Philip J.","4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate","Acta Crystallographica Section C","2000","56","4","463","464","10.1107/S0108270100000184","","","0.7107","MoKα","","","0.044","","","","0.064","","","","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010809","18.515","0.002","14.295","0.003","10.916","0.001","84.9","0.01","87.874","0.009","77.04","0.01","2804","0.7","296","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Cl5 O P3 Pd3 -","- C57 H51 Cl5 O P3 Pd3 -","- C114 H102 Cl10 O2 P6 Pd6 -","2","1","FR1241","Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Sheng-Gang Yan; Masahiko Maekawa; Mugumu Munakata","A novel trinuclear palladium cluster compound: di-μ~3~-chloro-tris[chloro(triphenylphosphine-<i>P</i>)palladium] acetone solvate","Acta Crystallographica Section C","2000","56","4","414","415","10.1107/S0108270199016509","","","0.7107","MoKα","","","0.037","","","","0.101","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010810","9.0913","0.0009","11.4168","0.0011","18.0817","0.0017","90","","93.46","0.007","90","","1873.3","0.3","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-iodo-1,2-diphenyl-1,2-closo-dicarbadodecaborane(9)","","- C14 H19 B10 I -","- C14 H19 B10 I -","- C56 H76 B40 I4 -","4","1","GD1068","Thomas D. McGrath; Mark A. Fox; Alan J. Welch","1,2-Ph~2~-9-I-1,2-<i>closo</i>-C~2~B~10~H~9~","Acta Crystallographica Section C","2000","56","4","487","488","10.1107/S0108270100000743","","","0.71073","MoKα","","0.0507","0.0349","","","","0.0846","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010811","11.56","0.001","8.4","0.001","13.954","0.001","90","0.01","103.41","0.01","90","0.01","1318","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O9 -","- C27 H25 N O9 -","- C54 H50 N2 O18 -","2","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.062","","","","0.098","","","","","","1.653","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010812","9.5666","0.0003","11.1026","0.0002","20.32","0.0006","90","0.01","90","0.01","90","0.01","2158.27","0.1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F N O6 -","- C23 H20 F N O6 -","- C92 H80 F4 N4 O24 -","4","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.033","","","","0.052","","","","","","1.22","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010813","12.114","0.001","8.095","0.002","18.538","0.006","90","","106.3","0.01","90","","1744.8","0.7","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N'-Bis(5-bromosalicylidene)-o-phenylenediamine]copper(II)","","- C20 H12 Br2 Cu N2 O2 -","- C20 H12 Br2 Cu N2 O2 -","- C80 H48 Br8 Cu4 N8 O8 -","4","1","GS1068","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-<i>o</i>-phenylenediaminato]copper(II)","Acta Crystallographica Section C","2000","56","4","423","424","10.1107/S0108270199016935","","","0.71093","MoKα","","0.11","0.04","","","","0.115","","","1.017","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010814","9.368","0.005","19.776","0.007","11.484","0.008","90","","101.92","0.04","90","","2082","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzoyl-2-(4-methoxyphenyl)-6-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","GS1071","Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel","Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones","Acta Crystallographica Section C","2000","56","4","473","474","10.1107/S010827010000072X","","","1.5418","CuKα","","0.101","0.05","","0.147","","0.12","","","1.013","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010815","6.272","0.002","10.687","0.003","15.327","0.004","103.39","0.02","87.79","0.03","95.62","0.02","994.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-tert-butyl-2-(4-methylphenyl)-7-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","GS1071","Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel","Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones","Acta Crystallographica Section C","2000","56","4","473","474","10.1107/S010827010000072X","","","1.5418","CuKα","","0.212","0.083","","0.304","","0.218","","","0.966","","","1.167","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010816","13.3445","0.0002","13.7089","0.0002","14.2471","0.0002","106.644","0.007","116.816","0.008","90.965","0.007","2195.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Carbonyl[dihydrobis(pyrazol-1-yl-κN^2^)borato]hydridobis- (tri-p-tolylphosphine-κP)ruthenium(II)","","- C49 H51 B N4 O P2 Ru -","- C49 H51 B N4 O P2 Ru -","- C98 H102 B2 N8 O2 P4 Ru2 -","2","1","JA1005","Huh, Seong; Park, Young Jun; Lough, Alan. J.; Jun, Moo-Jin","Carbonyl[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]hydridobis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section C","2000","56","4","416","417","10.1107/S0108270199016649","","","0.71073","MoKα","","0.114","0.061","","","","0.152","","","","","","0.965","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2010817","11.1132","0.0013","5.8547","0.0006","13.1706","0.0013","90","","100.466","0.009","90","","842.68","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(aniline)dithiocyanatocadmium(II)","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","JA1012","Moon, Hyoung-Sil; Kim, Chong-Hyeak; Lee, Sueg-Geun","One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)","Acta Crystallographica Section C","2000","56","4","425","426","10.1107/S0108270100000160","","","0.71073","MoKα","","0.0314","0.025","","","","0.0677","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010818","13.425","0.003","7.4226","0.0012","15.0382","0.0017","90","","91.881","0.013","90","","1497.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-11-oxo-18α-olean-12-en-28-oic acid methyl ester","","- C33 H54 O5 -","- C33 H54 O5 -","- C66 H108 O10 -","2","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.042","","","","0.124","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010819","6.6304","0.0012","12.886","0.002","31.442","0.005","90","","90","","90","","2686.4","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,11-Dioxo-18α-olean-12-en-28-oic acid methyl ester","","- C31 H46 O4 -","- C31 H46 O4 -","- C124 H184 O16 -","4","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.036","","","","0.105","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010820","8.898","0.002","8.898","0.002","6.947","0.002","90","","90","","120","","476.3","0.2","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","SSS","2,4,6-Tris(methylthio)-1,3,5-triazine","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C12 H18 N6 S6 -","2","0.166667","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0641","0.0337","","","","0.0879","","","","","","1.029","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010821","16.566","0.006","6.813","0.002","8.926","0.003","90","","90","","90","","1007.4","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","SSN(sss)","3-Methyl-4,6-bismethylthio-1,3,5-triazine-2(3H)-thione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C24 H36 N12 S12 -","4","0.5","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0726","0.0489","","","","0.117","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010822","9.618","0.005","11.435","0.006","13.91","0.007","107.3","0.05","100.65","0.05","93.05","0.05","1425.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","SNN","1,3-Dimethyl-4-methylthio-1,3,5-triazine-2,6(1H,3H)-dithione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C36 H54 N18 S18 -","6","3","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0603","0.0439","","","","0.1291","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010823","15.247","0.001","8.792","0.001","16.165","0.001","90","","116.6","0.01","90","","1937.6","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","NNN(sss)","1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C48 H72 N24 S24 -","8","2","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0595","0.0558","","","","0.1492","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010824","10.5235","0.0008","7.1136","0.0003","18.2587","0.0013","90","","100.632","0.009","90","","1343.38","0.16","173","1","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","isoaurone","(E)-6-Methoxy-3-(α-methoxybenzylidene)benzo[b]furan-2(3H)-one","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","JZ1387","Burke, Anthony J.; Schmalle, Helmut W.; Brady, Bernard A.; O'Sullivan, W. Ivo","(<i>E</i>)-6-Methoxy-3-(α-methoxybenzylidene)benzo[<i>b</i>]furan-2(3<i>H</i>)-one at 173K","Acta Crystallographica Section C","2000","56","4","484","486","10.1107/S0108270100000731","","","0.71073","MoKα","","","0.034","","","","0.067","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010825","9.259","0.003","7.2787","0.001","9.767","0.003","90","","110.29","0.02","90","","617.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 3-iodo-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 I N5 O3 -","- C10 H12 I N5 O3 -","- C20 H24 I2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.026","0.026","","","","0.069","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010826","9.093","0.0009","7.2595","0.001","9.6369","0.0019","90","","109.362","0.011","90","","600.16","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-3-bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 Br N5 O3 -","- C10 H12 Br N5 O3 -","- C20 H24 Br2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.04","0.035","","","","0.093","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010827","7.146","0.001","10.561","0.001","21.306","0.001","90","","90","","90","","1607.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1 Hetero-assembly of 2-Aminopyrimidine and (+)-Camphoric acid","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C56 H84 N12 O16 -","4","1","LN1090","Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid","Acta Crystallographica Section C","2000","56","4","477","478","10.1107/S0108270100000755","","","0.71073","MoKα","","0.138","0.065","","","","0.159","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010828","16.544","0.004","4.477","0.001","21.993","0.003","90","0.02","92.14","0.01","90","0.02","1627.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)- 4-methylhex-4-enoate","","- C17 H19 Na O6 -","- C17 H19 Na O6 -","- C68 H76 Na4 O24 -","4","1","LN1094","Rihs, Grety; Papageorgiou, Christos; Pfeffer, Sabine","Sodium mycophenolate","Acta Crystallographica Section C","2000","56","4","432","433","10.1107/S0108270100000524","","","1.54178","CuKα","","0.085","0.048","","0.152","","0.121","","","0.857","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010829","9.4958","0.001","10.1947","0.0008","22.124","0.002","90","","90","","90","","2141.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azet idin-2-one","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","LN1096","Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van","(3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one","Acta Crystallographica Section C","2000","56","4","481","483","10.1107/S0108270100000767","","","0.71073","MoKα","","0.064","0.04","","","","0.106","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010830","11.4515","0.0002","8.6572","0.0001","22.6109","0.0004","90","","90.864","0.001","90","","2241.34","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c] quinoline","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C104 H88 N8 O8 S4 -","4","1","NA1443","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Babu, G.; Perumal, P.T.","4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3<i>H</i>-cyclopenta[<i>c</i>]quinoline","Acta Crystallographica Section C","2000","56","4","475","476","10.1107/S0108270100000640","","","0.71073","MoKα","","0.094","0.054","","","","0.149","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010831","7.025","0.001","8.0689","0.0004","16.754","0.002","90","","90","","90","","949.68","0.18","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-acetyl-L-threoninate ammonium","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0362","0.0358","","","","0.0435","","","","","","0.964","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010832","8.14","0.0009","7.178","0.002","9.081","0.001","90","","113.52","0.01","90","","486.51","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-acetyl-L-threoninate methylammonium","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C14 H32 N4 O8 -","2","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0415","0.0412","","","","0.0487","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010833","7.754","0.004","8.949","0.008","11.251","0.007","78.48","0.06","70.26","0.04","70.06","0.06","687.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3-methoxybenzoyl)-3,3-diethylthiourea","","- C13 H18 N2 O2 S -","- C13 H15 N2 O2 S -","- C26 H30 N4 O4 S2 -","2","1","NA1453","Dago Morales, Angel; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Pomés Hernández, Ramón","1-(3-Methoxybenzoyl)-3,3-diethylthiourea","Acta Crystallographica Section C","2000","56","4","503","504","10.1107/S0108270100001554","","","0.71073","MoKα","","0.0866","0.0595","","","","0.1842","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010834","5.422","0.002","8.3254","0.0019","12.542","0.004","90","","90.39","0.03","90","","566.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium chromium(II) diphosphate","strontium chromium(II) diphosphate","","- Cr O7 P2 Sr -","- Cr O7 P2 Sr -","- Cr4 O28 P8 Sr4 -","4","1","OS1092","Maaß, Kai; Glaum, Robert","Strontium chromium(II) diphosphate, SrCrP~2~O~7~","Acta Crystallographica Section C","2000","56","4","404","406","10.1107/S0108270100000226","","","0.71073","MoKα","","0.029","0.027","","","","0.076","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010835","9.704","0.002","19.102","0.004","17.407","0.004","90","","103.85","0.02","90","","3132.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis-(2-tosylaminobenzylidene)benzene-1,2-diamine","","- C34 H30 N4 O4 S2 -","- C34 H30 N4 O4 S2 -","- C136 H120 N16 O16 S8 -","4","1","OS1099","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine","Acta Crystallographica Section C","2000","56","4","492","493","10.1107/S0108270100000809","","","0.71073","MoKα","","0.104","0.057","","","","0.143","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010836","5.0864","0.0008","7.315","0.003","35.812","0.009","90","","90","0.02","90","","1332.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-guanidinium-5-[2-(fluoromethyl)phenyl]-1,3,4-thiadiazole chloride","","- C10 H9 Cl F3 N5 S -","- C10 H9 Cl F3 N5 S -","- C40 H36 Cl4 F12 N20 S4 -","4","1","OS1100","Janes, Robert W.","1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride","Acta Crystallographica Section C","2000","56","4","508","509","10.1107/S0108270100001669","","","1.54178","CuKα","","0.0658","0.0508","","","","0.1491","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010837","6.891","0.001","7.345","0.001","9.497","0.002","90","","92.46","0.03","90","","480.24","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,4R,5S)-2-(2-Hydroxyethyl)-3,4,5-trihydroxypiperidine hydrochloride","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C14 H32 Cl2 N2 O8 -","2","1","QA0204","Koman, Marian; Szolcsányi, Peter; Gracza, Tibor","(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride","Acta Crystallographica Section C","2000","56","4","e138","e138","10.1107/S0108270100003231","","","0.71073","MoKα","","0.089","0.056","","0.276","","0.157","","","0.906","","","0.933","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010838","14.0685","0.0009","11.9199","0.0009","15.7428","0.0007","90","","99.541","0.004","90","","2603.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[(μ-κO:O'-acetato)(μ-κO:μ-κ^2^O'-acetato){(cyclopentadienyl)tris (dimethylphosphito-P)cobalt-O,O',O""}neodymium(III)]","","- C30 H58 Co2 Nd2 O26 P6 -","- C30 H58 Co2 Nd2 O26 P6 -","- C60 H116 Co4 Nd4 O52 P12 -","2","0.5","QA0226","Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)}","Acta Crystallographica Section C","2000","56","4","e120","e121","10.1107/S0108270100003243","","","0.71073","MoKα","","0.051","0.044","","","","0.123","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010839","6.287","0.006","6.287","0.006","31.93","0.01","90","","90","","90","","1262.1","1.7","293.2","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C13 H8 S4 -","- C13 H8 S4 -","- C52 H32 S16 -","4","0.5","QA0227","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-Ichiro","2,2'-Spirobi(1,3-benzodithiole)","Acta Crystallographica Section C","2000","56","4","e160","e161","10.1107/S0108270100003528","","","0.7107","MoKα","","","0.0347","","","","0.0453","","","","","","1.325","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010840","8.414","0.001","15.763","0.002","6.991","0.001","91.82","0.01","99.91","0.01","81.59","0.01","903.5","0.2","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C40 H30 N6 O12 -","2","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.044","","","","0.147","","","","","","1.08","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010841","8.504","0.002","29.533","0.004","8.568","0.002","90","","108.05","0.02","90","","2045.9","0.8","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.041","","","","0.122","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010842","16.723","0.002","16.784","0.003","8.4129","0.0009","102.36","0.01","92.34","0.01","109.91","0.01","2152","0.5","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","2","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.061","","","","0.192","","","","","","1.74","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010843","8.212","0.002","31.924","0.002","8.438","0.001","90","","106.54","0.01","90","","2120.6","0.6","298","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.049","","","","0.165","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010844","8.339","0.002","27.604","0.004","7.817","0.002","90","","90","","90","","1799.4","0.7","293","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.063","","","","0.162","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010845","16.227","0.002","6.982","0.002","17.435","0.002","90","","107.3","0.01","90","","1886","0.6","293","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.064","","","","0.16","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010846","8.785","0.001","12.276","0.002","7.696","0.001","107.37","0.01","105.86","0.01","77.01","0.01","752.64","0.19","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.05","","","","0.136","","","","","","0.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010847","8.102","0.002","7.734","0.001","24.218","0.001","90","","95.77","0.01","90","","1509.8","0.4","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.04","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010848","13.774","0.002","18.615","0.001","5.888","0.002","90","","90","","90","","1509.7","0.6","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.035","","","","0.093","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010849","20.242","0.003","9.788","0.001","17.524","0.002","90","","115.36","0.01","90","","3137.4","0.7","300","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonapotassium cerium tetraphosphorus hexadecasulfide","","- Ce K9 P4 S16 -","- Ce K9 P4 S16 -","- Ce4 K36 P16 S64 -","4","0.5","QA0232","Gauthier, Gilles; Jobic, Stephane; Danaire, Veronique; Brec, Raymond; Evain, Michel","K~9~CeP~4~S~16~, a new thiophosphate of cerium with discrete [Ce(PS~4~)~4~]^9{-^} anions","Acta Crystallographica Section C","2000","56","4","e117","e117","10.1107/S0108270100003395","","","0.71073","MoKα","","0.037","0.026","","","","0.061","","","","1.06","1.06","1.12","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010850","12.517","0.002","11.5","0.003","16.413","0.002","90","","106.893","0.009","90","","2260.6","0.8","297","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 Ni O2 -","- C28 H22 N2 Ni O2 -","- C112 H88 N8 Ni4 O8 -","4","1","QA0233","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II)","Acta Crystallographica Section C","2000","56","4","e122","e122","10.1107/S0108270100003255","","","0.7107","MoKα","","","0.044","","","","0.109","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010851","13.409","0.003","13.656","0.003","7.432","0.002","95.03","0.03","90.11","0.02","113.99","0.01","1237.5","0.5","295","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C40 H76 N4 O16 -","4","2","QA0235","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Triethylammonium hydrogen fumarate","Acta Crystallographica Section C","2000","56","4","e139","e139","10.1107/S0108270100003267","","","0.71073","MoKα","","","0.045","","","","0.117","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010852","5.8046","0.0003","10.64","0.0017","12.9556","0.0014","109.428","0.011","102.416","0.007","90.25","0.008","734.44","0.16","294","1","294","1","","","","","","","","4","P 1","P 1","1","N-3,5-dinitrobenzoyl-L-leucine","3,5-dinitro-N`-[(1R)-1,3-dimethylbutyl]benzamide","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C26 H30 N6 O14 -","2","2","QA0236","Gallagher, John F.; Kenny, Peter T. M.; O`Donohoe, Michael","Intermolecular hydrogen bonding of the two independent molecules of <i>N</i>-3,5-dinitrobenzoyl-<small>L</small>-leucine","Acta Crystallographica Section C","2000","56","4","e157","e158","10.1107/S0108270100003486","","","0.7107","MoKα","","0.111","0.045","","","","0.079","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010853","13.6929","0.0005","13.6929","0.0005","14.8094","0.0006","90","","90","","90","","2776.7","0.18","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Bis(tetraethylammonium) tetraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.072","0.048","","","","0.122","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010854","13.8199","0.0006","13.8199","0.0006","14.8975","0.0007","90","","90","","90","","2845.3","0.2","301","2","301","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","bis(tetraethylammonium) tertraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.075","0.049","","","","0.135","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010855","11.728","0.004","5.105","0.003","14.547","0.002","90","","99.83","0.02","90","","858.2","0.6","299","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 O6 Zn -","- C18 H18 O6 Zn -","- C36 H36 O12 Zn2 -","2","0.5","QA0239","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","<i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2000","56","4","e123","e123","10.1107/S0108270100003358","","","0.71073","MoKα","","","0.034","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010856","6.878","0.003","19.658","0.003","26.493","0.002","90","","91.33","0.02","90","","3581.1","1.7","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H56 O6 S2 Si -","- C32 H56 O6 S2 Si -","- C128 H224 O24 S8 Si4 -","4","2","QA0240","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","({-})-(3<i>S</i>)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol","Acta Crystallographica Section C","2000","56","4","e140","e141","10.1107/S010827010000336X","","","0.71073","MoKα","","","0.051","","","","0.13","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010857","11.2649","0.0001","13.1101","0.0002","16.6181","0.0003","90","","94.2249","0.0003","90","","2447.56","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(8-quinolinolato-N,O)Cobalt(III) Ethanol Solvate","","- C29 H24 Co N3 O4 -","- C29 H24 Co N3 O4 -","- C116 H96 Co4 N12 O16 -","4","1","QA0241","Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zhao, PuSu; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin","Tris(8-quinolinolato-<i>N</i>,<i>O</i>)cobalt(III) ethanol solvate","Acta Crystallographica Section C","2000","56","4","e130","e131","10.1107/S0108270100003516","","","0.71073","MoKα","","0.102","0.055","","","","0.147","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010858","7.911","0.002","8.984","0.002","11.133","0.003","108.56","0.03","94.6","0.03","112.38","0.03","675","0.4","150","","150","","","","","","","","","3","P -1","-P 1","2","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C36 H32 N4 -","2","1","QA0242","Boyer, Isabelle; Quillard, Sophie; Corraze, Benoit; Deniard, Philippe; Evain, Michel","A second polymorphic form of <i>N</i>,<i>N</i>'-diphenyl-1,4-phenylenediamine","Acta Crystallographica Section C","2000","56","4","e159","e159","10.1107/S0108270100003498","","","0.71073","MoKα","","0.046","0.03","","","","0.069","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010859","14.059","0.001","7.1282","0.0009","22.621","0.002","90","","94.148","0.001","90","","2261","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Phenylbutan-2-one semicarbazone","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","8","2","QA0243","Degen, Alexander; Rühl, Stephan; Bolte, Michael","4-Phenylbutan-2-one semicarbazone","Acta Crystallographica Section C","2000","56","4","e162","e163","10.1107/S0108270100003802","","","0.71073","MoKα","","0.065","0.046","","","","0.109","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010860","8.23","0.001","15.423","0.002","8.476","0.001","90","","113.81","0.03","90","","984.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O2 S -","- C8 H13 N3 O2 S -","- C32 H52 N12 O8 S4 -","4","1","QA0244","Lazrak, Fatima; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","1,2,4-Triazolo[2,3-<i>h</i>]-7,9-thiaza-11-crown-4","Acta Crystallographica Section C","2000","56","4","e164","e164","10.1107/S0108270100003814","","","0.71073","MoKα","","0.064","0.038","","","","0.081","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010861","10.242","0.001","10.874","0.002","23.168","0.005","92.5","0.02","100.39","0.02","97.6","0.02","2509.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Chlorocobalt(III)(μ-C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O:O')trichlorozinc(II)]","","- C18 H37 Cl4 Co N4 O2 Zn -","- C18 H37 Cl4 Co N4 O2 Zn -","- C72 H148 Cl16 Co4 N16 O8 Zn4 -","4","2","QA0245","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","(μ-<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-1κ^5^<i>N,N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>:2κ<i>O</i>')tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-cobalt(III)zinc(II)","Acta Crystallographica Section C","2000","56","4","e128","e129","10.1107/S0108270100003504","","","0.71073","MoKα","","0.12","0.052","","","","0.131","","","","","","0.932","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010862","8.76","0.002","32.09","0.002","6.269","0.002","90","","90","","90","","1762.3","0.7","248","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C72 H96 O12 S4 -","4","1","QA0246","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","(+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol","Acta Crystallographica Section C","2000","56","4","e142","e143","10.1107/S0108270100003371","","","1.54184","CuKα","","","0.04","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010863","8.73","0.001","10.052","0.001","14.998","0.002","90","","99.36","0.01","90","","1298.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","QA0247","Ould, Mohammed Sydia Mohamed Said; Djerrari, Bahia; El Abbassi, M'Barek; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section C","2000","56","4","e165","e166","10.1107/S0108270100003826","","","0.71073","MoKα","","0.046","0.039","","","","0.113","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010864","8.9821","0.0014","10.856","0.0018","14.3002","0.0019","91.279","0.016","107.901","0.016","107.173","0.015","1257.9","0.4","294","1","294","1","","","","","","","","7","P -1","-P 1","2","","cis-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II)","","- C24 H28 Cl2 N O P Pd -","- C24 H28 Cl2 N O P Pd -","- C48 H56 Cl4 N2 O2 P2 Pd2 -","2","1","QA0248","McCrindle, Robert; McAlees, Alan J.; Zang, Erle; Ferguson, George","<i>cis</i>-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate","Acta Crystallographica Section C","2000","56","4","e132","e133","10.1107/S0108270100003838","","","0.71073","MoKα","","0.041","0.028","","","","0.063","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010865","10.485","0.003","8.179","0.001","20.985","0.001","90","","100.98","0.01","90","","1766.7","0.6","248","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohex-1-enecarboxylic acid benzyl-(2-methoxy-phenyl)-amide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","QA0250","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(2-methoxyphenyl)cyclohex-1-enecarboxamide","Acta Crystallographica Section C","2000","56","4","e151","e151","10.1107/S0108270100004029","","","1.54184","CuKα","","","0.055","","","","0.159","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010866","17.479","0.003","9.1","0.002","21.494","0.003","90","","101.94","0.01","90","","3344.8","1.1","248","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-Isopropyl-N-{(E)-2-phenyl-propenyl}-thiobenzamide","","- C19 H21 N S -","- C19 H21 N S -","- C152 H168 N8 S8 -","8","1","QA0252","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e152","e153","10.1107/S0108270100004030","","","1.54184","CuKα","","","0.046","","","","0.134","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010867","19.483","0.001","9.111","0.001","21.611","0.002","90","","105.39","0.01","90","","3698.6","0.6","248","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Isopropyl-3-methoxy-N-{(E)-2-phenyl-propenyl}-thiobenzamide","","- C20 H23 N O S -","- C20 H23 N O S -","- C160 H184 N8 O8 S8 -","8","1","QA0252","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e152","e153","10.1107/S0108270100004030","","","1.54184","CuKα","","","0.035","","","","0.101","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010868","10.057","0.003","8.344","0.003","17.962","0.004","90","","100.13","0.02","90","","1483.8","0.8","298","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-N-{(Z)-2-phenyl-propenyl}-thiobenzamide","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","QA0253","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Methyl-<i>N</i>-[(<i>Z</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e154","e154","10.1107/S0108270100004042","","","0.71073","MoKα","","","0.066","","","","0.175","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010869","11.166","0.001","13.423","0.001","10.878","0.001","90","","90","","90","","1630.4","0.2","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-4-methyl-4-phenyl-3,4-dihydro-2H-isoquinoline-1-thione","","- C19 H21 N S -","- C19 H21 N S -","- C76 H84 N4 S4 -","4","1","QA0254","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione","Acta Crystallographica Section C","2000","56","4","e155","e155","10.1107/S0108270100004054","","","0.71073","MoKα","","","0.043","","","","0.124","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010870","21.4651","0.0012","13.3773","0.0008","23.3868","0.0014","90","","90","","90","","6715.4","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H19 F20 Ga N2 -","- C32 H19 F20 Ga N2 -","- C256 H152 F160 Ga8 N16 -","8","1","QB0173","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate","Acta Crystallographica Section C","2000","56","4","e134","e135","10.1107/S0108270100003899","","","0.71073","MoKα","","0.114","0.045","","","","0.075","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010871","10.904","0.003","13.184","0.004","10.352","0.002","99.74","0.02","97.24","0.02","80.06","0.02","1437.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[Co(acac)~2~(PMePh~2~)(MeOH)]PF~6~.H~2~O","trans-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) Hexafluorophosphate Hydrate","","- C24 H33 Co F6 O6 P2 -","- C24 H31 Co F6 O5.776 P2 -","- C48 H62 Co2 F12 O11.552 P4 -","2","1","QB0187","Suzuki, Takayoshi","<i>trans</i>-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate","Acta Crystallographica Section C","2000","56","4","e118","e119","10.1107/S0108270100002894","","","0.71073","MoKα","","0.194","0.055","","","","0.167","","","","","","0.965","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010872","7.1304","0.0004","6.9381","0.0004","13.415","0.0007","90","","90.901","0.004","90","","663.58","0.06","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-dihydro-2-(1,2-dihydroxyprop-2-yl)-8H-furo[2,3-h]benzopyran-8-one monohydrate","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","QB0188","Billiot, Fereshteh Haddadian; Billodeaux, Damon R.; Watkins, Steven F.; Fronczek, Frank R.","A chiral furocoumarin","Acta Crystallographica Section C","2000","56","4","e136","e137","10.1107/S0108270100002705","","","1.54184","CuKα","","0.038","0.036","","","","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010873","33.654","0.009","30.229","0.008","6.798","0.002","90","","94.74","0.01","90","","6892","3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis-[(4,4""-didecyloxy-p-terphenyl-2'-yl)methyl]carbonate","","- C79 H110 O7 -","- C79 H110 O7 -","- C316 H440 O28 -","4","1","QB0192","Gupta, Sakuntala; Palmer, R. A.; Potter, B. S.; Frampton, C. S.; Tschierske, Carsten; SenGupta, S. P.","A double mesogen based on linked <i>p</i>-terphenyl units","Acta Crystallographica Section C","2000","56","4","e156","e156","10.1107/S0108270100003279","","","0.71073","MoKα","","0.242","0.071","","0.201","","0.13","","","1.016","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010874","7.68","0.0011","8.576","0.002","8.889","0.002","88.29","0.02","78.46","0.02","67.29","0.02","528.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridilate)nickel(II)","bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)","","- C24 H18 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","1","0.5","QB0193","Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard","Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2000","56","4","e126","e127","10.1107/S0108270100003401","","","1.5418","CuKα","","0.056","0.046","","","","0.131","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010875","7.7763","0.0008","15.736","0.002","8.839","0.0014","90","","96.56","0.011","90","","1074.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(pyridilate)nickel(II)","bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)","","- C24 H18 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","- C48 H32 N8 Ni2 O12 -","2","1","QB0193","Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard","Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2000","56","4","e126","e127","10.1107/S0108270100003401","","","1.5418","CuKα","","0.055","0.044","","","","0.116","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010876","8.7124","0.0012","9.0659","0.0005","12.7901","0.0015","87.537","0.008","86.992","0.01","87.873","0.008","1007.3","0.19","163","2","163","2","","","","","","","","3","P -1","-P 1","2","1,3,5-Tri(chloromethyl)benzene","","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C36 H36 Cl12 -","4","2","QB0195","Bryan, Jeffrey C.; Burnett, Michael N.; Sachleben, Richard A.","1,3,5-Tris(chloromethyl)benzene","Acta Crystallographica Section C","2000","56","4","e167","e167","10.1107/S0108270100003875","","","0.71073","MoKα","","0.052","0.032","","","","0.088","","","","","","1.041","","","","has coordinates","192316","2020-10-21","18:00:00",""
"2010877","12.474","0.003","15.213","0.004","10.684","0.003","90","","105.95","0.03","90","","1949.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid(4-oxo-2-propyl-4H-quinazolin-3-yl)-amide","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","1","QB0196","Shishkina, S. V.; Shishkin, O. V.; Ukrainets, I. V.; Jaradat, N. A.; Gorokhova, O. V.","4-Hydroxy-1-methyl-2-oxo-<i>N</i>-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section C","2000","56","4","e168","e169","10.1107/S0108270100003887","","","0.71073","MoKα","","0.134","0.064","","","","0.19","","","","","","0.955","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010878","6.6583","0.0001","13.733","0.002","17.414","0.001","90","","116.57","0.01","90","","1424.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BEDT-TTF","bis(ethylenedithio)tetrathiafulvalene","","- C10 H8 S8 -","- C10 H8 S8 -","- C40 H32 S32 -","4","1","SK1337","Philippe Guionneau; Daniel Chasseau; Judith A.K. Howard; Peter Day","Neutral bis(ethylenedithio)tetrathiafulvalene at 100K","Acta Crystallographica Section C","2000","56","4","453","454","10.1107/S0108270199016753","","","0.71073","MoKα","","0.0399","0.0273","","","","0.061","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010879","8.4937","0.0006","8.5226","0.0004","27.884","0.004","90","","90","","90","","2018.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[[bis(dimethyl sulfoxide-κO)tris(thiocyanato-κN)manganese(II)]-μ- thiocyanato-κ^2^N:S-mercury(II)]","","- C8 H12 Hg Mn N4 O2 S6 -","- C8 H12 Hg Mn N4 O2 S6 -","- C32 H48 Hg4 Mn4 N16 O8 S24 -","4","1","SK1349","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)tris(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]","Acta Crystallographica Section C","2000","56","4","418","420","10.1107/S0108270199016765","","","0.71073","MoKα","","0.07","0.043","","","","0.112","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010880","12.877","0.001","15.079","0.002","16.212","0.003","65.1","0.02","71.71","0.02","69.93","0.02","2628.4","0.8","295","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorobis[N-2-hydroxybuthyl)salicylideneiminato-N,O,O'copper(II)] methanol hydrate (1/1/1).","","- C45 H62 Cl4 Cu4 N4 O10 -","- C45 H62 Cl4 Cu4 N4 O10 -","- C90 H124 Cl8 Cu8 N8 O20 -","2","1","AV1033","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","A 1:1 cocrystal of di-μ-chloro-bis{[<i>N</i>-(1-hydroxybut-2-yl)salicylideneiminato-<i>N</i>,<i>O</i>,<i>O</i>']copper(II)} monohydrate and its methanol solvate","Acta Crystallographica Section C","2000","56","5","562","563","10.1107/S0108270100002559","","","0.71073","MoKα","","0.0549","0.0458","","","","0.1186","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010881","9.727","0.002","13.781","0.002","9.956","0.002","90","","90.46","0.02","90","","1334.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris-(2-cyanoethyl)isocyanuric acid","tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C48 H48 N24 O12 -","4","1","BK1500","Thallapally, Praveen K.; Desiraju, Gautam R.; tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","Tris(2-cyanoethyl) isocyanurate","Acta Crystallographica Section C","2000","56","5","572","573","10.1107/S0108270100001396","","","0.71073","MoKα","","0.095","0.063","","0.19","0.157","","","","1.067","1.109","1.109","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010882","9.4539","0.0002","11.8134","0.0003","12.8999","0.0003","86.918","0.001","83.194","0.001","77.308","0.001","1395.02","0.06","193","2","","","","","","","","","","7","P -1","-P 1","2","((Trimethylsilyl)amino)gallium dichloride THF","Dichloro(tetrahydrofuran-O)[(trimethylsilyl)amido-N]gallium(III)","","- C7 H18 Cl2 Ga N O Si -","- C7 H12 Cl2 Ga N O Si -","- C28 H48 Cl8 Ga4 N4 O4 Si4 -","4","2","BK1507","Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees Jr, William S.","Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III)","Acta Crystallographica Section C","2000","56","5","560","561","10.1107/S010827010000247X","","","0.71073","MoKα","","","0.038","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010883","11.368","0.002","16.922","0.003","11.092","0.002","103.26","0.02","117.8","0.01","89.64","0.02","1824.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1,2:1,3-Bis(μ-p-toluato-O:O')-1-(triphenylphosphine-P)- 1-ruthena-closo-undecaborane","","- C34 H37 B10 O4 P Ru -","- C34 H37 B10 O4 P Ru -","- C68 H74 B20 O8 P2 Ru2 -","2","1","BK1512","Nie, Yong; Hu, Chun-Hua; Wu, Qiang-Jin; Lu, Shao-Fang; Jin, Ruo-Shui; Zheng, Pei-Ju","1,2:1,3-Bis(μ-<i>p</i>-toluato-<i>O</i>:<i>O</i>')-1-(triphenylphosphine-<i>P</i>)-1-ruthena-<i>closo</i>-undecaborane","Acta Crystallographica Section C","2000","56","5","536","537","10.1107/S0108270100001207","","","0.71069","MoKα","","0.057","0.041","","","","0.123","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010884","4.032","0.002","5.717","0.001","9.626","0.001","86.04","0.01","80.6","0.02","86.09","0.03","218.02","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,5-bis(methylthio)-1,4-benzoquinone","2,5-Bis(methylthio)-1,4-benzoquinone","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","1","0.5","BK1513","Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.","2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2000","56","5","574","576","10.1107/S0108270100001402","","","1.54178","CuKα","","0.044","0.043","","","","0.111","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010885","5.8228","0.0005","10.44","0.001","8.6217","0.0009","90","","99.57","0.01","90","","516.82","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","","- C10 H10 O2 S2 -","- C10 H10 O2 S2 -","- C20 H20 O4 S4 -","2","1","BK1513","Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.","2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2000","56","5","574","576","10.1107/S0108270100001402","","","0.71069","MoKα","","0.046","0.029","","","","0.109","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010886","12.3629","0.0007","6.7768","0.0004","16.9374","0.0012","90","","101.151","0.006","90","","1392.24","0.15","294","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Na O6 -","- C12 H17 Na O6 -","- C48 H68 Na4 O24 -","4","1","BM1395","Muir, Kenneth W.; Macdonald, Alistair; Murray, Alistair; Macdonald, Allison","Sodium dihydrogen tris(cyclopropanecarboxylate)","Acta Crystallographica Section C","2000","56","5","534","535","10.1107/S0108270100001128","","","0.71073","MoKα","","","0.042","","","","0.125","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010887","17.995","0.004","16.601","0.003","16.879","0.003","90","","114.52","0.03","90","","4587.6","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Cl2 Cu N4 O6.5 -","- C20 H25 Cl2 Cu N4 O6.5 -","- C160 H200 Cl16 Cu8 N32 O52 -","8","1","BM1397","Koman, Marian; Seglá, Peter; Jamnický, Miroslav; Glowiak, Tadeusz","Chlorobis[4,4-bis(hydroxymethyl)-2-(2-pyridyl)-4,5-dihydrooxazole-<i>N</i>,<i>N</i>']copper(II) chloride hemihydrate","Acta Crystallographica Section C","2000","56","5","554","555","10.1107/S0108270100001633","","","0.71073","MoKα","","0.0632","0.0284","","","","0.0518","","","","","","0.804","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010888","8.9439","0.0009","11.5231","0.0012","12.0135","0.0012","63.663","0.003","68.248","0.003","75.966","0.003","1026.06","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C50 H42 N6 O4 S2 -","2","1","BM1400","Jain, Subhash C.; Bharadvaja, Aparna; Kumar, Rohtash; Agarwal, Deepti; Errington, William","3-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section C","2000","56","5","592","593","10.1107/S0108270100001815","","","0.71073","MoKα","","0.0704","0.0434","","","","0.1156","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010889","14.3618","0.0001","10.46","0.0001","7.5779","0.0001","90","","90","","90","","1138.39","0.02","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H16 B8 N2 -","- C5 H16 B8 N2 -","- C20 H64 B32 N8 -","4","1","BR1272","Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark","Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~","Acta Crystallographica Section C","2000","56","5","600","601","10.1107/S0108270100002742","","","0.71073","MoKα","","0.0365","0.0348","","","","0.0931","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010890","10.066","0.001","9.681","0.002","10.234","0.001","90","","119.78","0.001","90","","865.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","potassium trinickel arsenate diarsenate","","- As3 K Ni3 O11 -","- As3 K Ni3 O11 -","- As12 K4 Ni12 O44 -","4","1","BR1273","Ben Smail, Ridha; Jouini, Tahar","KNi~3~(AsO~4~)(As~2~O~7~)","Acta Crystallographica Section C","2000","56","5","513","514","10.1107/S0108270100000792","","","0.71069","MoKα","","0.059","0.032","","0.066","","0.059","","","1.098","","","1.144","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010891","5.7354","0.0011","5.7354","0.0011","4.6635","0.0018","90","","90","","120","","132.85","0.06","298","2","298","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","potassium hexafluoro titanate","dipotassium hexafluorotitanate(IV)","","- F6 K2 Ti -","- F6 K2 Ti -","- F6 K2 Ti -","1","0.0833333","BR1278","Göbel, Ole","Rerefinement of K~2~[TiF~6~]","Acta Crystallographica Section C","2000","56","5","521","522","10.1107/S0108270100002560","","","0.71073","MoKα","","0.04","0.028","","","","0.05","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010892","6.2394","0.0008","11.6342","0.0008","14.1648","0.0012","89.697","0.007","88.44","0.009","81.32","0.008","1016.07","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","","- C16 H26 Ca O11 -","- C16 H26 Ca O11 -","- C32 H52 Ca2 O22 -","2","1","DA1102","Morin, Gregory, T.; Shang, Maoyu; Smith, Bradley D.; Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","Calcium(II) <i>meso</i>-2,3-diphenylsuccinate heptahydrate","Acta Crystallographica Section C","2000","56","5","544","545","10.1107/S0108270100001578","","","0.71073","MoKα","","0.035","0.032","","0.083","0.079","","","","1.057","1.056","1.056","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010893","8.231","0.0016","10.655","0.002","17.042","0.003","90","","102.26","0.03","90","","1460.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~)]~2~","","- C22 H42 B8 Si2 Ti2 -","- C22 H42 B8 Si2 Ti2 -","- C44 H84 B16 Si4 Ti4 -","2","0.5","DA1105","Hosmane, Narayan S.; Zheng, Chong","The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~]~2~","Acta Crystallographica Section C","2000","56","5","525","527","10.1107/S0108270100001013","","","0.71073","MoKα","","0.0583","0.0354","","","","0.0889","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010894","7.532","0.002","9.073","0.003","14.654","0.004","90","","99.07","0.02","90","","988.9","0.5","288","2","288","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(3-methoxy-4-methyl-N-methylbenzohydroxamato-O,O') copper(II)","","- C20 H24 Cu N2 O6 -","- C20 H24 Cu N2 O6 -","- C40 H48 Cu2 N4 O12 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.0478","0.0345","","0.0952","","0.0873","","","1.057","","","1.112","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010895","6.5953","0.0009","19.503","0.002","7.387","0.001","90","","116.454","0.009","90","","850.7","0.2","288","2","288","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-chloro-N-methylbenzohydroxamato-O,O') copper(II)","","- C16 H14 Cl2 Cu N2 O4 -","- C16 H14 Cl2 Cu N2 O4 -","- C32 H28 Cl4 Cu2 N4 O8 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.04","0.0299","","0.0839","","0.0755","","","1.101","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010896","11.197","0.002","9.571","0.001","14.676","0.002","90","","107.21","0.01","90","","1502.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dinitro-N-methylbenzohydroxamato-O,O') copper(II): chloroform (1:1)","","- C17 H13 Cl3 Cu N6 O12 -","- C18 H14 Cl6 Cu N6 O12 -","- C36 H28 Cl12 Cu2 N12 O24 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.0845","0.0498","","0.1325","","0.113","","","1.05","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010897","15.651","0.003","16.048","0.003","24.022","0.005","90","","108.18","0.03","90","","5732","2","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(μ-3,11-diethyl-6,8-diphenyl-3,6,8,11-tetraphosphatridecane- κ^4^-P^3^,P^6^:P^8^,P^11^)dirhodium(I) bis(tetrafluoroborate)","","- C50 H80 B2 F8 P8 Rh2 -","- C50 H80 B2 F8 P8 Rh2 -","- C200 H320 B8 F32 P32 Rh8 -","4","1","DA1112","Hunt Jr, Clinton; Nelson, Brent D.; Harmon, Elisa G.; Fronczek, Frank R.; Watkins, Steven F.; Billodeaux, Damon R.; Stanley, George G.","A binuclear rhodium(I) complex with two tetraphosphine ligands at 100K","Acta Crystallographica Section C","2000","56","5","546","548","10.1107/S010827010000158X","","","0.71073","MoKα","","0.049","0.038","","0.095","0.089","","","","1.04","1.03","1.03","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010898","17.472","0.004","4.9237","0.001","9.956","0.002","90","","94.08","0.03","90","","854.3","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,3(R):4,6(R)-di-O-benzylidene-D-mannitol","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","DA1113","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","2000","56","5","582","583","10.1107/S0108270100001591","","","1.54184","CuKα","","0.034","0.033","","","","0.093","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010899","5.902","0.001","8.628","0.002","12.949","0.002","95.02","0.01","93.34","0.01","102.45","0.01","639.4","0.2","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","2,2,5,5,8,8-hexamethyl-4,5,7,8-tetrahydroimidazo[1,2-a]pyrazine- -3,6-dione","","- C12 H19 N3 O2 -","- C12 H19 N3 O2 -","- C24 H38 N6 O4 -","2","1","DA1114","Basiuk, Vladimir A.; Van Meervelt, Luc; Soloshonok, Vadim A.; Basiuk, Elena V.","2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-<i>a</i>]pyrazine-3,6-dione, a bicyclic product of α-aminoisobutyric acid condensation","Acta Crystallographica Section C","2000","56","5","598","599","10.1107/S0108270100002766","","","0.71073","MoKα","","0.0679","0.0424","","","","0.1164","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010900","13.2543","0.0009","25.7694","0.0018","3.8521","0.0002","90","","90","","90","","1315.71","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,2,7,8 dibenzofluorenone","13H-dibenzo[a,i]fluoren-13-one","","- C21 H12 O -","- C21 H12 O -","- C84 H48 O4 -","4","0.5","DA1115","Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W.","13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one","Acta Crystallographica Section C","2000","56","5","570","571","10.1107/S0108270100001049","","","0.71073","MoKα","","0.116","0.054","","","","0.167","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010901","8.32","0.002","11.222","0.003","12.409","0.003","115.317","0.004","107.351","0.004","92.688","0.004","979","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","bis(diethoxyselenophosphinoyl) triselenide","","- C8 H20 O4 P2 Se5 -","- C8 H20 O4 P2 Se5 -","- C16 H40 O8 P4 Se10 -","2","1","DA1125","Béreau, Virginie; Ibers, James A.","Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide","Acta Crystallographica Section C","2000","56","5","584","586","10.1107/S0108270100001608","","","0.71073","MoKα","","0.029","0.021","","","","0.054","","","","","","0.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010902","8.3796","0.001","8.5314","0.001","8.5577","0.001","98.668","0.002","111.851","0.002","93.459","0.002","556.81","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","bis(diisopropoxyselenophosphinoyl) diselenide","","- C12 H28 O4 P2 Se4 -","- C12 H28 O4 P2 Se4 -","- C12 H28 O4 P2 Se4 -","1","0.5","DA1125","Béreau, Virginie; Ibers, James A.","Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide","Acta Crystallographica Section C","2000","56","5","584","586","10.1107/S0108270100001608","","","0.71073","MoKα","","0.029","0.026","","","","0.071","","","","","","1.33","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010903","5.794","0.004","4.719","0.005","28.688","0.005","90","","95.08","0.03","90","","781.3","1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid monohydrate","3,4,5-trihydroxybenzoic acid monohydrate","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","DE1123","Jiang, Ren-Wang; Ming, Dong-Sheng; But, Paul P. H.; Mak, Thomas C. W.","Gallic acid monohydrate","Acta Crystallographica Section C","2000","56","5","594","595","10.1107/S0108270100001827","","","0.71073","MoKα","","0.083","0.042","","0.112","","0.127","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010904","6.802","0.0011","6.066","0.002","7.804","0.0013","90","","112.61","0.011","90","","297.25","0.12","125","","125","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","picolinic acid N-oxide","2-carboxypyridine-N-oxide'","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","0.5","DE1129","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","5","577","579","10.1107/S0108270100001475","","","0.71073","MoKα","","0.0405","0.0344","","","","0.0955","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010905","3.821","0.003","16.2406","0.001","13.062","0.003","90","","91.01","0.01","90","","810.4","0.7","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","quinaldic acid N-oxide","2-carboxyquinoline-N-oxide","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","DE1129","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","5","577","579","10.1107/S0108270100001475","","","0.71073","MoKα","","0.063","0.0439","","","","0.1148","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010906","14.518","0.009","13.701","0.007","23.924","0.004","90","","106.59","0.04","90","","4561","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H38 N Ti -","- C25 H38 N Ti -","- C200 H304 N8 Ti8 -","8","1","FG1577","Ellis, Dianne D.; Spek, Anthony L.","[η^5^,σ-3,3-Dimethyl-1-(2,3,4,5-tetramethylcyclopentadienyl)but-1-en-2-amino](η^5^-pentamethylcyclopentadienyl)titanium","Acta Crystallographica Section C","2000","56","5","558","559","10.1107/S0108270100002158","","","0.71073","MoKα","","0.0995","0.0555","","","","0.1616","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010907","16.9096","0.0017","18.351","0.002","8.35","0.002","90","","90","","90","","2591.1","0.7","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H40 O8 -","- C28 H40 O8 -","- C112 H160 O32 -","4","0.5","FG1578","Ellis, Dianne D.; Spek, Anthony L.","1,3:16,18-Bis(xylyl)-30-crown-8","Acta Crystallographica Section C","2000","56","5","596","597","10.1107/S010827010000250X","","","0.71073","MoKα(Zr-filtered)","","0.0584","0.0429","","","","0.1093","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010908","11.327","0.001","7.054","0.001","12.381","0.001","90","","90","","90","","989.25","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","selenitotetrammine cobaltate(III) nitrate, monohydrate","","- Co H14 N5 O7 Se -","- Co H14 N5 O7 Se -","- Co4 H56 N20 O28 Se4 -","4","0.5","FR1235","Emara, A. A. A.; Krause Bauer, Jeanette A.; Galal, A.","Tetraammine(selenito-<i>O</i>,<i>O</i>')cobaltate(III) nitrate monohydrate","Acta Crystallographica Section C","2000","56","5","515","517","10.1107/S010827010000127X","","","0.71073","MoKα","","0.0369","0.0295","","","","0.0645","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010909","23.12","0.02","12.566","0.009","19.142","0.01","90","","93.32","0.07","90","","5552","7","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Z)-N-(Bromomagnesio)-1-(2-naphthylmethoxy)propan-2-imine","","- C58 H76 Br2 Mg2 N2 O6 -","- C58 H76 Br2 Mg2 N2 O6 -","- C232 H304 Br8 Mg8 N8 O24 -","4","0.5","FR1246","Charette, André B.; Gagnon, Alexandre; Bélanger-Gariépy, Francine","(<i>Z</i>)-Bis{μ-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium] ditoluene solvate","Acta Crystallographica Section C","2000","56","5","538","540","10.1107/S0108270100001281","","","1.54056","CuKα","","0.1056","0.043","","0.0891","","0.0765","","","0.777","","","0.981","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010910","10.5873","0.0004","17.583","0.0007","18.0564","0.0007","90","","93.303","0.001","90","","3355.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Fe P2 Pd S2 -","- C34 H46 Fe P2 Pd S2 -","- C136 H184 Fe4 P8 Pd4 S8 -","4","1","FR1253","Ilia A. Guzei; Letladi L. Maisela; James Darkwa","[Ferrocene-1,1'-diylbis(diisopropylphosphine-<i>P</i>)]bis(phenylthio)palladium(II)","Acta Crystallographica Section C","2000","56","5","564","565","10.1107/S0108270100000172","","","0.71073","MoKα","","0.0448","0.028","","","","0.0519","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010911","6.2605","0.0007","12.0422","0.0008","18.193","0.002","105.689","0.007","95.477","0.009","95.672","0.007","1303.3","0.2","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","2","FR1259","Luck, Rudy L.; Mendenhall, G. David","2,4,4-Trimethyl-2-phenyl-3-pentanone oxime","Acta Crystallographica Section C","2000","56","5","602","603","10.1107/S0108270100002754","","","0.71069","MoKα","","","0.038","","","","0.105","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010912","5.9384","0.0004","12.3808","0.0009","17.2097","0.0014","90","","90","","90","","1265.29","0.16","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.047","0.029","","","","0.076","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010913","5.8767","0.0006","9.9036","0.0013","10.4818","0.0015","103.332","0.013","99.759","0.011","89.792","0.011","584.62","0.13","294","1","294","1","","","","","","","","4","P 1","P 1","1","","(2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","2","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.06","0.048","","","","0.112","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010914","9.101","0.001","6.073","0.001","10.312","0.001","90","","106.28","0.01","90","","547.09","0.12","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-méthyl succinimide","","- C5 H7 N O2 -","- C5 H7 N O2 -","- C20 H28 N4 O8 -","4","1","GS1047","Tenon, J.A.; Carles, M.; Aycard, J.P.","<i>N</i>-Méthyl succinimide","Acta Crystallographica Section C","2000","56","5","568","569","10.1107/S0108270199016170","","","0.71073","Mo-Kα","","0.068","0.042","","","","0.053","","","","","","1.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010915","7.2516","0.0007","10.723","0.003","12.142","0.006","90","","115.8","0.01","90","","850","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tétradihydrogénophosphate de cobalt et de sodium tétrahydrate","","- Co H16 Na2 O20 P4 -","- Co H16 Na2 O20 P4 -","- Co2 H32 Na4 O40 P8 -","2","0.5","GS1053","Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed","Na~2~Co(H~2~PO~4~)~4~·4H~2~O","Acta Crystallographica Section C","2000","56","5","511","512","10.1107/S0108270199015279","","","0.71069","MoKα","","0.021","0.02","","0.057","","0.056","","","1.171","","","1.186","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010916","9.323","0.005","18.038","0.005","10.968","0.005","90","","106.57","0.005","90","","1767.9","1.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (1S,2S,3R,4R)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo [2.2.1]heptane-2-carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.04","","","","0.093","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010917","7.187","0.005","11.72","0.005","20.258","0.005","90","","90","","90","","1706.4","1.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1R,2S,3R,4S)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo[2.2.1]heptane-2- carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.029","","","","0.07","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010918","7.499","0.001","9.114","0.002","16.717","0.002","86.06","0.02","88.61","0.01","76.73","0.02","1109.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5-nitro-2-thiofuranilide","N-phenyl-5-nitro-2-thiofuramide","","- C11 H8 N2 O3 S -","- C11 H8 N2 O3 S -","- C44 H32 N8 O12 S4 -","4","2","JZ1378","Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir","5-Nitro-<i>N</i>-phenyl-2-thiofuramide","Acta Crystallographica Section C","2000","56","5","604","606","10.1107/S0108270100002882","","","0.71073","MoKα","","0.0947","0.0452","","","","0.1304","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010919","7.1766","0.0001","7.8911","0.0001","13.7036","0.0001","90","","90","","90","","776.052","0.016","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Si -","- C12 H14 Cl4 N2 Si -","- C24 H28 Cl8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0216","0.0202","","","","0.0579","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010920","7.177","0.001","7.962","0.001","13.557","0.001","90","","90","","90","","774.69","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br Cl3 N2 Si -","- C12 H14 Br Cl3 N2 Si -","- C24 H28 Br2 Cl6 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0542","0.0402","","","","0.1114","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010921","7.252","0.002","8.12","0.002","13.54","0.003","90","","90","","90","","797.3","0.3","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br2 Cl2 N2 Si -","- C12 H14 Br2 Cl2 N2 Si -","- C24 H28 Br4 Cl4 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0352","0.0272","","","","0.0634","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010922","7.296","0.001","8.211","0.001","13.472","0.001","90","","90","","90","","807.07","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br3 Cl N2 Si -","- C12 H14 Br3 Cl N2 Si -","- C24 H28 Br6 Cl2 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0343","0.0235","","","","0.0521","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010923","7.3298","0.0002","8.2819","0.0003","13.4126","0.0003","90","","90","","90","","814.21","0.04","143","2","143","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 N2 Si -","- C12 H14 Br4 N2 Si -","- C24 H28 Br8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0405","0.0277","","","","0.0653","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010924","16.241","0.002","16.241","0.002","15.21","0.003","90","","90","","90","","4011.9","1.1","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H29 Cl5 I6 N4 Si -","- C25 H29 Cl5 I6 N4 Si -","- C100 H116 Cl20 I24 N16 Si4 -","4","0.25","LN1099","Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael","<i>trans</i>-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate","Acta Crystallographica Section C","2000","56","5","614","615","10.1107/S0108270100002791","","","0.71073","MoKα","","0.0549","0.0412","","","","0.0962","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010925","22.934","0.005","13.481","0.003","24.904","0.005","90","","115.65","0.03","90","","6941","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridyl)nickel(II) thiosulfate heptahydrate","","- C30 H38 N6 Ni O10 S2 -","- C30 H32 N6 Ni O10.007 S2 -","- C240 H256 N48 Ni8 O80.056 S16 -","8","1","NA1452","Eleonora Freire; Sergio Baggio; Alvaro Mombru; Ricardo Baggio","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')nickel(II) thiosulfate heptahydrate","Acta Crystallographica Section C","2000","56","5","541","543","10.1107/S0108270100001414","","","0.71073","MoKα","","0.112","0.059","","","","0.209","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010926","7.471","0.001","13.988","0.001","15.739","0.002","90","","90","","90","","1644.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2',3'-didehydro-2',3'-O-dideoxythymidine (D4T) 1-methylpyrrolidone (NMPO) solvate","1-(2',3'-dideoxy-β-D-glycero-pent-2-enofuranosyl)thimine 1-methylpyrrolidone","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","NA1454","Viterbo, Davide; Milanesio, Marco; Pomés Hernández, Ramón; Rodríguez Tanty, Chryslaine; Colás González, Ivan; Sablón Carrazana, Marquiza; Duque Rodríguez, Julio","2',3'-Didehydro-3'-deoxythymidine <i>N</i>-methyl-2-pyrrolidone solvate (D4T·NMPO)","Acta Crystallographica Section C","2000","56","5","580","581","10.1107/S0108270100001451","","","0.71069","MoKα","","0.0992","0.0584","","","","0.1553","","","","","","0.998","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010927","6.894","0.001","10.675","0.001","11.878","0.002","73.19","0.01","79.75","0.01","84.91","0.01","822.8","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Bis(vanillin thiosemicarbazonato)nickel(II) ethanol solvate","","- C26 H44 N6 Ni O8 S2 -","- C26 H44 N6 Ni O8 S2 -","- C26 H44 N6 Ni O8 S2 -","1","0.5","OS1098","Akinchan, Narayan T.; Abram, Ulrich","Bis(4-hydroxy-3-methoxybenzaldehyde thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II) tetraethanol solvate","Acta Crystallographica Section C","2000","56","5","549","550","10.1107/S0108270100001657","","","1.54184","CuKα","","0.0531","0.0521","","","","0.1515","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010928","9.6424","0.0009","14.861","0.002","17.021","0.002","107.604","0.003","101.474","0.002","106.528","0.002","2117.6","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Fe2 N24 Ni3 O3 -","- C24 H54 Fe2 N24 Ni3 O3 -","- C48 H108 Fe4 N48 Ni6 O6 -","2","1","OS1101","Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen","Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)","Acta Crystallographica Section C","2000","56","5","551","553","10.1107/S0108270100001670","","","0.71073","MoKα","","","0.024","","","","0.033","","","","","","1.139","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010929","9.6303","0.0008","14.787","0.001","16.951","0.001","107.5","0.002","101.464","0.002","106.652","0.002","2095.6","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Co2 N24 Ni3 O3 -","- C24 H54 Co2 N24 Ni3 O3 -","- C48 H108 Co4 N48 Ni6 O6 -","2","1","OS1101","Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen","Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)","Acta Crystallographica Section C","2000","56","5","551","553","10.1107/S0108270100001670","","","0.71073","MoKα","","","0.028","","","","0.04","","","","","","1.385","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010930","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.082","0.038","","0.031","","0.026","","","1.887","","","1.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010931","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","197","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.078","0.034","","0.029","","0.023","","","1.729","","","1.763","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010932","13.4623","0.0001","6.8484","0.0001","10.7075","0.0001","90","","90","","90","","987.18","0.019","183","1","183","1","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.096","0.043","","0.037","","0.03","","","1.879","","","1.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010933","11.384","0.001","10.202","0.001","14.942","0.002","90","","146.816","0.006","90","","949.8","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","QA0206","Keita, A.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.","2-Acetyl-4<i>H</i>-benzothiazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","5","e227","e227","10.1107/S0108270100005692","","","0.71073","MoKα","","0.035","0.032","","0.045","","0.045","","","1.178","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010934","6.7152","0.0003","10.1507","0.0005","15.5447","0.0009","90","","90","","90","","1059.59","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Azacyclopentylidene(pentacarbonyl)chromium(0)","","- C9 H7 Cr N O5 -","- C9 H7 Cr N O5 -","- C36 H28 Cr4 N4 O20 -","4","1","QA0221","Nieger, Martin; Haase, Wilm-Christian; Dötz, Karl Heinz","An N-unprotected Fischer pyrrolidinylidene complex","Acta Crystallographica Section C","2000","56","5","e174","e175","10.1107/S0108270100004479","","","0.71073","MoKα","","0.029","0.024","","","","0.057","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010935","11.2427","0.0002","13.3736","0.0002","12.4932","0.0002","90","","108.109","0.001","90","","1785.38","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis-{oxo[N,N'-2,2-dimethylpropane-1,3- diylbis(salicylideneiminato)]rhenium (V)}","","- C38 H40 N4 O7 Re2 -","- C38 H40 N4 O7 Re2 -","- C76 H80 N8 O14 Re4 -","2","0.5","QA0249","Huang, Wen-Tao; Lo, Jem-Mau; Yao, Hsueh-Hua; Liao, Fen-Ling","μ-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)}","Acta Crystallographica Section C","2000","56","5","e172","e173","10.1107/S0108270100004455","","","0.71073","MoKα","","0.058","0.038","","","","0.084","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010936","10.88","0.002","16.458","0.002","21.261","0.002","90","","90","","90","","3807.1","0.9","248","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyclohex-1-enecarbothioic acid benzyl-(4-methoxy-phenyl)-amide","","- C21 H23 N O S -","- C21 H23 N O S -","- C168 H184 N8 O8 S8 -","8","1","QA0251","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide","Acta Crystallographica Section C","2000","56","5","e221","e221","10.1107/S0108270100004467","","","1.54184","CuKα","","","0.062","","","","0.168","","","","","","1.24","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010937","13.278","0.002","11.34","0.003","15.94","0.002","90","","101.12","0.01","90","","2355.1","0.8","297","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C112 H88 N8 O12 V4 -","4","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.047","","","","0.133","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010938","17.671","0.006","21.635","0.007","12.565","0.004","90","","90","","90","","4804","3","297","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C224 H176 N16 O24 V8 -","8","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.055","","","","0.193","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010939","10.124","0.004","12.672","0.003","9.632","0.002","110.83","0.02","96.36","0.03","85.32","0.03","1146.6","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Mn N3 O2 -","- C28 H22 Mn N3 O2 -","- C56 H44 Mn2 N6 O4 -","2","1","QA0256","Iwamoto, Hirofumi; Tsuchimoto, Masanobu; Ohba, Shigeru","[1,2-Diphenyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato]nitridomanganese(V)","Acta Crystallographica Section C","2000","56","5","e187","e187","10.1107/S0108270100004492","","","0.71073","MoKα","","","0.033","","","","0.09","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010940","9.123","0.001","13.219","0.002","9.82","0.001","90","","112.17","0.06","90","","1096.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine)nickel(II) acetate","","- C16 H36 N2 Ni O10 -","- C16 H36 N2 Ni O10 -","- C32 H72 N4 Ni2 O20 -","2","0.5","QA0257","Krabbes, Ingmar; Seichter, Wilhelm; Gloe, Karsten","Bis(triethanolamine-<i>O</i>,<i>O</i>')nickel(II) diacetate","Acta Crystallographica Section C","2000","56","5","e178","e178","10.1107/S0108270100004819","","","0.71073","MoKα","","0.037","0.03","","0.082","","0.077","","","0.983","","","0.996","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00",""
"2010941","21.957","0.004","20.518","0.002","7.522","0.001","90","","90","","90","","3388.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N'-(4-(1,1-dimethylpropyl)-benzylidene)-2-pyridinecarboxamidrazone","","- C18 H22 N4 -","- C18 H22 N4 -","- C144 H176 N32 -","8","1","QA0258","Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H.","A new amidrazone derivative with antimycobacterial activity","Acta Crystallographica Section C","2000","56","5","e211","e212","10.1107/S0108270100004807","","","1.5418","CuKα","","0.153","0.072","","","","0.231","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010942","12.812","0.011","7.185","0.007","17.835","0.015","90","","99.61","0.07","90","","1619","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-Dipyridylaminepentacarbonyltungsten(0)","","- C15 H9 N3 O5 W -","- C15 H9 N3 O5 W -","- C60 H36 N12 O20 W4 -","4","1","QA0259","Creaven, Bernadette S.; Howie, R. Alan; Long, Conor","Pentacarbonyl(di-2-pyridylamine)tungsten(0)","Acta Crystallographica Section C","2000","56","5","e181","e182","10.1107/S0108270100004728","","","0.71073","MoKα","","0.063","0.037","","","","0.082","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010943","14.0672","0.0013","12.692","0.001","15.5238","0.0017","90","","92.972","0.009","90","","2767.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Cl N O -","- C35 H26 Cl N O -","- C140 H104 Cl4 N4 O4 -","4","1","QA0260","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Durlu, Tahsin Nuri","<i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(β-phenylstyryl)azetidin-2-one","Acta Crystallographica Section C","2000","56","5","e207","e208","10.1107/S0108270100004546","","","0.71069","MoKα","","0.117","0.048","","","","0.165","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010944","8.949","0.011","14.302","0.016","17.53","0.016","94.89","0.08","83.79","0.08","96.24","0.09","2211","4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","p-Nitrobenzoato-triphenyl-tin","","- C25 H19 N O4 Sn -","- C25 H19 N O4 Sn -","- C100 H76 N4 O16 Sn4 -","4","2","QA0261","Howie, R. Alan; Wardell, James L.; Wardell, Solange M.S.V.; Cox, Philip J.","(<i>p</i>-Nitrobenzoato)triphenyltin at 298K","Acta Crystallographica Section C","2000","56","5","e179","e180","10.1107/S0108270100004510","","","0.71073","MoKα","","0.07","0.038","","","","0.088","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010945","32.529","0.004","11.877","0.005","18.909","0.007","90","","121.01","0.01","90","","6261","4","297","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N2 O3 V -","- C36 H38 N2 O3 V -","- C288 H304 N16 O24 V8 -","8","1","QA0262","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>exo</i>-[<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butylsalicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e190","e190","10.1107/S0108270100004534","","","0.71073","MoKα","","","0.061","","","","0.219","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010946","11.172","0.001","9.337","0.001","15.634","0.001","90","","94.1","0.01","90","","1626.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","QA0263","Filali Baba, Bouchra; Kerbal, Abdelali; Bitit, Najib; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael","Methyl 3-<i>para</i>-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate","Acta Crystallographica Section C","2000","56","5","e205","e206","10.1107/S0108270100004522","","","0.71073","MoKα","","0.053","0.04","","","","0.105","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010947","15.408","0.001","10.256","0.001","19.402","0.001","90","","107.91","0.01","90","","2917.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","1","QA0264","Camí, Gerardo; Server-Carrió, Juan; Fustero, Santos; Pedregosa, José","A novel heterocyclic sulfonamide: <i>N</i>-benzyl-5-[<i>N</i>-benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)amino]-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide","Acta Crystallographica Section C","2000","56","5","e209","e210","10.1107/S0108270100004741","","","0.7107","MoKα","","0.092","0.049","","","","0.156","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010948","15.942","0.001","6.3738","0.0004","20.895","0.002","90","","111.129","0.007","90","","1980.4","0.3","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl3 O2 S2 Sn -","- C15 H17 Cl3 O2 S2 Sn -","- C60 H68 Cl12 O8 S8 Sn4 -","4","1","QA0265","Gambardella, Maria Teresa do Prado; Francisco, Regina Helena Porto; Rodrigues, Ana Maria G. Dias; de Sousa, Gerimário Freitas","<i>catena</i>-Poly[<i>fac</i>-trichloromethyltin(IV)-μ-[<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']]","Acta Crystallographica Section C","2000","56","5","e176","e177","10.1107/S010827010000473X","","","0.71073","MoKα","","0.068","0.031","","","","0.087","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010949","8.2971","0.0011","9.4297","0.0014","9.648","0.0013","68.794","0.012","67.62","0.009","67.565","0.01","624.14","0.16","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","(1R^*^,2R^*^)-1,2-o-(2',3'-dimethoxybutane-2',3'-diyl)-cyclohexane","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","1","QA0268","Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard","(1<i>R</i>*,2<i>R</i>*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane","Acta Crystallographica Section C","2000","56","5","e218","e218","10.1107/S0108270100005485","","","0.71073","MoKα","","0.045","0.039","","","","0.112","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010950","10.661","0.002","11.852","0.002","13.501","0.003","76.85","0.03","81.35","0.03","72.12","0.03","1575","0.6","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O4 S -","- C14 H20 N2 O4 S -","- C56 H80 N8 O16 S4 -","4","2","QA0270","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara","<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate","Acta Crystallographica Section C","2000","56","5","e224","e226","10.1107/S0108270100005667","","","0.71073","MoKα","","","0.039","","","","0.123","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010951","15.521","0.003","6.827","0.001","13.574","0.003","90","","100.06","0.03","90","","1416.2","0.5","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O3 S2 -","- C12 H14 N2 O3 S2 -","- C48 H56 N8 O12 S8 -","4","1","QA0270","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara","<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate","Acta Crystallographica Section C","2000","56","5","e224","e226","10.1107/S0108270100005667","","","0.71073","MoKα","","","0.039","","","","0.122","","","","","","0.807","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010952","9.681","0.002","18.474","0.002","15.786","0.002","90","","95.27","0.01","90","","2811.3","0.7","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O8 V -","- C31 H26 N2 O8 V -","- C124 H104 N8 O32 V4 -","4","1","QA0271","Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate","Acta Crystallographica Section C","2000","56","5","e199","e200","10.1107/S0108270100005679","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.309","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010953","10.508","0.003","11.728","0.002","9.726","0.002","107.66","0.02","96.21","0.02","100.45","0.02","1106","0.5","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O8 V -","- C22 H24 N2 O8 V -","- C44 H48 N4 O16 V2 -","2","1","QA0271","Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate","Acta Crystallographica Section C","2000","56","5","e199","e200","10.1107/S0108270100005679","","","0.71073","MoKα","","","0.039","","","","0.116","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010954","12.083","0.003","14.234","0.004","12.05","0.002","93.19","0.02","109.53","0.01","111.55","0.02","1778.7","0.8","295","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Fe N8 O3 S2 -","- C38 H24 Fe N8 O3 S2 -","- C76 H48 Fe2 N16 O6 S4 -","2","1","QA0272","Hoshina, Gakuse; Ohba, Shigeru; Tsuchiya, Naoko; Isobe, Tetsuhiko; Senna, Mamoru","Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')iron(II) dithiocyanate trihydrate","Acta Crystallographica Section C","2000","56","5","e191","e192","10.1107/S0108270100005539","","","0.71073","MoKα","","","0.062","","","","0.201","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010955","7.453","0.005","14.911","0.005","11.458","0.005","90","","107.75","0.04","90","","1212.7","1.1","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Cu2 N4 O8 -","- C22 H24 Cu2 N4 O8 -","- C44 H48 Cu4 N8 O16 -","2","0.5","QA0273","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","5","e193","e193","10.1107/S0108270100005540","","","0.71073","MoKα","","","0.041","","","","0.148","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010956","11.99","0.004","12.988","0.004","11.296","0.005","106.52","0.03","94.31","0.03","90.79","0.03","1680.6","1.1","298","","","","","","","","","","","6","P -1","-P 1","2","","μ-acetato-O:O'-bis({2,2'[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato}- manganese(III)) perchlorate","","- C34 H31 Cl Mn2 N4 O10 -","- C34 H31 Cl Mn2 N4 O10 -","- C68 H62 Cl2 Mn4 N8 O20 -","2","1","QA0274","Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo","μ-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate","Acta Crystallographica Section C","2000","56","5","e194","e194","10.1107/S0108270100005552","","","0.71073","MoKα","","","0.039","","","","0.106","","","","","","1.37","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010957","13.799","0.002","14.488","0.002","12.608","0.002","99.33","0.01","111.86","0.01","113.14","0.01","2005.7","0.6","300","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl4 Cu2 N6 O4.5 -","- C38 H39 Cl4 Cu2 N6 O4.5 -","- C76 H78 Cl8 Cu4 N12 O9 -","2","1","QA0276","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","μ-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-κ^3^<i>N</i>]chlorocopper(II)} perchlorate hemihydrate","Acta Crystallographica Section C","2000","56","5","e195","e195","10.1107/S0108270100005564","","","0.71073","MoKα","","","0.04","","","","0.141","","","","","","1.02","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2010958","11.38","0.001","9.877","0.002","17.4","0.002","90","","104.79","0.01","90","","1891","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl2 Cu2 N6 O10 -","- C38 H36 Cl2 Cu2 N6 O10 -","- C76 H72 Cl4 Cu4 N12 O20 -","2","0.5","QA0277","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate","Acta Crystallographica Section C","2000","56","5","e201","e201","10.1107/S0108270100005680","","","0.71073","MoKα","","","0.063","","","","0.185","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010959","13.064","0.003","13.347","0.004","14.077","0.003","90","","101.52","0.02","90","","2405.1","1.1","296","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Cu F6 N4 O P -","- C21 H22 Cl Cu F6 N4 O P -","- C84 H88 Cl4 Cu4 F24 N16 O4 P4 -","4","1","QA0278","Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo","[<i>N</i>'-Benzoyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylenediamine-κ<i>N</i>]chlorocopper(II) hexafluorophosphate","Acta Crystallographica Section C","2000","56","5","e196","e196","10.1107/S0108270100005576","","","0.71073","MoKα","","","0.065","","","","0.196","","","","","","1.38","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010960","11.044","0.002","11.085","0.001","15.858","0.001","90","","95.1","0.009","90","","1933.7","0.4","299","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 Cu N4 O4 -","- C16 H22 Cl2 Cu N4 O4 -","- C64 H88 Cl8 Cu4 N16 O16 -","4","1","QA0279","Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo","[1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate","Acta Crystallographica Section C","2000","56","5","e197","e197","10.1107/S0108270100005588","","","0.71073","MoKα","","","0.049","","","","0.122","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010961","12.513","0.002","14.613","0.002","12.569","0.002","90","","109.34","0.01","90","","2168.6","0.6","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Cu N4 O4 -","- C18 H26 Cl2 Cu N4 O4 -","- C72 H104 Cl8 Cu4 N16 O16 -","4","1","QA0280","Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo","Chloro[<i>N</i>',<i>N</i>'-diethyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)ethylenediamine-κ^4^<i>N</i>]copper(II) perchlorate","Acta Crystallographica Section C","2000","56","5","e198","e198","10.1107/S010827010000559X","","","0.71073","MoKα","","","0.064","","","","0.161","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010962","18.06","0.003","23.477","0.003","5.736","0.002","90","","90","","90","","2432","1","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","1","QA0281","Kani, Yoshiyuki; Ohba, Shigeru; Amano, Seiji; Ogawa, Noriko; Ohtsuka, Masami; Chida, Noritaka","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-2,3-Dimethyloxiran-2-yl]-3,4-bis(4-methoxybenzyloxy)cyclohexanol","Acta Crystallographica Section C","2000","56","5","e222","e222","10.1107/S0108270100005606","","","0.71073","MoKα","","","0.073","","","","0.221","","","","","","1.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010963","14.381","0.002","14.381","0.002","12.265","0.002","90","","90","","90","","2536.6","0.6","296","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C23 H29 N O11 -","- C23 H29 N O11 -","- C92 H116 N4 O44 -","4","1","QA0282","Kani, Yoshiyuki; Ohba, Shigeru; Oishi, Takeshi; Ando, Koji; Inomiya, Kenjin; Chida, Noritaka","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate","Acta Crystallographica Section C","2000","56","5","e223","e223","10.1107/S0108270100005618","","","0.71073","MoKα","","","0.047","","","","0.116","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010964","8.0114","0.0004","9.8149","0.0007","10.2505","0.0008","107.919","0.002","106.039","0.004","91.831","0.004","731","0.09","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C32 H52 O4 -","2","1","QB0191","Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(1<i>R</i>*,11<i>R</i>*)-Bicyclo[9.4.1]hexadecane-12,16-dione","Acta Crystallographica Section C","2000","56","5","e215","e215","10.1107/S010827010000528X","","","0.71073","MoKα","","0.089","0.04","","","","0.098","","","","","","0.922","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010965","10.675","0.002","11.083","0.002","15.195","0.003","90","","108.19","0.03","90","","1707.9","0.6","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetonylpyridine) pyridinium hexaiodo-bismuth(III)","","- C21 H26 Bi I6 N3 O2 -","- C22.18 H26 Bi I6 N2 O2 -","- C44.36 H52 Bi2 I12 N4 O4 -","2","0.5","QB0197","Peng, Ying; Lu, Shaofang; Wu, Daxu; Wu, Qiangjin; Huang, Jianquan","Bis(1-acetonylpyridinium) pyridinium hexaiodobismuth(III)","Acta Crystallographica Section C","2000","56","5","e183","e184","10.1107/S0108270100005230","","","0.71069","MoKα","","","0.036","","","","0.091","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010966","7.201","0.002","10.348","0.002","7.19","0.002","95.59","0.02","92.95","0.02","98.47","0.02","526.2","0.2","303","","303","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C16 H18 Cl4 N2 O8 -","2","1","QB0198","Ishida, Hiroyuki; Kashino, Setsuo","Ethylammonium and diethylammonium salts of chloranilic acid","Acta Crystallographica Section C","2000","56","5","e202","e204","10.1107/S0108270100004480","","","0.71073","MoKα","","0.058","0.042","","0.058","","0.05","","","1.29","","","1.29","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010967","9.159","0.003","9.617","0.002","8.979","0.003","108.17","0.02","111.27","0.03","103.78","0.02","642.8","0.4","302","","302","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl2 N O4 -","- C10 H13 Cl2 N O4 -","- C20 H26 Cl4 N2 O8 -","2","1","QB0198","Ishida, Hiroyuki; Kashino, Setsuo","Ethylammonium and diethylammonium salts of chloranilic acid","Acta Crystallographica Section C","2000","56","5","e202","e204","10.1107/S0108270100004480","","","0.71073","MoKα","","0.062","0.053","","0.099","","0.091","","","1.64","","","1.64","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010968","7.827","0.0004","12.7936","0.0008","17.3523","0.0012","90","","90","","90","","1737.58","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.094","0.046","","","","0.084","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010969","7.553","0.0002","12.9964","0.0006","17.78","0.0009","90","","90","","90","","1745.32","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.088","0.047","","","","0.09","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010970","7.6548","0.0015","10.436","0.002","17.543","0.004","90","","91.34","0.03","90","","1401","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N2-(4-Methoxyphenyl)-3-(2-pyrrolidinyliden)-1-chloro-1,1- -difluoro-2-propan imine","","- C14 H15 Cl F2 N2 O -","- C14 H15 Cl F2 N2 O -","- C56 H60 Cl4 F8 N8 O4 -","4","1","QB0204","Fustero, Santos; García de la Torre, Marta; Ramírez de Arellano, M. Carmen","1-Chloro-1,1-difluoro-<i>N</i>-(4-methoxyphenyl)-3-(pyrrolidin-2-ylidene)propan-2-imine","Acta Crystallographica Section C","2000","56","5","e213","e214","10.1107/S0108270100005217","","","0.71073","MoKα","","0.094","0.07","","","","0.208","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010971","10.3829","0.0007","14.0871","0.0012","14.9994","0.0014","90","","102.931","0.009","90","","2138.3","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cr H48 I Mo6 Na2 O48 -","- Cr I Mo6 Na2 O48 -","- Cr2 I2 Mo12 Na4 O96 -","2","0.5","QB0206","Rosu, Cristina; Weakley, Timothy J. R.","Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate, Na~2~Cr[IMo~6~O~24~]·24H~2~O","Acta Crystallographica Section C","2000","56","5","e170","e171","10.1107/S0108270100005229","","","0.71073","MoKα","","0.046","0.034","","0.095","","0.05","","","1.86","","","1.86","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010972","9.825","0.002","10.904","0.002","16.051","0.003","90","","101.44","0.03","90","","1685.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu2 N4 Se8 -","- C20 H40 Cu2 N4 Se8 -","- C40 H80 Cu4 N8 Se16 -","2","0.5","QB0207","Bao, Mutai; Weng, Jiabao; Su, Weiping; Cao, Rong; Hong, Maochun","Bis[bis(<i>N</i>,<i>N</i>-diethyl-1,1-diselenocarbamato)copper(II)], [Cu(Se~2~CNEt~2~)~2~]~2~","Acta Crystallographica Section C","2000","56","5","e185","e186","10.1107/S0108270100005503","","","0.71073","MoKα","","0.041","0.032","","","","0.086","","","","","","1.082","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2010973","6.719","0.001","10.029","0.002","25.615","0.005","90","","90.65","0.03","90","","1726","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(N,N-diethyl-1,1-diselenocarbamate)selenium","","- C10 H20 N2 Se5 -","- C10 H20 N2 Se5 -","- C40 H80 N8 Se20 -","4","1","QB0208","Bao, Mutai; Hong, Maochun; Su, Weiping; Cao, Rong","Bis(<i>N</i>,<i>N</i>-diethyl-1,1-diselenocarbamato-<i>Se</i>)selenium, [(Se~2~CNEt~2~)~2~Se]","Acta Crystallographica Section C","2000","56","5","e219","e220","10.1107/S0108270100005497","","","0.71073","MoKα","","0.067","0.048","","","","0.113","","","","","","0.996","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2010974","21.093","0.002","4.6905","0.0003","9.2544","0.0009","90","","101.323","0.003","90","","897.78","0.14","150","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","Zinc octanoate","poly[zinc(II)-bis(μ-octanoato-O:O')]","","- C16 H30 O4 Zn -","- C16 H30 O4 Zn -","- C32 H60 O8 Zn2 -","2","1","SK1351","Lacouture, Françoise; Peultier, Jerôme; Francois, Michel; Steinmetz, Jean","Anhydrous polymeric zinc(II) octanoate","Acta Crystallographica Section C","2000","56","5","556","557","10.1107/S0108270100001876","","","0.71073","MoKα","","0.088","0.058","","","","0.167","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010975","11.831","0.002","14.927","0.003","12.929","0.003","90","","98.63","0.03","90","","2257.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 I2 N4 Si -","- C20 H16 Cl2 I2 N4 Si -","- C80 H64 Cl8 I8 N16 Si4 -","4","1","SK1363","Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael","<i>cis</i>-Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')dichlorosilicon diiodide","Acta Crystallographica Section C","2000","56","5","607","609","10.1107/S0108270100001888","","","0.71073","MoKα","","0.0441","0.0289","","","","0.0597","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010976","15.125","0.0004","5.6702","0.0001","22.8781","0.0005","90","","95.3753","0.0013","90","","1953.44","0.08","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","asperuloside monohydrate","[2aS-(2aα,4aα,5α,7bα)]-5-(β-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b- tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-ylmethyl acetate monohydrate","","- C18 H24 O12 -","- C18 H24 O12 -","- C72 H96 O48 -","4","1","SK1376","Linden, Anthony; Çalis, Ihsan; Neuburger, Markus; Sticher, Otto","Asperuloside monohydrate","Acta Crystallographica Section C","2000","56","5","616","618","10.1107/S0108270100003292","","","0.71073","MoKα","","0.061","0.041","","","","0.101","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010977","13.378","0.002","13.378","0.002","18.803","0.006","90","","90","","90","","3365.2","1.3","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","SX1081","Do Valle, N. T.; De Simone, C. A.; Pereira, M. A.; Goulart, M. O. F.","[1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6<i>H</i>-cyclopropa[3,4]cyclohept[1,2-<i>e</i>]inden-6-one","Acta Crystallographica Section C","2000","56","5","566","567","10.1107/S0108270199016108","","","0.71073","MoKα","","0.0711","0.0573","","","","0.1249","","","","","","1.157","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010978","9.502","0.001","10.286","0.001","11.289","0.001","87.76","0.01","77.48","0.01","69.85","0.01","1010.43","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O19 -","- C10 H24 Mn2 O19 -","- C20 H48 Mn4 O38 -","2","1","TA1268","Deping Cheng; Yueqing Zheng; Jianli Lin; Duanjun Xu; Yuanzhi Xu","A binuclear manganese(II) complex, decaaqua(μ-1,2,4,5-benzenetetracarboxylato-<i>O</i>^1^:<i>O</i>^4^)dimanganese(II) hydrate","Acta Crystallographica Section C","2000","56","5","523","524","10.1107/S0108270100000342","","","0.71073","MoKα","","0.0344","0.0298","","0.0864","0.0829","","","","1.029","1.06","1.06","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010979","15.169","0.01","25.197","0.008","11.638","0.006","90","","90","","90","","4448","4","296.2","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-(4-Amino-2,2,6,6-tetramethylpiperidine-N^4^)bis(pentane-2,4-dionato-O,O') (triphenylphosphine-P)cobalt(III) hexafluorophosphate dichloromethane solvate","","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C152 H204 Cl8 Co4 F24 N8 O16 P8 -","4","1","TA1277","Suzuki, Takayoshi; Ogita, Masahiro; Kaizaki, Sumio","<i>trans</i>-(4-Amino-2,2,6,6-tetramethylpiperidine-<i>N</i>^4^)bis(pentane-2,4-dionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)cobalt(III) hexafluorophosphate dichloromethane solvate","Acta Crystallographica Section C","2000","56","5","532","533","10.1107/S010827010000113X","","","0.7107","MoKα","","","0.051","","","","0.193","","","","","","0.969","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010980","12.2683","0.001","15.0622","0.0017","18.2824","0.0017","81.818","0.009","71.05","0.007","85.001","0.009","3159.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dipotassium di-μ-oxo-bis[aqua(oxalato-O^1^,O^2^)oxomolybdenum(III)] trihydrate","","- C4 H10 K2 Mo2 O17 -","- C4 H10 K2 Mo2 O17 -","- C32 H80 K16 Mo16 O136 -","8","4","AV1030","Strukan, Neven; Cindrić, Marina; Kamenar, Boris","K~2~[Mo~2~O~4~(C~2~O~4~)~2~(H~2~O)~2~]·3H~2~O","Acta Crystallographica Section C","2000","56","6","639","641","10.1107/S0108270100002547","","","0.71069","MoKα","","0.165","0.049","","0.142","","0.106","","","0.934","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010981","13.58","0.005","9.488","0.002","20.266","0.007","90","","99.73","0.03","90","","2573.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-nitrosomelatonin","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","1","BK1515","Turjanski, Adrián; Chaia, Zulema Débora; Doctorovich, Fabio; Estrin, Dario; Rosenstein, Ruth; Piro, Oscar E.","<i>N</i>-Nitrosomelatonin","Acta Crystallographica Section C","2000","56","6","682","683","10.1107/S010827010000456X","","","0.71073","MoKα","","0.082","0.042","","0.151","","0.109","","","1.08","","","1.01","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010982","6.6363","0.0013","8.1836","0.0016","10.468","0.002","70.68","0.03","88.01","0.03","80.77","0.03","529.4","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-(1,3-dithian-2-yl)benzaldehyde","","- C11 H12 O S2 -","- C11 H12 O S2 -","- C22 H24 O2 S4 -","2","1","BK1516","Jene, Paul G.; Ibers, James A.","2-(1,3-Dithian-2-yl)benzaldehyde and <i>N</i>-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","Acta Crystallographica Section C","2000","56","6","705","707","10.1107/S010827010000353X","","","0.71073","MoKα","","0.041","0.039","","","","0.112","","","","","","2.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010983","6.02","0.0004","15.0289","0.0011","18.966","0.0013","90","","94.841","0.001","90","","1709.8","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","BK1516","Jene, Paul G.; Ibers, James A.","2-(1,3-Dithian-2-yl)benzaldehyde and <i>N</i>-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","Acta Crystallographica Section C","2000","56","6","705","707","10.1107/S010827010000353X","","","0.71073","MoKα","","0.096","0.05","","","","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010984","10.97","0.002","8.986","0.002","20.881","0.004","90","","103.66","0.03","90","","2000.2","0.7","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","1","BM1405","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.","2-(2-Pyridylimino)-2<i>H</i>-1,2,4-thiadiazolo[2,3-<i>a</i>]pyridine","Acta Crystallographica Section C","2000","56","6","687","688","10.1107/S0108270100003152","","","0.71073","MoKα","","","0.0274","","","","0.0645","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010985","6.297","0.004","4.951","0.003","12.751","0.006","90","","91.65","0.06","90","","397.4","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Lithium Rubidium Gallium Borate","","","- B3 Ga2 Li2 O9 Rb -","- B3 Ga2 Li2 O9 Rb -","- B6 Ga4 Li4 O18 Rb2 -","2","0.5","BR1279","Judith L. Kissick; Douglas A. Keszler","RbLi~2~Ga~2~(BO~3~)~3~","Acta Crystallographica Section C","2000","56","6","631","632","10.1107/S0108270100004078","","","0.71069","MoKα","","0.0414","0.026","","","","0.0724","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010986","16.05","0.003","3.9375","0.0008","7.0309","0.0014","90","","90","","90","","444.33","0.15","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O Se2 -","- Gd2 O Se2 -","- Gd8 O4 Se8 -","4","0.5","BR1282","Tougait, Olivier; Ibers, James A.","Gd~2~OSe~2~","Acta Crystallographica Section C","2000","56","6","623","624","10.1107/S0108270100003024","","","0.71073","MoKα","","0.0256","0.0235","","","","0.0588","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010987","7.0725","0.0005","8.4187","0.0007","14.2273","0.0011","90","","90","","90","","847.11","0.11","300","","300","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- La2 O9 Se3 -","- La2 O9 Se3 -","- La8 O36 Se12 -","4","0.5","BR1284","Harrison, William T. A.","Lanthanum selenite, La~2~(SeO~3~)~3~","Acta Crystallographica Section C","2000","56","6","627","628","10.1107/S0108270100003164","","","0.71073","MoKα","","","0.026","","","","0.029","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010988","7.7247","0.0006","10.2237","0.0007","8.3429","0.0006","90","","104.788","0.001","90","","637.06","0.08","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cesium titanium pyrophosphate","","- Cs O7 P2 Ti -","- Cs O7 P2 Ti -","- Cs4 O28 P8 Ti4 -","4","1","BR1285","Huang, Fu Qiang; Ibers, James A.","CsTiP~2~O~7~","Acta Crystallographica Section C","2000","56","6","625","626","10.1107/S0108270100003036","","","0.71073","MoKα","","0.0235","0.0234","","","","0.0682","","","","","","1.417","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010989","13.9497","0.0013","14.7055","0.0015","14.049","0.002","90","","109.43","0.008","90","","2717.8","0.6","163","","163","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^6^-hexamethylbenzene)bis(trifluoromethanesulfonato-O) (2,4,6-trimethylaniline-N)ruthenium(II)","","- C23 H31 F6 N O6 Ru S2 -","- C23 H31 F6 N O6 Ru S2 -","- C92 H124 F24 N4 O24 Ru4 S8 -","4","1","DA1103","Feher, Frank J.; Baldwin, Richard K.; Ziller, Joseph W.","(η^6^-Hexamethylbenzene)(mesidine)ditriflatoruthenium(II)","Acta Crystallographica Section C","2000","56","6","633","634","10.1107/S0108270100001001","","","0.71073","MoKα","","0.045","0.03","","","","0.07","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010990","5.1886","0.0006","7.8583","0.001","8.6621","0.001","90","","104.977","0.008","90","","341.19","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Polymeric bis(glycolato)cobalt(II)","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C8 H12 Co2 O12 -","2","0.5","DA1106","Medina, Gerardo; Gasque, Laura; Bernès, Sylvain","Polymeric bis(glycolato)cobalt(II)","Acta Crystallographica Section C","2000","56","6","637","638","10.1107/S010827010000161X","","","0.71073","MoKα","","0.024","0.02","","","","0.053","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010991","8.3856","0.0004","9.727","0.0004","11.186","0.0005","69.274","0.003","68.037","0.003","70.933","0.003","771.31","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl E-2-Cyano-3-(8-dimethylaminonaphth-1-yl)propenoate","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","FG1575","Paul C. Bell; Marie Drameh; Nicola Hanley; John D. Wallis","Interaction between a dimethylamino group and an electron-deficient alkene in ethyl (<i>E</i>)-2-cyano-3-(8-dimethylamino-1-naphthyl)propenoate","Acta Crystallographica Section C","2000","56","6","670","671","10.1107/S0108270100000512","","","0.71069","MoKa","","0.068","0.053","","0.1575","0.1435","","","","1.064","1.115","1.115","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010992","13.0339","0.0017","7.375","0.001","7.4672","0.001","90","","91.923","0.002","90","","717.38","0.17","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipotassium dichromate","dipotassium dichromate","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","0.5","FG1580","Krivovichev, Sergey V.; Kir'yanova, Elena V.; Filatov, Stanislav K.; Burns, Peter C.","β-K~2~Cr~2~O~7~","Acta Crystallographica Section C","2000","56","6","629","630","10.1107/S0108270100003917","","","0.71073","MoKα","","0.032","0.029","","","","0.084","","","","","","1.107","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2010993","6.7397","0.0002","7.7777","0.0003","8.5184","0.0003","78.5397","0.0014","85.6376","0.0019","71.8947","0.0018","415.91","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.064","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010994","6.7451","0.0002","7.7855","0.0003","8.5197","0.0003","78.5651","0.0014","85.6151","0.0019","71.8678","0.0019","416.69","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.064","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010995","6.7703","0.0002","7.8135","0.0002","8.5263","0.0002","78.7105","0.0012","85.553","0.0016","71.7958","0.0014","420.11","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.065","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010996","8.7242","0.0003","8.7242","0.0003","37.102","0.003","90","","90","","120","","2445.6","0.2","295","2","295","2","","","","","","","","6","P 65","P 65","170","","diaqua(1,7-dioxa-4-thia-10-azacyclododecane)nickel(II) nitrate","","- C8 H21 N3 Ni O10 S -","- C8 H21 N3 Ni O10 S -","- C48 H126 N18 Ni6 O60 S6 -","6","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0504","0.0321","","","","0.0777","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010997","8.245","0.003","11.927","0.002","14.272","0.005","90","","96.6","0.02","90","","1394.2","0.7","275","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(nitrato)(1,4,7-trioxa-10-azacyclododecane)mercury(II)","","- C8 H17 Hg N3 O9 -","- C8 H17 Hg N3 O9 -","- C32 H68 Hg4 N12 O36 -","4","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0416","0.0329","","","","0.0873","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010998","8.6167","0.0009","9.3975","0.0008","10.118","0.001","95.627","0.008","112.107","0.009","99.509","0.009","737.05","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","aqua(1,7-dioxa-4-thia-10-azacyclododecane)nitratocopper(II) nitrate","","- C8 H21 Cu N5 O8 -","- C8 H21 Cu N5 O8 -","- C16 H42 Cu2 N10 O16 -","2","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0275","0.0243","","","","0.0677","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010999","12.1506","0.0007","15.404","0.0009","15.5477","0.0009","90","","109.199","0.001","90","","2748.2","0.3","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B F15 Zr -","- C30 H16 B F15 Zr -","- C120 H64 B4 F60 Zr4 -","4","1","FR1249","Guzei, Ilia A.; Stockland Jr, Robert A.; Jordan, Richard F.","The bis(η^5^-cyclopentadienyl)methylzirconium(IV) methyltris(pentafluorophenyl)borate ion pair","Acta Crystallographica Section C","2000","56","6","635","636","10.1107/S0108270100001293","","","0.71073","MoKα","","0.0396","0.027","","","","0.068","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011000","16.942","0.001","5.932","0.002","17.265","0.001","90","","108.122","0.005","90","","1649.1","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","FR1261","Gerkin, Roger E.","(<i>E</i>)-2-Methyl-5-(1-naphthylmethyl)cinnamic acid","Acta Crystallographica Section C","2000","56","6","674","676","10.1107/S0108270100002778","","","0.71073","MoKα","","","0.057","","","","0.073","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011001","11.4104","0.0002","7.4078","0.0001","16.9198","0.0003","90","","107.473","0.001","90","","1364.17","0.04","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,2'-dimethoxybiphenyl-5,5'-dimethanol","2,2'-dimethoxybiphenyl-5,5'-dimethanol","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","FR1262","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2,2'-dimethoxybiphenyl-5,5'-dimethanol at 150K","Acta Crystallographica Section C","2000","56","6","677","678","10.1107/S0108270100002900","","","0.71073","MoKα","","","0.046","","","","0.099","","","","","","1.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011002","7.187","0.001","11.261","0.002","12.812","0.003","90","","90","","90","","1036.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","GD1082","Ejsmont, Krzysztof; Domański, Andrzej; Kyzioł, Janusz; Zaleski, Jacek","4-Hydroxy-<i>ONN</i>-azoxybenzene","Acta Crystallographica Section C","2000","56","6","697","699","10.1107/S0108270100003449","","","0.71073","MoKα","","0.1092","0.0337","","","","0.096","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011003","10.276","0.002","4.677","0.001","11.296","0.002","90","","92.22","0.02","90","","542.49","0.18","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis-(2,4-pentanedionato)cobalt(II)","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C20 H28 Co2 O8 -","2","0.5","GD1084","John Burgess; John Fawcett; David R. Russell; Syeda R. Gilani","Monomeric bis(2,4-pentanedionato)cobalt(II)","Acta Crystallographica Section C","2000","56","6","649","650","10.1107/S0108270100003176","","","0.71073","MoKα","","0.0626","0.0515","","","","0.1397","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011004","16.2046","0.0016","7.2974","0.0005","13.509","0.0014","90","","90","","90","","1597.5","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C7 H8 Hg Mn N4 O2 S4 -","- C7 H8 Hg Mn N4 O2 S4 -","- C28 H32 Hg4 Mn4 N16 O8 S16 -","4","1","GD1089","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Lu, Meng-Kai; Yuan, Duo-Rong; Lu, Guang-Tian","Manganese mercury thiocyanate (MMTC) glycol monomethyl ether","Acta Crystallographica Section C","2000","56","6","647","648","10.1107/S0108270100003188","","","0.71073","MoKα","","0.0518","0.0395","","","","0.1005","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011005","10.789","0.003","8.918","0.002","25.847","0.004","90","","91.79","0.02","90","","2485.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(12-hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O,O')cobalt(III) Chloride Perchlorate Monohydrate","","- C18 H39 Cl2 Co N4 O8 -","- C18 H39 Cl2 Co N4 O8 -","- C72 H156 Cl8 Co4 N16 O32 -","4","1","GD1092","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","(12-Hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>,<i>O</i>')cobalt(III) chloride perchlorate monohydrate","Acta Crystallographica Section C","2000","56","6","659","660","10.1107/S010827010000398X","","","0.71073","MoKα","","0.0881","0.0462","","","","0.1087","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011006","11.788","0.002","6.6204","0.0016","25.057","0.003","90","","90","","90","","1955.5","0.6","293.2","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C84 H84 N12 O16 S4 -","4","1","GD1093","Zhao, Yuekun; Helliwell, Madeleine; Joule, John A.","The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole","Acta Crystallographica Section C","2000","56","6","714","715","10.1107/S0108270100003541","","","1.5418","CuKα","","0.0452","0.038","","","","0.1071","","","","","","1.066","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011007","8.592","0.01","8.845","0.01","11.192","0.01","109.64","0.05","90.56","0.05","103.92","0.05","773.7","1.5","100","5","100","5","","","","","","","","5","P 1","P 1","1","NAD+","β-Nicotinamide Adenine Dinucleotide","","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","1","1","GS1072","Guillot, Benoit; Jelsch, Christian; Lecomte, Claude","The oxidized form of nicotinamide adenine dinucleotide","Acta Crystallographica Section C","2000","56","6","726","728","10.1107/S0108270100001220","","","0.709","MoKα","","0.019","0.019","","","","0.052","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011008","12.216","0.004","12.463","0.005","16.781","0.007","90","","90","","90","","2554.9","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Haperforine B1","methyl 4-(3,6-dihydro-2,2-dimethyl-6-oxo-2H-pyran-3-ylideneacetyl)-8- furanoyl-5-(1-hydroxyethyl)-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from <i>Harrisonia perforata</i> (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0516","0.0485","","0.1309","","0.1278","","","1.075","","","1.087","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011009","10.148","0.005","11.225","0.007","11.356","0.008","90","","99.44","0.02","90","","1276.1","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Haperforin D","methyl 6'-furanoyl-3-hydroxy-4,4,3',6',7a'-pentamethylperhydro-4H-furo[2,1-c]- pyran-2-spiro-1'-perhydroisobenzofuran-7'-spiro-2''-oxirane-3''-carboxylate","","- C27 H34 O10 -","- C27 H34 O10 -","- C54 H68 O20 -","2","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from <i>Harrisonia perforata</i> (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0703","0.0656","","0.1692","","0.1554","","","1.087","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011010","10.947","0.005","12.185","0.005","8.883","0.005","103.808","0.005","113.331","0.005","76.135","0.005","1042.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.0394","0.0358","","","","0.1037","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011011","15.387","0.005","22.349","0.005","14.579","0.005","90","","95.337","0.005","90","","4992","3","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 Cl2 Hg N2 O4 S2 -","- C20 H24 Cl2 Hg N2 O4 S2 -","- C160 H192 Cl16 Hg8 N16 O32 S16 -","8","2","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.1434","0.052","","","","0.137","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011012","16.8803","0.0005","16.1855","0.0004","19.3262","0.0006","90","","90","","90","","5280.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,13-(1',10'-Decandioxy)hexahelicen","","- C36 H34 O2 -","- C36 H34 O2 -","- C288 H272 O16 -","8","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0709","0.0571","","0.1664","","0.1557","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011013","18.1447","0.0004","12.3799","0.0003","10.8228","0.0003","90","","90","","90","","2431.12","0.1","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4,13-(1,8 octandioxy)-hexahelicen","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0398","0.0391","","0.1122","","0.1112","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011014","11.641","0.002","11.955","0.002","3.678","0.001","90","","90","","90","","511.86","0.19","150","","150","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","4,4'-bipyridinedichloromanganese(II)","","- C10 H8 Cl2 Mn N2 -","- C10 H8 Cl2 Mn N2 -","- C20 H16 Cl4 Mn2 N4 -","2","0.25","JZ1389","Chippindale, Ann M.; Cowley, Andrew R.; Peacock, Katherine J.","(4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination polymer","Acta Crystallographica Section C","2000","56","6","651","652","10.1107/S0108270100003474","","","0.71069","MoKα","","","0.033","","","0.038","","","","","1.0537","1.0537","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011015","9.324","0.002","25.149","0.003","11.753","0.002","90","","108","0.05","90","","2621.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxazol-5(4H)-one from Z-(Aib)~4~-OH","benzyl N-[8-(4,4-dimethyl-5-oxooxazol-2-yl)-2,5,5,8-tetramethyl-3,6-dioxo-4,7- diazanon-2-yl]carbamate","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","1","LN1097","Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","An oxazol-5(4<i>H</i>)-one from benzyloxycarbonyl-(Aib)~4~-OH","Acta Crystallographica Section C","2000","56","6","695","696","10.1107/S0108270100003413","","","0.71073","MoKα","","0.071","0.043","","","","0.132","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011016","10.1318","0.0002","13.2019","0.0002","14.9565","0.0005","77.207","0.001","80.992","0.002","76.834","0.002","1887.72","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Piperidine-1-carbodithioato-S,S')bis(triphenylphosphine-P)gold(I)","","- C42 H40 Au N P2 S2 -","- C42 H40 Au N P2 S2 -","- C84 H80 Au2 N2 P4 S4 -","2","1","LN1100","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin","(Piperidine-1-carbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I)","Acta Crystallographica Section C","2000","56","6","666","667","10.1107/S0108270100003760","","","0.71073","MoKα","","0.09","0.054","","","","0.124","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011017","12.5502","0.0007","9.5832","0.0005","15.395","0.0008","90","","95.734","0.001","90","","1842.31","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Co(en)~3~](C~2~O~4~)(ClO~4~)(H~2~O)~2~","Tris(ethylenediamine) cobalt (III) oxalato perchlorate dihydrate","","- C8 H28 Cl Co N6 O10 -","- C8 H28 Cl Co N6 O10 -","- C32 H112 Cl4 Co4 N24 O40 -","4","1","LN1103","Cai, Jiwen; Zhang, Yufei; Hu, Xiaopeng; Feng, Xiaolong","Tris(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) oxalate perchlorate dihydrate","Acta Crystallographica Section C","2000","56","6","661","663","10.1107/S0108270100004200","","","0.71073","MoKα","","0.0396","0.0306","","","","0.09","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011018","12.52","0.02","6.944","0.001","12.919","0.001","90","","90","","90","","1123.2","1.8","123.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H22 B P -","- C9 H22 B P -","- C36 H88 B4 P4 -","4","1","OA1100","Atsushi Ohashi; Tsuneo Imamoto","1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)","Acta Crystallographica Section C","2000","56","6","723","725","10.1107/S0108270100004066","","","1.5418","CuKα","","","0.0391","","","","0.0495","","","","","","1.913","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011019","10.346","0.001","9.796","0.002","20.597","0.001","90","","100.805","0.008","90","","2050.5","0.5","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 B2 P2 -","- C16 H38 B2 P2 -","- C64 H152 B8 P8 -","4","0.5","OA1100","Atsushi Ohashi; Tsuneo Imamoto","1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)","Acta Crystallographica Section C","2000","56","6","723","725","10.1107/S0108270100004066","","","1.5418","CuKα","","","0.0479","","","","0.0583","","","","","","1.787","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011020","7.092","0.008","30.78","0.03","7.126","0.007","90","","116.96","0.12","90","","1386","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-(Malonato)[(4R,5R)-4,5-bis(aminomethyl)-2,2-dimethyl- 1,3-dioxolane]platinum(II)","","- C10 H18 N2 O6 Pt -","- C10 H18 N2 O6 Pt -","- C40 H72 N8 O24 Pt4 -","4","2","OB1028","Cho, Sang Woo; Cho, Yongkee; Kim, Dae-Kee; Shin, Whanchul","<i>cis</i>-[(4<i>R</i>,5<i>R</i>)-4,5-Bis(aminomethyl)-2,2-dimethyl-1,3-dioxolane-<i>N</i>,<i>N</i>'](malonato-<i>O</i>,<i>O</i>')platinum(II), an anticancer agent","Acta Crystallographica Section C","2000","56","6","653","654","10.1107/S0108270100003577","","","0.71073","MoKα","","0.058","0.046","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011021","14.463","0.004","5.805","0.002","20.927","0.007","90","","101.27","0.04","90","","1723.1","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Octa-O-acetyl β,β-thio-Trehalose","","- C28 H38 O18 S -","- C28 H38 O18 S -","- C56 H76 O36 S2 -","2","1","OS1094","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Octa-<i>O</i>-acetyl-β,β-thiotrehalose","Acta Crystallographica Section C","2000","56","6","700","701","10.1107/S0108270100003681","","","0.71073","MoKα","","0.2942","0.0551","","","","0.1235","","","","","","1.321","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011022","23.343","0.009","4.7027","0.0009","14.935","0.006","90","","104.36","0.05","90","","1588.3","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 4-O-β-L-fucopyranosyl α-D-glucopyranoside hemihydrate","","- C13 H25 O10.5 -","- C13 H25 O10.5 -","- C52 H100 O42 -","4","1","OS1102","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 4-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside hemihydrate","Acta Crystallographica Section C","2000","56","6","702","704","10.1107/S0108270100003589","","","0.71073","MoKα","","0.051","0.035","","","","0.09","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011023","7.325","0.003","7.982","0.004","13.452","0.006","74.44","0.04","87.05","0.03","80.3","0.03","746.8","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C36 H26 N10 -","2","1","OS1110","Dahl, Tor","Intermolecular interactions and molecular geometry in molecular complexes of <i>N</i>,<i>N</i>-dimethylaniline: the 1:1 complex with 1,2,4,5-tetracyanobenzene","Acta Crystallographica Section C","2000","56","6","708","710","10.1107/S0108270100003590","","","0.71069","MoKα","","0.0732","0.0427","","","","0.1498","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011024","47.7172","0.0011","10.3463","0.0002","33.7261","0.0008","90","","133.694","0.008","90","","12038.9","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","o-benzoquinonediimine-dichloro-bis(triphenylphosphine)ruthenium(II)","","- C43.67 H42 Cl2.67 N2 O1.33 P2 Ru -","- C43.3333 H41.3333 Cl2 N2 O1.33333 P2 Ru -","- C520 H496 Cl24 N24 O16 P24 Ru12 -","12","1.5","QA0217","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Vega, Andrés; Latorre, Ramón","(<i>o</i>-Benzoquinone diimine-<i>N</i>,<i>N</i>')dichlorobis(triphenylphosphine-<i>P</i>)ruthenium(II) 1.33-methanol 0.33-dichloromethane solvate","Acta Crystallographica Section C","2000","56","6","e245","e246","10.1107/S0108270100006144","","","0.71073","MoKα","","0.075","0.041","","","","0.106","","","","","","0.991","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2011025","3.8515","0.0003","11.0201","0.0008","12.7303","0.0009","90","","92.312","0.002","90","","539.88","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","0.5","QA0228","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Jing; Xiong, Ren-Geng; You, Xiao-Zeng","Pyridine-4-carbaldehyde azine","Acta Crystallographica Section C","2000","56","6","e274","e275","10.1107/S0108270100007046","","","0.71073","MoKα","","0.079","0.067","","","","0.11","","","","","","1.247","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011026","7.136","0.003","23.71","0.003","25.964","0.004","90","","90","","90","","4393","2","298","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","propane-1,3-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C21 H24 N4 O8 -","- C21 H24 N4 O8 -","- C168 H192 N32 O64 -","8","1","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011027","26.919","0.004","7.572","0.003","11.966","0.003","90","","90","","90","","2439","1.2","298","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-cyclohexane-1,2-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C96 H112 N16 O32 -","4","0.5","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.074","","","","0.19","","","","","","1.77","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011028","8.1341","0.0012","13.4171","0.0019","9.2291","0.0014","90","","90","","90","","1007.2","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 N4 -","- C9 H12 N4 -","- C36 H48 N16 -","4","1","QA0267","Xu, An-Wu; Cai, Yue-Peng; Su, Cheng-Yong; Liu, Hong-Ke","Tris(2-cyanoethyl)amine","Acta Crystallographica Section C","2000","56","6","e262","e262","10.1107/S0108270100006156","","","0.71073","MoKα","","0.047","0.033","","","","0.081","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011029","13.658","0.002","14.199","0.003","11.72","0.003","104.92","0.02","112.08","0.02","68.32","0.01","1938.5","0.8","299","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cl2 Cu N3 O5 -","- C17 H17 Cl2 Cu N3 O5 -","- C68 H68 Cl8 Cu4 N12 O20 -","4","2","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.046","","","","0.148","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011030","23.377","0.004","9.204","0.002","16.361","0.003","90","","102.43","0.01","90","","3437.7","1.1","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl6 Cu3 N6 O2 -","- C28 H34 Cl6 Cu3 N6 O2 -","- C112 H136 Cl24 Cu12 N24 O8 -","4","0.5","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.04","","","","0.131","","","","","","1","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2011031","9.282","0.003","11.592","0.004","19.731","0.003","90","","90.76","0.02","90","","2122.8","1.1","299","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 Cu N4 O5 -","- C18 H24 Cl2 Cu N4 O5 -","- C72 H96 Cl8 Cu4 N16 O20 -","4","1","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.049","","","","0.197","","","","","","1.32","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011032","11.855","0.003","15.258","0.002","13.186","0.003","90","","105.14","0.02","90","","2302.3","0.9","299","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl Cu F6 N4 P -","- C19 H26 Cl Cu F6 N4 P -","- C76 H104 Cl4 Cu4 F24 N16 P4 -","4","1","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.045","","","","0.147","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011033","9.7989","0.0002","15.016","0.0005","17.7189","0.0005","90","","104.595","0.0016","90","","2523.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N10 -","- C28 H16 Mn N10 -","- C112 H64 Mn4 N40 -","4","1","QA0283","Wang, Zhe-Ming; Luo Jun; Sun Bai-Wang; Yan Chun-Hua; Liao Chun-Sheng; Gao Song","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and <i>cis</i>-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2000","56","6","e242","e244","10.1107/S0108270100006132","","","0.71073","MoKα","","0.088","0.045","","","","0.11","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011034","9.68","0.0003","15.0697","0.0007","17.7166","0.0008","90","","104.628","0.002","90","","2500.63","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N10 Zn -","- C28 H16 N10 Zn -","- C112 H64 N40 Zn4 -","4","1","QA0283","Wang, Zhe-Ming; Luo Jun; Sun Bai-Wang; Yan Chun-Hua; Liao Chun-Sheng; Gao Song","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and <i>cis</i>-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2000","56","6","e242","e244","10.1107/S0108270100006132","","","0.71073","MoKα","","0.086","0.045","","","","0.087","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011035","13.659","0.002","10.045","0.002","9.4366","0.0016","90","","108.205","0.018","90","","1229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylphenylsulfonium trifluormethansulfonate","","- C9 H11 F3 O3 S2 -","- C9 H11 F3 O3 S2 -","- C36 H44 F12 O12 S8 -","4","1","QA0284","Schulze-Matthäi, Kerstin; Bendig, Jürgen; Neubauer, Petra; Ziemer, Burkhard","Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","6","e257","e258","10.1107/S0108270100006077","","","0.71073","MoKα","","0.049","0.044","","","","0.125","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011036","12.5122","0.0013","9.0284","0.0006","15.3932","0.0014","90","","113.552","0.008","90","","1594","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyldiphenylsulfonium trifluoromethansulfonate","","- C14 H13 F3 O3 S2 -","- C14 H13 F3 O3 S2 -","- C56 H52 F12 O12 S8 -","4","1","QA0284","Schulze-Matthäi, Kerstin; Bendig, Jürgen; Neubauer, Petra; Ziemer, Burkhard","Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","6","e257","e258","10.1107/S0108270100006077","","","0.71073","MoKα","","0.036","0.031","","","","0.082","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011037","17.843","0.004","7.2015","0.0014","33.176","0.007","90","","95.59","0.03","90","","4242.7","1.6","293","2","29","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","tris-(4-Tolyl)phenylmethane","tris-(4-Tolyl)phenylmethane","","- C28 H26 -","- C28 H26 -","- C224 H208 -","8","1","QA0285","Jetti, Ram K. R.; Nangia, Ashwini","[Tris(4-tolyl)methyl]benzene","Acta Crystallographica Section C","2000","56","6","e259","e259","10.1107/S0108270100006090","","","0.71073","MoKα","","0.098","0.057","","","","0.173","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011038","8.96","0.001","8.96","0.001","16.617","0.004","90","","90","","90","","1334","0.4","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Potassium Barium Bismuth oxide","","- Ba4 Bi3 K O -","- Ba4 Bi3 K O -","- Ba16 Bi12 K4 O4 -","4","0.125","QA0287","Derrien, Gaelle; Tillard, Monique; Monconduit, Laure; Belin, Claude","Potassium barium bismuth oxide","Acta Crystallographica Section C","2000","56","6","e232","e232","10.1107/S0108270100006855","","","0.71069","MoKα","","0.072","0.046","","","","0.112","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011039","25.0892","0.0018","11.0572","0.0008","22.0033","0.0015","90","","111.395","0.002","90","","5683.4","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^5^-(2-(p-tolyl)prop-2-yl)cyclopentadienyl)-tribenzylzirconium","","- C36 H38 Zr -","- C36 H38 Zr -","- C288 H304 Zr8 -","8","2","QA0288","Sassmannshausen, Jörg; Rust, Jörg; Goddard, Richard","Tribenzyl{η^5^-[2-(<i>p</i>-tolyl)prop-2-yl]cyclopentadienyl}zirconium","Acta Crystallographica Section C","2000","56","6","e236","e237","10.1107/S0108270100006089","","","0.71073","MoKα","","0.084","0.044","","","","0.1","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011040","6.9867","0.0001","6.3049","0.0001","25.233","0.0001","90","","91.7544","0.0008","90","","1111","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquacobalt(II) 4-Toluenesulfonate","","- C14 H26 Co O12 S2 -","- C14 H26 Co O12 S2 -","- C28 H52 Co2 O24 S4 -","2","0.5","QA0289","Cabaleiro-Martínez, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio","Hexaaquacobalt(II) bis(4-toluenesulfonate)","Acta Crystallographica Section C","2000","56","6","e249","e250","10.1107/S0108270100006600","","","0.71073","MoKα","","0.041","0.036","","","","0.098","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011041","9.1481","0.0009","24.877","0.002","7.225","0.001","90","","90.82","0.01","90","","1644.1","0.3","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-butylammonium dihydrogenphosphate","","- C4 H14 N O4 P -","- C4 H14 N O4 P -","- C32 H112 N8 O32 P8 -","8","2","QA0290","Fábry, Jan; Císařová, Ivana; Kroupa, Jan","Ferroelastic <i>n</i>-butylammonium dihydrogenphosphate","Acta Crystallographica Section C","2000","56","6","e263","e264","10.1107/S0108270100006326","","","0.71073","MoKα","","0.459","0.0308","","0.0423","","0.0423","","","2.13","2.39","2.39","2.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011042","10.4676","0.0018","10.4774","0.0015","10.5727","0.0018","71.878","0.012","64.619","0.012","69.533","0.012","963.5","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","2","QA0291","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.","3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride","Acta Crystallographica Section C","2000","56","6","e265","e266","10.1107/S0108270100006430","","","0.71069","MoKα","","0.069","0.039","","","","0.118","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011043","9.975","0.002","7.186","0.002","24.267","0.006","90","","98.78","0.01","90","","1719.1","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mineral hexahydrite","magnesium sulfate hexahydrate","","- H12 Mg O10 S -","- H12 Mg O10 S -","- H96 Mg8 O80 S8 -","8","1","QA0292","Batsanov, Andrei S.","Magnesium sulfate hexahydrate at 120K","Acta Crystallographica Section C","2000","56","6","e230","e231","10.1107/S0108270100006442","","","0.71073","MoKα","","0.03","0.029","","","","0.078","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011044","5.479","0.002","10.84","0.004","11.159","0.003","90","","104.12","0.01","90","","642.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-difluoro-4-nitropyridine N-oxide","","- C5 H2 F2 N2 O3 -","- C5 H2 F2 N2 O3 -","- C20 H8 F8 N8 O12 -","4","1","QA0293","Batsanov, Andrei S.","3,5-Difluoro-4-nitropyridine <i>N</i>-oxide and 3,5-diamino-4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","6","e269","e270","10.1107/S0108270100006636","","","0.71073","MoKα","","0.064","0.04","","","","0.104","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011045","7","0.001","13.123","0.001","8.263","0.001","90","","90","","90","","759.05","0.15","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-diamino-4-nitropyridine N-oxide monohydrate","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","QA0293","Batsanov, Andrei S.","3,5-Difluoro-4-nitropyridine <i>N</i>-oxide and 3,5-diamino-4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","6","e269","e270","10.1107/S0108270100006636","","","0.71073","MoKα","","0.042","0.035","","","","0.0933","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011046","9.0719","0.0002","18.9903","0.0008","10.1528","0.0003","90","","103.62","0.002","90","","1699.92","0.1","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","BINAP oxide","(R)-(+)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl","","- C44 H32 O2 P2 -","- C44 H32 O2 P2 -","- C88 H64 O4 P4 -","2","1","QA0294","Bunten, Kevin A.; Farrar, David H.; Lough, Alan J.","(<i>R</i>)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl","Acta Crystallographica Section C","2000","56","6","e267","e267","10.1107/S0108270100006508","","","0.71073","MoKα","","0.078","0.052","","","","0.099","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011047","7.431","0.004","7.604","0.003","16.007","0.006","93.61","0.03","95.5","0.04","99.89","0.04","884","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2-hydroxy-4,6-dimethylacetophenone","2-hydroxy-4,6-dimethylphenylethanone","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","QA0296","Armelao, Lidia; Depaoli, Giovanni; Dolmella, Alessandro","1-(2-Hydroxy-4,6-dimethylphenyl)ethanone","Acta Crystallographica Section C","2000","56","6","e268","e268","10.1107/S0108270100006612","","","0.71073","MoKα","","0.11","0.049","","0.147","0.126","","","","0.913","1.157","1.157","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011048","12.19","0.002","9.147","0.002","14.612","0.003","90","","104.2","0.02","90","","1579.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cr O4 -","- C18 H14 Cr O4 -","- C72 H56 Cr4 O16 -","4","1","QA0298","Pèpe, Gérard; Hannesschlager, Patrick; Brun, Pierre","Tricarbonyl[(6a,7,8,9,10a-η)-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","2000","56","6","e251","e252","10.1107/S0108270100006843","","","0.71073","MoKα","","0.036","0.036","","0.073","","0.073","","","0.979","","","1.048","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011049","7.8786","0.0007","18.417","0.001","12.758","0.001","90","","96.971","0.005","90","","1837.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","QA0300","Winicker, Dominik; Bolte, Michael","Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,12-<i>trans</i>-dicarboxylate","Acta Crystallographica Section C","2000","56","6","e271","e272","10.1107/S0108270100006867","","","0.71073","MoKα","","0.059","0.05","","","","0.138","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011050","10.6397","0.0006","8.2558","0.0005","13.0057","0.0007","90","","90","","90","","1142.41","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 O3 -","- C4 Cl2 O3 -","- C32 Cl16 O24 -","8","1","QA0304","Blake, Alexander J.; Griffiths, Rhiannon M. T.; Howdle, Steven M.; Wilson, Claire","Dichloromaleic anhydride","Acta Crystallographica Section C","2000","56","6","e273","e273","10.1107/S0108270100007034","","","0.71073","MoKα","","0.026","0.023","","","","0.067","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011051","6.9505","0.0003","21.882","0.0008","12.9619","0.0005","90","","100.239","0.001","90","","1939.99","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-c]pyrimidine- 7(6H)-thione","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","1","QA0307","Akkurt, Mehmet; Öztürk, Sema; Fun, Hoong-Kun; Altural, Behzat","3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-<i>c</i>]pyrimidine-7(6<i>H</i>)-thione","Acta Crystallographica Section C","2000","56","6","e276","e277","10.1107/S0108270100007241","","","0.71073","MoKα","","0.143","0.061","","0.152","0.123","","","","0.953","1.107","1.107","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011052","12.426","0.003","29.446","0.01","7.45","0.009","90","","90","","90","","2726","3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Dysobinin","6β-acetoxyazadirone","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","QB0200","Sarkhel, Sanjay; Jain, Girish K.; Singh, Satywan; Subramanya, Hosahalli. S.; Maulik, Prakas R.","Dysobinin, a tetranortriterpenoid","Acta Crystallographica Section C","2000","56","6","e253","e254","10.1107/S0108270100006041","","","0.7093","MoKα","","0.094","0.045","","","","0.127","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011053","16.7683","0.0003","9.7089","0.0002","11.116","0.002","90","","90.9963","0.0011","90","","1809.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene dihydrochloride monohydrate","","- C14 H28 Cl2 N4 O -","- C14 H28 Cl2 N4 O -","- C56 H112 Cl8 N16 O4 -","4","1","QB0201","Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre","Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","2000","56","6","e255","e256","10.1107/S0108270100006065","","","0.71073","MoKα","","0.037","0.035","","","","0.112","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011054","10.7592","0.0003","10.8825","0.0003","15.4988","0.0003","90","","93.9033","0.0013","90","","1810.5","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene trihydrochloride","","- C14 H27 Cl2.826 N4.174 O0.522 -","- C14 H27 Cl2.826 N4.174 O0.522 -","- C56 H108 Cl11.304 N16.696 O2.088 -","4","1","QB0201","Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre","Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","2000","56","6","e255","e256","10.1107/S0108270100006065","","","0.71073","MoKα","","0.117","0.054","","","","0.122","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011055","24.2211","0.0008","10.6752","0.0004","35.1913","0.0012","90","","107.747","0.002","90","","8666.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-N)(o-benzoquinone diimine-N,N')chloro-trans- bis(triphenylphosphine-P)ruthenium(II) hexafluorophosphate 0.25-hydrate","","- C44 H39.5 Cl F6 N3 O0.25 P3 Ru -","- C44 H39 Cl F6 N3 O0.25 P3 Ru -","- C352 H312 Cl8 F48 N24 O2 P24 Ru8 -","8","2","QB0209","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón","(Acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')chloro-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) hexafluorophosphate 0.25-hydrate","Acta Crystallographica Section C","2000","56","6","e247","e248","10.1107/S0108270100006314","","","0.71073","MoKα","","0.165","0.056","","","","0.118","","","","","","0.875","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011056","12.033","0.002","12.033","0.002","13.863","0.004","90","","90","","120","","1738.3","0.6","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.017","0.017","","","","0.031","","","","","","1.623","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011057","11.922","0.001","11.922","0.001","13.761","0.002","90","","90","","120","","1693.9","0.3","84","2","84","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.018","","","","0.036","","","","","","1.398","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011058","11.893","0.001","11.893","0.001","13.735","0.002","90","","90","","120","","1682.4","0.3","9.5","0.5","9.5","0.5","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.02","","","","0.05","","","","","","1.459","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011059","17.632","0.0004","18.284","0.0004","22.998","0.0004","90","","91.27","0.0014","90","","7412.4","0.3","100","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cl3 Cr N6 O13 -","- C36 H24 Cl3 Cr N6 O13 -","- C288 H192 Cl24 Cr8 N48 O104 -","8","1","QB0212","Luck, Rudy L.; Gawryszewska, Paula; Riehl, James P.","Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')chromium(III) triperchlorate hydrate","Acta Crystallographica Section C","2000","56","6","e238","e239","10.1107/S0108270100006107","","","0.71073","MoKα","","","0.075","","","","0.241","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011060","21.078","0.0004","15.0708","0.0004","15.9811","0.0003","90","","102.823","0.001","90","","4949.98","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate","","- C56 H36 Cl2 Cu2 N8 O12 -","- C56 H36 Cl2 Cu2 N8 O12 -","- C224 H144 Cl8 Cu8 N32 O48 -","4","0.5","QB0213","Sun, Daofeng; Cao, Rong; Liang, Yucang; Hong, Maochun; Su, Weiping; Weng, Jiabao","μ-Terephthalato-bis[bis(1,10-phenanthroline)copper(I)] diperchlorate","Acta Crystallographica Section C","2000","56","6","e240","e241","10.1107/S0108270100006119","","","0.71073","MoKα","","0.052","0.039","","","","0.106","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011061","11.615","0.002","12","0.001","13.789","0.001","80.03","0.01","84.42","0.01","62.92","0.01","1685","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)","","- C20 H20 Cl11 Fe2 Sb3 -","- C20 H20 Cl11 Fe2 Sb3 -","- C40 H40 Cl22 Fe4 Sb6 -","2","1","SK1355","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Yamin, Bohari M.; Hashim, Norhayati","Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)","Acta Crystallographica Section C","2000","56","6","664","665","10.1107/S0108270100002912","","","0.71073","MoKα","","0.086","0.04","","","","0.085","","","","","","0.81","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011062","37.605","0.007","7.7797","0.0006","10.347","0.002","90","","90.82","0.02","90","","3026.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium tetrakis(hexanoato-O)zinc(II)","","- C24 H44 Na2 O8 Zn -","- C24 H44 Na2 O8 Zn -","- C96 H176 Na8 O32 Zn4 -","4","0.5","SK1361","Lah, Nina; Rep, Gregor; Šegedin, Primož; Golič, Ljubo; Leban, Ivan","Disodium tetrakis(hexanoato-<i>O</i>)zinc(II)","Acta Crystallographica Section C","2000","56","6","642","643","10.1107/S0108270100002924","","","0.71073","MoKα","","0.115","0.055","","","","0.133","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011063","4.8249","0.0005","13.0267","0.0016","15.5518","0.0011","90","","90.766","0.007","90","","977.38","0.17","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br6 Cu N2 O2 -","- C12 H10 Br6 Cu N2 O2 -","- C24 H20 Br12 Cu2 N4 O4 -","2","0.5","SK1366","Tatar, Leyla; Gökağac, Gülsün; Ülkü, Dinçer","Diamminebis(2,4,6-tribromophenolato-<i>O</i>)copper(II)","Acta Crystallographica Section C","2000","56","6","668","669","10.1107/S0108270100003966","","","1.54184","CuKα","","","0.045","","","","0.057","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011064","13.5984","0.0005","9.6927","0.0003","10.3211","0.0004","90","","108.981","0.001","90","","1286.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Self-assembly of 2-pivaloylchloropterin","","- C11 H12 Cl N5 O2 -","- C11 H12 Cl N5 O2 -","- C44 H48 Cl4 N20 O8 -","4","1","SK1368","Goswami, Shyamaprosad; Mukherjee, Reshmi; Ghosh, Kumaresh; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Self-assembly of 2-pivaloyl-6-chloropterin","Acta Crystallographica Section C","2000","56","6","716","717","10.1107/S0108270100004121","","","0.71073","MoKα","","0.083","0.055","","","","0.157","","","","","","1.07","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011065","10.24","0.0003","9.7505","0.0002","15.031","0.0004","90","","90","","90","","1500.77","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","SK1369","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","1,4-Bis(2-benzimidazolyl)benzene","Acta Crystallographica Section C","2000","56","6","718","719","10.1107/S0108270100003978","","","0.71073","MoKα","","0.111","0.0667","","","","0.1551","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011066","7.2971","0.0004","7.0999","0.0004","27.0085","0.0015","90","","95.62","0.01","90","","1392.55","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(2-nitrophenyl)-4-toluenethiosulfonate","","- C13 H11 N O4 S2 -","- C13 H11 N O4 S2 -","- C52 H44 N4 O16 S8 -","4","1","SK1372","Low, John Nicolson; Glidewell, Christopher; Wardell, James L.","Conformational preferences in 2-nitrophenylthiolates: <i>S</i>-(2-nitrophenyl) 4-toluenethiosulfonate","Acta Crystallographica Section C","2000","56","6","689","691","10.1107/S0108270100003346","","","0.71073","MoKα","","0.045","0.032","","","","0.083","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011067","13.1835","0.0011","6.505","0.0004","15.2171","0.0009","90","","92.217","0.004","90","","1304.02","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","S-(4-tolyl) 4-toluenethiosulfonate at 150K","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","SK1374","Ferguson, George; Glidewell, Christopher; Low, John Nicolson; Wardell, James L","A second monoclinic polymorph of <i>S</i>-(4-tolyl) 4-toluenethiosulfonate at 150 and 293K","Acta Crystallographica Section C","2000","56","6","692","694","10.1107/S0108270100003280","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011068","13.3579","0.0007","6.6176","0.0004","15.2123","0.0011","90","","92.1322","0.0019","90","","1343.79","0.14","293","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","S-(4-tolyl) 4-toluenethiosulfonate at 293K","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","SK1374","Ferguson, George; Glidewell, Christopher; Low, John Nicolson; Wardell, James L","A second monoclinic polymorph of <i>S</i>-(4-tolyl) 4-toluenethiosulfonate at 150 and 293K","Acta Crystallographica Section C","2000","56","6","692","694","10.1107/S0108270100003280","","","0.71073","MoKα","","0.109","0.049","","","","0.148","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011069","7.1167","0.0007","14.1692","0.0015","12.6473","0.0014","90","","93.753","0.004","90","","1272.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-(4-nitrophenyl)disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","0.5","SK1379","Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Bis(4-nitrophenyl) disulfide at 150K, a three-dimensional framework built from C—H···O hydrogen bonds and aromatic π···π stacking interactions","Acta Crystallographica Section C","2000","56","6","679","681","10.1107/S0108270100004649","","","0.71073","MoKα","","0.07","0.045","","","","0.107","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011070","10.417","0.003","8.263","0.002","16.5049","0.0012","90","","92.746","0.011","90","","1419","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Phenyl-8-oxa-9-aza-1,4,4-trimethylbicyclo[3.2.2]non-6-en-one","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","SX1097","Russi, Silvia; Pardo, Helena; Heinzen, Horacio; Dias, Eduardo; Moyna, Patrick; Mariezcurrena, Raúl A.; Suescun, Leopoldo; Mombrú, Alvaro W.","1,4,4-Trimethyl-9-phenyl-8-oxa-9-azabicyclo[3.2.2]non-6-en-2-one","Acta Crystallographica Section C","2000","56","6","672","673","10.1107/S0108270100002729","","","0.71069","MoKα","","0.0989","0.0422","","","","0.1393","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011071","7.2267","0.0006","13.2561","0.0011","13.1906","0.0011","90","","99.189","0.001","90","","1247.41","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(pyridine-4-thione)tungsten (0)","","- C10 H5 N O5 S W -","- C10 H5 N O5 S W -","- C40 H20 N4 O20 S4 W4 -","4","1","BK1522","Choi, Moon-Gun; Angelici, Robert J.","Pyridine‒pyridine π‒π stacking interactions in pentacarbonyl[pyridine-4(1<i>H</i>)-thione]tungsten(0)","Acta Crystallographica Section C","2000","56","7","808","810","10.1107/S0108270100006168","","","0.71073","MoKα","","0.0289","0.0229","","","","0.0541","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011072","7.4654","0.0015","9.233","0.002","11.895","0.002","103.73","0.03","90.73","0.03","112.98","0.03","728.2","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(imidazolidine-2-thione)-1,2-dicyano-digold(I)","","- C8 H12 Au2 N6 S2 -","- C8 H12 Au2 N6 S2 -","- C16 H24 Au4 N12 S4 -","2","1","BK1525","Stocker, Fred B.; Britton, Doyle","1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)","Acta Crystallographica Section C","2000","56","7","798","800","10.1107/S0108270100005783","","","0.71073","MoKα","","0.042","0.036","","0.093","0.089","","","","0.94","1","1","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011073","13.3922","0.0002","7.817","0.0001","14.9588","0.0003","90","","94.506","0.001","90","","1561.15","0.04","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-bis(dimethylthiourea)-2,2-dicyano-digold(I)","","- C8 H16 Au2 N6 S2 -","- C8 H16 Au2 N6 S2 -","- C32 H64 Au8 N24 S8 -","4","1","BK1525","Stocker, Fred B.; Britton, Doyle","1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)","Acta Crystallographica Section C","2000","56","7","798","800","10.1107/S0108270100005783","","","0.71073","MoKα","","0.032","0.026","","0.063","0.061","","","","1.07","1.1","1.1","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011074","10.352","0.001","20.083","0.002","6.828","0.004","90","","90","","90","","1419.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-poly[[diaqua(phenanthroline-N,N')cadmium(II)-μ-(sulfato- O:O')]","","- C12 H12 Cd N2 O6 S -","- C12 H12 Cd N2 O6 S -","- C48 H48 Cd4 N8 O24 S4 -","4","1","BK1526","Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2000","56","7","811","813","10.1107/S010827010000617X","","","0.71073","MoKα","","0.032","0.026","","","","0.076","","","","","","0.995","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011075","15.384","0.003","14.826","0.003","6.926","0.001","90","","107.54","0.03","90","","1506.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd N2 O6 S -","- C14 H16 Cd N2 O6 S -","- C56 H64 Cd4 N8 O24 S4 -","4","0.5","BK1526","Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2000","56","7","811","813","10.1107/S010827010000617X","","","0.71073","MoKα","","0.028","0.026","","","","0.073","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011076","16.456","0.0014","5.5761","0.0009","11.9512","0.0012","90","","94.517","0.007","90","","1093.2","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,8,10-tetraoxa-3,9-diphosphaspiro[5,5]undecane, 3,9,-dimethyl-3,9-dioxide","","- C7 H14 O6 P2 -","- C7 H14 O6 P2 -","- C28 H56 O24 P8 -","4","0.5","BK1533","Elnagar, Hassan Y.; Ranken, Paul F.; Fronczek, Frank R.","A pentaerythritol-derived spirodiphosphonate","Acta Crystallographica Section C","2000","56","7","905","906","10.1107/S0108270100006181","","","0.71073","Mo-Kα","","0.034","0.031","","0.047","","0.047","","","1.983","","","1.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011077","12.309","0.004","13.659","0.003","13.611","0.001","89.92","0.01","94.1","0.01","95.01","0.02","2273.8","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","tetrabutylammonium-α-acetyl-γ-butyrolactonate","","- C22 H43 N O3 -","- C22 H43 N O3 -","- C88 H172 N4 O12 -","4","2","BM1402","Goddard, Richard; Hütte, Stephan; Reetz, Manfred T.","Tetrabutylammonium α-acetyl-γ-butyrolactonate containing a three-dimensional hydrogen-bonded network","Acta Crystallographica Section C","2000","56","7","878","880","10.1107/S0108270100004959","","","0.71073","MoKα","","0.113","0.0743","","","","0.219","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011078","6.417","0.003","8.963","0.004","11.902","0.006","93.35","0.04","90.89","0.04","92.88","0.04","682.4","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C32 H32 N8 -","2","1","BM1407","Nesterov, Vladimir N.; Viltchinskaia, Elena A.","6-Amino-5,5,7-tricyano-3,3a,4,5-tetrahydro-2<i>H</i>-indene-4-spirocyclopentane","Acta Crystallographica Section C","2000","56","7","872","873","10.1107/S0108270100004832","","","0.71073","MoKα","","0.0744","0.0473","","","","0.122","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011079","12.296","0.002","12.296","0.002","12.296","0.002","90","","90","","90","","1859.1","0.5","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0424","0.0321","","","","0.0803","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011080","12.241","0.002","12.241","0.002","12.241","0.002","90","","90","","90","","1834.2","0.5","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0226","0.0189","","","","0.0446","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011081","12.585","0.001","12.585","0.001","12.585","0.001","90","","90","","90","","1993.2","0.3","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.023","0.0199","","","","0.0443","","","","","","1.259","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011082","12.522","0.003","12.522","0.003","12.522","0.003","90","","90","","90","","1963.5","0.8","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0203","0.0186","","","","0.0417","","","","","","1.309","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011083","8.501","0.002","10.426","0.002","11.282","0.002","68.46","0.03","87.3","0.03","67.14","0.03","851.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tetraammonium disodium decavanadate 10-hydrate","Tetraammonium dinatrium decavanadate 10-hydrate","","- H36 N4 Na2 O38 V10 -","- H36 N4 Na2 O38 V10 -","- H36 N4 Na2 O38 V10 -","1","0.5","BR1283","Fratzky, Dietmar; Schneider, Matthias; Rabe, Stefan; Meisel, Manfred","(NH~4~)~4~Na~2~[V~10~O~28~]·10H~2~O","Acta Crystallographica Section C","2000","56","7","740","741","10.1107/S0108270100005448","","","0.71073","MoKα","","0.04","0.036","","","","0.102","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011084","7.4","0.003","18.511","0.005","8.92","0.003","90","","111.91","0.02","90","","1133.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenylazoaniline hydrochloride","","- C12 H12 Cl N3 -","- C12 H12 Cl N3 -","- C48 H48 Cl4 N12 -","4","1","BR1286","Yatsenko, A. V.; Chernyshev, V. V.; Kurbakov, A. I.; Schenk, H.","<i>p</i>-Phenylazoaniline hydrochloride from powder data: protonation site and UV‒visible spectra","Acta Crystallographica Section C","2000","56","7","892","894","10.1107/S0108270100005357","","","1.5418","CuKα","","","","","","","","","","1.75","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011085","11.207","0.002","8.21","0.001","7.696","0.001","90","","90.25","0.01","90","","708.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.025","0.025","","","","0.06","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011086","11.084","0.002","8.213","0.001","7.617","0.001","90","","90.77","0.01","90","","693.33","0.18","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.038","0.031","","","","0.079","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011087","11.074","0.007","8.227","0.002","7.6135","0.0005","90","","90.95","0.04","90","","693.5","0.5","10","2","10","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.032","0.031","","","","0.077","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011088","5.73","0.001","10.213","0.002","12.232","0.002","68.15","0.03","82.08","0.03","86.08","0.03","657.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","molybdenum(V) glycinate","Di-μ-O-μ-2-aminoacetate-bis[(2-aminoacetate-N,O)oxo-molybdenum(V)]","","- C12 H26 Mo4 N6 O20 -","- C6 H13 Mo2 N3 O10 -","- C12 H26 Mo4 N6 O20 -","2","1","BR1289","Liu, Guang; Liu, Jian; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei","μ-Glycine-<i>O</i>:<i>O</i>'-di-μ-oxo-bis[(glycinato-<i>N</i>,<i>O</i>)oxomolybdenum(V)]","Acta Crystallographica Section C","2000","56","7","822","823","10.1107/S0108270100006466","","","0.71069","MoKα","","0.0353","0.0313","","","","0.0864","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011089","7.0373","0.0007","10.0928","0.0011","13.1649","0.0013","103.225","0.008","105.45","0.012","103.76","0.009","831.68","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(5,6-dimethyl-1,10-phenanthroline)(glycolato)copper(II) nitrate","","- C16 H17 Cu N3 O7 -","- C16 H17 Cu N3 O7 -","- C32 H34 Cu2 N6 O14 -","2","1","DA1111","Medina, Gerardo; Gasque, Laura; Bernès, Sylvain","Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(glycolato-<i>O</i>,<i>O</i>')copper(II) nitrate","Acta Crystallographica Section C","2000","56","7","766","768","10.1107/S0108270100004777","","","0.71073","MoKα","","0.0429","0.0339","","","","0.0919","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011090","7.5865","0.0009","11.8102","0.0014","12.2307","0.0015","78.612","0.003","84.519","0.002","77.17","0.002","1045.9","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","Chloro-(1,5-bis(N-1-methylimidazole-2-methyl)-1,5-diazacyclooctane) cobalt(II) perchlorate","","- C16 H26 Cl2 Co N6 O4 -","- C16 H26 Cl2 Co N6 O4 -","- C32 H52 Cl4 Co2 N12 O8 -","2","1","DA1118","Du, Miao; Shang, Zhi-Liang; Xu, Qiang; Zhang, Ruo-Hua; Leng, Xue-Bing; Bu, Xian-He","[1,5-Bis(1-methyl-1<i>H</i>-imidazol-2-ylmethyl-κ<i>N</i>^3^)-1,5-diazacyclooctane-<i>N</i>,<i>N</i>']chlorocobalt(II) perchlorate","Acta Crystallographica Section C","2000","56","7","769","770","10.1107/S0108270100004789","","","0.71073","MoKα","","","0.0643","","","","0.163","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011091","9.44","0.001","9.366","0.001","9.741","0.001","90","","101.69","0.01","90","","843.39","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","21α-fluoro-7-norvouacapane-17β,21α-lactone","","- C20 H25 F O3 -","- C20 H25 F O3 -","- C40 H50 F2 O6 -","2","1","DA1124","Ruggiero, Silvana Guilardi; Gambardella, Maria Teresa do Prado; Branco, Marcelo Cardoso; Demuner, Antonio Jacinto; Barbosa, Luis Claudio A.; Piló-Veloso, Dorila","21α-Fluoro-7-norvouacapane-17β,21α-lactone","Acta Crystallographica Section C","2000","56","7","868","869","10.1107/S0108270100004790","","","0.71073","MoKα","","0.048","0.035","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011092","8.0547","0.0011","17.378","0.002","17.919","0.003","90","","90","","90","","2508.2","0.6","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7-Dihydrodibenz[e,g]azulen-8(5H)-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.059","0.036","","","","0.105","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011093","11.8466","0.0012","12.489","0.0015","20.703","0.002","90","","90","","90","","3063.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.058","0.037","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011094","14.7505","0.0009","5.7579","0.0003","24.941","0.002","90","","104.358","0.003","90","","2052.1","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O -","- C12 H15 N O -","- C96 H120 N8 O8 -","8","1","DE1130","Gerkin, Roger E.","(3<i>R</i>*,4<i>R</i>*)-3-Isopropyl-4-phenylazetidin-2-one at 150K","Acta Crystallographica Section C","2000","56","7","848","849","10.1107/S0108270100005874","","","0.71073","MoKα","","","0.042","","","","0.088","","","","","","1.95","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011095","32.1141","0.0006","10.3464","0.0002","6.579","0.0001","90","","94.679","0.001","90","","2178.69","0.07","291","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","DE1131","Gerkin, Roger E.","4,8-Dimethoxy-1-naphthalenemethanol","Acta Crystallographica Section C","2000","56","7","846","847","10.1107/S0108270100005023","","","0.71073","MoKα","","","0.048","","","","0.126","","","","","","1.98","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011096","14.79","0.014","5.681","0.009","11.187","0.011","90","","90","","90","","940","2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","2-Aminofluorene","2-Aminofluorene","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","DE1132","Steiner, Thomas","N—H···π hydrogen bonding in 2-aminofluorene","Acta Crystallographica Section C","2000","56","7","874","875","10.1107/S0108270100005035","","","0.71073","MoKα","","0.065","0.043","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011097","7.766","0.002","11.67","0.002","14.385","0.002","90","","90","","90","","1303.7","0.4","153","","153","","","","","","","","","4","P n m a","-P 2ac 2n","62","tetraethylammonium hydroxide tetrahydrate","tetraethylammonium hydroxide-water (1/4)","","- C8 H29 N O5 -","- C8 H29 N O5 -","- C32 H116 N4 O20 -","4","0.5","DE1137","Wiebcke, Michael; Felsche, Jürgen","NEt~4~OH·4H~2~O containing infinite hydroxide‒water ribbons","Acta Crystallographica Section C","2000","56","7","901","902","10.1107/S0108270100005886","","","0.71073","MoKα","","0.1324","0.0473","","","","0.1407","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011098","7.856","0.007","5.963","0.005","14.94","0.011","90","","100.69","0.07","90","","687.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thiosalicylic acid","2-mercaptobenzoic acid","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","DE1138","Steiner, Thomas","S—H···S hydrogen-bond chain in thiosalicylic acid","Acta Crystallographica Section C","2000","56","7","876","877","10.1107/S0108270100005898","","","0.71073","MoKα","","0.081","0.0567","","","","0.171","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011099","16.146","0.003","8.66","0.002","19.096","0.004","90","","93.74","0.03","90","","2664.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","verticine","cevane-3β,6α,20-triol ethanol hydrate","","- C56 H98 N2 O8 -","- C56 H98 N2 O8 -","- C112 H196 N4 O16 -","2","1","DE1140","Zhang, Jin-Nan; Lin, Ge; Ho, Yee-Ping; Li, Ping; Chow, Albert H. L.","Verticine ethanol hydrate (2/1/1)","Acta Crystallographica Section C","2000","56","7","907","909","10.1107/S010827010000264X","","","0.71073","MoKα","","0.053","0.05","","","","0.12","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011100","7.177","0.002","42.67","0.002","5.09","0.002","90","","90","","90","","1558.8","0.8","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,15-pentadecanediol","","","- C15 H32 O2 -","- C15 H32 O2 -","- C60 H128 O8 -","4","1","DE1141","Nakamura, Naotake; Uno, Kenjiro; Watanabe, Ryoji; Ikeya, Tatsuhiro; Ogawa, Yoshihiro","1,15-Pentadecanediol","Acta Crystallographica Section C","2000","56","7","903","904","10.1107/S0108270100006272","","","1.5418","CuKα","","0.0787","0.0487","","0.0658","","0.0582","","","1.387","","","1.516","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011101","9.483","0.002","11.042","0.002","9.394","0.002","104.14","0.02","101.45","0.02","114.03","0.02","820.4","0.4","298","","298","","","","","","","","","2","P -1","-P 1","2","","3a,9a-trans-9,9a-trans-4,4-dimethyl-9- phenyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indene","","- C21 H24 -","- C21 H24 -","- C42 H48 -","2","1","FG1579","Hashizume, Daisuke; Takashima, Naoki; Oikawa, Takashi; Ishii, Hideki; Niwa, Haruki; Iwasaki, Fujiko","2,3,3a,4,9,9a-Hexahydro-9-phenylbenzo[<i>f</i>]indene derivatives","Acta Crystallographica Section C","2000","56","7","827","829","10.1107/S0108270100004091","","","0.71073","MoKα","","0.077","0.046","","","","0.149","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011102","9.0001","0.0008","19.287","0.002","8.9918","0.0008","96.654","0.008","101.494","0.007","97.908","0.008","1498.4","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","3a,4-trans-3a,9a-cis-9,9a-trans-4-methoxy-9- phenyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indene","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","2","FG1579","Hashizume, Daisuke; Takashima, Naoki; Oikawa, Takashi; Ishii, Hideki; Niwa, Haruki; Iwasaki, Fujiko","2,3,3a,4,9,9a-Hexahydro-9-phenylbenzo[<i>f</i>]indene derivatives","Acta Crystallographica Section C","2000","56","7","827","829","10.1107/S0108270100004091","","","0.71073","MoKα","","0.062","0.042","","","","0.121","","","","","","1.04","","","","has coordinates,has Fobs","192292","2020-10-21","18:00:00",""
"2011103","9.044","0.003","10.665","0.002","17.879","0.005","90","","114.07","0.05","90","","1574.6","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C68 H64 N8 O14 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.037","0.032","","","","0.077","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011104","12.634","0.003","12.832","0.003","19.406","0.004","90","","90","","90","","3146.1","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C136 H128 N16 O28 Re8 -","4","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.054","0.048","","","","0.112","","","","","","1.217","","","","has coordinates,has disorder,has Fobs","200213","2020-10-21","18:00:00",""
"2011105","10.137","0.01","18.733","0.015","16.131","0.011","90","","126.43","0.06","90","","2465","4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:4)","","- C38 H36 Cl12 N4 O7 Re2 -","- C38 H36 Cl12 N4 O7 Re2 -","- C76 H72 Cl24 N8 O14 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.125","0.068","","","","0.185","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011106","9.0223","0.0012","10.4856","0.0015","10.7375","0.0017","79.75","0.012","89.256","0.011","81.82","0.011","989.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:2)","","- C36 H34 Cl6 N4 O7 Re2 -","- C36 H34 Cl6 N4 O7 Re2 -","- C36 H34 Cl6 N4 O7 Re2 -","1","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.033","0.028","","","","0.07","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011107","8.9642","0.0016","10.053","0.003","10.669","0.003","91.23","0.02","91.685","0.018","97.913","0.017","951.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} dichloromethane solvate (1:2)","","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","1","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.051","0.049","","","","0.137","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","200214","2020-10-21","18:00:00",""
"2011108","10.1085","0.0008","11.2053","0.0008","14.0447","0.0007","90","","91.367","0.005","90","","1590.37","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} hydrate (1:2)","","- C34 H36 N4 O9 Re2 -","- C34 H36 N4 O9 Re2 -","- C68 H72 N8 O18 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.053","0.047","","","","0.101","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011109","9.198","0.004","12.771","0.001","9.88","0.005","90","","113.09","0.02","90","","1067.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)nickel(II) perchlorate","","- C12 H30 Cl2 N6 Ni O8 -","- C12 H30 Cl2 N6 Ni O8 -","- C24 H60 Cl4 N12 Ni2 O16 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand <i>cis</i>-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.046","0.0436","","","","0.1173","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011110","9.075","0.001","12.891","0.001","9.963","0.003","90","","112.438","0.009","90","","1077.3","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)zinc(II) perchlorate","","- C12 H30 Cl2 N6 O8 Zn -","- C12 H30 Cl2 N6 O8 Zn -","- C24 H60 Cl4 N12 O16 Zn2 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand <i>cis</i>-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.1849","0.0596","","","","0.1745","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011111","9.7364","0.0005","10.2509","0.0005","10.9197","0.0006","106.141","0.0013","111.259","0.0014","107.593","0.002","871.17","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(thioacetato-S)bis(triphenylphosphine-P)nickel(II)","","- C40 H36 Ni O2 P2 S2 -","- C40 H36 Ni O2 P2 S2 -","- C40 H36 Ni O2 P2 S2 -","1","0.5","FG1594","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","<i>trans</i>-Bis(thioacetato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","2000","56","7","775","776","10.1107/S0108270100004893","","","0.71073","MoKα","","0.062","0.043","","","","0.106","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011112","13.3126","0.0005","14.3251","0.0005","18.9767","0.0007","90","","95.819","0.003","90","","3600.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 I N2 P2 -","- C41 H41 I N2 P2 -","- C164 H164 I4 N8 P8 -","4","1","FG1596","Ellis, Dianne D.; Spek, Anthony L.; Imhoff, Pieter; Elsevier, Cornelis J.","{[(<i>N</i>-Methyl-<i>p</i>-toluidino)diphenylphosphoranylidene]methyl}(<i>N</i>-methyl-<i>p</i>-toluidino)diphenylphosphonium iodide","Acta Crystallographica Section C","2000","56","7","836","837","10.1107/S0108270100004170","","","0.71073","MoKα","","0.0851","0.0471","","","","0.1208","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011113","7.5837","0.0004","11.2598","0.0005","12.8491","0.0007","94.403","0.004","103.025","0.004","98.284","0.004","1051","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O Te -","- C16 H25 Cl4 N O Te -","- C32 H50 Cl8 N2 O2 Te2 -","2","1","FG1599","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.","Benzyltriethylammonium 2,2,2,4-tetrachloro-2,5-dihydro-1,2λ^5^-oxatellurole","Acta Crystallographica Section C","2000","56","7","897","898","10.1107/S0108270100005515","","","0.71073","MoKα","","0.025","0.022","","","","0.059","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011114","9.0197","0.0006","17.918","0.002","21.375","0.003","95.641","0.012","97.375","0.011","93.083","0.009","3401.6","0.7","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","tetraallyl (2,2'-bipyridyl)-rac-3,3,7,7-tetramethyl-trans-5-palladatricyclo [4.1.0.0^2,4^]heptane-1,2,4,6-tetracarboxylate","","- C36 H40 N2 O8 Pd -","- C36 H40 N2 O8 Pd -","- C144 H160 N8 O32 Pd4 -","4","2","FG1601","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Tetraallyl (2,2'-bipyridyl)-<i>rac</i>-3,3,7,7-tetramethyl-<i>trans</i>-5-palladatricyclo[4.1.0.0^2,^^4^]heptane-1,2,4,6-tetracarboxylate above and below the phase-transition temperature of 194K","Acta Crystallographica Section C","2000","56","7","814","817","10.1107/S0108270100006193","","","0.71073","MoKα","","0.079","0.0459","","","","0.1009","","","","","","1.212","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011115","8.9583","0.0008","11.3245","0.0018","17.906","0.003","83.438","0.016","88.482","0.014","72.118","0.016","1717.4","0.5","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","tetraallyl (2,2'-bipyridyl)-rac-3,3,7,7-tetramethyl-trans-5-palladatricyclo [4.1.0.0^2,4^]heptane-1,2,4,6-tetracarboxylate","","- C36 H40 N2 O8 Pd -","- C36 H40 N2 O8 Pd -","- C72 H80 N4 O16 Pd2 -","2","1","FG1601","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Tetraallyl (2,2'-bipyridyl)-<i>rac</i>-3,3,7,7-tetramethyl-<i>trans</i>-5-palladatricyclo[4.1.0.0^2,^^4^]heptane-1,2,4,6-tetracarboxylate above and below the phase-transition temperature of 194K","Acta Crystallographica Section C","2000","56","7","814","817","10.1107/S0108270100006193","","","0.71073","MoKα","","0.0585","0.0422","","","","0.1009","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011116","8.111","0.003","10.013","0.001","13.277","0.003","101.22","0.01","102.85","0.02","102.01","0.01","994.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pefloxacinium methanesulfonate 0.10 hydrate","4-(3-Carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)-1- methylpiperazinium methanesulfonate 0.10 hydrate","","- C18 H24.2 F N3 O6.1 S -","- C18 H24.2 F N3 O6.1 S -","- C36 H48.4 F2 N6 O12.2 S2 -","2","1","FR1263","Parvez, Masood; Arayne, M. Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir","Pefloxacinium methanesulfonate 0.10-hydrate","Acta Crystallographica Section C","2000","56","7","910","912","10.1107/S0108270100004340","","","1.54178","CuKα","","0.047","0.04","","","","0.111","","","","","","1.1","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2011117","8.478","0.001","10.406","0.001","21.336","0.001","90","","95.701","0.009","90","","1873","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","enol tautomer of 4-(phenylsulfonyl)-spiro[cyclopentane-1, 9'-[9H]fluorene]-2, 3- dione","","","- C23 H16 O4 S -","- C23 H16 O4 S -","- C92 H64 O16 S4 -","4","1","FR1267","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in the enol tautomer of 4-(phenylsulfonyl)spiro[cyclopentane-1,9'-[9<i>H</i>]fluorene]-2,3-dione","Acta Crystallographica Section C","2000","56","7","843","845","10.1107/S0108270100004595","","","0.71073","MoKα","","","0.046","","","","0.083","","","","","","1.44","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011118","25.1353","0.0012","25.1353","0.0012","6.2139","0.0004","90","","90","","90","","3925.8","0.4","180","2","180","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","2,2-Dimethyl-3,4-dihydro-6-hydroxy-(2H)-benzo-(1,2-b)-pyran","","- C11 H14 O2 -","- C11 H14 O2 -","- C176 H224 O32 -","16","1","FR1268","Jha, Amitabh; Malhotra, Sanjay; Parmar, Virinder S.; Errington, William","6-Hydroxy-2,2-dimethyl-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran","Acta Crystallographica Section C","2000","56","7","899","900","10.1107/S0108270100005813","","","0.71073","MoKα","","0.082","0.047","","","","0.115","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011119","7.5402","0.0006","10.4339","0.0012","10.816","0.0011","113.796","0.008","91.867","0.008","103.108","0.009","750.92","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","3-Fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid.","","","- C19 H15 F O2 -","- C19 H15 F O2 -","- C38 H30 F2 O4 -","2","1","FR1271","Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in 3-fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid","Acta Crystallographica Section C","2000","56","7","850","852","10.1107/S0108270100005199","","","0.71073","MoKα","","","0.05","","","","0.067","","","","","","1.7","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011120","44.486","0.005","12.1755","0.0013","16.995","0.002","90","","108.958","0.002","90","","8705.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11,12,24,25-Tetrahydro-28,34-dimethoxy-3,6,16,19,31,37-hexamethyl- 1,21[1',3']:8,14[1"",3""]-dibenzeno-10H,23H-tetrabenzo[f,h,o,z][1,5,10,14]- tetraoxacyclooctadecin]","","- C50 H50 Cl Li O7 -","- C50 H48 Cl Li O7 -","- C400 H384 Cl8 Li8 O56 -","8","1","FR1274","Helgeson, Roger C.; Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Deceased 7 May 1998","The lithium chloride complex of the <i>anti</i> isomer of the bridged spherand C~50~H~48~O~6~","Acta Crystallographica Section C","2000","56","7","795","797","10.1107/S0108270100005722","","","0.71073","MoKα","","","0.074","","","","0.241","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011121","11.3705","0.0002","9.7132","0.0002","19.0382","0.0003","90","","90","","90","","2102.65","0.07","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methylbenzyl)malonic acid","","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","1","FR1275","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2-(2-methylbenzyl)malonic acid at 150K","Acta Crystallographica Section C","2000","56","7","853","854","10.1107/S0108270100006235","","","0.71073","MoKα","","","0.048","","","","0.085","","","","","","1.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011122","8.087","0.001","11.354","0.002","6.622","0.002","101.15","0.02","96.64","0.02","102.79","0.01","573.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","0.5C6 H18 N2 2+, As2 H5 O10 Zn2 1-","N,N,N',N'-tetramethylethylenediammonium (arsenate)diaqua(hydrogen arsenate)dizinc(II)","","- C3 H14 As2 N O10 Zn2 -","- C3 H14 As2 N O10 Zn2 -","- C6 H28 As4 N2 O20 Zn4 -","2","1","GD1075","Hajem, Amen Allah; Trojette, Basma; Driss, Ahmed; Jouini, Tahar","Layered zincoarsenate templated by <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylene-diamine molecules","Acta Crystallographica Section C","2000","56","7","793","794","10.1107/S0108270100005370","","","0.71069","MoKα","","0.03","0.027","","","","0.077","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011123","5.2281","0.0007","5.5511","0.0007","12.009","0.001","94.59","0.01","90.36","0.01","94.91","0.01","346.1","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","Lithium phosphoenolpyruvate monohydrate","","- C3 H6 Li O7 P -","- C3 H6 Li O7 P -","- C6 H12 Li2 O14 P2 -","2","1","GD1096","Zych, Tomasz; Turowska-Tyrk, Ilona; Lis, Tadeusz","Lithium phosphoenolpyruvate monohydrate at 85K","Acta Crystallographica Section C","2000","56","7","818","819","10.1107/S010827010000620X","","","0.71073","MoKα","","0.039","0.026","","0.085","","0.079","","","1.16","","","1.2","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011124","7.8655","0.0002","14.8464","0.0004","16.4602","0.0004","108.059","0.0014","102.035","0.0014","90.0908","0.0014","1782.73","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(1,1-dimethyl-3-oxobutyl)diiodostannane","Diiodobis(4-methylpentan-2-onato-C^4^,O)tin(IV)","","- C12 H22 I2 O2 Sn -","- C12 H22 I2 O2 Sn -","- C48 H88 I8 O8 Sn4 -","4","2","GD1099","Howie, R. Alan; Wardell, James L.","Diiodobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV): a comparison with diiodobis(3-methoxy-3-oxopropyl-<i>C</i>,<i>O</i>)tin(IV)","Acta Crystallographica Section C","2000","56","7","806","807","10.1107/S0108270100005989","","","0.71073","MoKα","","0.066","0.042","","","","0.1","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011125","7.3994","0.0003","9.9179","0.0004","11.3987","0.0006","83.841","0.002","82.063","0.002","79.433","0.003","811.56","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","meso-6,13-Diamino-6,13-dimethyl-1,4,8,11- tetraazacyclotetradecane‒2,2'-biphenol (1/2)","","- C36 H50 N6 O4 -","- C36 H50 N6 O4 -","- C36 H50 N6 O4 -","1","0.5","GG1003","Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","Chains of fused rings in the hydrogen-bonded structure of <i>meso</i>-6,13-diamino-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane‒2,2'-biphenol (1/2)","Acta Crystallographica Section C","2000","56","7","859","861","10.1107/S0108270100005527","","","0.71073","MoKα","","0.063","0.0452","","","","0.1169","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011126","5.4859","0.0002","6.9595","0.0004","12.5211","0.0007","98.6245","0.0017","93.561","0.004","92.174","0.003","471.19","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene","","- C20 H16 Cl2 O4 S2 -","- C20 H16 Cl2 O4 S2 -","- C20 H16 Cl2 O4 S2 -","1","0.5","GG1006","Wardell, James L; Low, John N; Glidewell, Christopher","Hydrogen-bonded molecular ladders in 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene","Acta Crystallographica Section C","2000","56","7","862","864","10.1107/S0108270100005928","","","0.71073","MoKα","","0.055","0.039","","","","0.104","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011127","20.893","0.003","9.01","0.002","33.399","0.005","90","","91.04","0.01","90","","6286.2","1.9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-dicyclohexylphosphine-3κP-μ-hydrido- 1:2κ^2^H-μ-phenylthio-1:2κ^2^S-triangulo-triosmium","","- C27 H29 O9 Os3 P S -","- C27 H29 O9 Os3 P S -","- C216 H232 O72 Os24 P8 S8 -","8","1","GS1077","Flörke, Ulrich; Egold, Hans; Schraa, Markus","Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns","Acta Crystallographica Section C","2000","56","7","760","762","10.1107/S0108270100004571","","","0.71073","MoKα","","0.103","0.045","","","","0.077","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011128","10.214","0.002","12.997","0.002","14.409","0.001","69.16","0.01","80.58","0.01","76.62","0.01","1732.2","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","nonacarbonyl-1κ^3^C,2κ^2^C,3κ^4^C-dicyclohexylphosphine-2κP-μ-hydrido- 1:2κ^2^H-μ-(2-naphthylthio)-1:2κ^2^S-triangulo-triosmium","","- C31 H31 O9 Os3 P S -","- C31 H31 O9 Os3 P S -","- C62 H62 O18 Os6 P2 S2 -","2","1","GS1077","Flörke, Ulrich; Egold, Hans; Schraa, Markus","Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns","Acta Crystallographica Section C","2000","56","7","760","762","10.1107/S0108270100004571","","","0.71073","MoKα","","0.057","0.04","","","","0.104","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011129","7.8295","0.0006","19.3334","0.0018","8.1244","0.001","90","","116.019","0.008","90","","1105.2","0.2","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C44 H44 N8 Ni2 O8 -","2","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.201","0.045","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011130","6.2795","0.0006","9.912","0.001","10.392","0.001","64.96","0.01","86.441","0.008","73.333","0.009","560.1","0.11","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","1","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.076","0.035","","","","0.084","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011131","18.4434","0.0014","6.859","0.0005","11.5334","0.0009","90","","107.488","0.002","90","","1391.58","0.18","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-diacetylanthracene","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","GS1083","Jones, Simon; .; Atherton, J. C. Christian; Elsegood, Mark R. J.; Clegg, William","Dimethyl 9,10-anthracenedicarboxylate: a centrosymmetric <i>transoid</i> molecule","Acta Crystallographica Section C","2000","56","7","881","883","10.1107/S0108270100004972","","","0.71073","MoKα","","0.0452","0.0375","","","","0.1047","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011132","8.845","0.002","9.931","0.002","27.325","0.005","90","","90","","90","","2400.2","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl {1-[2,3-O-isopropylidene-5-O-(4-nitrobenzoyl)-α-D- ribofuranosyl]-4-methoxycarbonyl-1,2,3-triazol-5-yl} acetate","","- C22 H24 N4 O11 -","- C22 H24 N4 O11 -","- C88 H96 N16 O44 -","4","1","JZ1388","Leban, Ivan; Štimac, Anton; Kobe, Jože; Giester, Gerald","Methyl {1-[2,3-<i>O</i>-isopropylidene-5-<i>O</i>-(4-nitrobenzoyl)-α-<small>D</small>-ribofuranosyl]-4-methoxycarbonyl-1<i>H</i>-1,2,3-triazol-5-yl}acetate","Acta Crystallographica Section C","2000","56","7","890","891","10.1107/S0108270100005394","","","0.71073","MoKα","","0.0557","0.0491","","","","0.1221","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011133","17.635","0.005","8.418","0.002","22.591","0.005","90","","100.5","0.03","90","","3297.5","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3R*,3'R*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C144 H128 N16 S16 -","8","1","JZ1394","Baumeister, Ute; Hartung, Helmut; Spitzner, Roland; Felicetti, Michael; Schroth, Werner","(3<i>R</i>*,3'<i>R</i>*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione","Acta Crystallographica Section C","2000","56","7","830","831","10.1107/S0108270100004194","","","0.71073","MoKα","","0.1","0.042","","","","0.106","","","","","","0.991","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011134","11.543","0.002","13.996","0.005","9.918","0.0007","90","","90","","90","","1602.3","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[iodo(1-methyl-1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C8 H12 Hg I2 N4 S2 -","- C8 H12 Hg I2 N4 S2 -","- C32 H48 Hg4 I8 N16 S8 -","4","1","JZ1398","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","Diiodobis(1-methyl-1,3-imidazolium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2000","56","7","801","803","10.1107/S0108270100005825","","","0.71073","MoKα","","0.064","0.043","","","","0.116","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011135","9.168","0.002","15.111","0.003","13.962","0.003","90","","101.98","0.02","90","","1892.1","0.7","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzimidazol-2-io)-6-(1,3-benzimidazol-2-yl)pyridine perchlorate monohydrate","","- C19 H16 Cl N5 O5 -","- C19 H16 Cl N5 O5 -","- C76 H64 Cl4 N20 O20 -","4","1","LN1095","Boča, Miroslav; Valigura, Dušan; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","2-[6-(1<i>H</i>-Benzimidazol-2-yl)-2-pyridyl]-1<i>H</i>-benzimidazol-3-ium perchlorate monohydrate","Acta Crystallographica Section C","2000","56","7","838","839","10.1107/S0108270100004376","","","0.71093","MoKα","","0.063","0.041","","","","0.125","","","","","","1.023","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011136","9.8389","0.0003","11.2975","0.0005","14.234","0.0005","90","","100.988","0.002","90","","1553.17","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cu N8 -","- C16 H8 Cu N8 -","- C64 H32 Cu4 N32 -","4","1","LN1104","Wang, Zhe-Ming; Luo, Jun; Sun, Bai-Wang; Yan, Chun-Hua; Gao, Song; Liao, Chun-Sheng","<i>catena</i>-Poly[[dicyanamido(1,10-phenanthroline)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section C","2000","56","7","786","788","10.1107/S0108270100004984","","","0.71073","MoKα","","0.0773","0.0439","","","","0.1203","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011137","9.192","0.002","10.726","0.004","10.904","0.002","61.3","0.03","70.01","0.02","87.69","0.03","876.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N12 O8 Zn2 -","- C28 H40 N12 O8 Zn2 -","- C28 H40 N12 O8 Zn2 -","1","0.5","NA1444","Tomić, Zoran D.; Jaćimović, Željko K.; Leovac, Vukadin M.; Češljević, Valeria I.","Transition metal complexes with pyrazole-derived ligands. XI. [Zn(μ-<i>L</i>)(H<i>L</i>)(OAc)]~2~ (H<i>L</i> is 4-acetyl-3-amino-5-methylpyrazole)","Acta Crystallographica Section C","2000","56","7","777","779","10.1107/S0108270100004881","","","0.71073","MoKα","","0.062","0.042","","0.104","","0.098","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011138","18.17","0.004","10.53","0.003","6.972","0.002","90","","90","","90","","1334","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lena-3h","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C44 H52 N20 O20 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.71069","MoKα","","0.0676","0.0487","","","","0.1297","","","","","","1.194","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011139","11.333","0.0012","16.025","0.0014","7.162","0.0007","90","","95.587","0.005","90","","1294.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lena-3b","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.7107","MoKα","","0.1106","0.0482","","","","0.1406","","","","","","0.734","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011140","8.253","0.006","8.493","0.003","10.084","0.002","78.79","","88.52","","74.95","","669.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Lenaa3","2-(4'-nitrophenylimino)-1,3,5-trimethyl-1,3,5-triazine-4,6,-dione","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.71093","MoKα","","0.0644","0.0484","","","","0.1442","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011141","11.127","0.0006","9.195","0.0009","13.094","0.0011","90","","101.264","0.005","90","","1313.88","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenac3","2-(4'-nitrophenylimino)-1,3,5-trimethyl-1,3,5-triazine-4,6,-dione","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.7107","MoKα","","0.0747","0.0502","","","","0.1423","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011142","20.3597","0.0007","9.94","0.0003","12.0064","0.0004","90","","112.336","0.001","90","","2247.5","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyridine-N)zinc dibenzoate","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","0.5","NA1461","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhao, Pu-Su; Jian, Fang-Fang; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Bis(2-aminopyridine-<i>N</i>)bis(benzoato-<i>O</i>)zinc","Acta Crystallographica Section C","2000","56","7","742","743","10.1107/S0108270100003462","","","0.71073","MoKα","","0.087","0.061","","","","0.111","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011143","5.9217","0.0008","15.3265","0.0015","15.9824","0.0014","90","","95.188","0.01","90","","1444.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Phenyl-3,5-bis(2-pyridyl)-4H-1,2,4-triazole","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","1","NA1465","Zhu, Dun-Ru; Xu, Yan; Zhang, Yong; Wang, Tian-Wei; You, Xiao-Zeng","4-Phenyl-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2000","56","7","895","896","10.1107/S0108270100005473","","","0.71073","MoKα","","0.071","0.042","","","","0.109","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011144","11.225","0.003","10.951","0.001","8.43","0.002","90","","103.5","0.01","90","","1007.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3-tetramethyl guanidinium phosphate","","- C5 H16 N3 O4 P -","- C5 H16 N3 O4 P -","- C20 H64 N12 O16 P4 -","4","1","NA1466","Criado, A.; Diánez, M.J.; Pérez-Garrido, S.; Fernandes, I. M. L.; Belsley, M.; de Matos Gomes, E.","1,1,3,3-Tetramethylguanidinium dihydrogenorthophosphate","Acta Crystallographica Section C","2000","56","7","888","889","10.1107/S0108270100005187","","","0.71069","MoKα","","0.0403","0.0338","","0.1052","0.1012","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011145","7.146","0.002","19.751","0.004","7.408","0.001","90","","106.12","0.02","90","","1004.5","0.4","294","2","294","2","","","","","","","","4","I 1 a 1","I -2ya","9","","7-Chloro-3,6-dimethyl-1H-indene-2-carbaldehyde","","- C12 H11 Cl O -","- C12 H11 Cl O -","- C48 H44 Cl4 O4 -","4","1","NA1467","Pani, Marcella; Mugnoli, Angelo; Sottofattori, Enzo","7-Chloro-3,6-dimethyl-1<i>H</i>-indene-2-carbaldehyde","Acta Crystallographica Section C","2000","56","7","840","842","10.1107/S010827010000442X","","","0.7107","MoKα","","0.0407","0.0382","","","","0.0951","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011146","8.641","0.003","11.6","0.003","8.046","0.001","92.11","","103.77","0.03","92.06","","782","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate","","- C12 H16 N2 O8 S Zn -","- C12 H16 N2 O8 S Zn -","- C24 H32 N4 O16 S2 Zn2 -","2","1","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo; Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011147","8.8044","0.0015","10.4281","0.0013","8.7719","0.0012","103.738","0.012","99.385","0.014","113.357","0.011","687.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(zinc(II) 2,9-dimethyl-1,10-phenanthroline sulfate)","","- C28 H24 N4 O8 S2 Zn2 -","- C28 H24 N4 O8 S2 Zn2 -","- C28 H24 N4 O8 S2 Zn2 -","1","0.5","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo; Bis(zinc(II) 2,9-dimethyl-1,10-phenanthroline sulfate)","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.7107","MoKα","","0.035","0.033","","","","0.096","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011148","15.421","0.003","12.701","0.003","6.694","0.001","90","","102.13","0.03","90","","1281.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-aqua(zinc(II) bipyridil sulfate)","","- C10 H12 N2 O6 S Zn -","- C10 H12 N2 O6 S Zn -","- C40 H48 N8 O24 S4 Zn4 -","4","0.5","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.71073","MoKα","","0.056","0.029","","","","0.085","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011149","19.7025","0.0009","7.766","0.002","16.7929","0.0006","90","","90","","90","","2569.5","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","triethylammonium cis-tetrachlorodi(4-ethylpyridine)molybdenum(III)","","- C20 H34 Cl4 Mo N3 -","- C20 H34 Cl4 Mo N3 -","- C80 H136 Cl16 Mo4 N12 -","4","1","NA1469","Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo","A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product","Acta Crystallographica Section C","2000","56","7","780","782","10.1107/S0108270100004911","","","0.71073","MoKα","","0.047","0.029","","","","0.059","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011150","16.1077","0.0008","7.6691","0.0004","7.1566","0.0004","90","","98.012","0.004","90","","875.44","0.08","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","trans-tetrachlorodi(4-ethylpyridine)molybdenum(IV)","","- C14 H18 Cl4 Mo N2 -","- C14 H18 Cl4 Mo N2 -","- C28 H36 Cl8 Mo2 N4 -","2","0.25","NA1469","Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo","A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product","Acta Crystallographica Section C","2000","56","7","780","782","10.1107/S0108270100004911","","","0.71073","MoKα","","0.029","0.017","","","","0.028","","","1.317","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011151","10.878","0.002","11.598","0.003","17.077","0.002","73.19","0.02","81.944","0.019","66.91","0.02","1896.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H108 O6 Sn4 -","- C80 H108 O6 Sn4 -","- C80 H108 O6 Sn4 -","1","0.5","NA1470","Reuter, Hans; Pawlak, Rüdiger","Hydrolysis products of diorganotin dihalides. I. Bis[1,3-dihydroxo-1,1,3,3-tetrakis(2-methyl-2-phenylpropyl)distannoxane]","Acta Crystallographica Section C","2000","56","7","804","805","10.1107/S0108270100006016","","","0.71073","MoKα","","0.039","0.028","","","","0.072","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011152","8.1698","0.0004","14.3745","0.0007","14.9238","0.0008","90","","99.649","0.001","90","","1727.81","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro(5,8-dioxa-2,11-dithia[12]-o-cyclophane)palladium(II)","","- C14 H20 Cl2 O2 Pd S2 -","- C14 H20 Cl2 O2 Pd S2 -","- C56 H80 Cl8 O8 Pd4 S8 -","4","1","OA1097","Yoon, Il; Yoo, Byeong Soon; Lee, Shim Sung; Kim, Bong Gon","<i>cis</i>-Dichloro(5,8-dioxa-2,11-dithia[12]-<i>o</i>-cyclophane)palladium(II)","Acta Crystallographica Section C","2000","56","7","758","759","10.1107/S0108270100004364","","","0.71073","MoKα","","0.0353","0.0317","","","","0.0817","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011153","21.004","0.005","13.061","0.003","14.441","0.004","90","","98.266","0.011","90","","3920.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C184 H152 N24 O32 -","8","2","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.346","0.0864","","0.3798","","0.2213","","","0.92","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011154","15.331","0.003","18.419","0.003","8.8318","0.0014","90","","97.401","0.008","90","","2473.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole t-butanol solvate","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C108 H116 N12 O20 -","4","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1886","0.064","","0.3018","","0.1928","","","0.893","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011155","9.51","0.002","13.236","0.004","9.168","0.002","104.651","0.013","92.624","0.015","85.83","0.02","1113.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole 0.5-dioxane solvate","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C50 H46 N6 O10 -","2","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1035","0.0535","","0.1688","","0.1386","","","1.002","","","1.061","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011156","9.614","0.002","29.011","0.005","8.984","0.002","90","","91.933","0.01","90","","2504.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole benzene solvate","","- C29 H25 N3 O4 -","- C29 H25 N3 O4 -","- C116 H100 N12 O16 -","4","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1735","0.0638","","0.3171","","0.1907","","","0.88","","","0.941","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011157","7.1543","0.0007","9.9408","0.0011","12.946","0.001","90","","90","","90","","920.71","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K2 Ti Si3 O9, H2O","dipotassium titanium trisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","OS1103","Zou, Xiaodong; Dadachov, Mike S.","K~2~TiSi~3~O~9~·H~2~O","Acta Crystallographica Section C","2000","56","7","738","739","10.1107/S010827010000545X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011158","9.2007","0.0009","12.2973","0.0017","30.421","0.003","90","","93.26","0.012","90","","3436.4","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 O6 P2 Pd -","- C36 H30 Cl2 O6 P2 Pd -","- C144 H120 Cl8 O24 P8 Pd4 -","4","1","QA0303","Sabounchei, S. J.; Naghipour, A.; Bickley, Jamie F.","<i>cis</i>-Dichlorobis(triphenyphosphite-<i>P</i>)palladium(II)","Acta Crystallographica Section C","2000","56","7","e280","e280","10.1107/S0108270100007642","","","0.71073","MoKα","","0.082","0.044","","","","0.107","","","","","","0.861","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011159","19.0603","0.0005","16.596","0.0004","15.4192","0.0003","90","","90","","90","","4877.5","0.2","100","1","100","1","","","","","","","","7","A b a 2","A 2 -2ab","41","","Bis(acetonitrile-N)(o-benzoquinone diimine-N,N')-trans-bis(triphenyl- phosphine-P)ruthenium(II) hexafluorophosphate methanol solvate","","- C47 H46 F12 N4 O P4 Ru -","- C47 H46 F12 N4 O P4 Ru -","- C188 H184 F48 N16 O4 P16 Ru4 -","4","","QA0305","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón","Bis(acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) bis(hexafluorophosphate) methanol solvate","Acta Crystallographica Section C","2000","56","7","e281","e282","10.1107/S0108270100007654","","","0.71073","MoKα","","0.033","0.027","","","","0.073","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011160","13.8864","0.0002","18.4943","0.0007","6.9664","0.0009","90","","90","","90","","1789.1","0.2","100","1","100","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","N-glicyl-2-hydroxibenzaldiminate potasium salt","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","QA0306","Paredes-García, Verónica; Venegas-Yazigi, Diego; Lough, Alan J.; Latorre, Ramón","Potassium <i>N</i>-(6-oxocyclohexa-1,3-dien-5-ylidenemethyl)glycinate","Acta Crystallographica Section C","2000","56","7","e283","e283","10.1107/S0108270100007666","","","0.71073","MoKα","","0.049","0.034","","","","0.091","","","","","","1.051","","","","has coordinates,has Fobs","194580","2020-10-21","18:00:00",""
"2011161","8.9944","0.0009","16.257","0.002","10.519","0.001","90","0.009","103.08","0.01","90","0.009","1498.2","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(9,9-dipropylfluorene)","","- C38 H42 -","- C38 H42 -","- C76 H84 -","2","0.5","QA0308","Suchod, Bernadette; Stéphan, Olivier; Kervella, Yann","2,2'-Bi(9,9-di-<i>n</i>-propylfluorene)","Acta Crystallographica Section C","2000","56","7","e297","e297","10.1107/S010827010000768X","","","0.71073","MoKα","","0.087","0.076","","0.047","","0.045","","","1.127","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011162","7.582","0.001","19.19","0.003","8.143","0.001","90","","109.95","0.01","90","","1113.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phthalimido-3-iodo propane","","- C11 H10 I N O2 -","- C11 H10 I N O2 -","- C44 H40 I4 N4 O8 -","4","1","QA0309","Chandramohan, Kattamuri; Ravikumar, Krishnan; Rajendar, Shenigarapu","<i>N</i>-(3-Iodopropyl)phthalimide","Acta Crystallographica Section C","2000","56","7","e298","e299","10.1107/S0108270100007691","","","0.71073","MoKα","","0.048","0.036","","0.099","","0.092","","","1.139","","","1.183","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011163","13.4315","0.0001","10.3779","0.0002","10.256","0.0002","90","","106.216","0.001","90","","1372.72","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide","","- C11 H12 Br N5 O2 -","- C11 H12 Br N5 O2 -","- C44 H48 Br4 N20 O8 -","4","1","QA0311","Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Goswami, Shyamaprosad; Mukherjee, Reshmi; Adak, Avijit","<i>N</i>-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide","Acta Crystallographica Section C","2000","56","7","e302","e303","10.1107/S0108270100007861","","","0.71073","MoKα","","0.096","0.054","","","","0.128","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011164","7.537","0.004","13.602","0.008","12.779","0.005","90","","94.57","0.02","90","","1305.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","QA0312","Niwayama, Satomi; Holt, Elizabeth M.","6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid","Acta Crystallographica Section C","2000","56","7","e300","e301","10.1107/S0108270100007757","","","0.71073","MoKα","","0.095","0.067","","","","0.233","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011165","12.2892","0.0004","13.1612","0.0005","19.3696","0.0007","95.512","0.001","103.177","0.001","116.801","0.001","2650.47","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","N,N-bis(2-hydroxyethyl)dithiocarbamatobis(triphenylphosphine) Copper(I) Triphenylphosphine","","- C59 H55 Cu N O2 P3 S2 -","- C59 H55 Cu N O2 P3 S2 -","- C118 H110 Cu2 N2 O4 P6 S4 -","2","1","QA0313","Jian, Fangfang; Bei, Fengli; Lu, Lude; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-<i>S</i>]bis(triphenylphosphine-<i>P</i>)copper(I) triphenylphosphine solvate","Acta Crystallographica Section C","2000","56","7","e288","e289","10.1107/S0108270100007873","","","0.71073","MoKα","","0.128","0.057","","","","0.139","","","","","","0.86","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011166","20.709","0.004","9.968","0.002","23.66","0.005","90","","101.04","0.03","90","","4793.7","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrakis(ethylenediammonium) tetra-μ-hydrogenphosphato-di-μ-hydroxo- tetra-μ-phosphato-bis(aquacobalt)hexakis(oxovanadium) trihydrate","","- C8 H56 Co N8 O45 P8 V6 -","- C8 H40 Co N8 O45 P8 V6 -","- C32 H160 Co4 N32 O180 P32 V24 -","4","0.5","QA0314","Luan, Guo-You; Wang, En-Bo; You, Wan-Sheng; Xu, Lin; He, Qin-Lin","A hydrated ethylenediammonium salt of a new polymeric polyoxoanion: (H~2~en)~4~[Co(H~2~O)~2~(OH)~2~(VO)~6~(HPO~4~)~4~(PO~4~)~4~]·3H~2~O","Acta Crystallographica Section C","2000","56","7","e284","e285","10.1107/S0108270100007769","","","0.71073","MoKα","","0.054","0.046","","0.137","0.134","","","","1.123","1.211","1.211","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011167","7.842","0.002","11.458","0.003","8.824","0.002","90","","114.26","0.03","90","","722.9","0.4","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4,6,2',4',6'-Hexamethyl-4H,4'H[4,4']bipyranyl","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","0.5","QA0317","Ziemer, Burkhard; Grubert, Lutz","2,2',4,4',6,6'-Hexamethyl-4,4'-bi[4<i>H</i>-pyranyl]","Acta Crystallographica Section C","2000","56","7","e304","e304","10.1107/S0108270100007885","","","0.71073","MoKα","","0.054","0.044","","","","0.119","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011168","16.015","0.003","10.219","0.003","24.275","0.005","90","","93.94","0.03","90","","3963.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-diethylamido-N:N-bis[chlorodimethyltin(IV)]","","- C12 H32 Cl2 N2 Sn2 -","- C12 H32 Cl2 N2 Sn2 -","- C96 H256 Cl16 N16 Sn16 -","8","1","QA0318","Barreca, Davide; Benetollo, Franco; Garon, Simona; Tondello, Eugenio; Zanella, Pierino","The chloro(diethylamino)dimethyltin dimer","Acta Crystallographica Section C","2000","56","7","e290","e291","10.1107/S0108270100007897","","","0.71073","MoKα","","0.056","0.056","","","","0.14","","","","","","1.209","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011169","8.4691","0.0009","10.3985","0.0008","12.4538","0.0015","90","","90","","90","","1096.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C48 H80 N8 O4 -","4","1","QA0321","Kooijman, Huub; Spek, Anthony L.","(1<i>R</i>,4b<i>S</i>,8a<i>R</i>)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","Acta Crystallographica Section C","2000","56","7","e295","e296","10.1107/S0108270100007678","","","0.71073","MoKα","","0.089","0.05","","","","0.104","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011170","13.3847","0.0001","18.2966","0.0003","8.978","0.0001","90","","105.296","0.001","90","","2120.78","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium) 2,4-dichlorophenoxyacetate","","- C20 H29 Cl2 N O3 -","- C20 H29 Cl2 N O3 -","- C80 H116 Cl8 N4 O12 -","4","1","QA0322","Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng","Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","2000","56","7","e292","e294","10.1107/S0108270100007903","","","0.71073","MoKα","","0.09","0.063","","","","0.198","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011171","13.45","0.0002","25.8202","0.0004","11.7071","0.0002","90","","96.79","0.001","90","","4037.15","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphine)(2,4-dichlorophenoxyacetato)silver(I)","","- C44 H35 Ag Cl2 O3 P2 -","- C44 H35 Ag Cl2 O3 P2 -","- C176 H140 Ag4 Cl8 O12 P8 -","4","1","QA0322","Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng","Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","2000","56","7","e292","e294","10.1107/S0108270100007903","","","0.71073","MoKα","","0.057","0.042","","","","0.11","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011172","10.455","0.002","12.41","0.002","10.592","0.002","90","","115.077","0.01","90","","1244.7","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","phenylmethyl 5-(6,8-diaza-6-(2-diethoxyphosphono) acetyl)-7-oxo-3-thiabicyclo [3.3.0] oct-2-yl) pentanoate","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","QA0325","Amspacher, David R.; Blanchard, Carol Z.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Fronczek, Frank R.","Benzyl 5-{2-[2-(diethoxyphosphinoyl)acetyl]-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl}pentanoate, a novel biotin derivative","Acta Crystallographica Section C","2000","56","7","e305","e306","10.1107/S0108270100007915","","","0.71073","Mo-Kα","","0.057","0.04","","","","0.101","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011173","13.824","0.005","13.824","0.005","13.824","0.005","90","","90","","90","","2641.8","1.7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","tetramethylammonium hexamolybdate hydrate","","- C8 H26 Mo6 N2 O20 -","- C8 H25.98 Mo6 N2 O20 -","- C32 H103.92 Mo24 N8 O80 -","4","0.0208333","QB0194","Strukan, Neven; Cindrić, Marina; Devčić, Maja; Giester, Gerald; Kamenar, Boris","Bis(tetramethylammonium) hexamolybdate hydrate, [(CH~3~)~4~N]~2~[Mo~6~O~19~]·H~2~O","Acta Crystallographica Section C","2000","56","7","e278","e279","10.1107/S0108270100007630","","","0.71069","MoKα","","0.031","0.025","","","","0.064","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011174","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB0203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate","Acta Crystallographica Section C","2000","56","7","e307","e308","10.1107/S0108270100007927","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011175","10.005","0.005","16.449","0.005","8.186","0.005","90","0.2","105.8","0.2","90","0.2","1296.3","1.7","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","QB0205","Thinapong, Pongchan; Rangsiman, Orapin; Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Reutrakul, Vichai","9,10-Dimethoxy-4-methyl-1,2-dihydro-1-azaanthracen-2-one (kalasinamide), a new azaanthracene alkaloid","Acta Crystallographica Section C","2000","56","7","e309","e310","10.1107/S0108270100008064","","","0.7093","MoKα","","0.068","0.053","","","","0.163","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011176","11.226","0.002","17.836","0.002","12.932","0.002","90","","111.32","0.01","90","","2412.1","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate","","- C50 H44 Cl2 Ni O8 P4 -","- C50 H44 Cl2 Ni O8 P4 -","- C100 H88 Cl4 Ni2 O16 P8 -","2","0.5","QB0214","Li, Yi-Zhi; Liu, Jia-Cheng; Wang, Zhi-Ping; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu","Bis[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']nickel(II) diperchlorate","Acta Crystallographica Section C","2000","56","7","e286","e287","10.1107/S0108270100007824","","","0.71069","MoKα","","","0.033","","","","0.044","","","","","","1.22","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011177","14.067","0.001","10.1759","0.0007","15.755","0.001","90","","90","","90","","2255.2","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","catena-poly[[bis(2,2'-bipyridyl-1κ^2^N,N')-μ-cyano-1:2κ^2^N:C-dicyano- 2κ^2^C-dinickel(II)]-μ-cyano-C:N]","","- C24 H16 N8 Ni2 -","- C24 H16 N8 Ni2 -","- C96 H64 N32 Ni8 -","4","0.5","SK1357","Juraj Černák; Abboud, Khalil A.","Ni(bipy)~2~Ni(CN)~4~, a new type of one-dimensional square tetracyano complex","Acta Crystallographica Section C","2000","56","7","783","785","10.1107/S0108270100004996","","","0.71073","MoKα","","0.09","0.046","","","","0.142","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011178","16.4027","0.0006","8.76805","0.00019","19.5576","0.0004","90","","90","","90","","2812.77","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 La O10 -","- C10 H17 La O10 -","- C80 H136 La8 O80 -","8","1","SK1364","Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais","Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","7","789","792","10.1107/S010827010000500X","","","0.71073","MoKα","","0.0326","0.028","","","","0.0494","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011179","4.8297","0.0002","7.9967","0.0005","11.0644","0.0006","89.022","0.003","80.294","0.003","78.5","0.003","412.69","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2)","","- C12 H20 N2 O8 P2 -","- C12 H20 N2 O8 P2 -","- C12 H20 N2 O8 P2 -","1","0.5","SK1384","Glidewell, Christopher; Ferguson, George; Lough, Alan J.","A structural hierarchy in the hydrogen-bonded adduct ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i> = 3) with substructures having <i>N</i> = 1 and 2","Acta Crystallographica Section C","2000","56","7","855","858","10.1107/S0108270100004650","","","0.71073","MoKα","","0.064","0.0457","","","","0.1249","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011180","13.114","0.001","12.7121","0.0019","20.959","0.003","90","","105.594","0.007","90","","3365.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trans-1,2-bis(2-nitroanilino)cyclohexane","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C144 H160 N32 O32 -","8","2","SK1388","Ward, Mark F.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded molecular ladders in <i>trans</i>-1,2-bis(2-nitroanilino)cyclohexane","Acta Crystallographica Section C","2000","56","7","865","867","10.1107/S0108270100006260","","","0.71073","MoKα","","0.2831","0.0668","","","","0.1403","","","","","","0.862","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011181","7.139","0.002","26.763","0.002","6.815","0.002","90","","90","","90","","1302.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl Fe O5 -","- C11 H11 Cl Fe O5 -","- C44 H44 Cl4 Fe4 O20 -","4","1","SX1099","Russi, Silvia; Suescun, Leopoldo; Mombrú, Alvaro; Pardo, Helena; Mariezcurrena, Raúl A.; Cavalli, Gabriel; Seoane, Gustavo","(<i>S</i>)-Tricarbonyl[(1,2,3,4-η)-(5<i>R</i>,6<i>S</i>)-1-chloro-5,6-dimethoxycyclohexa-1,3-diene]iron(0)","Acta Crystallographica Section C","2000","56","7","820","821","10.1107/S0108270100006399","","","0.7107","MoKα","","0.048","0.044","","","","0.119","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011182","11.686","0.012","11.671","0.006","16.667","0.018","90","","120.8","0.04","90","","1953","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","octasodium hexatungstomanganate(IV) octadecahydrate","","- H36 Mn Na8 O42 W6 -","- Mn Na8 O42 W6 -","- Mn2 Na16 O84 W12 -","2","0.5","TA1280","Nolan, Annette L.; Burns, Robert C.; Lawrance, Geoffrey A.; Craig, Donald C.","Octasodium hexatungstomanganate(IV) octadecahydrate","Acta Crystallographica Section C","2000","56","7","729","730","10.1107/S010827010000408X","","","0.71069","MoKα","","0.047","0.038","","0.123","","0.12","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011183","9.837","0.0008","12.382","0.0009","12.1515","0.0009","90","","97.212","0.002","90","","1468.36","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetrakis[1,1,2,2(η^5^)-methylcyclopentadienyl]di-μ-isopropxy- 1:2κ^2^O-diyttrium(III)(Y-Y)","","- C30 H42 O2 Y2 -","- C30 H42 O2 Y2 -","- C60 H84 O4 Y4 -","2","0.5","TA1289","Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong","Di-μ-isopropoxy-bis[bis(η^5^-methylcyclopentadienyl)yttrium(III)]","Acta Crystallographica Section C","2000","56","7","747","748","10.1107/S0108270100004133","","","0.71073","MoKα","","0.044","0.036","","","","0.099","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011184","10.867","0.003","24.284","0.004","5.427","0.002","90","","90","","90","","1432.2","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-diphenyl-thiopyran-4-one","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","0.5","VJ1103","T. Narasimhamurthy; R.V. Krishnakumar; J.C.N.Benny; K.Pandiarajan; M.A.Viswamitra","2,6-Diphenylthiapyran-4-one","Acta Crystallographica Section C","2000","56","7","870","871","10.1107/S0108270100004765","","","1.5418","CuKα","","0.0473","0.0429","","","","0.1225","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011185","14.9965","0.0007","4.217","0.0003","26.022","0.001","90","","90","","90","","1645.64","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","7-aza-IAA","7-azaindole-3-acetic acid","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","2","AV1034","Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker","1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridine-3-acetic acid as a molecular probe for use in auxin physiology","Acta Crystallographica Section C","2000","56","8","1026","1027","10.1107/S0108270100007101","","","1.54184","CuKα","","0.106","0.041","","","","0.104","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011186","6.6305","0.0004","9.2888","0.0003","10.9828","0.0006","90","","104.837","0.005","90","","653.87","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Nitro-1,2,4-triazolyl-1-nitromethane","3-Nitro-1-nitromethyl-1H-1,2,4-triazole","","- C3 H3 N5 O4 -","- C3 H3 N5 O4 -","- C12 H12 N20 O16 -","4","1","AV1037","Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","3-Nitro-1-nitromethyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2000","56","8","999","1000","10.1107/S010827010000665X","","","1.54051","CuKα","","0.038","0.032","","","","0.087","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011187","7.5608","0.0002","9.0632","0.0002","12.7245","0.0003","69.481","0.001","82.764","0.001","76.229","0.002","792.29","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","3-(3-aminophthalimido)phthalic acid dihydrate","","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C32 H28 N4 O16 -","2","1","BK1528","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 3-(3-aminophthalimido)phthalic acid dihydrate","Acta Crystallographica Section C","2000","56","8","1021","1023","10.1107/S0108270100007083","","","0.71073","MoKα","","","0.049","","","","0.125","","","","","","1.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011188","9.138","0.001","10.793","0.002","8.249","0.001","90.76","0.01","94.26","0.01","65.75","0.01","739.6","0.19","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 F6 -","- C18 H10 F6 -","- C36 H20 F12 -","2","1","BK1534","Swenson, Dale C.; Gao, Xiaobang; Burton, Donald J.","(1<i>E</i>,3<i>E</i>,5<i>E</i>)-1,2,3,4,5,6-Hexafluoro-1,6-diphenylhexatriene","Acta Crystallographica Section C","2000","56","8","1040","1041","10.1107/S0108270100007502","","","0.71073","MoKα","","0.0802","0.0393","","","","0.1219","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011189","15.7883","0.0008","3.9239","0.0002","22.6063","0.0011","90","","105.767","0.001","90","","1347.8","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-3-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.0777","0.0543","","0.1412","","0.1263","","","0.89","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011190","10.413","0.002","7.599","0.0015","36.01","0.007","90","","90","","90","","2849.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-4-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C128 H112 N16 O24 -","8","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1622","0.0502","","0.2785","","0.1063","","","1.015","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011191","6.791","0.0014","10.204","0.002","12.185","0.002","113.2","0.03","98.97","0.03","95.53","0.03","754.9","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-3-nitroaniline","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1367","0.0401","","0.1961","","0.0936","","","0.987","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011192","6.165","0.0012","7.273","0.0015","17.158","0.003","90.7","0.03","100.1","0.03","91.37","0.03","757.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-4-nitroaniline","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.2117","0.0621","","0.2208","","0.1069","","","0.988","","","1.224","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011193","8.438","0.002","9.609","0.002","10.546","0.002","72.95","0.03","86.13","0.03","89.81","0.03","815.5","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-2-methyl- -4-nitroaniline","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C36 H38 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.182","0.0802","","0.3166","","0.2005","","","1.011","","","1.143","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011194","7.349","0.0015","9.252","0.0019","12.523","0.003","108.01","0.03","93.48","0.03","94.4","0.03","804.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","","- C16 H15 N3 O6 -","- C16 H15 N3 O6 -","- C32 H30 N6 O12 -","2","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.088","0.047","","","","0.156","","","","","","1.023","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2011195","10.04","0.006","7.733","0.003","25.62","0.013","90","","90","","90","","1989.1","1.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4-dimethylaminocinnamaldehyde","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.173","0.123","","","","0.257","","","","","","1.141","","","","has coordinates,has Fobs","277836","2022-09-14","17:02:02",""
"2011196","9.9534","0.001","10.53","0.003","13.837","0.002","90","0.02","110.942","0.01","90","0.02","1354.4","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(24R)-cycloartane-24,25-diol-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","BM1401","Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira","(24<i>R</i>)-24,25-Dihydroxycycloartan-3-one","Acta Crystallographica Section C","2000","56","8","979","980","10.1107/S0108270100004820","","","1.5418","CuKα","","0.0409","0.0399","","","","0.1136","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011197","6.8157","0.0008","8.3508","0.001","14.725","0.002","90","","100.119","0.01","90","","825.06","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(diethanolamine)bis(isothiocyanato)nickel(II)","Bis(2,2-́iminodiethanol)bis(isothiocyanato)nickel(II)","","- C10 H22 N4 Ni O4 S2 -","- C10 H22 N4 Ni O4 S2 -","- C20 H44 N8 Ni2 O8 S4 -","2","0.5","BM1413","Yilmaz, Veysel T.; Karadağ, Ahmet; Thöne, Carsten; Herbst-Irmer, Regine","<i>trans</i>-Bis(diethanolamine)bis(isothiocyanato)nickel(II)","Acta Crystallographica Section C","2000","56","8","948","949","10.1107/S0108270100007289","","","0.71073","MoKα","","0.0628","0.0335","","","","0.0711","","","","","","0.929","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011199","12.613","0.002","18.855","0.003","11.3048","0.0019","90.467","0.018","100.365","0.015","87.202","0.013","2641.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis-(2,10-phenanthroline-N,N')-(thiosulfato-O,S)-nickel(II) hydrate, methanol solvate","","- C25.4 H23.44 N4 Ni O5.32 S2 -","- C25.403 H16 N4 Ni O5.3225 S2 -","- C101.612 H64 N16 Ni4 O21.29 S8 -","4","2","DA1130","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/2/0.55)","Acta Crystallographica Section C","2000","56","8","926","929","10.1107/S0108270100006880","","","0.7107","MoKα","","0.09","0.042","","","","0.164","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011200","20.754","0.004","20.895","0.004","14.402","0.003","90","","132.919","0.012","90","","4573.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-(2,2'-bipyridyl-N,N')-(thiosulfato-O,S)-nickel(II), hydrate, methanol solvate","","- C20.55 H22.2 N4 Ni O5.55 S2 -","- C20.548 H22.192 N4 Ni O5.548 S2 -","- C164.384 H177.536 N32 Ni8 O44.384 S16 -","8","1","DA1130","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/2/0.55)","Acta Crystallographica Section C","2000","56","8","926","929","10.1107/S0108270100006880","","","0.71073","MoKα","","0.142","0.064","","","","0.183","","","","","","0.971","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011201","8.114","0.002","22.474","0.004","16.642","0.003","90","","96.08","0.02","90","","3017.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-N,O,N')cadmium(II)] trihydrate","","- C22 H26 Br4 Cd2 N4 O7 -","- C22 H26 Br4 Cd2 N4 O7 -","- C88 H104 Br16 Cd8 N16 O28 -","4","0.5","DA1134","Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming","Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-<i>N</i>,<i>O</i>,<i>N</i>')cadmium(II)] trihydrate","Acta Crystallographica Section C","2000","56","8","969","970","10.1107/S010827010000754X","","","0.71073","MoKα","","0.067","0.04","","","","0.08","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011202","8.483","0.002","15.994","0.003","10.988","0.002","90","","104.5","0.03","90","","1443.3","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenylmethanol - triphenylphosphinoxide","","- C37 H31 O2 P -","- C37 H30.98 O2 P -","- C74 H61.96 O4 P2 -","2","0.5","DE1126","Steiner, Thomas","Triphenylmethanol‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section C","2000","56","8","1033","1034","10.1107/S0108270100007423","","","0.71073","MoKα","","0.1162","0.0686","","","","0.1604","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011203","7.577","0.002","8.03","0.002","13.464","0.003","76.6","0.03","89.17","0.03","82.6","0.03","790.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-hexamethylenetetramine)bis(aquadi(μ~2~-bromo)- cadmium)diaquadibromocadmium dihydrate","","- C12 H36 Br6 Cd3 N8 O6 -","- C12 H36 Br6 Cd3 N8 O6 -","- C12 H36 Br6 Cd3 N8 O6 -","1","0.5","DE1139","Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming","Bis(μ-hexamethylenetetramine)bis(aquadibromocadmium)diaquadibromocadmium dihydrate","Acta Crystallographica Section C","2000","56","8","960","962","10.1107/S0108270100007435","","","0.71073","MoKα","","0.0703","0.0433","","","","0.1037","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011204","12.1918","0.0006","6.5318","0.0003","22.0382","0.0008","90","","93.985","0.003","90","","1750.76","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ranitidine","N-(2-{[5-(Dimethylaminomethyl)-2-furanyl]methylthio}ethyl)-N' -methyl-2-nitro-1,1-ethanediamine hydrochloride","","- C13 H23 Cl N4 O3 S -","- C13 H23 Cl N4 O3 S -","- C52 H92 Cl4 N16 O12 S4 -","4","1","FG1581","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Ranitidine hydrochloride, a polymorphic crystal form","Acta Crystallographica Section C","2000","56","8","1048","1049","10.1107/S010827010000785X","","","0.71073","MoKα","","0.0785","0.0416","","","","0.1304","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011205","6.4268","0.0003","14.342","0.0012","10.7559","0.0006","90","","90.618","0.004","90","","991.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Hydroxyphenyl)iminomethyl]thiophene","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","FR1266","Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoĝlu, Mustafa; Özbey, Süheyla; Büyükgüngör, Orhan","2-[(4-Hydroxyphenyl)iminomethyl]thiophene","Acta Crystallographica Section C","2000","56","8","1044","1045","10.1107/S0108270100007770","","","1.5418","CuKα","","0.048","0.046","","","","0.125","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011206","9.647","0.006","12.675","0.006","16.359","0.005","90","","93.77","0.04","90","","1996","1.7","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","clemizoledichlorocobalt(II)","Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']Cobalt(II)","","- C19 H20 Cl3 Co N3 -","- C19 H20 Cl3 Co N3 -","- C76 H80 Cl12 Co4 N12 -","4","1","FR1273","Parvez, Masood; Braitenbach, Kristin","Clemizoledichlorocobalt(II)","Acta Crystallographica Section C","2000","56","8","919","920","10.1107/S0108270100005710","","","0.71069","MoKα","","0.188","0.043","","","","0.136","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011207","8.9719","0.0002","10.7632","0.0002","10.8399","0.0002","92.9965","0.001","90.1788","0.001","113.367","0.0009","959.28","0.03","193","","193","","","","","","","","","3","P -1","-P 1","2","diethyl 5, 6, 5',6'-tetramethylbiphenyl-2, 2'-dicarboxylate #","","","- C22 H26 O4 -","- C22 H26 O4 -","- C44 H52 O8 -","2","1","FR1277","Gerkin, Roger E.","C—H···O interactions in diethyl 5,5',6,6'-tetramethylbiphenyl-2,2'-dicarboxylate at 193K","Acta Crystallographica Section C","2000","56","8","1024","1025","10.1107/S0108270100007022","","","0.71073","MoKα","","","0.05","","","","0.125","","","","","","1.94","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011208","6.1716","0.0009","11.7924","0.0014","13.2197","0.0014","97.731","0.01","97.109","0.012","97.353","0.012","935.7","0.2","173","","173","2","","","","","","","","3","P -1","-P 1","2","2,4-bis(α,α-dimethylbenzyl)phenol","","","- C24 H26 O -","- C24 H26 O -","- C48 H52 O2 -","2","1","FR1283","Bryan, Jeffrey C.","2,4-Bis(α,α-dimethylbenzyl)phenol","Acta Crystallographica Section C","2000","56","8","1046","1047","10.1107/S0108270100007782","","","0.71073","MoKα","","0.055","0.04","","","","0.11","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011209","7.451","0.003","19.709","0.006","18.587","0.008","90","","90","","90","","2729.5","1.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27, 29-hexaene pentahydrate","","- C24 H48 N6 O5 -","- C24 H48 N6 O5 -","- C96 H192 N24 O20 -","4","0.5","GD1091","He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen","3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate","Acta Crystallographica Section C","2000","56","8","1019","1020","10.1107/S0108270100007095","","","0.71073","MoKα","","0.0879","0.0638","","","","0.1966","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2011210","12.525","0.002","12.736","0.002","10.033","0.002","94.64","0.01","102.51","0.01","109.32","0.01","1454.1","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H84 Cu3 N2 O12 -","- C50 H84 Cu3 N2 O12 -","- C50 H84 Cu3 N2 O12 -","1","0.5","GD1098","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'-[bis(2,6-dimethylpyridine-<i>N</i>)copper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'] and tetrakis(μ-2,2-dimethylpropanoato-<i>O</i>:<i>O</i>')bis[(2,6-dimethylpyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","8","923","925","10.1107/S0108270100006697","","","0.71073","MoKα","","","0.045","","","","0.115","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011211","10.986","0.004","11.195","0.005","9.564","0.004","107.66","0.04","97.15","0.04","61.82","0.03","987.7","0.8","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 Cu2 N2 O8 -","- C34 H54 Cu2 N2 O8 -","- C34 H54 Cu2 N2 O8 -","1","0.5","GD1098","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'-[bis(2,6-dimethylpyridine-<i>N</i>)copper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'] and tetrakis(μ-2,2-dimethylpropanoato-<i>O</i>:<i>O</i>')bis[(2,6-dimethylpyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","8","923","925","10.1107/S0108270100006697","","","0.71073","MoKα","","","0.048","","","","0.152","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011212","15.59","0.002","10.889","0.002","11.87","0.001","90","","95.982","0.01","90","","2004.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cl2 N4 Sn -","- C17 H24 Cl2 N4 Sn -","- C68 H96 Cl8 N16 Sn4 -","4","0.5","GG1001","Casas, José S.; García-Martínez, Emilia; García-Tasende, Soledad; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Vidarte, María José","Dichlorobis(3,5-dimethylpyrazole-<i>N</i>^2^)methylphenyltin(IV)","Acta Crystallographica Section C","2000","56","8","932","933","10.1107/S0108270100007058","","","0.71073","MoKα","","0.0516","0.0273","","","","0.0626","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011213","22.736","0.005","30.654","0.006","8.799","0.002","90","","90","","90","","6132","2","150","2","","","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C196 H240 As16 Cl4 F48 N16 O20 P8 Re4 Ru4 -","4","1","GG1004","Coe, Benjamin J.; McDonald, Christopher I.; Coles, Simon J.; Hursthouse, Michael B.","<i>fac</i>,<i>trans</i>-[(2,2'-Bipyridine-<i>N</i>,<i>N</i>')tricarbonylrhenium(I)]-μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate","Acta Crystallographica Section C","2000","56","8","963","965","10.1107/S0108270100008076","","","0.71073","MoKα","","","0.0514","","","","0.1147","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","198632","2020-10-21","18:00:00",""
"2011214","12.983","0.001","11.435","0.001","17.028","0.002","90","","95.35","0.02","90","","2517","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 O2 P -","- C30 H27 O2 P -","- C120 H108 O8 P4 -","4","1","GS1084","Muthuraman, Meiyappan; Nicoud, Jean-François; Masse, René; Desiraju, Gautam R.","Benzyltriphenylphosphonium glutaconaldehyde","Acta Crystallographica Section C","2000","56","8","986","988","10.1107/S0108270100005862","","","0.5608","AgKα","","0.054","0.054","","0.051","","0.051","","","1.996","","","2","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011215","5.386","0.0005","11.47","0.002","27.539","0.003","90","","90","","90","","1701.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Piv-Proψ[CH2-NH-O]Gly-NH^i^Pr","(S)-N-(tert-butylcarbonyl)-2-[[O-(N-isopropylacetamidyl)] -hydroxylaminomethylene]-pyrrolidine","","- C15 H29 N3 O3 -","- C15 H29 N3 O3 -","- C60 H116 N12 O12 -","4","1","GS1085","Corbier, Catherine; Didierjean, Claude; Thévenet, Laurent; Vanderesse, Regis; Marraud, Michel","Piv-Proψ[CH~2~‒NH‒O]Gly‒NH^<i>i^</i>Pr","Acta Crystallographica Section C","2000","56","8","995","996","10.1107/S0108270100006478","","","1.5406","CuKα","","0.059","0.0541","","","","0.1573","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011216","16.024","0.003","17.073","0.003","16.067","0.003","90","","106.75","0.03","90","","4209.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 N2 O4 -","- C47 H66 N2 O4 -","- C188 H264 N8 O16 -","4","1","GS1087","Leverd, Pascal C.; Weber, Dirk; Habicher, Wolf D.; Nierlich, Martine","Inclusion of HNEt~3~^+^ in an acyclic tetraphenolate","Acta Crystallographica Section C","2000","56","8","997","998","10.1107/S0108270100006582","","","0.71073","MoKα","","0.0906","0.0508","","","","0.123","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011217","21.387","0.005","7.9328","0.001","15.184","0.003","90","","90.657","0.01","90","","2575.9","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Cerous sodium nitrate monohydrate","disodium cerium pentanitrate monohydrate","","- Ce N5 Na2 O16 -","- Ce N5 Na2 O16 -","- Ce8 N40 Na16 O128 -","8","2","GS1089","Audebrand, Nathalie; Louër, Daniel","Cerous sodium nitrate monohydrate, Na~2~Ce(NO~3~)~5~·H~2~O","Acta Crystallographica Section C","2000","56","8","913","915","10.1107/S0108270100006211","","","0.71073","MoKα","","0.088","0.026","","","","0.062","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011218","14.345","0.001","5.6905","0.0007","18.714","0.001","90","","96.064","0.009","90","","1519.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YC-1","1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","GS1090","Sopková-de Oliveira Santos, Jana; Collot, Valérie; Bureau, Isabelle; Rault, Sylvain","YC-1, an activation inductor of soluble guanylyl cyclase","Acta Crystallographica Section C","2000","56","8","1035","1036","10.1107/S0108270100007393","","","0.71073","MoKα","","0.0683","0.0448","","","","0.1395","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011219","11.0434","0.0005","11.0028","0.0003","12.746","0.0006","90","0.001","90","0.001","90","0.001","1548.75","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.041","","","","0.058","","","","","","1.319","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011220","8.261","0.0003","12.5168","0.0005","14.9291","0.0003","90","0.001","90","0.001","90","0.001","1543.69","0.09","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.039","","","","0.06","","","","","","1.309","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011221","14.453","0.003","10.3993","0.0013","25.371","0.002","90","","94.366","0.001","90","","3802.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Cl Cu N2 O2 -","- C22 H17 Cl Cu N2 O2 -","- C176 H136 Cl8 Cu8 N16 O16 -","8","1","GS1092","Elerman, Yalc̨ın; Kara, Hülya; Özcan, Sabahat; Kendi̇, Engin","(Benzoylacetonato)chloro(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","2000","56","8","950","951","10.1107/S0108270100007411","","","1.5418","CuKα","","0.0565","0.0526","","","","0.1574","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011222","18.5099","0.0002","15.0831","0.0002","18.5766","0.0002","90","","90.5023","0.0006","90","","5186.14","0.1","110","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H126 N6 O24 Ru -","- C110 H126 N6 O24 Ru -","- C220 H252 N12 O48 Ru2 -","2","1","GS1094","Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard","Bis[(<i>R</i>)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K","Acta Crystallographica Section C","2000","56","8","955","956","10.1107/S0108270100007952","","","0.71069","MoKα","","0.049","0.039","","","","0.103","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011223","7.152","0.002","8.806","0.003","14.004","0.004","90","","95.6","0.02","90","","877.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate","","- C2 H10 O10 V -","- C2 H10 O10 V -","- C8 H40 O40 V4 -","4","1","JZ1392","Belaj, Ferdinand; Basch, Angelika; Udo Muster","Triaqua(oxalato-<i>O</i>,<i>O</i>')oxovanadium(IV) dihydrate","Acta Crystallographica Section C","2000","56","8","921","922","10.1107/S0108270100006491","","","0.71069","MoKα","","0.036","0.031","","","","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011224","7.0662","0.0016","22.083","0.003","40.141","0.005","90","","90","","90","","6263.7","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-acetoxy-12-oxo-18β-olean-28-oate","","- C33 H52 O5 -","- C33 H52 O5 -","- C264 H416 O40 -","8","2","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.088","0.044","","","","0.13","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011225","7.9348","0.0008","15.8841","0.001","12.148","0.0008","90","","99.041","0.007","90","","1512.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3β-acetoxy-12,19-dioxoolean-9(11),13(18)-dien-28-oate","","- C33 H46 O6 -","- C33 H46 O6 -","- C66 H92 O12 -","2","1","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.034","0.032","","","","0.092","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011226","4.8995","0.001","11.33","0.0013","23.82","0.003","90","","90","","90","","1322.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","JZ1397","Gzella, Andrzej; Rozwadowska, Maria D.","(4<i>S</i>,5<i>S</i>)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","Acta Crystallographica Section C","2000","56","8","981","982","10.1107/S0108270100006818","","","1.54178","CuKα","","0.032","0.0289","","","","0.0817","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011227","16.611","0.003","16.611","0.003","10.6471","0.0013","90","","90","","120","","2544.2","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","2'-Deoxy-5-methylisocytidine","2-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C90 H135 N27 O36 -","9","1","JZ1402","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","2'-Deoxy-5-methylisocytidine","Acta Crystallographica Section C","2000","56","8","989","991","10.1107/S0108270100006247","","","0.71073","MoKα","","0.044","0.039","","","","0.096","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011228","7.804","0.0003","7.9946","0.0003","8.987","0.0003","106.331","0.003","108.534","0.003","105.041","0.003","471.17","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 N10 Ni O4 S2 -","- C12 H12 N10 Ni O4 S2 -","- C12 H12 N10 Ni O4 S2 -","1","0.5","","Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.","Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^} bis(thiocyanato-N)nickel(II)","Acta Crystallographica, Section C","2000","56","","934","935","10.1107/S0108270100007198","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011229","20.012","0.008","8.929","0.003","16.473","0.005","90","","93.34","0.04","90","","2938.5","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl (1-Methyl-5-benzimidazolyl)aminomethylenepropanedioate Monohydrate","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C112 H136 N24 O40 -","8","1","NA1459","Kettmann, Viktor; Lokaj, Jan; Kratky, Christoph; Milata, Viktor; Hodul, Pavol","Dimethyl (1-methyl-1,3-benzimidazol-5-yl)aminomethylenepropanedioate monohydrate","Acta Crystallographica Section C","2000","56","8","1007","1008","10.1107/S0108270100006995","","","0.71073","MoKα","","0.1367","0.0609","","0.1749","","0.1435","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011230","9.0967","0.0014","8.8122","0.0013","12.5396","0.0014","90","","94.91","0.01","90","","1001.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4-Pyridineethanesulfonato-N) Tetraaquazinc","","- C14 H24 N2 O10 S2 Zn -","- C14 H24 N2 O10 S2 Zn -","- C28 H48 N4 O20 S4 Zn2 -","2","0.5","NA1464","Zeng, Xi-Rui; Xiong, Ren-Geng; Xu, Yan; Liu, Yong-Jiang; You, Xiao-Zeng","Tetraaquabis[2-(4-pyridyl)ethanesulfonato-<i>N</i>]zinc(II)","Acta Crystallographica Section C","2000","56","8","943","944","10.1107/S0108270100007964","","","0.71073","MoKα","","0.037","0.0329","","","","0.0915","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011231","7.713","0.002","10.653","0.003","12.535","0.003","108.08","0.05","101.01","0.04","101.51","0.06","923.4","0.6","293","3","293","3","","","","","","","","6","P -1","-P 1","2","","[2,6-diacetylpyridine bis(S-methylisothiosemicarbazone)]iodonickel(II)","","- C13 H18 I N7 Ni S2 -","- C13 H18 I N7 Ni S2 -","- C26 H36 I2 N14 Ni2 S4 -","2","1","NA1472","Leovac, Vukadin M.; Bogdanović, Goran A.; Češljević, Valerija I.; Divjaković, Vladimir","Transition metal complexes with thiosemicarbazide-based ligands. XV. A square-pyramidal Ni^<b>II^</b> complex with an asymmetric coordination of 2,6-diacetylpyridine bis(<i>S</i>-methylisothiosemicarbazone)","Acta Crystallographica Section C","2000","56","8","936","938","10.1107/S0108270100007228","","","0.71073","MoKα","","0.0338","0.027","","0.0733","","0.0701","","","","","","1.356","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011232","26.23","0.005","5.881","0.0012","11.448","0.002","90","","90","","90","","1766","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","VENLAFAXINE HYDROCHLORIDE","1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride (Venlafaxine Hydrochloride)","","- C17 H28 Cl N O2 -","- C17 H28 Cl N O2 -","- C68 H112 Cl4 N4 O8 -","4","1","","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride)","Acta Crystallographica Section C Crystal Structure Communications","2000","56","8","1009","1010","10.1107/S0108270100007009","","","0.71073","MoKα","","0.0917","0.0434","","","","0.1491","","","","","","1.046","","","","has coordinates","246016","2020-10-21","18:00:00",""
"2011233","14.5439","0.0002","9.7314","0.0003","9.0181","0.0003","90","","110.938","0.001","90","","1192.07","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-dibenzoylhydrazine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","0.5","NA1474","Shanmuga Sundara Raj, S; Yamin, Bohari M; Boshaala, Ahmed M.A.; Tarafder, M.T.H; Fun, Hoong-Kun","1,2-Dibenzoylhydrazine","Acta Crystallographica Section C","2000","56","8","1011","1012","10.1107/S0108270100007010","","","0.71073","MoKα","","0.0801","0.0534","","","","0.164","","","","","","0.959","","","","has coordinates,has Fobs","266859","2021-07-01","07:43:50",""
"2011234","7.306","0.002","7.759","0.002","13.141","0.003","89.28","0.02","79.34","0.02","75.63","0.02","708.7","0.3","213","","213","","","","","","","","","4","P -1","-P 1","2","tetraethylammonium hydroxide pentahydrate","tetraethylammonium hydroxide-water (1/5)","","- C8 H31 N O6 -","- C8 H31 N O6 -","- C16 H62 N2 O12 -","2","1","NA1475","Wiebcke, Michael; Felsche, Jürgen","NEt~4~OH·5H~2~O containing hydroxide‒water layers","Acta Crystallographica Section C","2000","56","8","1050","1052","10.1107/S0108270100007976","","","0.71073","MoKα","","0.092","0.04","","","","0.108","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011235","11.9398","0.0006","11.8595","0.0006","11.3972","0.0006","90","","116.389","0.001","90","","1445.68","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Methoxybenzaldehyde Benzoylhydrazone Monohydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","NA1476","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming","<i>p</i>-Methoxybenzaldehyde benzoylhydrazone monohydrate","Acta Crystallographica Section C","2000","56","8","1013","1014","10.1107/S010827010000799X","","","0.71073","MoKα","","0.0992","0.0529","","","","0.1198","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011236","7.679","0.004","7.004","0.005","10.372","0.005","90","","107.43","0.04","90","","532.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","O-Isopropyl N-(2-furoyl)thiocarbamate","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","0.5","NA1477","Morales, Angel Dago; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Hernández, Ramón Pomés","<i>O</i>-Isopropyl <i>N</i>-(2-furoyl)thiocarbamate","Acta Crystallographica Section C","2000","56","8","1042","1043","10.1107/S0108270100007514","","","0.71073","MoKα","","0.169","0.055","","","","0.134","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011237","7.513","0.0002","26.9091","0.0005","7.9141","0.0001","90","","90","","90","","1599.98","0.06","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Methoxy-4-hydroxyl-benzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","","- C19 H14 N4 O2 -","- C19 H14 N4 O2 -","- C76 H56 N16 O8 -","4","1","NA1478","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming","4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone","Acta Crystallographica Section C","2000","56","8","1015","1016","10.1107/S0108270100007988","","","0.71073","MoKα","","0.0593","0.0405","","","","0.0932","","","","","","0.931","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011238","13.1846","0.0006","13.1846","0.0006","8.8493","0.0006","90","","90","","90","","1538.31","0.14","193","2","193","2","","","","","","","","6","I -4","I -4","82","","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","","- C25 H20 Cl4 O8 S4 Si -","- C25 H20 Cl4 O8 S4 Si -","- C50 H40 Cl8 O16 S8 Si2 -","2","0.25","OA1098","Han, Bong-Hwan; Choi, Moon-Gun","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","Acta Crystallographica Section C","2000","56","8","1001","1003","10.1107/S0108270100006740","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011239","6.449","0.002","8.638","0.002","28.414","0.017","90","","90.48","0.04","90","","1582.8","1.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PCH3ON2","4-phenyl-2-[4-Methoxyphenyldiazenyl]phenol","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","OB1031","Jiménez-Cruz, Federico; Pérez-Caballero, Guadalupe; Hernández-Ortega, Simón; Rubio-Arroyo, Manuel","2-(4-Methoxyphenylazo)-4-phenylphenol","Acta Crystallographica Section C","2000","56","8","1028","1029","10.1107/S0108270100007307","","","0.71073","MoKα","","0.1232","0.0482","","","","0.1268","","","","","","0.767","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011240","16.5579","0.0019","10.9208","0.0013","16.5426","0.0019","90","","114.748","0.008","90","","2716.6","0.6","293","2","303","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)","","- C27 H26 Cl3 O P2 Re -","- C27 H26 Cl3 O P2 Re -","- C108 H104 Cl12 O4 P8 Re4 -","4","1","OS1104","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo","[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)","Acta Crystallographica Section C","2000","56","8","930","931","10.1107/S0108270100006983","","","0.71069","MoKα","","0.0396","0.0261","","","","0.0717","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011241","9.082","0.001","9.789","0.002","5.741","0.008","104.92","0.01","93.2","0.01","109.06","0.01","460.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2-dimethyl-1,3-propanediammonium chromate","","- C5 H16 Cr N2 O4 -","- C5 H16 Cr N2 O4 -","- C10 H32 Cr2 N4 O8 -","2","1","QA0286","Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed","Chromate de 2,2-diméthylpropylènediammonium","Acta Crystallographica Section C","2000","56","8","e333","e334","10.1107/S0108270100009677","","","0.71069","MoKα","","0.048","0.035","","","","0.088","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011242","13.7053","0.0012","13.9751","0.0012","14.4614","0.0012","80.665","0.002","87.283","0.002","87.942","0.002","2729","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate","","- C60 H54 Au N4 O P3 S3 -","- C60 H52 Au N4 O P3 S3 -","- C120 H104 Au2 N8 O2 P6 S6 -","2","1","QA0302","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","(4,6-Dimercapto-1,3,5-triazine-2-thiolato-<i>S</i>^2^)tris(triphenylphosphine-<i>P</i>)gold(I) dimethylformamide solvate","Acta Crystallographica Section C","2000","56","8","e331","e332","10.1107/S0108270100009665","","","0.71073","MoKα","","0.062","0.045","","","","0.113","","","","","","0.967","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2011243","10.73","0.002","9.659","0.002","15.287","0.003","90","","92.49","0.02","90","","1582.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2-Hydroxy-4-methylphenyl)bis(4-methylphenyl)phosphine Oxide","","- C19 H17 O2 P -","- C19 H17 O2 P -","- C76 H68 O8 P4 -","4","1","QA0310","Bélanger-Gariépy, Francine; Dartiguenave, Michèle; Loiseau, Frédérique; Beauchamp, André L.","(2-Hydroxy-5-methylphenyl)diphenylphosphine oxide","Acta Crystallographica Section C","2000","56","8","e338","e339","10.1107/S0108270100008878","","","1.54178","CuKα","","0.039","0.035","","0.104","","0.103","","","1.045","","","1.092","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011244","10.359","0.001","12.693","0.002","10.102","0.007","97.49","0.03","91.42","0.02","94.96","0.01","1311.1","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 Hf -","- C31 H36 Hf -","- C62 H72 Hf2 -","2","1","QA0315","Swenson, Dale C.; Guo, Zhaoyu; Crowther, Donna J.; Baenziger, Norman C.; Jordan, Richard F.","Tribenzyl(η^5^-pentamethylcyclopentadienyl)hafnium(IV)","Acta Crystallographica Section C","2000","56","8","e313","e314","10.1107/S010827010000888X","","","0.71073","MoKα","","0.036","0.029","","","","0.079","","","","","","1.068","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011245","20.647","0.002","11.835","0.001","17.275","0.002","90","","96.253","0.005","90","","4196.2","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepin- 3-thiolato-κ^2^N^4^,S)ruthenium","","- C21 H24 Cl N3 O Ru S -","- C21 H24 Cl N3 O Ru S -","- C168 H192 Cl8 N24 O8 Ru8 S8 -","8","2","QA0323","Aitali, Mustapha; Ait Itto, My Youssef; Hasnaoui, Aisa; Riahi, Abdelkhalek; Karim, Abdellah; García-Granda, Santiago; Gutiérrez-Rodríguez, Angel","Chloro(η^6^-<i>p</i>-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2<i>H</i>-1,2,4-triazepine-3-thiolato-κ^2^<i>N</i>^4^,<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2000","56","8","e315","e316","10.1107/S0108270100008891","","","1.54184","CuKα","","0.051","0.049","","","","0.119","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011246","13.0428","0.0006","15.053","0.0011","21.0245","0.0015","90","","103.05","0.004","90","","4021.2","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate","","- C38 H35 B2 F8 N4 O2 P Ru -","- C38 H35 B2 F8 N4 O2 P Ru -","- C152 H140 B8 F32 N16 O8 P4 Ru4 -","4","1","QA0326","Venegas-Yazigi, Diego; Lever, A. B. P.; Lough, Alan J.; Vega, Andrés; Paredes-García, Verónica; Costamagna, Juan; Latorre, Ramón","Aquabis(benzonitrile)(<i>o</i>-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate","Acta Crystallographica Section C","2000","56","8","e323","e324","10.1107/S0108270100009215","","","0.71073","MoKα","","0.099","0.056","","","","0.167","","","","","","1.022","","","","has coordinates,has Fobs","191022","2020-10-21","18:00:00",""
"2011247","6.308","0.004","6.892","0.004","10.875","0.007","74.57","0.01","73.78","0.01","64.41","0.01","403.6","0.4","173","","173","2","","","","","","","","3","P -1","-P 1","2","","cis-4-cyclohexene-1,2-dicarboxylic acid","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","QA0328","Bolte, Michael; Degen, Alexander","Redetermination of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid at 173K","Acta Crystallographica Section C","2000","56","8","e340","e340","10.1107/S0108270100008908","","","0.71073","MoKα","","0.085","0.052","","","","0.127","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011248","19.401","0.008","22.383","0.009","20.805","0.009","90","","107.89","0.04","90","","8598","6","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate","","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C288 H272 Cl80 Cu4 D24 N8 O8 P8 -","4","1","QA0329","Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka","{2,2'-[(<i>R</i>,<i>R</i>)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-<i>tert</i>-butyl-4-(triphenylphosphoniomethyl)phenolato]-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) dichloride hexakis(deuterochloroform) solvate","Acta Crystallographica Section C","2000","56","8","e321","e322","10.1107/S0108270100009203","","","0.71073","MoKα","","0.108","0.067","","","","0.188","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011249","11.0632","0.0005","15.8711","0.0009","9.9597","0.0004","90","","97.559","0.003","90","","1733.58","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-carboxybenzeneammonium) sulfate monohydrate","bis(anthranilium) sulfate monohydrate","","- C14 H18 N2 O9 S -","- C14 H18 N2 O9 S -","- C56 H72 N8 O36 S4 -","4","1","QA0330","Slouf, Miroslav","Bis(2-carboxyanilinium) sulfate monohydrate","Acta Crystallographica Section C","2000","56","8","e353","e353","10.1107/S010827010000915X","","","0.7107","MoKα","","0.08","0.053","","","","0.14","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011250","7.6624","0.0006","5.5762","0.0004","15.2489","0.0011","90","","90","","90","","651.54","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","phenylphosphinic acid","","- C6 H7 O2 P -","- C6 H7 O2 P -","- C24 H28 O8 P4 -","4","1","QA0333","Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani","Phenylphosphinic acid","Acta Crystallographica Section C","2000","56","8","e357","e358","10.1107/S0108270100009227","","","0.71073","MoKα","","0.049","0.038","","","","0.089","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011251","9.727","0.002","16.632","0.004","7.104","0.002","90","","90","","90","","1149.3","0.5","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","1","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.025","0.023","","","","0.064","","","","","","1.107","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011252","8.496","0.004","18.53","0.006","7.226","0.002","90","","90.81","0.04","90","","1137.5","0.7","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","2","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.07","0.049","","","","0.133","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011253","9.131","0.002","22.09","0.005","7.175","0.003","90","","90.67","0.03","90","","1447.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-butylammonium dihydrogenphosphate","","- C3 H12 N O4 P -","- C3 H12 N O4 P -","- C24 H96 N8 O32 P8 -","8","2","QA0335","Fábry, Jan; Císařová, Ivana; Kroupa, Jan","Ferroelastic <i>n</i>-propylammonium dihydrogenphosphate","Acta Crystallographica Section C","2000","56","8","e359","e360","10.1107/S0108270100009598","","","0.71073","MoKα","","0.082","0.034","","0.039","","0.039","","","1.39","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011254","9.438","0.002","8.529","0.002","16.503","0.003","90","","98.38","0.03","90","","1314.3","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6R)-6-(3'β-acetoxy-5'-androsten-17'β-yl)-2-phenyl- 5,6-dihydro-4H-[1,3]oxazine","","- C31 H41 N O3 -","- C31 H41 N O3 -","- C62 H82 N2 O6 -","2","1","QA0336","Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula","A steroidal phenyldihydro-1,3-oxazine derivative","Acta Crystallographica Section C","2000","56","8","e363","e364","10.1107/S0108270100009628","","","0.71073","MoKα","","0.042","0.035","","","","0.083","","","","","","1.076","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011255","17.0545","0.001","10.5812","0.0006","15.9456","0.0007","90","","91.332","0.006","90","","2876.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate","Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate","","- C30 H24 Cl2 Fe N6 O8 -","- C30 H24 Cl2 Fe N6 O8 -","- C120 H96 Cl8 Fe4 N24 O32 -","4","0.5","QA0337","Batten, Stuart R.; Murray, Keith S.; Sinclair, Nathan J.","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')iron(II) diperchlorate","Acta Crystallographica Section C","2000","56","8","e320","e320","10.1107/S0108270100009185","","","0.71073","MoKα","","0.118","0.061","","","","0.137","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011256","12.874","0.004","13.76","0.005","24.974","0.007","98.82","0.03","93.97","0.02","117.8","0.03","3817","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","methyltriphenylstibonium tetrafluoroborate","","- C19 H18 B F4 Sb -","- C19 H18 B F4 Sb -","- C152 H144 B8 F32 Sb8 -","8","4","QA0338","Low, John Nicolson; Ferguson, George; Wardell, James L.","Methyltriphenylstibonium tetrafluoroborate","Acta Crystallographica Section C","2000","56","8","e317","e317","10.1107/S0108270100008945","","","0.7093","MoKα","","0.11","0.057","","","","0.181","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011257","14.061","0.005","6.644","0.003","21.018","0.01","90","","96.82","0.03","90","","1949.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2-(1-3H-Indenyl)ethyl]-diphenylphosphineborane","","- C23 H24 B P -","- C23 H24 B P -","- C92 H96 B4 P4 -","4","1","QA0339","Groux, Laurent F.; Zargarian, Davit","[2-(1<i>H</i>-Inden-3-yl)ethyl]diphenylphosphine‒borane","Acta Crystallographica Section C","2000","56","8","e366","e367","10.1107/S0108270100009690","","","1.54056","CuKα","","0.099","0.037","","0.078","","0.067","","","0.642","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011258","9.3965","0.0002","10.5437","0.0003","13.2813","0.0004","109.612","0.0016","90.009","0.002","103.902","0.002","1198.48","0.06","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 N O2 S -","- C26 H35 N O2 S -","- C52 H70 N2 O4 S2 -","2","1","QA0340","Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>N</i>-Benzyl-4-methyl-<i>N</i>-[(3a<i>R</i>*,4<i>R</i>*,7a<i>R</i>*)-6,6,7a-trimethylperhydroinden-4-yl]benzenesulfonamide","Acta Crystallographica Section C","2000","56","8","e352","e352","10.1107/S0108270100009148","","","0.71073","MoKα","","0.078","0.044","","","","0.123","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011259","16.259","0.0006","8.0575","0.0002","14.7794","0.0006","90","","121.967","0.002","90","","1642.58","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","0.5","QA0342","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Chen, Zhen-Feng; Zhang, Jing; Xiong, Ren-Gen; You, Xiao-Zeng","3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione","Acta Crystallographica Section C","2000","56","8","e341","e342","10.1107/S010827010000891X","","","0.71073","MoKα","","0.112","0.055","","","","0.146","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011260","6.66","0.001","31.984","0.008","7.123","0.002","90","","114.93","0.02","90","","1375.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methoxy-3-(salicylideneamino)coumarin","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","QA0343","Khoo, Lian Ee; Zhang, Yiqun; Ng, Seik Weng","7-Methoxy-3-(salicylideneamino)coumarin","Acta Crystallographica Section C","2000","56","8","e350","e351","10.1107/S0108270100009136","","","0.71073","MoKα","","0.108","0.056","","","","0.172","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011261","6.8821","0.0002","13.4754","0.0004","12.0807","0.0004","90","","100.338","0.0019","90","","1102.16","0.06","291","1","291","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","QA0344","Roggenbuck, Rafael; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(5<i>S</i>*,6<i>R</i>*)-1,7-Dioxadispiro[4.0.4.4]tetradecane-2,8-dione","Acta Crystallographica Section C","2000","56","8","e356","e356","10.1107/S0108270100009173","","","0.71073","MoKα","","0.073","0.038","","","","0.101","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011262","8.8863","0.0019","8.8863","0.0019","21.299","0.006","90","","90","","90","","1681.9","0.7","168","2","168","2","","","","","","","","6","P 41","P 4w","76","","(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide","","- C15 H21 Br Cl N O -","- C15 H21 Br Cl N O -","- C60 H84 Br4 Cl4 N4 O4 -","4","1","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.071","0.053","","","","0.133","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011263","13.9","0.004","14.648","0.005","15.553","0.005","90","","90","","90","","3166.7","1.7","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3S)-3-Bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide","","- C15 H12 Br Cl N2 O3 -","- C15 H12 Br Cl N2 O3 -","- C120 H96 Br8 Cl8 N16 O24 -","8","2","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.052","0.033","","","","0.066","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011264","21.079","0.002","10.324","0.004","15.8637","0.0018","90","","109.78","0.009","90","","3248.6","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H30 Mo6 Nd2 O38 Pt -","- Mo6 Nd2 O38 Pt -","- Mo24 Nd8 O152 Pt4 -","4","0.5","QA0346","Lee, Uk; Joo, Hea Chung","Dineodymium dihydrogen α-hexamolybdoplatinate(IV) tetradecahydrate, Nd~2~[H~2~α-PtMo~6~O~24~]·14H~2~O","Acta Crystallographica Section C","2000","56","8","e311","e312","10.1107/S0108270100009689","","","0.71069","MoKα","","0.081","0.05","","","","0.12","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011265","44.44","0.02","9.651","0.004","19.527","0.007","90","","111.7","0.03","90","","7781","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)","","- C43 H33 Ag N2 O6 P2 -","- C43 H33 Ag N2 O6 P2 -","- C344 H264 Ag8 N16 O48 P16 -","8","1","QA0348","Othman, Abdul Hamid; Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng","Trigonal‒planar silver coordination in (3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","2000","56","8","e318","e319","10.1107/S0108270100008957","","","0.71073","MoKα","","0.069","0.042","","","","0.11","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011266","9.23","0.008","10.907","0.006","12.056","0.012","112.68","0.06","95.2","0.07","106.05","0.06","1049.2","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S2 -","- C26 H20 N2 S2 -","- C52 H40 N4 S4 -","2","1","QA0350","Sen, Liao; Su, Cheng-Yong; Zhang, Ze-Fu; Liu, Han-Qin; Zhu, Hai-Liang","1,2-Bis(8-quinolylthiomethyl)benzene","Acta Crystallographica Section C","2000","56","8","e348","e349","10.1107/S0108270100009124","","","0.71073","MoKα","","0.082","0.046","","","","0.111","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011267","19.6683","0.0016","18.7739","0.0016","19.8049","0.0017","90","","117.201","0.001","90","","6504.2","0.9","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B F15 In N2 O -","- C32.0025 H23 B F15 In N2 O -","- C256.02 H184 B8 F120 In8 N16 O8 -","8","2","QA0351","Guzei, Ilia A.; Delpech, Fabien; Jordan, Richard F.","[Hydroxytris(pentafluorophenyl)borato-<i>O</i>][<i>N</i>-isopropyl-2-(isopropylamino)troponiminato-<i>N</i>]methylindium(III)","Acta Crystallographica Section C","2000","56","8","e327","e328","10.1107/S010827010000963X","","","0.71073","MoKα","","0.058","0.031","","","","0.075","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011268","15.594","0.003","16.837","0.002","5.6919","0.0008","90","","90","","90","","1494.4","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","QA0352","Yoshinobu Inouye","(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.172","0.068","","0.253","","0.168","","","1.066","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011269","10.368","0.003","16.3349","0.0014","10.211","0.003","90","","116.614","0.012","90","","1546.1","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","","- C16 H28 O3 -","- C16 H28 O3 -","- C64 H112 O12 -","4","2","QA0352","Yoshinobu Inouye","(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.075","0.045","","0.127","","0.111","","","1.046","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011270","8.0276","0.001","8.7013","0.0011","9.543","0.002","90","","105.901","0.013","90","","641.08","0.18","293","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Ethylene diammonium bis(hydrogenmalonate) monohydrate","","- C8 H18 N2 O9 -","- C8 H18 N2 O9 -","- C16 H36 N4 O18 -","2","0.5","QA0353","Barnes, John C.; Weakley, Timothy J. R.","Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate","Acta Crystallographica Section C","2000","56","8","e346","e347","10.1107/S0108270100008933","","","0.71073","MoKα","","0.058","0.044","","","","0.159","","","","","","0.787","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011271","12.166","0.0004","5.5725","0.0002","14.5413","0.0004","90","","109.247","0.002","90","","930.73","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","p-Cresyl 2,3-anhydro-5-phthalimido-1-thio-α-D-lyxofuranoside","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C40 H34 N2 O8 S2 -","2","1","QA0356","Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L.","<i>p</i>-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-<small>D</small>-lyxofuranoside","Acta Crystallographica Section C","2000","56","8","e365","e365","10.1107/S0108270100009641","","","0.71073","MoKα","","0.058","0.047","","0.106","","0.102","","","1.048","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011272","10.146","0.004","9.003","0.007","15.035","0.002","90","","92.28","0.02","90","","1372.3","1.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 I2 N2 O2 Pt -","- C8 H14 I2 N2 O2 Pt -","- C32 H56 I8 N8 O8 Pt4 -","4","1","QA0357","Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II) and <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2000","56","8","e335","e337","10.1107/S0108270100009707","","","0.7107","MoKα","","","0.03","","","","0.028","","","","","","1.48","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011273","9.379","0.005","9.537","0.004","8.95","0.004","91.1","0.04","98.37","0.04","66.98","0.04","728.3","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 I2 N2 O2 Pt -","- C8 H18 I2 N2 O2 Pt -","- C16 H36 I4 N4 O4 Pt2 -","2","1","QA0357","Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II) and <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2000","56","8","e335","e337","10.1107/S0108270100009707","","","0.7107","MoKα","","","0.052","","","","0.058","","","","","","2.7","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011274","9.486","0.0019","18.974","0.004","10.759","0.002","90","","92.48","0.03","90","","1934.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[diaqua(isonicotinato-O,O')europium(III)]-di-μ-isonicotinato-O:O'] dihydrate]","","- C18 H16 Eu N3 O8 -","- C18 H16 Eu N3 O8 -","- C72 H64 Eu4 N12 O32 -","4","1","QA0360","Zeng, Xi-Rui; Xu, Yan; Xiong, Ren-Geng; Zhang, Li-Juan; You, Xiao-Zeng","<i>catena</i>-Poly[[diaqua(isonicotinato-<i>O</i>,<i>O</i>')europium(III)]-di-μ-isonicotinato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2000","56","8","e325","e326","10.1107/S0108270100009604","","","0.71073","MoKα","","0.03","0.025","","","","0.07","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011275","11.668","0.005","12.445","0.005","8.918","0.005","96.697","0.005","106.143","0.005","106.72","0.005","1163.8","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Ba N3 O5 S2 -","- C19 H25 Ba N3 O5 S2 -","- C38 H50 Ba2 N6 O10 S4 -","2","1","QA0361","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","Bis[μ-2-(1,4,7,10-tetraoxa-13-azacyclopentadeca-13-yl)cyclohepta-2,4,6-trien-1-one]bis[bis(thiocyanato)barium(II)]","Acta Crystallographica Section C","2000","56","8","e329","e330","10.1107/S0108270100009653","","","0.71073","MoKα","","0.035","0.026","","","","0.07","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011276","10.853","0.001","11.547","0.001","7.821","0.001","96.97","0.01","110.03","0.01","86.84","0.01","913.94","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxide(1-)-O,N^3^,O']zinc(II)","Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxide(1-)-O,N^3^,O']zinc(II)","","- C16 H20 N6 O4 Zn -","- C16 H20 N6 O4 Zn -","- C32 H40 N12 O8 Zn2 -","2","1","SK1370","Mukherjee, Alok K.; Samanta, Chitra; Mukherjee, Monika; Helliwell, M.","Bis[3-(<i>o</i>-methoxyphenyl)-1-methyltriazene 1-oxidato-<i>O</i>,<i>N</i>^3^,<i>O</i>']zinc(II)","Acta Crystallographica Section C","2000","56","8","952","954","10.1107/S0108270100008003","","","1.5418","CuKα","","0.048","0.042","","","","0.122","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011277","14.5912","0.0019","7.0951","0.0011","15.8414","0.0013","90","","99.138","0.008","90","","1619.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sarcosinium trifluoroacetate","N-methylglycinium trifluoroacetate","","- C5 H8 F3 N O4 -","- C5 H8 F3 N O4 -","- C40 H64 F24 N8 O32 -","8","1","SK1378","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Sarcosinium trifluoroacetate","Acta Crystallographica Section C","2000","56","8","1053","1055","10.1107/S010827010000809X","","","0.71073","MoKα","","0.071","0.0557","","","","0.1792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011278","18.1212","0.0003","18.0363","0.0002","21.8937","0.0001","90","","98.454","0.001","90","","7077.97","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium 4-oxo-4H-pyran-2,6-dicarboxylatotributylstannate","","- C31 H53 N O6 Sn -","- C31 H53 N O6 Sn -","- C248 H424 N8 O48 Sn8 -","8","2","SK1382","Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.","Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4<i>H</i>-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin","Acta Crystallographica Section C","2000","56","8","966","968","10.1107/S0108270100008106","","","0.71073","MoKα","","0.128","0.0681","","","","0.1889","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011279","17.7536","0.0003","9.3746","0.0001","17.8985","0.0002","90","","102.981","0.001","90","","2902.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methylphenylammonium 2,6-pyridinedicarboxylatotributylstannate","","- C26 H40 N2 O4 Sn -","- C26 H40 N2 O4 Sn -","- C104 H160 N8 O16 Sn4 -","4","1","SK1382","Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.","Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4<i>H</i>-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin","Acta Crystallographica Section C","2000","56","8","966","968","10.1107/S0108270100008106","","","0.71073","MoKα","","0.0701","0.0488","","","","0.1552","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011280","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","SK1383","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(‒)-(1<i>R</i>,2<i>S</i>,2'<i>R</i>,5<i>R</i>)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol. Corrigendum","Acta Crystallographica Section C","2000","56","8","1056","1056","10.1107/S0108270100005011","","","0.71069","MoKα","","0.063","0.036","","","","0.081","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011281","10.006","0.004","8.543","0.003","26.09","0.01","90","","98.52","0.04","90","","2205.6","1.5","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-(2-α-Naphthyl)vinyl-3-p-tosyl benzothiazoline","","- C26 H21 N O2 S2 -","- C26 H21 N O2 S2 -","- C104 H84 N4 O8 S8 -","4","1","SK1385","Maiti, Susim; Mukherjee, Monika; Nandi, Bidisha; Helliwell, Madeleine; Kundu, Nitya G.","(<i>E</i>)-2-[2-(1-Naphthyl)vinyl]-3-tosyl-2,3-dihydro-1,3-benzothiazole","Acta Crystallographica Section C","2000","56","8","992","994","10.1107/S0108270100006259","","","1.5418","CuKα","","0.144","0.069","","","","0.225","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011282","16.2515","0.0016","16.2515","0.0016","13.7964","0.0019","90","","90","","90","","3643.8","0.7","173","1","173","1","","","","","","","","5","P 41","P 4w","76","","(M)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide acetone (1/3) solvate","","- C41 H48 Br N O4 -","- C41 H48 Br N O4 -","- C164 H192 Br4 N4 O16 -","4","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.197","0.065","","","","0.169","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011283","8.234","0.003","12.267","0.002","14.3806","0.0019","90","","98.015","0.015","90","","1438.3","0.6","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide dichloromethane (1/1) solvate","","- C33 H32 Br Cl2 N O -","- C33 H32 Br Cl2 N O -","- C66 H64 Br2 Cl4 N2 O2 -","2","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.07","0.039","","","","0.096","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011284","12.0927","0.0002","25.2129","0.0005","15.4999","0.0003","90","","102.392","0.001","90","","4615.7","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane Solvate","","- C47 H54 Au N P2 S2 -","- C47 H54 Au N P2 S2 -","- C188 H216 Au4 N4 P8 S8 -","4","1","SK1392","Jian, Fangfang; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun","(<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I) butane solvate","Acta Crystallographica Section C","2000","56","8","939","940","10.1107/S0108270100007319","","","0.71073","MoKα","","0.128","0.052","","","","0.119","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011285","18.292","0.007","10.969","0.003","21.363","0.008","90","","105.093","0.0017","90","","4139","2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate","","- C45 H40 Cl N O3 P2 Pd S -","- C45 H40 Cl N O3 P2 Pd S -","- C180 H160 Cl4 N4 O12 P8 Pd4 S4 -","4","1","SK1393","Aupers, John H.; Ferguson, George; Glidewell, Christopher; Low, John N.; Wardell, James L.","<i>trans</i>-Chloro(2-nitrobenzenethiolato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)palladium(II) monoacetone solvate","Acta Crystallographica Section C","2000","56","8","945","947","10.1107/S0108270100007320","","","0.71073","MoKα","","0.139","0.053","","","","0.147","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011286","10.3499","0.0006","10.3499","0.0006","14.6652","0.0011","90","","90","","120","","1360.48","0.15","173","1","173","1","","","","","","","","6","P 63","P 6c","173","","tris(1,6-dihydro-9H-purine-6-thione-N^7^,S)iron(II) tetrachloroferrate(III) chloride","","- C15 H12 Cl5 Fe2 N12 S3 -","- C15 H12 Cl5 Fe2 N12 S3 -","- C30 H24 Cl10 Fe4 N24 S6 -","2","0.333333","SK1395","Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich","A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride","Acta Crystallographica Section C","2000","56","8","957","959","10.1107/S0108270100008118","","","0.71073","MoKα","","0.024","0.021","","","","0.038","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011287","8.488","0.0002","22.7523","0.0002","8.781","0.0002","90","","114.929","0.001","90","","1537.8","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Diaza-9-fluorenone Benzoylhydrazone Monohydrate","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","SK1396","Lu, Zhong-Lin; Xiao, Wen; Chen, Zhong-Ning; Gong, Xiao-Yang; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun","4,5-Diazafluoren-9-one benzoylhydrazone monohydrate","Acta Crystallographica Section C","2000","56","8","1017","1018","10.1107/S0108270100007459","","","0.71073","MoKα","","0.1153","0.0614","","","","0.1207","","","","","","0.93","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011288","7.7198","0.0001","20.4639","0.0003","15.9112","0.0002","90","","90","","90","","2513.61","0.06","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Trans-dichloro (1, 5, 9, 13-tetramethyl-1, 5, 9, 13-tetrazacyclohexadecane) Ruthenium(III)triiodide","","- C16 H36 Cl2 I3 N4 Ru -","- C16 H36 Cl2 I3 N4 Ru -","- C64 H144 Cl8 I12 N16 Ru4 -","4","0.5","SK1397","Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng","<i>trans</i>-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^<i>N</i>)ruthenium(III) triiodide","Acta Crystallographica Section C","2000","56","8","941","942","10.1107/S0108270100007460","","","0.71073","MoKα","","0.0525","0.0392","","","","0.0867","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011289","10.418","0.002","8.88","0.006","13.56","0.002","90","","91.36","0.01","90","","1254.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl a\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C54 H58 N2 O12 S2 -","2","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKa","","0.0347","0.0333","","0.0927","","0.0904","","","1.056","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011290","8.319","0.001","13.197","0.002","5.75","0.002","100.84","0.02","98.61","0.02","89.43","0.01","612.9","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl b\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C27 H29 N O6 S -","1","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKα","","0.0696","0.0694","","0.2029","","0.2025","","","1.104","","","1.106","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011291","6.0315","0.0007","7.249","0.0008","12.8693","0.0019","90","","91.921","0.009","90","","562.36","0.12","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil dihydrate","","- C9 H14 N2 O7 -","- C9 H14 N2 O7 -","- C18 H28 N4 O14 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.026","0.025","","","","0.076","","","","","","1.377","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011292","6.024","0.002","7.218","0.003","12.357","0.004","90","","101.4","0.04","90","","526.7","0.3","137","2","137","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil monohydrate","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.082","0.054","","","","0.11","","","","","","1.376","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011293","9.282","","10.803","","7.887","","90","","111.45","","90","","736.08","","122","2","122","2","","","","","","","","4","C 1 c 1","C -2yc","9","N-Methyl-DL-Aspartic Acid monohydrate","N-Methyl-DL-Aspartic Acid","","- C5 H11 N O5 -","- C5 H11 N O5 -","- C20 H44 N4 O20 -","4","1","AV1045","Madsen, Dennis; Pattison, Philip","<i>N</i>-Methyl-<small>DL</small>-aspartic acid monohydrate","Acta Crystallographica Section C","2000","56","9","1157","1158","10.1107/S0108270100008593","","","0.7","Synchrotron","","0.0297","0.0297","","","","0.074","","","","","","1.312","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011294","13.386","0.003","3.75","0.001","14.35","0.003","90","","101.88","0.03","90","","704.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-pyrazoledicarboxylic acid monohydrate","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C20 H24 N8 O20 -","4","1","BK1520","Ching, Nancy; Pan, Long; Huang, Xiaoying; Li, Jing","3,5-Pyrazoledicarboxylic acid monohydrate","Acta Crystallographica Section C","2000","56","9","1124","1125","10.1107/S0108270100007484","","","0.71073","MoKα","","0.0845","0.0401","","","","0.0792","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011295","10.7364","0.0011","14.0507","0.0013","13.5546","0.0013","90","","105.104","0.002","90","","1974.1","0.3","298","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Chloro-(1,5-bis(2-hydroxybenzyl)-1,5-diazacyclooctane) cadmium(II)]","","- C20 H25 Cd Cl N2 O2 -","- C20 H25 Cd Cl N2 O2 -","- C80 H100 Cd4 Cl4 N8 O8 -","4","1","BK1538","Du, Miao; Weng, Lin-Hong; Leng, Xue-Bing; Bu, Xian-He; Zhang, Ruo-Hua","Chloro(2-{[5-(2-hydroxybenzyl-<i>O</i>)-1,5-diaza-1-cyclooctyl-<i>N</i>,<i>N</i>']methyl}phenolato-<i>O</i>)cadmium(II)","Acta Crystallographica Section C","2000","56","9","1090","1091","10.1107/S010827010000901X","","","0.71073","MoKα","","","0.0333","","","","0.0614","","","","","","0.935","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011296","7.9476","0.0002","11.5546","0.0003","29.4257","0.0008","90","","90","","90","","2702.2","0.12","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4'-Vinyl-2,2':6',2''-terpyridine","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","1","BM1415","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","4'-Vinyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2000","56","9","1142","1143","10.1107/S0108270100008295","","","0.71073","MoKα","","0.0747","0.0521","","","","0.147","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011297","9.577","0.004","9.972","0.004","7.602","0.004","106.11","0.03","95.12","0.03","78.22","0.03","682.4","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol","","- C10 H17 N7 O2 -","- C10 H17 N7 O2 -","- C20 H34 N14 O4 -","2","1","BR1291","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","3,5-Bis[(<i>N</i>,<i>N</i>-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data","Acta Crystallographica Section C","2000","56","9","1159","1160","10.1107/S010827010000860X","","","1.54059","CuKα~1~","","","","","","","","","","2.67","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011298","4.9084","0.0002","13.6795","0.0007","9.0482","0.0004","90","","105.414","0.001","90","","585.68","0.05","299","2","299","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","strontium gallium borate hydroxide","","","- B4 Ga3 H O14 Sr3 -","- B4 Ga3 H O14 Sr3 -","- B8 Ga6 H2 O28 Sr6 -","2","0.5","BR1297","Barbier, Jacques; Park, Hyunsoo","A new orthoborate, Sr~3~Ga~3~(BO~3~)~4~O(OH)","Acta Crystallographica Section C","2000","56","9","1057","1058","10.1107/S0108270100009021","","","0.71073","MoKα","","0.0534","0.0348","","0.0804","","0.0735","","","1.055","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011299","10.5757","0.0006","15.0449","0.0008","14.771","0.0008","90","","92.954","0.001","90","","2347.1","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rubidium titanium polytelluride","","- Rb3 Te11 Ti3 -","- Rb3 Te11 Ti3 -","- Rb12 Te44 Ti12 -","4","1","BR1300","Huang, Fu Qiang; Ibers, James A.","Rb~3~Ti~3~Te~11~","Acta Crystallographica Section C","2000","56","9","1059","1061","10.1107/S0108270100009367","","","0.71073","MoKα","","0.0359","0.0281","","","","0.0658","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011300","8.461","0.002","15.653","0.003","14.269","0.003","90","","91.37","0.03","90","","1889.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tri(ethylenediamino)manganous telluride","","- C6 H24 Mn N6 Te4 -","- C6 H24 Mn N6 Te4 -","- C24 H96 Mn4 N24 Te16 -","4","1","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.0731","0.0411","","","","0.0717","","","","","","1.343","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011301","15.774","0.003","11.739","0.002","18.239","0.004","90","","90","","90","","3377.3","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di[tri(ethylenediamino)ferro] antimony selenide","","- C12 H48 Fe2 N12 Sb2 Se5 -","- C12 H48 Fe2 N12 Sb2 Se5 -","- C48 H192 Fe8 N48 Sb8 Se20 -","4","0.5","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.182","0.0823","","","","0.1711","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011302","13.029","0.002","10.819","0.002","21.66","0.003","90","","99.16","0.01","90","","3014.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-4'-methoxy-4-stilbazolium tetraphenylborate","4-[2-(4-methoxyphenyl)ethenyl]-N-methylpyridinum tetraphenylborate","","- C39 H36 B N O -","- C39 H36 B N O -","- C156 H144 B4 N4 O4 -","4","1","DA1127","Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei","4-[2-(4-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2000","56","9","1122","1123","10.1107/S0108270100007538","","","0.71073","MoKα","","0.07","0.036","","","","0.088","","","","","","0.868","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011303","9.996","0.001","10.933","0.002","14.385","0.003","78.13","0.02","83.74","0.01","65.59","0.01","1400.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tert-butyloxycarbonyl-alpha-amino isobutyryl - beta-Alanyl - N, (N,N'-dicyclohexyl)-urea.","","- C25 H44 N4 O5 -","- C25 H44 N4 O5 -","- C50 H88 N8 O10 -","2","1","DE1142","Banerjee, Rahul; Maji, Samir Kumar; Banerjee, Arindam","<i>tert</i>-Butyl <i>N</i>-{2-[<i>N</i>-(<i>N</i>,<i>N</i>'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl}carbamate","Acta Crystallographica Section C","2000","56","9","1120","1121","10.1107/S0108270100007447","","","1.5418","CuKα","","0.0576","0.0461","","","","0.139","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011304","7.571","0.004","9.486","0.006","10.528","0.004","85.72","0.04","71.16","0.04","76.94","0.05","697.1","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","","3-Methylthio-4-propargylthioquinolinium chloride monohydrate","","- C13 H14 Cl N O S2 -","- C13 H14 Cl N O S2 -","- C26 H28 Cl2 N2 O2 S4 -","2","1","DE1147","Boryczka, Stanisław; Steiner, Thomas","Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline","Acta Crystallographica Section C","2000","56","9","1139","1141","10.1107/S0108270100008271","","","0.71073","MoKα","","0.073","0.051","","","","0.146","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011305","19.43","0.011","5.338","0.003","36.66","0.03","90","","111.67","0.05","90","","3534","4","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Methylthio-3-propargylthioquinolinium trichloroacetate","","- C15 H12 Cl3 N O2 S2 -","- C15 H12 Cl3 N O2 S2 -","- C120 H96 Cl24 N8 O16 S16 -","8","1","DE1147","Boryczka, Stanisław; Steiner, Thomas","Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline","Acta Crystallographica Section C","2000","56","9","1139","1141","10.1107/S0108270100008271","","","0.71073","MoKα","","0.093","0.056","","","","0.165","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011306","7.462","0.002","16.513","0.005","6.483","0.003","90","","115.32","0.02","90","","722.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenylglyoxylic acid","α-Oxobenzeneacetic acid","","- C8 H6 O3 -","- C8 H6 O3 -","- C32 H24 O12 -","4","1","FG1604","Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.","Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids","Acta Crystallographica Section C","2000","56","9","1148","1151","10.1107/S010827010000812X","","","0.71073","MoKα","","0.114","0.059","","","","0.153","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011307","9.121","0.001","9.121","0.001","10.576","0.001","90","","90","","120","","761.97","0.14","248","2","248","2","","","","","","","","3","P 31","P 31","144","mesitylglyoxylic acid","α-oxo-2,4,6-trimethylbenzeneacetic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C33 H36 O9 -","3","1","FG1604","Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.","Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids","Acta Crystallographica Section C","2000","56","9","1148","1151","10.1107/S010827010000812X","","","0.71073","MoKα","","0.088","0.049","","","","0.127","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011308","16.4393","0.0016","11.2773","0.0012","18.463","0.002","90","","90.14","0.009","90","","3422.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl Ni O P2 -","- C40 H38 Cl Ni O P2 -","- C160 H152 Cl4 Ni4 O4 P8 -","4","1","FG1605","Ellis, Dianne D.; Spek, Anthony L.","Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2000","56","9","1067","1070","10.1107/S0108270100008350","","","0.71073","MoKα","","0.053","0.0355","","","","0.096","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011309","19.0125","0.0008","19.0125","0.0008","10.4507","0.0007","90","","90","","120","","3271.6","0.3","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C54 H45 Cl Ni P3 -","- C54 H45 Cl Ni P3 -","- C162 H135 Cl3 Ni3 P9 -","3","1","FG1605","Ellis, Dianne D.; Spek, Anthony L.","Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2000","56","9","1067","1070","10.1107/S0108270100008350","","","0.71073","MoKα","","0.0461","0.0307","","","","0.0662","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011310","8.571","0.0008","9.5382","0.0009","10.3449","0.0009","105.799","0.001","94.1123","0.0011","112.695","0.0013","735.72","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","FR1265","Zhou, Peiwen; Fisher, James D.; Staples, Richard J.; Vij, Ashwani; Natale, Nicholas R.","Ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate","Acta Crystallographica Section C","2000","56","9","1146","1147","10.1107/S0108270100008489","","","0.71073","MoKα","","0.054","0.047","","","","0.12","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011311","17.447","0.003","10.467","0.002","21.934","0.004","90","","102.77","0.01","90","","3906.5","1.2","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)","","- C31 H35 F15 N3 O Si3 Sm -","- C31 H35 F15 N3 O Si3 Sm -","- C124 H140 F60 N12 O4 Si12 Sm4 -","4","1","FR1269","Click, Damon R.; Scott, Brian L.; Watkin, John G.","Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)","Acta Crystallographica Section C","2000","56","9","1095","1096","10.1107/S0108270100008775","","","0.71073","MoKα","","0.057","0.038","","","","0.101","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011312","6.652","0.002","10.616","0.004","11.038","0.004","66.18","0.01","88.2","0.01","85.61","0.02","711","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","FR1276","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","Two diastereomers of (±)-<i>cis</i>-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid","Acta Crystallographica Section C","2000","56","9","1152","1154","10.1107/S0108270100008477","","","0.71073","MoKα","","0.059","0.038","","","","0.088","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011313","11.372","0.007","10.467","0.009","11.901","0.016","90","","91.11","0.07","90","","1416","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1276","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","Two diastereomers of (±)-<i>cis</i>-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid","Acta Crystallographica Section C","2000","56","9","1152","1154","10.1107/S0108270100008477","","","0.71073","MoKα","","0.131","0.065","","","","0.237","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011314","7.242","0.002","16.187","0.005","10.596","0.003","90","","109.7","0.01","90","","1169.4","0.6","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trans-Dichlorodibenzylaminepalladium(II)","","- C18 H30 Cl2 N2 O2 Pd S2 -","- C18 H30 Cl2 N2 O2 Pd S2 -","- C36 H60 Cl4 N4 O4 Pd2 S4 -","2","0.5","FR1279","Decken, Andreas; Gisia L. Pisegna; Christopher M. Vogels; Stephen A. Westcott","<i>trans</i>-Bis(benzylamine)dichloropalladium(II) bis(dimethyl sulfoxide) solvate","Acta Crystallographica Section C","2000","56","9","1071","1072","10.1107/S0108270100008428","","","0.71073","MoKα","","0.0355","0.0256","","0.0641","","0.0594","","","1.093","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011315","9.9888","0.0011","15.5672","0.0009","10.905","0.0009","90","","107.841","0.007","90","","1614.2","0.2","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","benzo,cis-cyclohexano-14-crown-4","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","FR1290","Bryan, Jeffrey C.; Sachleben, Richard A.","Benzo-<i>cis</i>-cyclohexano-14-crown-4 and its lithium thiocyanate complex","Acta Crystallographica Section C","2000","56","9","1104","1106","10.1107/S0108270100009033","","","0.71073","MoKα","","0.055","0.037","","","","0.1","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011316","9.3885","0.0008","23.96","0.003","17.744","0.002","90","","102.507","0.008","90","","3896.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","benzo,cis-cyclohexano-14-crown-4 lithium thiocyanate","","","- C19 H26 Li N O4 S -","- C19 H26 Li N O4 S -","- C152 H208 Li8 N8 O32 S8 -","8","2","FR1290","Bryan, Jeffrey C.; Sachleben, Richard A.","Benzo-<i>cis</i>-cyclohexano-14-crown-4 and its lithium thiocyanate complex","Acta Crystallographica Section C","2000","56","9","1104","1106","10.1107/S0108270100009033","","","0.71073","MoKα","","0.093","0.048","","","","0.135","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011317","17.76","0.009","32.336","0.011","7.9664","0.0006","90","","90","","90","","4575","3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","9-(n-dodecylaminomethyl)anthracene","","- C27 H37 N -","- C27 H37 N -","- C216 H296 N8 -","8","1","GD1095","Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.","C—H···π interactions in 9-(<i>n</i>-dodecylaminomethyl)anthracene","Acta Crystallographica Section C","2000","56","9","1136","1138","10.1107/S0108270100008441","","","1.54056","CuKα","","0.0792","0.0556","","","","0.1872","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011318","7.852","0.003","15.962","0.005","11.951","0.004","90","","105.48","0.03","90","","1443.5","0.9","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-Carbamoylethyl)bis(dimethylglyoximato) [(R)-1-(1-naphthyl)ethylamine]cobalt(III)","","- C25 H39 Co N6 O6 -","- C25 H39 Co N6 O6 -","- C50 H78 Co2 N12 O12 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[2-(<i>N</i>-methylcarbamoyl)ethyl][methyl (<i>S</i>)-phenylalaninate-<i>N</i>]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0619","0.0539","","","","0.1238","","","","","","1.12","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011319","11.097","0.004","10.914","0.003","11.178","0.004","90","","91.5","0.03","90","","1353.3","0.8","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato) [2-(methylcarbamoyl)ethyl][methyl (S)-phenylalaninate]cobalt(III)","","- C22 H35 Co N6 O7 -","- C22 H35 Co N6 O7 -","- C44 H70 Co2 N12 O14 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[2-(<i>N</i>-methylcarbamoyl)ethyl][methyl (<i>S</i>)-phenylalaninate-<i>N</i>]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0542","0.0461","","","","0.1359","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011320","4.9992","0.0008","12.694","0.003","16.442","0.003","90","","93.54","0.01","90","","1041.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorophenyl)-2-cyano-2,3-epoxypropanamide","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C40 H28 Cl4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0683","0.0478","","","","0.1515","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011321","5.934","0.003","33.653","0.006","6.177","0.001","90","","107.12","0.03","90","","1178.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-bromo-2-cyano-3-(4-methylphenyl)-2-hydroxypropanamide","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C44 H44 Br4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0831","0.0401","","","","0.1081","","","","","","0.971","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011322","22.614","0.005","10.257","0.002","10.099","0.002","90","","114.32","0.03","90","","2134.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-bromo-3-(4-metylphenyl)-2-oxopropanamide","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0635","0.0387","","","","0.1091","","","","","","0.973","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011323","5.526","0.001","29.989","0.006","5.997","0.001","90","","107.96","0.03","90","","945.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-chloro-3-phenyl-2,2-dihydroxypropanamide","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0344","0.0278","","","","0.0634","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011324","17.382","0.0007","6.7257","0.0003","23.9374","0.0009","90","","95.368","0.002","90","","2786.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Diazabicyclo[2.2.2]octane‒5-hydroxyisophthalic acid (1/1)","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","GG1007","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Threefold interweaving of (4,4) nets built from <i>R</i>{_<b>10</b>^<b>10</b>}(58) rings in the hydrogen-bonded adduct 1,4-diazabicyclo[2.2.2]octane‒5-hydroxyisophthalic acid (1/1)","Acta Crystallographica Section C","2000","56","9","1126","1128","10.1107/S010827010000771X","","","0.71073","MoKα","","0.063","0.046","","","","0.121","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011325","8.2107","0.0003","9.3093","0.0004","26.8707","0.0009","90","","90","","90","","2053.89","0.13","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N2 Ru -","- C21 H30 Cl2 N2 Ru -","- C84 H120 Cl8 N8 Ru4 -","4","1","","Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel","A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine","Acta Crystallographica, Section C","2000","56","","1088","1089","10.1107/S0108270100008787","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011326","6.6157","0.0011","9.654","0.004","10.748","0.004","101.96","0.03","90.13","0.03","104.29","0.03","649.7","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-chloro)-bis-[1,2,3,3-(4-oxo-6,6-dimethyl-1-ethoxycarbonyl)- hexenyl]-palladium (II)","","- C22 H34 Cl2 O6 Pd2 -","- C22 H34 Cl2 O6 Pd2 -","- C22 H34 Cl2 O6 Pd2 -","1","0.5","GG1012","Spek, Anthony L.; Canisius, Johannes; Preut, Hans; Krause, Norbert","The allyl complex di-μ-chloro-bis{[(1,2,3-η)-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)}","Acta Crystallographica Section C","2000","56","9","1065","1066","10.1107/S0108270100008799","","","0.71073","MoKα","","0.0187","0.0179","","","","0.0439","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011327","6.3914","0.0005","9.0264","0.0006","26.9292","0.0019","90","","90","","90","","1553.58","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0748","0.048","","","","0.1137","","","","","","0.951","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011328","8.3419","0.0009","12.3902","0.001","14.4052","0.0014","90","","90","","90","","1488.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0874","0.0503","","","","0.1047","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011329","7.0044","0.0005","11.182","0.001","6.3971","0.0008","102.978","0.008","104.697","0.004","74.017","0.008","459.42","0.08","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 N2 Na O6 -","- C5 H9 N2 Na O6 -","- C10 H18 N4 Na2 O12 -","2","1","GS1079","Muthuraman, Meiyappan; Nicoud, Jean-François; Bagieu-Beucher, Muriel","Sodium 5-nitro-2-pyridonate trihydrate","Acta Crystallographica Section C","2000","56","9","1077","1078","10.1107/S0108270100009045","","","0.5608","AgKα","","0.0514","0.051","","0.057","","0.057","","","1.908","","","1.91","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011330","5.674","0.0014","11.699","0.006","33.534","0.0015","90","","90","","90","","2226","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,6-Anhydro-2,3-di-O-Benzyl-5C-(Carbethoxy-1(R)-hydroxymethyl)-L-altrofuranose","1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-L- altrofuranose","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","GS1095","Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre","1,6-Anhydro-2,3-di-<i>O</i>-benzyl-5<i>C</i>-[(<i>R</i>)-ethoxycarbonyl(hydroxy)methyl]-β-<small>L</small>-altrofuranose","Acta Crystallographica Section C","2000","56","9","1168","1169","10.1107/S0108270100008702","","","1.5418","CuKα","","0.064","0.051","","","","0.148","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011331","7.8783","0.0002","10.4689","0.0001","16.068","0.0004","90","","95.147","0.001","90","","1319.9","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H17 Al N2 O8 P2 -","- C5 H17 Al N2 O8 P2 -","- C20 H68 Al4 N8 O32 P8 -","4","1","GS1096","Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V.","[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate","Acta Crystallographica, Section C","2000","56","9","1073","1074","10.1107/S0108270100008532","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011332","11.623","0.002","13.426","0.003","15.156","0.002","76.44","0.01","71.3","0.01","75.16","0.02","2135.3","0.7","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 Br4 Cl2 Fe2 N5 O6 -","- C43 H33 Br4 Cl2 Fe2 N5 O6 -","- C86 H66 Br8 Cl4 Fe4 N10 O12 -","2","1","GS1097","Elmali, Ayhan; Kavlakoglu, Ebru; Elerman, Yalc̨ın; Svoboda, Ingrid","A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III)","Acta Crystallographica Section C","2000","56","9","1097","1099","10.1107/S0108270100008714","","","0.71093","MoKα","","0.037","0.037","","","","0.121","","","","","","1.014","","","","has coordinates,has Fobs","199470","2020-10-21","18:00:00",""
"2011333","10.914","0.001","21.758","0.001","32.774","0.001","90","","90","","90","","7782.7","0.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Bis-(12-Krone-4)-cadmium-bispentaiodid","Bis-(1,3,5,7-Tetraoxacyclododecan)-cadmium-bis-pentaiodid","","- C16 H32 Cd I10 O8 -","- C16 H32 Cd I10 O8 -","- C128 H256 Cd8 I80 O64 -","8","0.25","JZ1406","Wieczorrek, Carsten","Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie","Acta Crystallographica Section C","2000","56","9","1082","1084","10.1107/S0108270100008817","","","0.7107","MoKα","","0.034","0.0313","","0.0643","","0.063","","","1.086","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011334","14.742","0.001","14.742","","17.791","0.001","90","","90","","90","","3866.5","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-zinktetraiodid","Tris(1,2-ethandiamin)zinktriiodid-iodid","","- C6 H24 I4 N6 Zn -","- C6 H24 I4 N6 Zn -","- C48 H192 I32 N48 Zn8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0218","0.0196","","","","0.042","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011335","14.67","0.001","14.67","","17.754","0.002","90","","90","","90","","3820.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-nickeltetraiodid","Tris(1,2-diaminoethan)nickeltriiodid-iodid","","- C6 H24 I4 N6 Ni -","- C6 H24 I4 N6 Ni -","- C48 H192 I32 N48 Ni8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0452","0.0276","","","","0.0516","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011336","7.49","0.002","13.4","0.003","18.639","0.006","90","","90","","90","","1870.7","0.9","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","[Bis-Ethylendiamin-kupfer]bis-triiodid","[Bis-1,2-Diaminoethan-kupfer]bis-triiodid","","- C4 H16 Cu I6 N4 -","- C4 H16 Cu I6 N4 -","- C16 H64 Cu4 I24 N16 -","4","0.25","JZ1410","Wieczorrek, Carsten","Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer","Acta Crystallographica Section C","2000","56","9","1085","1087","10.1107/S0108270100008830","","","0.71073","MoKα","","0.0487","0.0391","","","","0.0906","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011337","9.684","0.0008","5.2868","0.0008","12.8212","0.0007","90","","106.47","0.006","90","","629.48","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Chloro-1-(4-morpholinyl-5-nitroimidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","JZ1415","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 44. Über Morpholinonitroimidazolderivate","Acta Crystallographica Section C","2000","56","9","1161","1163","10.1107/S0108270100008635","","","1.54178","CuKα","","0.026","0.025","","","","0.072","","","","","","1.038","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011338","6.5036","0.0008","7.8493","0.0009","12.9757","0.0014","91.101","0.009","101.026","0.01","101.94","0.01","634.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1-(5-morpholinyl-4-nitroimidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","JZ1415","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 44. Über Morpholinonitroimidazolderivate","Acta Crystallographica Section C","2000","56","9","1161","1163","10.1107/S0108270100008635","","","1.54178","CuKα","","0.048","0.041","","","","0.122","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011339","11.4056","0.0002","12.2501","0.0001","13.1746","0.0003","90","","91.497","0.001","90","","1840.12","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(benzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione (I)","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","KA1336","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.","Two benzoylaminoacridinedione derivatives","Acta Crystallographica Section C","2000","56","9","1109","1112","10.1107/S0108270199016455","","","0.71073","MoKα","","0.0842","0.0561","","","","0.167","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011340","23.2343","0.001","13.8327","0.0006","16.3286","0.0007","90","","132.14","0.001","90","","3891.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-(4-methylbenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione(II)","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C168 H192 N16 O32 -","8","1","KA1336","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.","Two benzoylaminoacridinedione derivatives","Acta Crystallographica Section C","2000","56","9","1109","1112","10.1107/S0108270199016455","","","0.71073","MoKα","","0.0705","0.0553","","","","0.1897","","","","","","0.945","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011341","11.255","0.015","6.865","0.0013","11.953","0.0012","90","","104.15","0.02","90","","895.5","1.2","293","","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","6,12-Dihydro-2,8-dihydroxy-1,3,7,9-tetramethyl-dipyrido[1,2-a:1',2'-d] pyrazinediylium dichloride dihydrate","","- C16 H24 Cl2 N2 O4 -","- C16 H18 Cl2 N2 O4 -","- C32 H36 Cl4 N4 O8 -","2","0.25","NA1479","Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko","2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate","Acta Crystallographica Section C","2000","56","9","1144","1145","10.1107/S0108270100008313","","","0.71073","MolybdenumKα","","0.0594","0.0477","","","","0.1685","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011342","11.665","0.002","7.4718","0.0011","16.2794","0.0015","90","","106.666","0.014","90","","1359.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Carboxy-phenyl)-2-hydroxy-1-naphthaldimine","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","OB1032","Pavlović, Gordana; Matijević Sosa, Julija","3-[(2-Oxo-1-naphthylidene)methylamino]benzoic acid","Acta Crystallographica Section C","2000","56","9","1117","1119","10.1107/S0108270100007290","","","0.71073","MoKα","","0.1332","0.046","","","","0.117","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011343","10.1958","0.0015","9.9753","0.001","13.1655","0.0019","90","","90.695","0.017","90","","1338.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(H2NC2H4NH2)(H3NC2H4NH3)2][Ge9O18(OH)4]","","","- C6 H32 Ge9 N6 O22 -","- C6 H32 Ge9 N6 O22 -","- C12 H64 Ge18 N12 O44 -","2","0.5","OS1114","Sun, Kai; Dadachov, Mike S.; Conradsson, Tony; Zou, Xiaodong","A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium","Acta Crystallographica Section C","2000","56","9","1092","1094","10.1107/S0108270100009057","","","0.71073","MoKα","","0.0406","0.0268","","","","0.0579","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011344","13.594","0.002","14.808","0.003","5.611","0.0015","90.089","0.017","98.13","0.018","83.505","0.014","1110.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","α-(4-Chlorophenyl)-N-phenylnitrone","N-(p-Chlorobenzylidene)phenylamine N-oxide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","2","QA0266","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Chlorobenzylidene)phenylamine <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","9","e403","e404","10.1107/S0108270100010544","","","0.71069","MoKα","","0.054","0.036","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011345","7.814","0.005","11.561","0.003","18.58","0.007","90","","101.96","0.04","90","","1642","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methyl-4(2-napthyl)ethenyl-3-cyano-1-benzopyran-2-one.","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C92 H60 N4 O8 -","4","1","QA0319","Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Dodia, Narasinh; Shah, Anamik","3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one","Acta Crystallographica Section C","2000","56","9","e401","e402","10.1107/S0108270100010532","","","0.71073","MoKα","","0.067","0.042","","","","0.144","","","","","","0.831","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011346","11.372","0.003","8.042","0.002","15.621","0.009","90","","104.71","0.02","90","","1381.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1-methylguanidinium) Tetrachlorocuprate(II)","","- C4 H16 Cl4 Cu N6 -","- C4 H16 Cl4 Cu N6 -","- C16 H64 Cl16 Cu4 N24 -","4","0.5","QA0332","Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente","Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","9","e385","e387","10.1107/S0108270100011045","","","0.71073","MoKα","","0.075","0.04","","","","0.117","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011347","9.205","0.007","16.13","0.03","9.391","0.007","90","","99.24","0.06","90","","1376","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-pyrimidinyl)-piperazine Tetrachlorocuprate(II)","","- C8 H14 Cl4 Cu N4 -","- C8 H14 Cl4 Cu N4 -","- C32 H56 Cl16 Cu4 N16 -","4","1","QA0332","Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente","Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","9","e385","e387","10.1107/S0108270100011045","","","0.71073","MoKα","","0.085","0.051","","","","0.135","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011348","12.553","0.001","14.4169","0.0009","13.2205","0.0009","90","","94.377","0.007","90","","2385.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(μ~2~-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II) monohydrate","","- C22 H18 Cl2 Cu N4 O9 -","- C22 H18 Cl2 Cu N4 O9 -","- C88 H72 Cl8 Cu4 N16 O36 -","4","1","QA0341","Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(perchlorato-<i>O</i>)(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section C","2000","56","9","e374","e375","10.1107/S0108270100011057","","","0.71073","MoKα","","0.098","0.061","","","","0.173","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011349","20.0177","0.001","15.7193","0.0008","12.9074","0.0007","90","","103.235","0.001","90","","3953.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(tren)(dmso)Cl](ClO~4~)~2~","chloro tris-(2-aminoethyl)amine (dimethyl sulfoxide-O)- cobalt (III) perchlorate","","- C8 H24 Cl3 Co N4 O9 S -","- C8 H24 Cl3 Co N4 O9 S -","- C64 H192 Cl24 Co8 N32 O72 S8 -","8","2","QA0349","Hu, Xiaopeng; Feng, Xiaolong; Cai, Jiwen; Ji, Liangnian","[Tris(2-aminoethyl)amine-κ^4^<i>N</i>]chloro(dimethyl sulfoxide-<i>O</i>)cobalt(III) diperchlorate","Acta Crystallographica Section C","2000","56","9","e388","e389","10.1107/S0108270100011069","","","0.71073","MoKα","","0.061","0.044","","","","0.13","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011350","9.682","0.005","18.654","0.005","8.977","0.005","90","","90","","90","","1621.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S2 -","- C15 H20 O4 S2 -","- C60 H80 O16 S8 -","4","1","QA0358","Kubo, Kanji; Mori, Akira; Kato, Nobuo; Takeshita, Hitoshi","5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one","Acta Crystallographica Section C","2000","56","9","e396","e397","10.1107/S0108270100010489","","","0.71073","MoKα","","0.087","0.04","","","","0.102","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011351","13.0959","0.0012","15.3703","0.0013","8.7107","0.0003","90","","108.86","0.004","90","","1659.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline(pentacarbonyl)chromium(0)","","- C18 H11 Cr N O5 -","- C18 H11 Cr N O5 -","- C72 H44 Cr4 N4 O20 -","4","1","QA0362","Nieger, Martin; Liptau, Patrick; Dötz, Karl Heinz","[<i>N</i>-(Benzylidene)aniline-<i>N</i>]pentacarbonylchromium(0)","Acta Crystallographica Section C","2000","56","9","e390","e391","10.1107/S0108270100011070","","","0.71073","MoKα","","0.054","0.037","","","","0.095","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011352","6.004","0.002","7.675","0.004","45.564","0.003","90","","90","","90","","2099.6","1.3","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O8 -","- C21 H25 N O8 -","- C84 H100 N4 O32 -","4","1","QA0363","Gainsford, Graeme J.; Tyler, Peter C.; Furneaux,Richard H.","1,7,8-Tri-<i>O</i>-acetyl-6-<i>O</i>-benzoylcastanospermine","Acta Crystallographica Section C","2000","56","9","e394","e395","10.1107/S0108270100010477","","","0.71073","MoKα","","0.048","0.048","","","","0.093","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011353","13.4832","0.0002","19.634","0.0002","20.3112","0.0003","90","","98.634","0.0008","90","","5316.03","0.12","273.2","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H59 F6 O4 P5 Ru -","- C56 H59 F6 O4 P5 Ru -","- C224 H236 F24 O16 P20 Ru4 -","4","0.5","QA0364","Lucas, Nigel T.; Powell, Clem E.; Humphrey, Mark G.","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']ruthenium(II) hexafluorophosphate dimethanol solvate","Acta Crystallographica Section C","2000","56","9","e392","e393","10.1107/S0108270100011082","","","0.7107","MoKα","","0.059","0.035","","0.046","","0.039","","","0.939","","","0.949","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011354","9.7567","0.0003","10.344","0.0003","17.0684","0.0006","90","","90","","90","","1722.6","0.09","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","QA0370","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxoandrosta-4,6-dien-11-yl acetate","Acta Crystallographica Section C","2000","56","9","e415","e415","10.1107/S0108270100011094","","","0.71073","MoKα","","0.097","0.035","","","","0.078","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011355","11.353","0.005","22.134","0.005","5.897","0.007","90","","90","","90","","1481.8","1.9","296","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Kynulenine sulfate dihydrate","","- C10 H18 N2 O9 S -","- C10 H18 N2 O9 S -","- C40 H72 N8 O36 S4 -","4","1","QA0372","Okabe, Nobuo; Eguchi, Yoko; Miura, Junko; Akiko, Shimosaki","<small>L</small>-Kynureninium sulfate dihydrate","Acta Crystallographica Section C","2000","56","9","e416","e417","10.1107/S0108270100011100","","","0.71069","MoKα","","","0.0565","","","","0.1629","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011356","6.88","0.002","8.201","0.003","9.298","0.002","90","","105.59","0.01","90","","505.3","0.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Cl N O -","- C3 H6 Cl N O -","- C12 H24 Cl4 N4 O4 -","4","1","QA0373","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","3-Chloropropionamide","Acta Crystallographica Section C","2000","56","9","e413","e413","10.1107/S0108270100011112","","","0.7107","MoKα","","","0.0354","","","","0.1085","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011357","11.253","0.004","5.74","0.006","17.782","0.006","90","","98.19","0.03","90","","1136.9","1.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","sp-9-Acetylfluorene","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","QA0375","Meyers, Cal Y.; Lutfi, Hisham G.; Robinson, Paul D.","<i>sp</i>-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium","Acta Crystallographica Section C","2000","56","9","e418","e419","10.1107/S0108270100011124","","","0.71069","MoKα","","0.134","0.045","","","","0.156","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011358","7.0911","0.0001","12.2566","0.0002","20.5272","0.0004","90","","90","","90","","1784.08","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide","","- C13 H24 N4 O10 -","- C13 H24 N4 O10 -","- C52 H96 N16 O40 -","4","1","QA0376","Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","<i>N</i>-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-<i>N</i>-(β-<small>D</small>-glucopyranosyl)acetamide","Acta Crystallographica Section C","2000","56","9","e420","e420","10.1107/S0108270100011148","","","0.71073","MoKα","","0.045","0.039","","","","0.1","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011359","14.409","0.002","16.489","0.003","19.267","0.003","90","","90","","90","","4577.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clarithromycin Hydrochloride 3.5 Hydrate","6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","","- C38 H77 Cl N O16.5 -","- C38 H77 Cl N O16.5 -","- C152 H308 Cl4 N4 O66 -","4","1","QD0001","Parvez, Masood; Arayne, M. Saeed; Sabri, Rizwana; Sultana, Najma; 6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","Clarithromycin hydrochloride 3.5-hydrate","Acta Crystallographica Section C","2000","56","9","e398","e399","10.1107/S0108270100010490","","","1.54178","CuKα","","0.109","0.058","","","","0.15","","","","","","1.05","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2011360","7.721","0.002","8.905","0.005","11.231","0.004","97.57","0.04","105.69","0.03","103.6","0.03","706.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(2,6-dimethoxyphenyl)-4H-1-benzopyran-4-one","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","QD0002","Wallet, J.-C.; Molins, Elies; Miravitlles, Carlos","A second triclinic modification of 2',6'-dimethoxyflavone","Acta Crystallographica Section C","2000","56","9","e414","e414","10.1107/S0108270100011008","","","0.71073","MoKα","","0.203","0.055","","","","0.143","","","","","","0.917","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011361","11.1807","0.0011","11.626","0.003","11.7904","0.0016","112.119","0.013","103.677","0.01","96.013","0.014","1347.2","0.5","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cl4 N4 Ni2 O9 -","- C16 H32 Cl4 N4 Ni2 O9 -","- C32 H64 Cl8 N8 Ni4 O18 -","2","1","QD0003","Sung, Nack-Do; Yun, Ki-Seob; Kim, Jin-Gyu; Suh, Il-Hwan","μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate","Acta Crystallographica Section C","2000","56","9","e370","e371","10.1107/S0108270100010507","","","0.71073","MoKα","","0.044","0.032","","","","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011362","12.369","0.002","7.6809","0.0003","15.332","0.003","90","","101.842","0.009","90","","1425.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2,4,6-Trimethyl)phenylazo(3,5-dimethyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","QD0004","Lynch, Daniel E.; Byriel, Karl A.","3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol","Acta Crystallographica Section C","2000","56","9","e400","e400","10.1107/S0108270100010519","","","0.71073","MoKα","","0.073","0.042","","","","0.127","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011363","7.0127","0.0011","12.524","0.002","14.477","0.003","90","","90","","90","","1271.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O4 S -","- C14 H8 N2 O4 S -","- C56 H32 N8 O16 S4 -","4","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.119","0.051","","0.142","","0.1","","","0.963","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011364","14.627","0.003","7.491","0.002","12.344","0.005","90","","98.71","0.03","90","","1336.9","0.7","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C64 H40 N8 O16 -","4","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.149","0.081","","0.289","","0.178","","","1.166","","","1.545","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011365","6.8484","0.001","7.2348","0.0014","16.806","0.003","93.801","0.015","96.783","0.013","105.321","0.013","793.3","0.2","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O6 -","- C18 H14 N2 O6 -","- C36 H28 N4 O12 -","2","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.12","0.045","","0.143","","0.101","","","1.024","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011366","49.542","0.011","10.958","0.003","18.123","0.004","90","","100.03","0.03","90","","9688","4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum","","- C54.5 H54 Cl2 Mo P4 -","- C54.5 H54 Cl2 Mo P4 -","- C436 H432 Cl16 Mo8 P32 -","8","1","QD0007","Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard","Pentane and tetrahydrofuran solvates of <i>trans</i>-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']molybdenum(II)","Acta Crystallographica Section C","2000","56","9","e378","e379","10.1107/S010827010001060X","","","0.71073","MoKα","","0.196","0.074","","","","0.157","","","","","","0.801","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011367","11.3197","0.0011","13.4052","0.0014","17.455","0.002","90","","96.093","0.011","90","","2633.7","0.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum","","- C60 H64 Cl2 Mo O2 P4 -","- C60 H64 Cl2 Mo O2 P4 -","- C120 H128 Cl4 Mo2 O4 P8 -","2","0.5","QD0007","Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard","Pentane and tetrahydrofuran solvates of <i>trans</i>-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']molybdenum(II)","Acta Crystallographica Section C","2000","56","9","e378","e379","10.1107/S010827010001060X","","","0.71073","MoKα","","0.039","0.033","","","","0.094","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011368","3.789","0.007","12.2","0.01","14.99","0.02","90","","94.41","0.01","90","","690.9","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2,3-indolinedione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","QD0008","Naumov, Pance; Anastasova, Frosa; Drew, Michael G. B.; Ng, Seik Weng","5-Fluoroindoline-2,3-dione","Acta Crystallographica Section C","2000","56","9","e406","e407","10.1107/S0108270100010568","","","0.71073","MoKα","","0.088","0.053","","","","0.166","","","","","","1.074","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011369","13.46","0.02","8.62","0.01","17.89","0.02","90","","105.28","0.01","90","","2002","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(imidazole-N^3^)nickel(II) diacetate","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C64 H88 N32 Ni4 O16 -","4","0.5","QD0009","Naumov, Pance; Ristova, Mirjana; Drew, Michael G. B.; Ng, Seik Weng","Bis(acetato-<i>O</i>)tetrakis(imidazole-<i>N</i>^3^)nickel(II)","Acta Crystallographica Section C","2000","56","9","e372","e373","10.1107/S0108270100010520","","","0.71073","MoKα","","0.047","0.036","","","","0.105","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011370","8.571","0.002","12.102","0.002","10.814","0.002","90","","91.53","0.02","90","","1121.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5-fluoro-uracil-1-acetato-O)-zinc(II) tetrahydrate","","- C12 H24 F2 N4 O16 Zn -","- C12 H24 F2 N4 O16 Zn -","- C24 H48 F4 N8 O32 Zn2 -","2","0.5","QD0010","Li, Chang-Zheng; Wang, Liu-Fang; Li, Yi-Zhi; Xia, Chun-Gu; Dai, Rong-Bin","<i>trans</i>-Tetraaquabis(5-fluorouracil-1-acetato-<i>O</i>)zinc(II) tetrahydrate","Acta Crystallographica Section C","2000","56","9","e376","e377","10.1107/S0108270100010593","","","0.71073","MoKα","","0.032","0.03","","","","0.11","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011371","9.987","0.002","8.451","0.002","14.233","0.003","90","","90","","90","","1201.3","0.5","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","QD0011","Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2000","56","9","e380","e381","10.1107/S010827010001101X","","","0.71073","MoKα","","0.031","0.03","","","","0.077","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011372","7.9539","0.0016","9.5523","0.0019","10.695","0.002","97.61","0.03","110.44","0.03","104.17","0.03","716.7","0.3","298","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br F3 O2 -","- C14 H14 Br F3 O2 -","- C28 H28 Br2 F6 O4 -","2","1","QD0013","Coles, Simon J.; Hursthouse, Michael B.","3-(4-Bromophenyl)-2-(3,4-dihydro-2<i>H</i>-pyran-5-yl)-1,1,1-trifluoropropan-2-ol","Acta Crystallographica Section C","2000","56","9","e405","e405","10.1107/S0108270100010556","","","0.71073","MoKα","","","0.058","","","","0.18","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011373","12.1251","0.001","8.132","0.0005","19.5195","0.0015","90","","103.23","0.009","90","","1873.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cesium-tantalum-sulfide","","","- Cs6 S22 Ta4 -","- Cs6 S22 Ta4 -","- Cs12 S44 Ta8 -","2","0.5","QD0016","Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","Cs~6~Ta~4~S~22~","Acta Crystallographica Section C","2000","56","9","e368","e369","10.1107/S0108270100010829","","","0.71073","MoKα","","0.029","0.024","","","","0.059","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011374","7.162","0.002","15.101","0.004","9.035","0.004","90","","96.89","0.02","90","","970.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-[Sn(IV)(C~2~H~4~S~2~)~2~(C~5~H~5~NS)~2~]","trans-bis(ethane-1,2-dithiolato[2-]-S,S~'~)bis(2-mercapto-pyridine)tin(IV)","","- C14 H18 N2 S6 Sn -","- C14 H10 N2 S6 Sn -","- C28 H20 N4 S12 Sn2 -","2","0.5","QD0017","Wu, Li-ming; Chen, Ling; Dai, Jingcao; Lin, Ping; Du, Wen-xin; Wu, Xin-tao","<i>trans</i>-Bis[ethane-1,2-dithiolato(2‒)-<i>S</i>,<i>S</i>']bis(2-mercaptopyridine-<i>S</i>)tin(IV)","Acta Crystallographica Section C","2000","56","9","e382","e382","10.1107/S0108270100011021","","","0.71073","MoKα","","","0.031","","","","0.084","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011375","9.778","0.002","10.879","0.002","5.706","0.002","90","","90","","90","","607","0.3","296.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","0.5","QD0020","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","Methylmalonamide and ethylmalonamide","Acta Crystallographica Section C","2000","56","9","e411","e412","10.1107/S0108270100010866","","","0.7107","MoKα","","","0.0404","","","","0.1146","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011376","6.57","0.001","9.502","0.001","11.032","0.001","90","","96.69","0.01","90","","684.02","0.14","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","QD0020","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","Methylmalonamide and ethylmalonamide","Acta Crystallographica Section C","2000","56","9","e411","e412","10.1107/S0108270100010866","","","0.7107","MoKα","","","0.0509","","","","0.1203","","","","","","1.131","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011377","12.725","0.004","6.167","0.001","10.228","0.002","90","","111.98","0.01","90","","744.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-Dibromosuccinic acid","","- C4 H4 Br2 O4 -","- C4 H4 Br2 O4 -","- C16 H16 Br8 O16 -","4","1","QD0022","Bolte, Michael; Degen, Alexander","<i>rac</i>-2,3-Dibromosuccinic acid","Acta Crystallographica Section C","2000","56","9","e410","e410","10.1107/S0108270100010611","","","0.71073","MoKα","","0.035","0.031","","","","0.081","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011378","34.992","0.004","6.6249","0.0006","14.651","0.002","90","","111.751","0.009","90","","3154.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","none","Bis(μ3-seleno)(η^5^-cyclopentadienyl)hexacarbonyldiironcobalt","","- C11 H5 Co Fe2 O6 Se2 -","- C11 H5 Co Fe2 O6 Se2 -","- C88 H40 Co8 Fe16 O48 Se16 -","8","1","QD0023","Virovets, Alexander V.; Konchenko, Sergey N.","Redetermination of hexacarbonyl(η^5^-cyclopentadienyl)bis(μ~3~-selenido)diiron(II)cobalt(II)","Acta Crystallographica Section C","2000","56","9","e383","e384","10.1107/S0108270100011033","","","0.71069","MoKα","","0.105","0.028","","","","0.062","","","","","","0.693","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011379","18.612","0.008","19.807","0.009","11.087","0.005","90","","95.94","0.03","90","","4065","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzo- thiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide 0.5 dimethylformamide","","- C20.5 H22.5 Br N2.5 O1.5 S -","- C20.5 H22.5 Br N2.5 O1.5 S -","- C164 H180 Br8 N20 O12 S8 -","8","2","SK1354","Kettmann, Viktor; Svetlik, Jan","(6<i>R</i>*,16<i>R</i>*)-9,14-Dihydro-6-methyl-6,16-methano-6<i>H</i>,16<i>H</i>-[2,4]benzothiazepino[3,4-<i>d</i>][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate","Acta Crystallographica Section C","2000","56","9","1115","1116","10.1107/S0108270100006727","","","0.71073","MoKα","","0.181","0.063","","","","0.157","","","","","","0.896","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011380","10.276","0.002","10.276","0.002","30.249","0.004","90","","90","","90","","3194.2","1","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate ?","","- C12 H48 N13 Ni2 O3 S4 Sb -","- C12 H48 N13 Ni2 O3 S4 Sb -","- C48 H192 N52 Ni8 O12 S16 Sb4 -","4","0.25","SK1373","Schur, Michael; Bensch, Wolfgang","Bis[tris(1,2-ethanediamine-<i>N</i>,<i>N</i>')nickel(II)] tetrathioantimonate(V) nitrate","Acta Crystallographica Section C","2000","56","9","1107","1108","10.1107/S0108270100009082","","","0.71073","MoKα","","0.0508","0.031","","","","0.0699","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011381","6.216","0.002","14.219","0.006","9.342","0.003","90","","90.91","0.03","90","","825.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Anilinium hydrogenphosphite","","- C6 H10 N O3 P -","- C6 H10 N O3 P -","- C24 H40 N4 O12 P4 -","4","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0496","0.0283","","","","0.0839","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011382","23.9825","0.0019","5.7253","0.0014","13.891","0.002","90","","109.34","0.011","90","","1799.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium hydrogenoxalate monohydrate","","- C8 H10 N O4.5 -","- C8 H10 N O4.5 -","- C64 H80 N8 O36 -","8","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0451","0.0341","","","","0.1007","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011383","3.9198","0.0001","18.3222","0.0005","7.9352","0.0002","90","","103.221","0.002","90","","554.8","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Nitromethylene)-1,3-dithietane","","- C3 H3 N O2 S2 -","- C3 H3 N O2 S2 -","- C12 H12 N4 O8 S8 -","4","1","SK1398","Shanmuga Sundara Raj, S.; Surya Prakash Rao, H.; Sakthikumar, L.; Fun, Hoong-Kun","2-(Nitromethylene)-1,3-dithietane","Acta Crystallographica Section C","2000","56","9","1113","1114","10.1107/S0108270100009100","","","0.71073","MoKα","","0.0476","0.0384","","","","0.0994","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011384","6.0851","0.0002","18.346","0.0004","11.3499","0.0006","90","","94.02","0.003","90","","1263.95","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","SK1400","Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael","3-(<i>tert</i>-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K","Acta Crystallographica Section C","2000","56","9","1170","1172","10.1107/S0108270100008994","","","0.71068","MoKα","","0.0873","0.0479","","","","0.1394","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011385","4.86","0.003","32.543","0.004","8.538","0.003","90","","94.79","0.04","90","","1345.6","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","TA1290","Smith, Graham; Bott, Raymond C.; Lynch, Daniel E.","The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile","Acta Crystallographica Section C","2000","56","9","1155","1156","10.1107/S010827010000874X","","","0.7107","MoKα","","","0.045","","","","0.043","","","","","","1.795","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011386","8.516","0.003","10.915","0.004","13.054","0.006","90","","95.31","0.01","90","","1208.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[Silver(I)-μ-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']]nitrate]","","- C12 H10 Ag N3 O3 -","- C12 H10 Ag N3 O3 -","- C48 H40 Ag4 N12 O12 -","4","1","TA1291","Tong, Ming-Liang; Chen, Xiao-Ming","<i>catena</i>-Poly[[silver(I)-μ-[(<i>E</i>)-1,2-bis(2-pyridyl)ethylene-<i>N</i>:<i>N</i>']] nitrate]","Acta Crystallographica Section C","2000","56","9","1075","1076","10.1107/S0108270100008647","","","0.71073","MoKα","","0.053","0.034","","","","0.08","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011387","14.2386","0.0009","9.4823","0.0007","28.063","0.002","90","","90","","90","","3788.9","0.5","100","2","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV)","","- C10 H20 Cl4 N4 S2 Te -","- C10 H20 Cl4 N4 S2 Te -","- C80 H160 Cl32 N32 S16 Te8 -","8","2","AV1048","Husebye, Steinar; Törnroos, Karl W.","<i>trans</i>-Tetrachlorobis(<i>N</i>,<i>N</i>'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds","Acta Crystallographica Section C","2000","56","10","1242","1244","10.1107/S0108270100009392","","","0.71073","MoKα","","0.029","0.026","","","","0.052","","","","","","1.182","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011388","12.17","0.002","12.934","0.003","14.112","0.003","66.46","0.03","85.71","0.03","79.46","0.03","2002.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)- bis[diaquanickel(II)] acetate dimetylformamide 0.75-hydrate","","- C38 H48.5 N5 Ni2 O10.75 -","- C38 H48.5 N5 Ni2 O10.75 -","- C76 H97 N10 Ni4 O21.5 -","2","1","BK1519","de Brito, Marcos A.; Bortoluzzi, Adailton J.; Greatti, Alessandra; Ceccato, Augusto S.; Joussef, Antônio C.; Drechsel, Sueli M.","(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate","Acta Crystallographica Section C","2000","56","10","1188","1190","10.1107/S0108270100009379","","","0.71073","MoKα","","0.07","0.038","","","","0.107","","","","","","1.013","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011389","7.4128","0.0007","10.7752","0.001","22.337","0.002","90","","97.538","0.002","90","","1768.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline","","- C17 H20 Cl N3 O4 -","- C17 H20 Cl N3 O4 -","- C68 H80 Cl4 N12 O16 -","4","1","BK1527","Sudbeck, Elise A.; Jennissen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","An inhibitor of Janus kinase 3: 4-(4-hydroxyphenylamino)-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate","Acta Crystallographica Section C","2000","56","10","1282","1283","10.1107/S0108270100007496","","","0.71073","MoKα","","0.082","0.048","","","","0.12","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011390","35.161","0.006","13.763","0.006","18.845","0.003","90","","119.104","0.012","90","","7968","4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(TPPBr4)Fe]2O.2CH2Cl2","","- C90 H52 Br8 Cl4 Fe2 N8 O -","- C90 H52 Br8 Cl4 Fe2 N8 O -","- C360 H208 Br32 Cl16 Fe8 N32 O4 -","4","0.5","BK1532","Li, Ming; Shang, Maoyu; Duval, Hugues F.; Scheidt, W. Robert","μ-Oxo-bis[(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)iron(III)] bis(dichloromethane) solvate","Acta Crystallographica Section C","2000","56","10","1206","1207","10.1107/S0108270100010222","","","0.71073","MoKα","","0.054","0.04","","","","0.099","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011391","22.5868","0.0004","22.5868","0.0004","8.302","0.0001","90","","90","","90","","4235.38","0.12","150","","150","","","","","","","","","3","I 41/a :2","-I 4ad","88","4-(hydroxymethyl)phenanthrene","4-phenanthrenemethanol","","- C15 H12 O -","- C15 H12 O -","- C240 H192 O16 -","16","1","BK1535","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 4-phenanthrenemethanol at 150K","Acta Crystallographica Section C","2000","56","10","1287","1288","10.1107/S0108270100008039","","","0.71073","MoKα","","","0.04","","","","0.102","","","","","","1.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011392","11.9418","0.0006","15.288","0.0008","19.0307","0.001","90","","90.915","0.001","90","","3473.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-p-hydroxybenzoato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II)- tetrakis(μ-butyrato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate","","- C56 H84 O26 Rh4 S4 -","- C56 H84 O26 Rh4 S4 -","- C112 H168 O52 Rh8 S8 -","2","0.5","BK1540","Sveshnikov, Nikolay N.; Dickman, Michael H.; Pope, Michael T.","Bis(dimethyl sulfoxide-<i>S</i>)tetrakis(μ-<i>p</i>-hydroxybenzoato-<i>O</i>:<i>O</i>')dirhodium(II)‒tetrakis(μ-butyrato-<i>O</i>:<i>O</i>')bis(dimethyl sulfoxide-<i>S</i>)dirhodium(II) cocrystal ethanol disolvate","Acta Crystallographica Section C","2000","56","10","1193","1195","10.1107/S0108270100009756","","","0.71073","MoKα","","0.039","0.03","","","","0.079","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011393","5.4734","0.0003","11.4048","0.0006","11.52","0.0006","115.478","0.001","95.941","0.001","93.035","0.001","641.88","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-cyano-2-hydroxy-N-[3-(methylsulphonyl)phenyl]but-2-enamide","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C24 H24 N4 O8 S2 -","2","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.04","0.034","","","","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011394","5.2834","0.0004","10.8265","0.0008","13.1634","0.001","69.009","0.001","81.085","0.001","83.238","0.001","692.91","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-cyano-2-hydroxy-N-[3-bromo-4-(trifluromethoxy)phenyl]but-2-enamide","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.103","0.045","","","","0.131","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011395","8.8002","0.001","5.5336","0.0006","25.852","0.003","90","","97.644","0.001","90","","1247.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyano-2-hydroxy-N-[4-(methylsulfonyl)phenyl]but-2-enamide","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.051","0.044","","","","0.113","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011396","4.5907","0.0006","15.975","0.002","11.173","0.0013","90","","97.187","0.002","90","","812.95","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trichloro-1-isocyanobenzene","","- C7 H2 Cl3 N -","- C7 H2 Cl3 N -","- C28 H8 Cl12 N4 -","4","1","BK1548","Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.","2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile","Acta Crystallographica Section C","2000","56","10","1271","1273","10.1107/S0108270100010234","","","0.71073","MoKα","","0.081","0.039","","0.095","0.083","","","","0.93","1.04","1.04","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011397","3.8742","0.0003","15.8897","0.0013","12.9067","0.0011","90","","90.975","0.002","90","","794.42","0.11","173","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trichlorobenzonitrile","","- C7 H2 Cl3 N -","- C7 H2 Cl3 N -","- C28 H8 Cl12 N4 -","4","1","BK1548","Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.","2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile","Acta Crystallographica Section C","2000","56","10","1271","1273","10.1107/S0108270100010234","","","0.71073","MoKα","","0.034","0.026","","0.068","0.066","","","","1.08","1.13","1.13","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011398","10.45","0.003","6.623","0.003","14.828","0.004","90","","103.31","0.03","90","","998.7","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","Chloramine-B","","","- C6 H8 Cl N Na O3.5 S -","- C6 H8 Cl N Na O3.5 S -","- C24 H32 Cl4 N4 Na4 O14 S4 -","4","1","BM1403","George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy","Chloramine-B sesquihydrate","Acta Crystallographica Section C","2000","56","10","1208","1209","10.1107/S0108270100007617","","","0.71073","MoKα","","0.038","0.0345","","","","0.0795","","","","","","1.146","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2011399","16.224","0.002","15.523","0.003","19.061","0.004","90","","99.25","0.01","90","","4738","1.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rhodamine B","3,6-bis(diethylamino)-1',3'-dihydrospiro[xanthene-9,3'-isobenzofuran]-1'-one","","- C28 H30 N2 O3 -","- C28 H28.211 N2 O3 -","- C224 H225.688 N16 O24 -","8","2","BM1410","Kvick, Åke; Vaughan, Gavin B. M.; Wang, Xiqing; Sun, Yuan; Long, Yingcai","A synchrotron-radiation study of the lactone form of rhodamine B at 120K","Acta Crystallographica Section C","2000","56","10","1232","1233","10.1107/S0108270100008404","","","0.496","synchrotron","","0.089","0.058","","","","0.151","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011400","11.47","0.003","9.966","0.006","16.023","0.001","90","","90","","90","","1831.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Arginine","DL-2-amino-5-guanidovaleric acid","","- C6 H16 N4 O3 -","- C6 H16 N4 O3 -","- C48 H128 N32 O24 -","8","1","BM1417","Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter","<small>DL</small>-Arginine monohydrate at 100K","Acta Crystallographica Section C","2000","56","10","1274","1276","10.1107/S0108270100010325","","","0.71073","MoKα","","0.0346","0.0344","","","","0.0796","","","","","","1.121","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011401","9.124","0.001","26.061","0.003","7.328","0.001","90","","90","","90","","1742.5","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","BM1420","Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.","A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","Acta Crystallographica Section C","2000","56","10","1277","1279","10.1107/S0108270100010337","","","0.6891","synchrotron","","0.075","0.057","","","","0.138","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011402","32.339","0.006","5.732","0.001","9.411","0.002","90","","102.815","0.004","90","","1701","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","BM1420","Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.","A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","Acta Crystallographica Section C","2000","56","10","1277","1279","10.1107/S0108270100010337","","","0.6891","synchrotron","","0.064","0.049","","","","0.141","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011403","8.614","0.002","19.363","0.004","12.473","0.003","90","","95.59","0.03","90","","2070.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ca N2 O12 Zn2 -","- C36 H44 Ca N2 O12 Zn2 -","- C72 H88 Ca2 N4 O24 Zn4 -","2","0.5","BM1424","Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun","Two mixed-metal carboxylate‒base adducts","Acta Crystallographica Section C","2000","56","10","1198","1200","10.1107/S0108270100009999","","","0.71073","MoKα","","0.062","0.05","","","","0.155","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","203567","2020-10-21","18:00:00",""
"2011404","20.571","0.0005","13.9851","0.0003","18.8102","0.0004","90","","103.814","0.007","90","","5254.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Ca Co2 N2 O12 -","- C48 H68 Ca Co2 N2 O12 -","- C192 H272 Ca4 Co8 N8 O48 -","4","0.5","BM1424","Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun","Two mixed-metal carboxylate‒base adducts","Acta Crystallographica Section C","2000","56","10","1198","1200","10.1107/S0108270100009999","","","0.71073","MoKα","","0.099","0.062","","","","0.135","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011405","6.2757","0.0013","8.026","0.002","8.09","0.002","90.37","0.03","107.03","0.03","90.86","0.03","389.55","0.17","203","2","203","2","","","","","","","","4","P -1","-P 1","2","Barium hydroxyde iodide tetra-hydrate","Tetraaquabarium hydroxide iodide","","- Ba H9 I O5 -","- Ba H9 I O5 -","- Ba2 H18 I2 O10 -","2","1","BR1264","Fromm, Katharina M.; Goesmann, Helmut","On the way to sol‒gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H~2~O)~4~]","Acta Crystallographica Section C","2000","56","10","1179","1180","10.1107/S0108270100009586","","","0.71073","MoKa","","0.017","0.016","","0.039","","0.039","","","1.164","","","1.169","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011406","8.121","0.001","8.121","0.001","13.672","0.003","90","","90","","90","","901.7","0.3","293","2","293","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Potassium sodium tin selenide","","- K3 Na Se8 Sn3 -","- K3 Na Se8 Sn3 -","- K6 Na2 Se16 Sn6 -","2","0.125","BR1296","Chen, Xuean; Huang, Xiaoying; Li, Jing","Potassium sodium tin selenide, K~3~NaSn~3~Se~8~","Acta Crystallographica Section C","2000","56","10","1181","1182","10.1107/S0108270100010106","","","0.71073","MoKα","","0.046","0.029","","","","0.071","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011407","10.7358","0.001","15.8301","0.0012","13.4377","0.0008","90","","110.482","0.006","90","","2139.3","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 O2 S2 -","- C25 H18 N2 O2 S2 -","- C100 H72 N8 O8 S8 -","4","1","DA1140","Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas","Bis(4-propargyloxy-3-quinolylthio)methane","Acta Crystallographica Section C","2000","56","10","1234","1235","10.1107/S0108270100008611","","","0.71073","MoKα","","0.0709","0.0476","","","","0.1051","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011408","7.4077","0.0011","22.064","0.003","11.585","0.002","90","","90","","90","","1893.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ni(t-salpd)","","","- C19 H24 N2 Ni O6 -","- C19 H24 N2 Ni O6 -","- C76 H96 N8 Ni4 O24 -","4","0.5","DA1141","Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar","Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2000","56","10","1201","1203","10.1107/S010827010001009X","","","0.71073","MoKα","","0.049","0.037","","0.105","","0.093","","","1.05","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011409","8.221","0.001","9.223","0.001","9.483","0.001","109.144","0.002","101.536","0.002","114.01","0.002","572.3","0.11","298","2","","","","","","","","","","6","P -1","-P 1","2","","diaquabis[bis(pyrazol-1-yl-κN^2^)methane]copper(II) diperchlorate","","- C14 H20 Cl2 Cu N8 O10 -","- C14 H20 Cl2 Cu N8 O10 -","- C14 H20 Cl2 Cu N8 O10 -","1","0.5","DE1144","Zhang, Lei; Du, Miao; Tang, Liang-Fu; Leng, Xue-Bing; Wang, Zhi-Hong","A novel three-dimensional copper(II) network <i>via</i> hydrogen bonds: diaquabis[bis(pyrazol-1-yl-κ<i>N</i>^2^)methane]copper(II) diperchlorate","Acta Crystallographica Section C","2000","56","10","1210","1212","10.1107/S0108270100009434","","","0.71073","MoKα","","","0.042","","","","0.124","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011410","5.37","0.005","8.971","0.008","9.92","0.009","90","","90","","90","","477.9","0.8","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxycyclopent-2-enone","3-Hydroxycyclopent-2-enone","","- C5 H6 O2 -","- C5 H6 O2 -","- C20 H24 O8 -","4","1","DE1148","Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.","Two crystalline modifications of 2-hydroxycyclopent-2-enone","Acta Crystallographica Section C","2000","56","10","1251","1253","10.1107/S0108270100009550","","","0.71073","MoKα","","0.0451","0.0315","","","","0.0697","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011411","9.1","0.007","10.761","0.008","10.124","0.007","90","","106.491","0.011","90","","950.6","1.2","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-Hydroxycyclopent-2-enone","3-Hydroxycyclopent-2-enone","","- C5 H6 O2 -","- C5 H6 O2 -","- C40 H48 O16 -","8","2","DE1148","Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.","Two crystalline modifications of 2-hydroxycyclopent-2-enone","Acta Crystallographica Section C","2000","56","10","1251","1253","10.1107/S0108270100009550","","","0.71073","MoKα","","0.0937","0.0434","","","","0.1151","","","","","","0.914","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011412","16.124","0.002","16.371","0.002","17.766","0.001","81.676","0.003","66.289","0.002","80.05","0.003","4214.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trimetrexate","2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline","","- C80 H110 N20 O17 S2 -","- C80 H110 N20 O17 S2 -","- C160 H220 N40 O34 S4 -","2","1","FG1597","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","The antifolate trimetrexate: observation of the enzyme-binding conformation","Acta Crystallographica Section C","2000","56","10","1225","1227","10.1107/S0108270100008349","","","0.71073","MoKα","","0.198","0.065","","","","0.168","","","","","","0.877","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011413","13.532","0.003","15.223","0.005","12.755","0.003","101.98","0.02","106.91","0.02","83.71","0.02","2455.7","1.2","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 B2 Cl2 F40 Ga12 O16 -","- C72 H56 B2 Cl1.99 F40 Ga12 O16 -","- C72 H56 B2 Cl1.99 F40 Ga12 O16 -","1","0.5","FG1603","Swenson, Dale C.; Dagorne, Samuel; Jordan, Richard F.","A dicationic gallium‒oxo‒hydroxide cage compound","Acta Crystallographica Section C","2000","56","10","1213","1215","10.1107/S0108270100009902","","","0.71073","MoKα","","0.132","0.056","","","","0.122","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011414","8.268","0.004","17.802","0.007","14.707","0.008","90","","93.32","0.02","90","","2161","1.8","301","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.186","0.071","","","","0.25","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011415","8.462","0.006","7.637","0.006","33.44","0.02","90","","94.48","0.02","90","","2154","3","301","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.195","0.085","","","","0.263","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011416","8.714","0.008","16.167","0.014","16.948","0.014","90","","90","","90","","2388","4","301","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4,5-trimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxyca rbonyl) (III)","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.125","0.069","","","","0.22","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011417","9.1099","0.0007","15.9279","0.0015","20.5073","0.0019","90","","100.445","0.002","90","","2926.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Astemizole tetrachlorocuprate(II)","1-[(4-Fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-4-yl}- 1H-benzimidazol-2-ammonium tetrachloro copper(II).","","- C28 H33 Cl4 Cu F N4 O -","- C28 H33 Cl4 Cu F N4 O -","- C112 H132 Cl16 Cu4 F4 N16 O4 -","4","1","FR1280","Parvez, Masood; Braitenbach, Kristin","Astemizole tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","10","1216","1217","10.1107/S0108270100007733","","","0.71073","MoKα","","0.142","0.051","","","","0.101","","","","","","0.81","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011418","10.4286","0.0002","9.1195","0.0002","11.3748","0.0002","90","","112.299","0.0011","90","","1000.88","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(2-hydroxy-1,1-dimethylethyl)benzamide","N-(2-hydroxy-1,1-dimethylethyl)benzamide","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","FR1281","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in <i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide at 150K","Acta Crystallographica Section C","2000","56","10","1218","1219","10.1107/S0108270100007629","","","0.71073","MoKα","","","0.038","","","","0.098","","","","","","1.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011419","8.3604","0.0002","8.1567","0.0001","19.1388","0.0004","90","","95.467","0.001","90","","1299.2","0.04","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,4,5,7-tetramethylphenanthrene#","","","- C18 H18 -","- C18 H18 -","- C72 H72 -","4","1","FR1287","Gerkin, Roger E.","2,4,5,7-Tetramethylphenanthrene at 150K","Acta Crystallographica Section C","2000","56","10","1220","1221","10.1107/S010827010000843X","","","0.71073","MoKα","","","0.043","","","","0.096","","","","","","1.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011420","16.8468","0.0003","37.3753","0.0007","13.8418","0.0003","90","","90","","90","","8715.5","0.3","150","","150","","","","","","","","","3","P n n a","-P 2a 2bc","52","2-[1-(1-naphthyl)ethyl]benzoic acid","","","- C19 H16 O2 -","- C19 H16 O2 -","- C456 H384 O48 -","24","3","FR1289","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K","Acta Crystallographica Section C","2000","56","10","1222","1224","10.1107/S0108270100009781","","","0.71073","MoKα","","","0.055","","","","0.076","","","","","","1.67","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011421","6.7449","0.0008","9.8755","0.0013","13.878","0.002","81.586","0.01","86.189","0.01","88.519","0.009","912.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5-oxocyclooctanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1293","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","5-Oxocyclooctanecarboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring ε-keto acid","Acta Crystallographica Section C","2000","56","10","1260","1262","10.1107/S0108270100009793","","","0.71073","MoKα","","0.107","0.067","","","","0.178","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011422","22.195","0.006","5.2607","0.0013","25.413","0.003","90","","98.938","0.015","90","","2931.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzyl 2-carboxy-3-ethyl-4-methylpyrrole-5-carboxylate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","GD1110","Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A.","Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate","Acta Crystallographica Section C","2000","56","10","1263","1264","10.1107/S010827010000980X","","","0.71073","MoKα","","0.138","0.041","","","","0.129","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011423","28.945","0.003","6.5473","0.0009","27.526","0.002","90","","117.622","0.007","90","","4621.9","0.9","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","DSI(Diaryl Sulfonyl Imidazolone)","[(S)-(+)-4-Phenyl-1-[1-(4-aminobenzoyl)indoline-5-sulfonyl]-4,5-dihydro- 2-imidazolone] 0.5-hydrochloride","","- C48 H45 Cl N8 O8 S2 -","- C48 H45 Cl N8 O8 S2 -","- C192 H180 Cl4 N32 O32 S8 -","4","1","GG1010","Park, Kyung-Lae; Moon, Byoung-Gi; Jung, Sang-Hun; Kim, Jin-Gyu; Suh, Il-Hwan","Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt","Acta Crystallographica Section C","2000","56","10","1247","1250","10.1107/S0108270100009495","","","0.71069","MoKα","","0.082","0.048","","","","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011424","14.934","0.001","10.115","0.001","15.74","0.001","90","","113.049","0.005","90","","2187.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","terbogrel","E-6-[4-(3-tert-butyl-2-cyanoguanidino)phenyl]-6-(3-pyridyl)hex-5-enoic acid","","- C23 H27 N5 O2 -","- C23 H27 N5 O2 -","- C92 H108 N20 O8 -","4","1","GS1099","Michaux, Catherine; Norberg, Bernadette; Dogné , Jean-Michel; Durant, François; Masereel, Bernard; Delarge, Jacques; Wouters, Johan","Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition","Acta Crystallographica Section C","2000","56","10","1265","1266","10.1107/S0108270100009872","","","1.54178","CuKα","","0.047","0.036","","","","0.105","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011425","13.8976","0.0001","7.5553","0.0001","17.3704","0.0002","90","","97.947","0.001","90","","1806.39","0.03","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl6 N12 Si2 -","- C26 H40 Cl6 N12 Si2 -","- C52 H80 Cl12 N24 Si4 -","2","0.5","JZ1418","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","The addition-reaction product of 1,1,1,4,4,4-hexachloro-1,4-disilabutane with <i>N</i>-methylimidazole","Acta Crystallographica Section C","2000","56","10","1245","1246","10.1107/S0108270100009471","","","0.71073","MoKα","","0.0637","0.041","","0.0847","0.0774","0.0847","","","1.078","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011426","11.6811","0.0002","9.8679","0.0002","11.13","0.0002","90","","93.482","0.001","90","","1280.56","0.04","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H9 Br4 N Ti -","- C7 H9 Br4 N Ti -","- C28 H36 Br16 N4 Ti4 -","4","1","JZ1419","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Tetrabromo(2,6-dimethylpyridine-<i>N</i>)titanium(IV), a twinned crystal structure","Acta Crystallographica Section C","2000","56","10","1196","1197","10.1107/S0108270100009811","","","0.71073","MoKα","","0.04","0.034","","","","0.068","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011427","10.1311","0.0003","12.2128","0.0004","14.3972","0.0005","82.423","0.002","80.855","0.003","82.344","0.002","1731.85","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","η(1‒5)-4-ferrocenyl-1,2,5,6-tetrakis(trimethylsilyl)cyclohexa-2,4-dien-1-yl- (η^5^-cyclopentadienyl)titanium(II)","","- C33 H52 Fe Si4 Ti -","- C33 H52 Fe Si4 Ti -","- C66 H104 Fe2 Si8 Ti2 -","2","1","JZ1420","Štěpnička, Petr; Císařová, Ivana; Horáček, Michal; Mach, Karel","A ferrocenyl-substituted pseudotitanocene complex","Acta Crystallographica Section C","2000","56","10","1204","1205","10.1107/S0108270100010167","","","0.71073","MoKα","","0.06","0.045","","","","0.113","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011428","19.7221","0.0009","4.8605","0.0002","10.2699","0.0005","90","","97.121","0.001","90","","976.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-cis S-Benzyl dithiocarbazate","","- C8 H10 N2 S2 -","- C8 H10 N2 S2 -","- C32 H40 N8 S8 -","4","1","NA1480","Shanmuga Sundara Raj, S.; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Tarafder, M. T. H.; Fun, Hoong-Kun","<i>trans</i>‒<i>cis</i> <i>S</i>-Benzyl dithiocarbazate","Acta Crystallographica Section C","2000","56","10","1236","1237","10.1107/S0108270100009276","","","0.71073","MoKα","","0.075","0.06","","","","0.113","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011429","8.553","0.005","13.127","0.003","11.819","0.003","106.21","0.02","82.77","0.03","99.72","0.03","1251.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[K(DB18C6)]~2~[Pt(SCN)~4~]","[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.1^9,14^]hexacosa- 1(22)9(14),10,12,23,25-hexadiene-κ^6^O]potassium(I) tetrakis(thiocyanato-S)platinum(II)","","- C44 H48 K2 N4 O12 Pt S4 -","- C44 H48 K2 N4 O12 Pt S4 -","- C44 H48 K2 N4 O12 Pt S4 -","1","0.5","OA1101","Li, Xue; Dou, Jian-Min; Liu, Ying; Zhu, Lan-Ying; Zheng, Pei-Ju","A novel Pt^II^‒dibenzo-18-crown-6 (DB18C6) complex","Acta Crystallographica Section C","2000","56","10","1185","1187","10.1107/S010827010000929X","","","0.71073","MoKα","","0.034","0.025","","","","0.075","","","","","","0.906","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2011430","6.5948","0.0017","9.493","0.003","19.64","0.005","90","","90","","90","","1229.6","0.6","298","2","298","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","sodium calcium tantalate","trisodium dicalcium tantalum hexoxide","","- Ca2 Na3 O6 Ta -","- Ca2 Na3 O6 Ta -","- Ca16 Na24 O48 Ta8 -","8","0.25","OA1102","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement","Acta Crystallographica Section C","2000","56","10","1177","1178","10.1107/S0108270100009306","","","0.71073","MoKα","","0.024","0.015","","","","0.035","","","","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011431","22.155","0.002","7.744","0.0008","13.6293","0.0015","90","","102.906","0.002","90","","2279.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(1,10-bis(mercaptobenzylyl)-4,7-dioxadecane)palladium(II)","","- C20 H26 Cl2 O2 Pd S2 -","- C20 H26 Cl2 O2 Pd S2 -","- C80 H104 Cl8 O8 Pd4 S8 -","4","1","OB1036","Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon","<i>trans</i>-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2000","56","10","1191","1192","10.1107/S010827010000946X","","","0.71073","MoKα","","0.1175","0.0681","","","","0.1996","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011432","12.6304","0.0008","11.3329","0.001","7.0306","0.0006","90","","97.197","0.006","90","","998.42","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-oxoimidazolidinyl)ethyl 2-methylprop-2-enoate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","OS1113","Spirlet, Marie-Rose; Desreux, Jean F.; Riondel, Alain; Herbst, Gilles; Goudiakas, Jean","2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate","Acta Crystallographica Section C","2000","56","10","1258","1259","10.1107/S0108270100009835","","","0.71073","MoKα","","0.045","0.032","","","","0.09","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011433","7.4538","0.0008","7.5568","0.0007","17.6385","0.0013","90","","90","","90","","993.52","0.16","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","OS1119","Ellis, Dianne D.; Spek, Anthony L.","(5<i>S</i>)-3-Oxo-4-oxa-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate","Acta Crystallographica Section C","2000","56","10","1269","1270","10.1107/S0108270100010179","","","0.71073","MoKα","","0.0395","0.0341","","","","0.0825","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011434","18.4896","0.0003","14.4128","0.0005","18.6685","0.0006","90","0.01","97.977","0.003","90","0.01","4926.8","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N5 O4 S -","- C26 H22 N5 O4 S -","- C208 H176 N40 O32 S8 -","8","2","QA0295","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Éthyl 5-méthylthio-3-(4-nitrophényl)-3a-phényl-3a,4-dihydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate","Acta Crystallographica Section C","2000","56","10","e457","e458","10.1107/S0108270100011677","","","0.71073","MoKα","","0.083","0.064","","0.063","","0.061","","","1.924","","","1.806","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011435","14.4861","0.0005","16.872","0.001","17.9161","0.0006","90","0.01","152.698","0.002","90","0.01","2008.5","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","1","QA0297","Aatif, A.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépin-5-one","Acta Crystallographica Section C","2000","56","10","e459","e460","10.1107/S0108270100011689","","","0.71073","MoKα","","0.075","0.05","","0.058","","0.057","","","1.451","","","1.399","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011436","9.9313","0.0018","10.3818","0.0014","23.253","0.002","90","","90","","90","","2397.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","QA0324","SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D.","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","Acta Crystallographica Section C","2000","56","10","e479","e480","10.1107/S0108270100012117","","","1.54184","CuKα","","0.055","0.044","","","","0.176","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011437","9.446","0.001","11.486","0.001","14.342","0.001","90","","93.14","0.01","90","","1553.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mer-trichlorotris(thiazole)ruthenium(III)","mer-trichlorotris(thiazole)ruthenium(III)","","- C9 H9 Cl3 N3 Ru S3 -","- C9 H9 Cl3 N3 Ru S3 -","- C36 H36 Cl12 N12 Ru4 S12 -","4","1","QA0327","Pifferi, Claudia; Cini, Renzo","<i>mer</i>-Trichlorotris(1,3-thiazole-<i>N</i>)ruthenium(III)","Acta Crystallographica Section C","2000","56","10","e439","e440","10.1107/S0108270100012191","","","0.71073","MoKα","","0.03","0.0232","","","","0.0554","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011438","8.81","0.002","11.047","0.002","15.085","0.003","90","","98.67","0.03","90","","1451.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetramethylammonium di-chloro-di-μ~2~-oxo-tetra-μ~2~-methoxotetradioxo -tetramolybdate(VI)","","- C12 H36 Cl2 Mo4 N2 O14 -","- C12 H36 Cl2 Mo4 N2 O14 -","- C24 H72 Cl4 Mo8 N4 O28 -","2","0.5","QA0331","Strukan, Neven; Cindrić, Marina; Kajfež, Tanja; Kamenar, Boris; Giester, Gerald","The polyoxometallate [(CH~3~)~4~N]~2~[Mo~4~O~10~(OCH~3~)~4~Cl~2~]","Acta Crystallographica Section C","2000","56","10","e443","e444","10.1107/S0108270100012233","","","0.71073","MoKα","","0.041","0.031","","","","0.079","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011439","13.5897","0.0005","10.0316","0.0004","22.624","0.001","90","","147.261","0.003","90","","1668","0.18","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu F6 N8 O10 S2 -","- C26 H20 Cu F6 N8 O9.94 S2 -","- C52 H40 Cu2 F12 N16 O19.88 S4 -","2","0.5","QA0347","Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.","Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (<i>M</i> = Cu and~Ni)","Acta Crystallographica Section C","2000","56","10","e426","e428","10.1107/S0108270100011707","","","0.71073","MoKα","","0.076","0.065","","0.074","","0.074","","","1.496","","","1.635","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011440","13.6569","0.0009","10.963","0.0007","18.921","0.001","90","0.01","147.752","0.003","90","0.01","1511.6","0.2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 N8 Ni O12 -","- C24 H16 Cl2 N8 Ni O12 -","- C48 H32 Cl4 N16 Ni2 O24 -","2","0.5","QA0347","Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.","Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (<i>M</i> = Cu and~Ni)","Acta Crystallographica Section C","2000","56","10","e426","e428","10.1107/S0108270100011707","","","0.71073","MoKα","","0.088","0.086","","0.075","","0.073","","","2.272","","","2.154","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011441","7.6475","0.0004","9.2255","0.0003","17.521","0.005","90","0.01","99.122","0.002","90","0.01","1220.5","0.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","QA0354","Ferfra, S.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.","3-(Ethoxycarbonyldihydroxymethyl)-2-oxo-1,2-dihydroquinoxaline","Acta Crystallographica Section C","2000","56","10","e463","e464","10.1107/S0108270100012142","","","0.71073","MoKα","","0.066","0.049","","0.054","","0.054","","","1.479","","","1.472","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011442","10.105","0.003","18.133","0.003","15.59","0.005","90","","103.29","0.02","90","","2780.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cu N6 O15 Pt -","- C17 H22 Cu N6 O15 Pt -","- C68 H88 Cu4 N24 O60 Pt4 -","4","1","QA0355","Song, Rita; Kim, Kwan Mook; Sohn, Youn Soo","A zigzag-type one-dimensional coordination polymer formed by (2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II) and copper nitrate","Acta Crystallographica Section C","2000","56","10","e447","e447","10.1107/S0108270100012488","","","0.71073","MoKα","","0.043","0.034","","","","0.091","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011443","9.9783","0.0003","20.4064","0.0007","11.1476","0.0003","90","0.01","93.231","0.002","90","0.01","2266.28","0.12","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O6 -","- C24 H25 Cl N2 O6 -","- C96 H100 Cl4 N8 O24 -","4","1","QA0359","Benelbaghdadi, R.; Benharref, A.; Hasnaoui, A.; Lavergne, J. P.; Pierrot, M.; Huet, F.","Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-<i>d</i>][1,4]benzodiazépine-2,3-carboxylate","Acta Crystallographica Section C","2000","56","10","e461","e462","10.1107/S0108270100012130","","","0.71073","MoKα","","0.053","0.041","","0.047","","0.047","","","1.492","","","1.53","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011444","9.586","0.003","8.279","0.002","11.096","0.005","90","","99.74","0.02","90","","867.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C32 H46 N2 O16 -","2","1","QA0365","Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C.","1,2,7,8-Tetra-<i>O</i>-acetylaustraline","Acta Crystallographica Section C","2000","56","10","e477","e478","10.1107/S0108270100012099","","","0.71069","MoKα","","0.081","0.053","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011445","27.981","0.006","15.523","0.003","8.9366","0.0018","90","","90","","90","","3881.6","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]- μ-2-aminopyrimidine-N^1^:N^3^]","","- C40 H41 Cu2 N3 O12 -","- C40 H41 Cu2 N3 O12 -","- C160 H164 Cu8 N12 O48 -","4","1","QA0366","Lynch, Daniel E.; Duckhouse, Helen L.","<i>catena</i>-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-<i>O</i>:<i>O</i>']dicopper(II)]-μ-2-aminopyrimidine-<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2000","56","10","e425","e425","10.1107/S0108270100011653","","","0.71073","MoKα","","0.117","0.049","","","","0.096","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011446","9.7508","0.0007","9.7508","0.0007","28.177","0.002","90","","90","","120","","2320.1","0.3","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 Nd O21 -","- C12 H24 B2 F8 Na5 Nd O21 -","- C36 H72 B6 F24 Na15 Nd3 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.022","0.022","","","","0.055","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011447","9.7223","0.0011","9.7223","0.0011","28.0728","0.0014","90","","90","","120","","2298","0.4","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 O21 Sm -","- C12 H24 B2 F8 Na5 O21 Sm -","- C36 H72 B6 F24 Na15 O63 Sm3 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.014","0.014","","","","0.037","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011448","9.7041","0.001","9.7041","0.001","28.025","0.006","90","","90","","120","","2285.5","0.6","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Gd Na5 O21 -","- C12 H24 B2 F8 Gd Na5 O21 -","- C36 H72 B6 F24 Gd3 Na15 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.012","0.012","","","","0.032","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011449","8.828","0.006","15.174","0.005","16.42","0.007","113.52","0.03","99.27","0.04","83.53","0.04","1987.6","1.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-2,3-Dibenzoyl-2-butenedioic acide diethyl ester","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","2","QA0371","Li, Yi-Zhi; Dai, Rong-Bin; Wu, An-Xin; Wang, Min; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu","Diethyl <i>trans</i>-2,3-dibenzoyl-2-butenedioate","Acta Crystallographica Section C","2000","56","10","e455","e456","10.1107/S0108270100011665","","","0.71073","MoKα","","0.018","0.017","","","","0.058","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011450","8.8218","0.0005","9.8252","0.0006","10.1163","0.0006","90","","90","","90","","876.8","0.2","298","","298","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mansfieldite","- Al As H4 O6 -","- Al As H4 O6 -","- Al8 As8 H32 O48 -","8","1","","Harrison, William T. A.","Synthetic mansfieldite, AlAsO~4~.2H~2~O","Acta Crystallographica, Section C","2000","56","","e421","e421","10.1107/S0108270100011690","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2011451","11.3793","0.0002","5.924","0.0001","12.1901","0.0001","90","","115.31","","90","","742.865","0.019","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 N4 Ni -","- C12 H16 Cl2 N4 Ni -","- C24 H32 Cl4 N8 Ni2 -","2","0.5","QA0378","Maxcy, Karen R.; Smith, Randy; Willett, Roger D.; Vij, Ashwani","Dichlorobis(1,2-phenylenediamine)nickel(II)","Acta Crystallographica Section C","2000","56","10","e454","e454","10.1107/S0108270100012476","","","0.71073","MoKα","","0.025","0.023","","","","0.057","","","","","","1.218","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011452","8.3328","0.0017","11.68","0.002","11.724","0.002","90","","106.92","0.03","90","","1091.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-DMAP)2[SnCl6]","4-Dimethylaminopyridinium hexachlorostanate","","- C14 H22 Cl6 N4 Sn -","- C14 H22 Cl6 N4 Sn0.989 -","- C28 H44 Cl12 N8 Sn1.978 -","2","0.5","QA0379","Willett, Roger D.; Haddad, Salim F.","Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV)","Acta Crystallographica Section C","2000","56","10","e438","e438","10.1107/S0108270100012129","","","0.71073","MoKα","","0.032","0.025","","","","0.065","","","","","","1.186","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011453","30.523","0.006","8.4111","0.0017","13.914","0.003","90","","94.4","0.03","90","","3561.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide","","- C18 H14 Mn N3 O7 -","- C18 H14 Mn N3 O7 -","- C144 H112 Mn8 N24 O56 -","8","1","QA0380","Li, Yi-Zhi; Wang, Min; Wang, Liu-Fang; Xia, Chun-Gu","Bis(pyridinecarboxylato-<i>O</i>,<i>N</i>)(pyridinecarboxylic acid-<i>O</i>,<i>N</i>)manganese(III) hydroxide","Acta Crystallographica Section C","2000","56","10","e445","e446","10.1107/S0108270100012245","","","0.71073","MoKα","","0.029","0.029","","","","0.067","","","","","","0.86","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011454","17.304","0.004","13.055","0.003","19.444","0.004","90","","105.8","0.02","90","","4226.5","1.7","300","2","300","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H70 Cl Li N3 Ni O3 P3 -","- C30 H70 Cl Li N3 Ni O3 P3 -","- C120 H280 Cl4 Li4 N12 Ni4 O12 P12 -","4","1","QA0381","Kuchen, Wilhelm; Wunderlich, Hartmut","Three different functions of a phosphinic amidato ligand in <i>L</i>Ni(<i>L</i>Li)(<i>L</i>H) {<i>L</i> = [^<i>t^</i>Bu~2~P(O)NEt]^{-^}}","Acta Crystallographica Section C","2000","56","10","e434","e434","10.1107/S0108270100012075","","","0.71073","MoKα","","0.092","0.045","","","","0.133","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011455","20.612","0.01","10.053","0.005","13.507","0.007","90","","127.264","0.007","90","","2227.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br8 Cu N6 -","- C10 H12 Br8 Cu N6 -","- C40 H48 Br32 Cu4 N24 -","4","0.5","QA0382","Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II)","Acta Crystallographica Section C","2000","56","10","e437","e437","10.1107/S0108270100012105","","","0.71073","MoKα","","0.076","0.05","","","","0.129","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011456","9.598","0.003","16.056","0.004","18.112","0.004","90","","100.88","0.02","90","","2741","1.3","173","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(t-butyl-3-oxobutanoato)iron(III)","","- C24 H39 Fe O9 -","- C24 H39 Fe O9 -","- C96 H156 Fe4 O36 -","4","1","QA0385","Urs, Usha K.; Shalini, K.; Shivashankar, S. A.; Guru Row, T. N.","Low-temperature tris(<i>tert</i>-butyl 3-oxobutanoato)iron(III)","Acta Crystallographica Section C","2000","56","10","e448","e449","10.1107/S010827010001249X","","","0.71069","MoKα","","","0.062","","","","0.173","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011457","9.3491","0.0015","9.7506","0.0012","10.3634","0.0016","83.938","0.011","75.667","0.012","64.891","0.01","828.8","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","Tetraimidazolium octamolybdate(VI)","","","- C12 H20 Mo8 N8 O26 -","- C12 H20 Mo8 N8 O26 -","- C12 H20 Mo8 N8 O26 -","1","0.5","QA0386","Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A.","A new inorganic‒organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion","Acta Crystallographica Section C","2000","56","10","e441","e442","10.1107/S0108270100012221","","","0.71069","MoKα","","0.031","0.024","","","","0.076","","","","","","0.927","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011458","13.798","0.003","9.335","0.0019","13.729","0.003","90","","107.42","0.03","90","","1687.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 N2 O2 Sn -","- C10 H24 Br2 N2 O2 Sn -","- C40 H96 Br8 N8 O8 Sn4 -","4","1","QA0387","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","<i>cis</i>-Dibromo-<i>trans</i>-dimethyl-<i>cis</i>-bis(<i>N</i>,<i>N</i>-dimethylacetamide)tin(IV)","Acta Crystallographica Section C","2000","56","10","e452","e453","10.1107/S010827010001221X","","","0.71073","MoKα","","0.043","0.033","","","","0.078","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011459","9.3218","0.0007","9.3218","0.0007","73.631","0.008","90","","90","","120","","5541","0.8","170","2","170","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","(1S,2S)-1,2-bis(2'-thiophenyl)cyclopentane bis-(-)- menthylcarbonate","","- C39 H54 O4 S2 -","- C39 H54 O4 S2 -","- C234 H324 O24 S12 -","6","0.5","QA0388","Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario","Absolute configuration of a <i>C</i>~2~-symmetric bis(thiophenol)","Acta Crystallographica Section C","2000","56","10","e484","e484","10.1107/S0108270100012506","","","0.71073","MoKα","","0.093","0.045","","","","0.119","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011460","5.7874","0.0007","7.5327","0.0007","25.3418","0.0019","90","","94.227","0.008","90","","1101.76","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","organofluorine derivative","N-arylenamine-3-chloro-4-fluoroaniline","","- C13 H9 Cl F N -","- C13 H9 Cl F N -","- C52 H36 Cl4 F4 N4 -","4","1","QD0015","Arjuna Gowda, K. V.; Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","(<i>E</i>)-<i>N</i>-Benzylidene-3-chloro-4-fluoroaniline","Acta Crystallographica Section C","2000","56","10","e481","e482","10.1107/S0108270100012166","","","1.5418","CuKα","","0.041","0.035","","","","0.123","","","","","","0.976","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011461","10.574","0.003","12.983","0.004","19.239","0.006","90","","103.99","0.02","90","","2562.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(n-butyldiphenylphosphine)dichloro(η^6^-p-cymeme)ruthenium(II)","","- C26 H33 Cl2 P Ru -","- C26 H33 Cl2 P Ru -","- C104 H132 Cl8 P4 Ru4 -","4","1","QD0018","Bruno, Giuseppe; Panzalorto, Manuela; Nicoló, Francesco; Arena, Carmela Grazia; Cardiano, Paola","(<i>n</i>-Butyldiphenylphosphine)dichloro(η^6^-<i>p</i>-cymeme)ruthenium(II)","Acta Crystallographica Section C","2000","56","10","e429","e429","10.1107/S0108270100011896","","","0.71073","MoKα","","0.109","0.057","","","","0.159","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011462","4.9475","0.0005","8.2059","0.0012","35.213","0.005","90","","90","","90","","1429.6","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Alanine-tryptophan monohydrate","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C56 H76 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.029","0.026","","","","0.063","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011463","5.8404","0.0006","8.2429","0.0008","14.8299","0.001","90","","96.178","0.008","90","","709.79","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glycine-tryptophan dihydrate","","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.035","0.034","","","","0.08","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011464","16.128","0.002","16.128","0.002","5.195","0.001","90","","90","","90","","1351.3","0.4","295","2","295","2","","","","","","","","4","P 41","P 4w","76","Tryptophan-glycine monohydrate","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.117","0.061","","","","0.147","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011465","7.415","0.003","8.353","0.004","24.406","0.01","90","","90","","90","","1511.6","1.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","","- C17 H19 Cl F N -","- C17 H19 Cl F N -","- C68 H76 Cl4 F4 N4 -","4","1","QD0021","Batsanov, Andrei S.; Howard, Judith A. K.","(‒)-(<i>S</i>)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","Acta Crystallographica Section C","2000","56","10","e467","e468","10.1107/S0108270100011914","","","0.71073","MoKα","","0.029","0.027","","","","0.067","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011466","5.643","0.002","15.625","0.008","17.641","0.008","90","","89.98","0.04","90","","1555.4","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Bis(thiocyanato)bis(diphenylthiourea)cadmium(II) dihydrate","","- C28 H28 Cd N6 O2 S4 -","- C28 H28 Cd N6 O2 S4 -","- C56 H56 Cd2 N12 O4 S8 -","2","0.5","QD0024","Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>'-diphenylthiourea)cadmium(II)]-di-μ-thiocyanato] dihydrate]","Acta Crystallographica Section C","2000","56","10","e430","e431","10.1107/S0108270100011902","","","0.71073","MoKα","","0.058","0.037","","","","0.097","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011467","9.42","0.003","9.805","0.004","11.228","0.006","114.55","0.04","114.67","0.04","91.03","0.03","833.9","0.8","293","","","","","","","","","","","4","P -1","-P 1","2","","10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4'3':2,3]1,2,4- triazino[5,6-b]indole","","- C19 H16 N6 O -","- C19 H16 N6 O -","- C38 H32 N12 O2 -","2","1","QD0026","Shaban, Mohammed A. E.; Morgaan, Ali, E. A.; Chun, Hyungphil; Bernal, Ivan","10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4',3':2,3]-1,2,4-triazino[5,6-<i>b</i>]indole","Acta Crystallographica Section C","2000","56","10","e472","e473","10.1107/S010827010001194X","","","0.71073","MoKα","","0.208","0.053","","0.145","","0.115","","","0.831","","","1.223","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011468","7.1613","0.0005","7.1613","0.0005","11.6184","0.0008","90","","90","","120","","516.01","0.06","298","2","298","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs O12 Se2 V3 -","- Cs O12 Se2 V3 -","- Cs2 O24 Se4 V6 -","2","0.333333","QD0027","Harrison, William T. A.","Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","2000","56","10","e422","e422","10.1107/S0108270100011719","","","0.71073","MoKα","","0.031","0.029","","","","0.063","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011469","9.079","0.002","7.555","0.002","13.015","0.002","90","","104.1","0.01","90","","865.8","0.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","QD0028","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","2-Phenylmalonamide","Acta Crystallographica Section C","2000","56","10","e485","e486","10.1107/S0108270100011938","","","0.7107","MoKα","","","0.0378","","","","0.1043","","","","","","1.231","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011470","24.191","0.003","10.9675","0.0016","11.6115","0.0015","90","","106.644","0.009","90","","2951.6","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co H14 K4 Mo6 N O31 -","- Co K4 Mo6 N O31 -","- Co4 K16 Mo24 N4 O124 -","4","0.5","QD0030","Lee, Uk; Joo, Hea Chung","Tripotassium hexahydrogenhexamolybdocobaltate(III) potassium nitrate tetrahydrate, K~3~[H~6~CoMo~6~O~24~]·KNO~3~·4H~2~O","Acta Crystallographica Section C","2000","56","10","e423","e424","10.1107/S0108270100012154","","","0.71069","MoKα","","0.057","0.042","","","","0.119","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011471","7.5615","0.0002","11.1023","0.0004","20.9017","0.0005","90","","95.302","0.002","90","","1747.19","0.09","150","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 O7 -","- C16 H28 O7 -","- C64 H112 O28 -","4","1","QD0032","Light, Mark E.; Hursthouse, Michael B.","Methyl 2-hydroxy-2-[5'-hydroxy-5'-(1-hydroxy-1-methylethyl)-5,2'-dimethylperhydro-2,2'-bifuranyl-5-yl]acetate","Acta Crystallographica Section C","2000","56","10","e483","e483","10.1107/S0108270100012257","","","0.71073","MoKα","","","0.038","","","","0.1","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011472","19.519","0.001","14.269","0.001","26.068","0.002","90","","94.456","0.002","90","","7238.4","0.8","123.2","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,5-Triphenyl-4H-imidazol-4-yl-hydroperoxide dichloromethane solvate (2:1)","","- C43 H34 Cl2 N4 O4 -","- C43 H34 Cl2 N4 O4 -","- C344 H272 Cl16 N32 O32 -","8","1","QD0033","Hu, Zhi Zhi; Takami, Shizuka; Kimura, Masaru; Tachi, Yoshimitsu; Naruta, Yoshinori","2,4,5-Triphenyl-4<i>H</i>-imidazol-4-yl hydroperoxide‒dichloromethane (2/1)","Acta Crystallographica Section C","2000","56","10","e465","e466","10.1107/S0108270100011720","","","1.5418","CuKα","","","0.051","","","","0.142","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011473","5.862","0.0019","12.3986","0.0016","26.854","0.003","90","","90","","90","","1951.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium α-hydronitrilotriacetate dihydrate","","- C6 H12 N Na O8 -","- C6 H12 N Na O8 -","- C48 H96 N8 Na8 O64 -","8","1","QD0035","Kang, Jun-Gill; Hong, Jung-Pyo; Kang, Sung Kwon","Sodium hydrogen nitrilotriacetate dihydrate","Acta Crystallographica Section C","2000","56","10","e432","e433","10.1107/S0108270100012014","","","0.71073","MoKα","","0.056","0.038","","","","0.109","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011474","7.365","0.0015","10.311","0.002","12.311","0.003","78.45","0.03","84.36","0.03","84.38","0.03","908.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H21 Cl4 N O Sn2 -","- C9 H21 Cl4 N O Sn2 -","- C18 H42 Cl8 N2 O2 Sn4 -","2","1","QD0036","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","Chlorodimethyl(<i>N</i>-methylpyrrolidinone)tin(IV)-μ-chloro-dichlorodimethyltin(IV)","Acta Crystallographica Section C","2000","56","10","e450","e451","10.1107/S0108270100011963","","","0.71073","MoKα","","0.057","0.03","","","","0.063","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011475","9.7083","0.0019","13.214","0.003","11.574","0.002","90","","92.11","0.03","90","","1483.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3-tert-Butyl)-1-(2-picolyl) imidazolium] bromide.H~2~O","3-tert-Butyl-1-pyridin-2-ylmethyl-3H-imidazolium bromide-water (1/1)","","- C13 H20 Br N3 O -","- C13 H20 Br N3 O -","- C52 H80 Br4 N12 O4 -","4","1","QD0037","Kleinhenz, Sven; Tulloch, Arran A. D.; Danopoulos, Andreas A.","3-<i>tert</i>-Butyl-1-(2-pyridylmethyl)-3<i>H</i>-imidazolium bromide hydrate","Acta Crystallographica Section C","2000","56","10","e476","e476","10.1107/S0108270100012026","","","0.71073","MoKα","","0.036","0.029","","","","0.071","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011476","5.02","0.001","9.636","0.001","14.506","0.001","90","","98.232","0.004","90","","694.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-nitroindazole","","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C28 H20 N12 O8 -","4","1","QD0040","Ooms, Frédéric; Norberg, Bernadette; Isin, Emre M.; Castagnoli, Neal Jr; Van der Schyf, Cornelis J.; Wouters, Johan","7-Nitroindazole","Acta Crystallographica Section C","2000","56","10","e474","e475","10.1107/S0108270100011975","","","1.5418","CuKα","","0.041","0.037","","","","0.109","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011477","30.879","0.006","13.793","0.005","15.669","0.005","90","","115.68","0.02","90","","6014","3","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N5 Ni S4 -","- C24 H36 N5 Ni S4 -","- C192 H288 N40 Ni8 S32 -","8","1","SK1387","Mochida, Tomoyuki; Suzuki, Shinya; Moriyama, Hiroshi; Terao, Hiroshi; Sugawara, Tadashi","Tetra-<i>n</i>-butylammonium bis(1,2-dimercaptoethene-1,2-dicarbonitrilato-<i>S</i>,<i>S</i>')nickel(III)","Acta Crystallographica Section C","2000","56","10","1183","1184","10.1107/S0108270100009094","","","0.7107","MoKα","","","0.041","","","","0.1048","","","","","","1.275","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011478","24.902","0.006","15.109","0.006","6.674","0.002","90","","90","","90","","2511.1","1.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","SK1403","Basu Baul, T. S.; Dhar, S.; Tiekink, E. R. T.","2-Hydroxy-5-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]benzoic acid","Acta Crystallographica Section C","2000","56","10","1280","1281","10.1107/S0108270100010118","","","0.71073","MoKα","","","0.034","","","","0.033","","","","","","1.65","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011479","14.7856","0.0003","7.7565","0.0001","11.9571","0.0002","90","","112.517","0.001","90","","1266.75","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[N-methyl-N-hydroxyethyl)amino]benzaldehyde thiosemicarbazone","","- C11 H16 N4 O S -","- C11 H16 N4 O S -","- C44 H64 N16 O4 S4 -","4","1","SK1408","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Xuan-Jun; Tian, Yu-Peng; Xie, Fu-Xin; Ma, Ji-Long","4-(<i>N</i>-Hydroxyethyl-<i>N</i>-methylamino)benzaldehyde thiosemicarbazone","Acta Crystallographica Section C","2000","56","10","1238","1239","10.1107/S0108270100010180","","","0.71073","MoKα","","0.0865","0.0611","","","","0.1166","","","","","","0.932","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011480","13.6731","0.0009","8.9078","0.0006","12.4539","0.0008","90","","120.07","0.001","90","","1312.7","0.15","306","2","306","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-(3-nitrophenyl) disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","0.5","SK1410","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Wardell, James L.","Bis(3-nitrophenyl) disulfide forms no C—H···O hydrogen bonds","Acta Crystallographica Section C","2000","56","10","1267","1268","10.1107/S010827010001012X","","","0.71073","MoKα","","0.036","0.03","","","","0.089","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011481","9.2881","0.0012","11.9318","0.0013","8.8201","0.0007","91.607","0.008","92.081","0.009","112.925","0.009","898.73","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","oxythiamine hexafluorophosphate monohydrate","3-[(3,4-dihydro-2-methyl-4-oxopyrimidin-5-yl)methyl]- 5-(2-hydroxyethyl)-4-methylthiazolium hexafluorophosphate monohydrate","","- C12 H18 F6 N3 O3 P S -","- C12 H18 F6 N3 O3 P S -","- C24 H36 F12 N6 O6 P2 S2 -","2","1","SX1104","Hu, Ning-Hai; Kiyota, Yasuhiro; Aoki, Katsuyuki","Oxythiamine hexafluorophosphate monohydrate, a thiamine antagonist with the same conformation as thiamine","Acta Crystallographica Section C","2000","56","10","1284","1286","10.1107/S0108270100009847","","","0.71069","MoKα","","0.06","0.051","","","","0.154","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011482","7.692","0.003","16.825","0.003","13.7247","0.0018","90","","99.428","0.018","90","","1752.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-o-tolyl-3-azabicyclo[3.3.1]nonan-9-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","VJ1106","Vijayalakshmi, L.; Parthasarathi, V.; Venkatraj, M.; Jeyaraman, R.","2,4-Bis(<i>o</i>-tolyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","2000","56","10","1240","1241","10.1107/S0108270100009318","","","1.5418","CuKα","","0.086","0.064","","","","0.206","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011483","9.128","0.003","10.096","0.002","11.763","0.002","108.19","0.01","91.93","0.02","94.23","0.02","1025.2","0.4","293","2","150","0.1","","","","","","","","5","P -1","-P 1","2","Bis(acridine)(nitrato)silver","Bis(acridine)(nitrato-O,O')silver(I)","","- C26 H18 Ag N3 O3 -","- C26 H18 Ag N3 O3 -","- C52 H36 Ag2 N6 O6 -","2","1","AV1049","Sloufova, Ivana; Slouf, Miroslav","Bis(acridine-<i>N</i>)(nitrato-<i>O</i>,<i>O</i>')silver(I)","Acta Crystallographica Section C","2000","56","11","1312","1313","10.1107/S0108270100011392","","","0.71069","MoKα","","0.021","0.02","","","","0.056","","","","","","1.192","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011484","23.547","0.002","10.922","0.003","19.4876","0.0018","90","","113.34","0.007","90","","4601.7","1.4","289","2","289","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 N O11 S -","- C51 H59 N O11 S -","- C204 H236 N4 O44 S4 -","4","1","BJ1002","Kim, Jong Seung; Lee, Won Ku; Rim, Jeong Ah; Jensen, William P.; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","25,27-(6-Tosyl-3,9-dioxa-6-azaundecane-1,11-diyldioxy)-26,28-(3,6,9-trioxaundecane-1,11-diyldioxy)calix[4]arene","Acta Crystallographica Section C","2000","56","11","1369","1371","10.1107/S0108270100010921","","","0.71069","MoKα","","0.2033","0.0808","","","","0.2063","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011485","9.416","0.0003","11.4361","0.0003","11.5642","0.0003","118.281","0.001","90.114","0.001","93.444","0.001","1093.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tris(2-methylphenyl)phosphonium tetrachloroborate","","- C21 H22 B Cl4 P -","- C21 H22 B Cl4 P -","- C42 H44 B2 Cl8 P2 -","2","1","BJ1003","Burke, Jacquelyn M.; Howard, Judith A. K.; Marder, Todd B.; Wilson, Claire","Tris(2-methylphenyl)phosphonium tetrachloroborate","Acta Crystallographica Section C","2000","56","11","1354","1355","10.1107/S0108270100010623","","","0.71073","MoKα","","0.07","0.039","","","","0.09","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011486","13.383","0.005","13.038","0.004","8.372","0.003","90","","121.76","0.04","90","","1242.1","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-tetraaquabis(trifluoroacetato)manganese(II)","","- C4 H8 F6 Mn O8 -","- C4 H8 F6 Mn O8 -","- C16 H32 F24 Mn4 O32 -","4","0.5","BK1539","Olejnik, Zofia; Lis, Tadeusz","High-temperature phase of <i>trans</i>-tetraaquabis(trifluoroacetato-<i>O</i>)manganese(II)","Acta Crystallographica Section C","2000","56","11","1310","1311","10.1107/S0108270100011215","","","0.71073","MoKα","","0.05","0.042","","","","0.109","","","","","","1.108","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011487","11.3936","0.0003","8.2659","0.0002","16.984","0.0005","90","","90.675","0.0017","90","","1599.41","0.07","148","0.1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","BK1550","Lloyd, Barry A.; Arif, Atta M.; Allred, Evan L.","A norbornenyl derivative with through-space ketone π-interaction","Acta Crystallographica Section C","2000","56","11","1377","1379","10.1107/S0108270100011185","","","0.71073","MoKα","","","0.041","","","","0.0898","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011488","11.1247","0.0015","10.4604","0.001","16.6259","0.0014","90","","93.951","0.009","90","","1930.1","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-(2',2'-dimethyl-1'-pivaloxypropylidine)fluorene","","- C23 H26 O2 -","- C23 H26 O2 -","- C92 H104 O8 -","4","1","BK1551","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","Unexpected dipivaloylation of 9-lithiated fluorene: formation of 1-(fluoren-9-ylidene)-2,2-dimethylpropyl pivalate","Acta Crystallographica Section C","2000","56","11","1380","1382","10.1107/S0108270100011197","","","0.71069","MoKα","","0.107","0.05","","","","0.153","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011489","10.93","0.0009","12.7162","0.0011","15.7085","0.0013","90","","90","","90","","2183.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tetracycline hydrochloride","[(4S,4aS,5aS,6R,12aS)-2-aminohydroxymethylene-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxonaphthacen-4-yl]dimethylammonium chloride","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C88 H100 Cl4 N8 O32 -","4","1","","Clegg, William; Teat, Simon J.","Tetracycline hydrochloride: a synchrotron micro-crystal study","Acta Crystallographica Section C","2000","56","11","1343","1345","10.1107/S0108270100010349","","","0.6883","synchrotron","","0.063","0.05","","","","0.116","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011490","8.265","0.003","21.698","0.004","9.525","0.0017","90","","110.794","0.019","90","","1596.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","norfloxacin dihydrate","1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7(1-piperzinyl)-3-quinolinecarboxylic acid","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","BM1423","Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; Wright, Elaine; Al-Rubayi, Ayad","Norfloxacin dihydrate","Acta Crystallographica Section C","2000","56","11","1372","1373","10.1107/S0108270100010933","","","0.71069","MoKα","","0.1753","0.0525","","","","0.1677","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011495","14.2475","0.0002","14.9756","0.0003","20.7125","0.0005","92.144","0.002","91.799","0.002","90.246","0.002","4413.98","0.15","130","","","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(diethylamino)phosphonium bromide hemihydrate","","- C16 H41 Br N4 O0.5 P -","- C16 H41 Br N4 O0.5 P -","- C128 H328 Br8 N32 O4 P8 -","8","4","DA1144","Liu, Yunqi; Fletcher, Michelle O.; Fronczek, Frank R.","Tetrakis(diethylamino)phosphonium bromide hemihydrate","Acta Crystallographica Section C","2000","56","11","1351","1353","10.1107/S0108270100010453","","","0.71073","MoKα","","0.082","0.036","","","","0.072","","","","","","0.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011496","8.749","0.002","8.486","0.002","17.325","0.003","90","","96.62","0.02","90","","1277.7","0.5","193","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-dichloro(dimethyl sulfoxide-S)(2-methoxypyridine-N)platinum(II)","","- C8 H13 Cl2 N O2 Pt S -","- C8 H13 Cl2 N O2 Pt S -","- C32 H52 Cl8 N4 O8 Pt4 S4 -","4","1","DA1145","Georgia M. Arvanitis; Charles E. Holmes; Diana G. Johnson; Michael Berardini","<i>cis</i>-Dichloro(dimethyl sulfoxide-<i>S</i>)(2-methoxypyridine-<i>N</i>)platinum(II)","Acta Crystallographica Section C","2000","56","11","1332","1333","10.1107/S0108270100010465","","","0.71073","MoKα","","","0.029","","","","0.036","","","","","","1.42","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011497","8.795","0.004","15.958","0.005","8.903","0.004","90","","106.78","0.05","90","","1196.3","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triazido[N-(2-aminoethyl)-1,3-propanediamine]cobalt(III)","","- C5 H15 Co N12 -","- C5 H15 Co N12 -","- C20 H60 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.1115","0.052","","0.1408","","0.1253","","","0.945","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011498","8.56","0.003","9.404","0.002","16.149","0.004","90","","91.65","0.03","90","","1299.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triazido[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]cobalt(III)","","- C6 H17 Co N12 -","- C6 H17 Co N12 -","- C24 H68 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0341","0.0221","","0.0599","","0.0569","","","1.045","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011499","9.804","0.0012","9.286","0.002","14.209","0.002","90","","94.267","0.014","90","","1290","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triazido[N-(3-aminopropyl)-1,3-propanediamine]cobalt(III)","","- C6 H17 Co N12 -","- C6 H17 Co N12 -","- C24 H68 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0534","0.0253","","0.0652","","0.0603","","","1.025","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011500","8.848","0.005","8.931","0.002","9.606","0.003","105.98","0.02","90.51","0.04","106.99","0.03","694.6","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","Triazido[3,3'-diamino-N-methyldopropylamine]cobalt(III)","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C14 H38 Co2 N24 -","2","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0351","0.0255","","0.0687","","0.0661","","","1.064","","","1.125","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011501","10.962","0.002","11.407","0.002","11.674","0.002","95.46","0.03","109.57","0.03","114.2","0.03","1207.8","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H66 Cl12 In4 N6 -","- C24 H66 Cl12 In4 N6 -","- C24 H66 Cl12 In4 N6 -","1","0.5","DE1146","Müller, Peter; Usón, Isabel; Prust, Jörg; Roesky, Herbert W.","Tetrameric indium trichloride, a new modification of a widely used compound","Acta Crystallographica Section C","2000","56","11","1300","1301","10.1107/S0108270100010362","","","0.71073","MoKα","","0.026","0.023","","","","0.054","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011502","6.8865","0.0002","8.084","0.0002","9.8348","0.0001","70.542","0.001","75.896","0.001","71.249","0.001","483.083","0.019","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N-Propiolyl-1,2-benzisoselenazol-3(2H)-one","","- C10 H9 N O2 Se -","- C10 H9 N O2 Se -","- C20 H18 N2 O4 Se2 -","2","1","DE1150","Peng, Yun Shan; Xu, Han Sheng; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Abdul Razak, Ibrahim; Ng, Seik Weng","<i>N</i>-Propionyl-1,2-benzisoselenazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","11","1386","1388","10.1107/S0108270100011276","","","0.71073","MoKα","","0.0618","0.056","","","","0.1503","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011503","8.9714","0.0006","11.7112","0.0011","26.718","0.002","90","","97.271","0.005","90","","2784.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine -3,5-dicarboxylate","","- C28 H38 N4 O6 -","- C28 H38 N4 O6 -","- C112 H152 N16 O24 -","4","1","FR1242","Duque, Julio; Novoa de Armas, Héctor; Pomés Hernández, Ramón; Suárez Navarro, Margarita; Ochoa Rodríguez, Estael; Salfrán, Esperanza; Verdecia Reyes, Yamila; Blaton, Norbert. M; Peeters, Oswald M.; De Ranter, Camiel J.","Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","2000","56","11","1346","1347","10.1107/S0108270100010416","","","1.54178","CuKα","","0.063","0.054","","0.117","","0.27","","","1.205","","","1.205","","","","has coordinates","291312","2024-04-22","12:47:22",""
"2011504","28.227","0.006","5.991","0.003","12.873","0.003","90","","94.753","0.019","90","","2169.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Terephthaldehyde Thiosemicarbazone Bis-N,N-Dimethylformamide","","- C16 H26 N8 O2 S2 -","- C16 H26 N8 O2 S2 -","- C64 H104 N32 O8 S8 -","4","0.5","FR1278","Wu, De-Hong; He, Cheng; Duan, Chun-Ying; You, Xiao-Zeng","Terephthalaldehyde bis(thiosemicarbazone) bis(dimethylformamide) solvate","Acta Crystallographica Section C","2000","56","11","1336","1337","10.1107/S0108270100009914","","","0.71073","MoKα","","0.048","0.038","","","","0.11","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011505","21.466","0.003","8.167","0.001","9.495","0.003","90","","93.07","0.02","90","","1662.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br2 N2 Ni O2 -","- C17 H14 Br2 N2 Ni O2 -","- C68 H56 Br8 N8 Ni4 O8 -","4","0.5","FR1285","Elmali, Ayhan; Zeyrek, C. Tuǧrul; Elerman, Yalc̨ın; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [<i>N</i>,<i>N</i>'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","2000","56","11","1302","1304","10.1107/S0108270100010428","","","0.71073","MoKα","","0.0933","0.032","","","","0.085","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011506","21.022","0.003","8.14","0.002","9.416","0.003","90","","94.06","0.02","90","","1607.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 Cu N2 O2 -","- C17 H14 Cl2 Cu N2 O2 -","- C68 H56 Cl8 Cu4 N8 O8 -","4","0.5","FR1285","Elmali, Ayhan; Zeyrek, C. Tuǧrul; Elerman, Yalc̨ın; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [<i>N</i>,<i>N</i>'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","2000","56","11","1302","1304","10.1107/S0108270100010428","","","0.71073","MoKα","","0.059","0.037","","","","0.106","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011507","12.2436","0.0006","12.2436","0.0006","8.0708","0.0006","90","","90","","90","","1209.86","0.12","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H22 Hg Mn N6 O4 S4 -","- C12 H22 Hg Mn N6 O4 S4 -","- C24 H44 Hg2 Mn2 N12 O8 S8 -","2","0.5","GD1102","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Liu, Jiu Rong; Lu, Guang Tian","Polymeric diaquatetra-μ-thiocyanato-manganese(II)mercury(II) bis(<i>N</i>,<i>N</i>-dimethylacetamide) solvate","Acta Crystallographica Section C","2000","56","11","1305","1307","10.1107/S010827010001043X","","","0.71073","MoKα","","0.0542","0.0328","","","","0.0758","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011508","18.858","0.007","3.864","0.001","8.19","0.007","90","","90","","90","","596.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","m-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","GD1106","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.","3-Hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","11","1348","1350","10.1107/S0108270100010441","","","0.71073","MoKα","","0.0548","0.0304","","","","0.0848","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011509","19.8403","0.0004","19.8403","0.0004","6.5068","0.0002","90","","90","","90","","2561.32","0.11","150","","150","","","","","","","","","3","P -4","P -4","81","","1,2-Diphenylbut-3-yn-2-ol","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","GD1108","Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Bilton, Clair; Howard, Judith A.K.; Allen, Frank H.","Racemic 1,2-diphenylbut-3-yn-2-ol","Acta Crystallographica Section C","2000","56","11","1359","1360","10.1107/S0108270100011343","","","0.71073","MoKα","","0.045","0.037","","","","0.092","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011510","6.55","0.001","16.931","0.003","6.493","0.001","90","","95.42","0.03","90","","716.8","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethynyl-4-hydroxycyclohexan-1-one","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","GD1109","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Allen, Frank H.","4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one","Acta Crystallographica Section C","2000","56","11","1356","1358","10.1107/S0108270100011355","","","0.71073","MoKα","","0.102","0.055","","","","0.122","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011511","9.02","0.002","14.01","0.003","16.612","0.003","90","","93.56","0.03","90","","2095.2","0.8","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethynyl-4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-diene-1-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","2","GD1109","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Allen, Frank H.","4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one","Acta Crystallographica Section C","2000","56","11","1356","1358","10.1107/S0108270100011355","","","0.71073","MoKα","","0.093","0.052","","","","0.145","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011512","6.947","0.002","6.469","0.003","7.478","0.003","90","","110.51","0.03","90","","314.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,3-Dihydro-3-methyl-2-nitriminothiazole","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C8 H10 N6 O4 S2 -","2","0.5","GD1113","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,3-Dihydro-3-methyl-2-nitrimino-1,3-thiazole","Acta Crystallographica Section C","2000","56","11","1401","1403","10.1107/S0108270100011604","","","0.71073","MoKα","","0.035","0.034","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011513","13.039","0.002","15.261","0.0016","21.319","0.005","90","","107.581","0.014","90","","4044.1","1.2","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B9 S -","- C16 H25 B9 S -","- C128 H200 B72 S8 -","8","2","GD1115","Ellis, David; Rosair, Georgina M.; Robertson, Susan; Welch, Alan J.","7,8-Diphenyl-9-dimethylsulfido-10,11-μ-hydro-7,8-dicarba-<i>nido</i>-undecaborane(9)","Acta Crystallographica Section C","2000","56","11","1399","1400","10.1107/S0108270100011471","","","0.71073","MoKα","","0.0755","0.0496","","","","0.1291","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011514","7.247","0.004","57.94","0.003","5.048","0.004","90","","90","","90","","2120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,21-Henicosanediol","","","- C21 H44 O2 -","- C21 H44 O2 -","- C84 H176 O8 -","4","1","GG1020","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","1,21-Henicosanediol","Acta Crystallographica Section C","2000","56","11","1389","1390","10.1107/S0108270100011288","","","1.5418","CuKα","","0.076","0.051","","0.09","","0.083","","","1.67","","","1.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011515","11.704","0.001","11.751","0.002","15.64","0.002","91.75","0.01","92.18","0.01","90.55","0.01","2148.3","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H55 N O6 P2 -","- C45 H55 N O6 P2 -","- C90 H110 N2 O12 P4 -","2","1","GG1021","Hökelek, Tuncer; Akduran, Nurcan; Begeç, Saliha; Kılıç, Adem; Kılıç, Zeynel","<i>N</i>-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-<i>P</i>,<i>P</i>,<i>P</i>-tris(2,4,6-trimethylphenoxy)phosphazene","Acta Crystallographica Section C","2000","56","11","1404","1406","10.1107/S010827010001177X","","","1.5418","CuKα","","","0.0683","","","","0.1993","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011516","10.017","0.003","16.575","0.006","4.883","0.003","95.63","0.03","90.84","0.04","106.28","0.03","773.7","0.6","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O4 -","- C14 H14 Cl2 N2 O4 -","- C28 H28 Cl4 N4 O8 -","2","1","GG1022","Eishima, Makoto; Ohba, Shigeru; Suzuki, Masumi; Nagasawa, Chiaki; Sugai, Takeshi","Racemic and chiral 1-[<i>N</i>-(chloroacetyl)carbamoylamino]-2,3-dihydro-1<i>H</i>-inden-2-yl chloroacetate","Acta Crystallographica Section C","2000","56","11","1391","1393","10.1107/S010827010001129X","","","0.71073","MoKα","","","0.051","","","","0.141","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011517","11.409","0.002","4.595","0.002","15.667","0.001","90","","105.079","0.009","90","","793.1","0.4","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 -","- C14 H14 Cl2 N2 O4 -","- C28 H28 Cl4 N4 O8 -","2","1","GG1022","Eishima, Makoto; Ohba, Shigeru; Suzuki, Masumi; Nagasawa, Chiaki; Sugai, Takeshi","Racemic and chiral 1-[<i>N</i>-(chloroacetyl)carbamoylamino]-2,3-dihydro-1<i>H</i>-inden-2-yl chloroacetate","Acta Crystallographica Section C","2000","56","11","1391","1393","10.1107/S010827010001129X","","","0.71073","MoKα","","","0.057","","","","0.126","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011518","17.202","0.002","10.9235","0.0018","22.3209","0.0016","90","","105.667","0.007","90","","4038.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(nitrato-O,O')bis(triphenylphosphineoxide-O)(ethanol-O)-cerium(III)","","- C38 H36 Ce N3 O12 P2 -","- C38 H35 Ce N3 O12 P2 -","- C152 H140 Ce4 N12 O48 P8 -","4","1","GS1104","Levason, William; Newman, Elizabeth H.; Webster, Michael","(Ethanol-<i>O</i>)tris(nitrato-<i>O</i>,<i>O</i>')bis(triphenylphosphine oxide-<i>O</i>)cerium(III)","Acta Crystallographica Section C","2000","56","11","1308","1309","10.1107/S0108270100010842","","","0.71073","MoKα","","0.0541","0.0313","","","","0.0914","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011519","7.2821","0.0006","7.2821","0.0006","16.889","0.002","90","","90","","120","","775.62","0.13","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Sodium trivanadium disulfate hexahydroxide","","- H6 Na O14 S2 V3 -","- H6 Na O14 S2 V3 -","- H18 Na3 O42 S6 V9 -","3","0.0833333","IZ1003","Dobley, Arthur; Zavalij, Peter Y.; Whittingham, M. Stanley","Sodium trivanadium(III) bis(sulfate) hexahydroxide","Acta Crystallographica Section C","2000","56","11","1294","1295","10.1107/S0108270100011239","","","0.71073","MoKα","","0.0271","0.0263","","","","0.0719","","","","","","1.306","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011520","16.123","0.002","11.684","0.001","15.815","0.002","90","","90.74","0.01","90","","2979","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(P,P-di-tert-butylthiophosphinic-N-isopropylamidato-N,S)nickel(II)","","- C22 H50 N2 Ni P2 S2 -","- C22 H50 N2 Ni P2 S2 -","- C88 H200 N8 Ni4 P8 S8 -","4","1","JZ1401","Kuchen, Wilhelm; Wunderlich, Hartmut","Bis(di-<i>tert</i>-butylthiophosphinic isopropylamidato-<i>N</i>,<i>S</i>)nickel(II)","Acta Crystallographica Section C","2000","56","11","1296","1297","10.1107/S0108270100011264","","","0.71073","MoKα","","0.058","0.039","","","","0.116","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011521","10.193","0.002","14.477","0.003","12.092","0.002","90","","96.29","0.03","90","","1773.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Diazafluoren-9-ol","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","2","NA1481","Tu, Chao; Zhu, Dun-Ru; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","4,5-Diazafluoren-9-ol","Acta Crystallographica Section C","2000","56","11","1334","1335","10.1107/S0108270100009823","","","0.71073","MoKα","","0.14","0.037","","","","0.085","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011522","7.1366","0.0005","16.0369","0.001","7.4236","0.0005","90","","98.121","0.001","90","","841.1","0.1","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis-(1,5-diazacyclooctane) nickel(II) bromide","","- C12 H28 Br2 N4 Ni -","- C12 H28 Br2 N4 Ni -","- C24 H56 Br4 N8 Ni2 -","2","0.5","OA1103","Du, Miao; Bu, Xian-He; Leng, Xue-Bing; Guo, Ya-Mei; Zhang, Ruo-Hua","Bis(1,5-diazacyclooctane-<i>N</i>,<i>N</i>')nickel(II) dibromide","Acta Crystallographica Section C","2000","56","11","1314","1315","10.1107/S0108270100011598","","","0.71073","MoKα","","","0.0253","","","","0.0649","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011523","8.3945","0.0009","6.4096","0.0007","13.8798","0.0014","90","","103.899","0.004","90","","724.94","0.13","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-vinylbenzoic acid","4-vinylbenzoic acid","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0404","0.039","","","","0.1072","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011524","8.2876","0.0016","6.5504","0.0012","14.247","0.002","90","","102.651","0.008","90","","754.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-vinylbenzoic acid","4-vinylbenzoic acid","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.062","0.0514","","","","0.1388","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011525","9.3213","0.0003","13.6798","0.0004","8.8957","0.0003","90","","109.467","0.001","90","","1069.48","0.06","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-vinylanthracene","9-vinylanthracene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0454","0.0412","","","","0.1151","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011526","9.3873","0.0005","13.9756","0.001","8.9889","0.0007","90","","110.066","0.001","90","","1107.7","0.13","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-vinylanthracene","9-vinylanthracene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0688","0.0556","","","","0.1508","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011527","12.455","0.005","12.401","0.005","11.14","0.005","90","","107.259","0.005","90","","1643.1","1.2","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","OB1037","Isobe, Shin-ichiro; Kubo, Kanji; Thiemann, Thies; Sawada, Tsuyoshi; Yonemitsu, Tadashi; Mataka, Shuntaro","Benzo[<i>i</i>]naphtho[<i>c</i>,<i>d</i>]bicyclo[5.4.1]dodecan-12-one","Acta Crystallographica Section C","2000","56","11","1367","1368","10.1107/S010827010001091X","","","0.71073","MoKα","","0.1569","0.0505","","","","0.1405","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011528","5.317","0.0011","16.642","0.003","19.998","0.004","90","","90","","90","","1769.5","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.047","0.0405","","","","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011529","16.699","0.003","18.507","0.004","5.615","0.0011","90","","90","","90","","1735.3","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.0357","0.032","","","","0.083","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011530","8.304","0.001","12.044","0.002","11.082","0.002","90","","92.47","0.01","90","","1107.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5-fluoro-uracil-1-acetato-O)-copper (II) tetrahydrate","","- C12 H24 Cu F2 N4 O16 -","- C12 H24 Cu F2 N4 O16 -","- C24 H48 Cu2 F4 N8 O32 -","2","0.5","QA0320","Huang, Jian; Li, Yi-Zhi; Sun, Gang-Chun; Dai, Rong-Bin; Li, Qin-Xi; Wang, Liu-Fang; Xia, Chun-Gu","Tetraaqua(5-fluorouracil-1-acetato-<i>O</i>)copper(II) tetrahydrate","Acta Crystallographica Section C","2000","56","11","e489","e490","10.1107/S0108270100013044","","","0.71073","MoKα","","0.021","0.02","","","","0.056","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011531","8.2186","0.0005","25.4368","0.0016","15.6604","0.001","90","","90","","90","","3273.9","0.4","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Cl","","","- C36 H49 Cl -","- C36 H49 Cl -","- C144 H196 Cl4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.093","0.047","","","","0.128","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011532","8.2823","0.0014","25.831","0.004","15.856","0.003","90","","90","","90","","3392.2","1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Br","","","- C36 H49 Br -","- C36 H49 Br -","- C144 H196 Br4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.059","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011533","8.11","0.0013","25.549","0.006","15.978","0.006","90","","90","","90","","3310.7","1.6","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*I","","","- C36 H49 I -","- C36 H49 I -","- C144 H196 I4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.074","0.059","","","","0.186","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011534","12.193","0.006","14.439","0.008","16.531","0.009","65.93","0.02","86.36","0.03","71.46","0.03","2512","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H58 Au6 Cl4 F30 P6 -","- C100 H58 Au6 Cl4 F30 P6 -","- C100 H58 Au6 Cl4 F30 P6 -","1","0.5","QA0390","Bardají, Manuel; Laguna, Antonio; Villacampa, M. Dolores","Bis[bis(diphenylphosphinomethyl)phenylphosphine]dichlorotetragold(I) bis[chlorotris(pentafluorophenyl)aurate(III)]","Acta Crystallographica Section C","2000","56","11","e487","e488","10.1107/S0108270100012518","","","0.71073","MoKα","","0.086","0.049","","","","0.104","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011535","21.443","0.002","7.959","0.001","10.224","0.002","90","","90","","90","","1744.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3α-Tosyloxymethyltropane(N^8^—B)‒borane","","- C16 H26 B N O3 S -","- C16 H26 B N O3 S -","- C64 H104 B4 N4 O12 S4 -","4","1","QA0392","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","3α-Tosyloxymethyltropane(<i>N</i>^8^‒<i>B</i>)borane","Acta Crystallographica Section C","2000","56","11","e512","e513","10.1107/S0108270100013019","","","1.54178","CuKα","","0.066","0.043","","0.115","","0.103","","","1.045","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011536","10.987","0.0016","6.033","0.0008","15.429","0.003","90","","103.989","0.006","90","","992.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ternifoline C","ent-Kaur-16-ene-1,6,7,15-tetrol-7,20-epoxy-1-acetate","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","QA0393","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Redetermination of ternifoline-C at 150K","Acta Crystallographica Section C","2000","56","11","e516","e517","10.1107/S0108270100013032","","","0.71073","MoKα","","0.111","0.059","","","","0.143","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011537","5.45","0.0011","9.741","0.0019","12.307","0.003","80.27","0.03","85.97","0.03","79.13","0.03","631.9","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","1-octanoyl-5-fluorouracil","5-fluoro-1-octanoylpyrimidine-2,4(1H,3H)-dione","","- C12 H17 F N2 O3 -","- C12 H17 F N2 O3 -","- C24 H34 F2 N4 O6 -","2","1","QA0395","Lehmler, Hans-Joachim; Parkin, Sean","5-Fluoro-1-octanoyluracil","Acta Crystallographica Section C","2000","56","11","e518","e519","10.1107/S0108270100013056","","","0.71073","MoKα","","0.072","0.041","","","","0.1","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011538","11.542","0.004","11.246","0.005","15.641","0.005","90","","105.43","0.03","90","","1957","1.3","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 Se2 -","- C18 H28 N2 Se2 -","- C72 H112 N8 Se8 -","4","1","QA0396","Feldmann, Arnold A.; Schmengler, Kai; Laue, Klaus; Marose, Stefan; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Hydrogen bonding in <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium bis(benzeneselenolate)","Acta Crystallographica Section C","2000","56","11","e531","e531","10.1107/S0108270100013986","","","0.71073","MoKα","","0.067","0.035","","","","0.085","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011539","11.505","0.002","5.298","0.001","16.886","0.002","90","","94.057","0.009","90","","1026.7","0.3","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H21.684 N2 O6 -","- C44 H43.368 N4 O12 -","2","0.5","QA0399","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Fumaric acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e507","e508","10.1107/S0108270100013007","","","0.71073","MoKα","","","0.038","","","","0.107","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011540","11.547","0.002","5.354","0.002","16.82","0.002","90","","94.6","0.01","90","","1036.5","0.4","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H21.408 N2 O6 -","- C44 H42.816 N4 O12 -","2","0.5","QA0399","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Fumaric acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e507","e508","10.1107/S0108270100013007","","","0.71073","MoKα","","","0.071","","","","0.175","","","","","","1.17","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011541","9.6821","0.0007","18.4661","0.0012","7.4203","0.0005","93.611","0.005","105.676","0.005","100.636","0.005","1246.43","0.15","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl2 N2 O6 -","- C26 H22 Cl2 N2 O6 -","- C52 H44 Cl4 N4 O12 -","2","1","QA0400","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","4,5-Dichlorophthalic acid‒<i>trans</i>-cinnamamide(1/2) and 3,4,5,6-tetrachlorophthalic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e509","e510","10.1107/S010827010001338X","","","0.71073","MoKα","","","0.047","","","","0.198","","","","","","1.28","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011542","9.937","0.002","15.895","0.004","9.015","0.002","93.48","0.02","110.57","0.01","91.58","0.02","1328.8","0.5","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl4 N2 O6 -","- C26 H20 Cl4 N2 O6 -","- C52 H40 Cl8 N4 O12 -","2","1","QA0400","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","4,5-Dichlorophthalic acid‒<i>trans</i>-cinnamamide(1/2) and 3,4,5,6-tetrachlorophthalic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e509","e510","10.1107/S010827010001338X","","","0.71073","MoKα","","","0.038","","","","0.113","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011544","10.1696","0.0009","6.9695","0.0007","21.526","0.002","90","","92.036","0.005","90","","1524.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D- glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate","","- C25 H29 N3 O13 S -","- C25 H29 N3 O13 S -","- C50 H58 N6 O26 S2 -","2","1","QA0402","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Sánchez, Adolfo; Nogueras, Manuel; López, M. D.","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate","Acta Crystallographica Section C","2000","56","11","e526","e527","10.1107/S0108270100013512","","","0.71073","MoKα","","0.124","0.068","","","","0.16","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011545","7.163","0.002","39.861","0.009","10.053","0.003","90","","107.4","0.02","90","","2739","1.3","298","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O10 -","- C28 H24 N2 O10 -","- C112 H96 N8 O40 -","4","0.5","QA0404","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Benzene-1,2,4,5-tetracarboxylic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e511","e511","10.1107/S0108270100013391","","","0.71073","MoKα","","","0.06","","","","0.158","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011546","7.8564","0.0007","17.4629","0.0016","9.7865","0.0016","90","","92.132","0.009","90","","1341.7","0.3","294","1","294","1","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-μ-Chloro-μ-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]","","- C19 H37 Cl3 P2 Pd2 S -","- C19 H37 Cl3 P2 Pd2 S -","- C38 H74 Cl6 P4 Pd4 S2 -","2","1","QA0405","Alyea, Elmer C.; Kannan, Shanmugaperumal; Ferguson, George","<i>cis</i>-μ-Chloro-μ-<i>p</i>-toluenethiolato-bis[chloro(triethylphosphine)palladium]","Acta Crystallographica Section C","2000","56","11","e493","e494","10.1107/S0108270100013408","","","0.71073","MoKα","","0.062","0.038","","","","0.068","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011547","11.575","0.003","4.3655","0.0006","15.647","0.004","90","","97.94","0.03","90","","783.1","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trimethylphenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","QA0407","Ziemer, Burkhard; Surygina, Oxana","2,4,6-Trimethylphenol","Acta Crystallographica Section C","2000","56","11","e528","e528","10.1107/S0108270100013524","","","0.71073","MoKα","","0.055","0.039","","","","0.108","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011548","6.1103","0.0002","20.699","0.001","11.7877","0.0005","90","","95.302","0.003","90","","1484.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(2-(4-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxyl)Zinc(II) dithiocyanate.","","- C26 H32 N8 O2 S2 Zn -","- C26 H32 N8 O2 S2 Zn -","- C52 H64 N16 O4 S4 Zn2 -","2","0.5","QA0408","Fettouhi, Mohammed","Dithiocyanatobis[4,4,5,5-tetramethyl-2-(4-pyridyl-κ<i>N</i>)-1<i>H</i>-imidazoline-1-oxyl]zinc(II)","Acta Crystallographica Section C","2000","56","11","e495","e496","10.1107/S010827010001341X","","","0.71073","MoKα","","0.075","0.043","","","","0.117","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011549","9.7626","0.0006","12.428","0.0008","16.677","0.0007","90","","90","","90","","2023.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","QA0412","Roh, Soo-Gyun; Jeong, Jong Hwa","1,3,5-Tri-<i>p</i>-tolylbiuret","Acta Crystallographica Section C","2000","56","11","e529","e530","10.1107/S0108270100013536","","","0.71073","MoKα","","0.067","0.033","","","","0.095","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011550","9.636","0.002","11.237","0.002","16.242","0.003","90","","94.49","0.01","90","","1753.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Br2 N6 Si -","- C32 H44 Br2 N6 Si -","- C64 H88 Br4 N12 Si2 -","2","0.5","QA0413","Bolte, Michael; Hensen, Karl; Faber, Alexander","Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide","Acta Crystallographica Section C","2000","56","11","e524","e525","10.1107/S0108270100013470","","","0.71073","MoKα","","0.076","0.054","","","","0.121","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011551","7.504","0.002","8.144","0.003","8.522","0.003","117.8","0.01","113.43","0.01","93.01","0.01","404.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Br N -","- C7 H10 Br N -","- C14 H20 Br2 N2 -","2","1","QA0413","Bolte, Michael; Hensen, Karl; Faber, Alexander","Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide","Acta Crystallographica Section C","2000","56","11","e524","e525","10.1107/S0108270100013470","","","0.71073","MoKα","","0.059","0.045","","","","0.097","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011552","7.154","0.002","7.933","0.002","13.731","0.003","90","","90","","90","","779.3","0.3","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 Ge N2 -","- C12 H14 Cl4 Ge N2 -","- C24 H28 Cl8 Ge2 N4 -","2","0.25","QA0414","Bolte, Michael; Hensen, Karl; Faber, Alexander","<i>trans</i>-Tetrachlorobis(4-methylpyridine)germanium(IV)","Acta Crystallographica Section C","2000","56","11","e497","e498","10.1107/S0108270100013482","","","0.71073","MoKα","","0.034","0.026","","","","0.062","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011553","7.36","0.001","8.36","0.001","13.561","0.001","90","","90","","90","","834.4","0.16","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 Ge N2 -","- C12 H14 Br4 Ge N2 -","- C24 H28 Br8 Ge2 N4 -","2","0.25","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.047","0.028","","","","0.056","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011554","7.477","0.001","17.942","0.005","13.194","0.003","90","","90","","90","","1770","0.7","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C56 H72 Br16 Ge4 N8 -","4","","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.055","0.036","","","","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011555","16.588","0.0014","8.3559","0.0007","23.4129","0.0018","90","","104.564","0.004","90","","3140.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H28 As6 N4 O26 Zn7 -","- C8 H28 As6 N4 O26 Zn7 -","- C32 H112 As24 N16 O104 Zn28 -","4","0.5","QA0423","Kongshaug, Kjell Ove; Fjellvåg, Helmer; Lillerud, Karl Petter","A three-dimensional open-framework zinc arsenate, (C~4~H~12~N~2~)~2~[Zn~7~(AsO~4~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2000","56","11","e503","e504","10.1107/S0108270100013548","","","0.71073","MoKα","","0.056","0.032","","","","0.065","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011556","11.265","0.002","19.946","0.004","10.927","0.002","90","","103.65","0.03","90","","2385.9","0.8","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N3 Si3 -","- C18 H27 N3 Si3 -","- C72 H108 N12 Si12 -","4","1","QA0427","Kouvetakis, John; Groy, Thomas L.","2,4,6-Tris[2-(trimethylsilyl)ethynyl]-1,3,5-triazene: a novel precursor to C‒N two-dimensional structures","Acta Crystallographica Section C","2000","56","11","e533","e533","10.1107/S0108270100014165","","","0.71073","MoKα","","0.106","0.06","","","","0.158","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011557","17.4851","0.0007","17.4851","0.0006","16.2878","0.0009","90","","90","","90","","4979.6","0.4","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C192 H208 Cl16 N64 -","16","1","QA0429","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine","Acta Crystallographica Section C","2000","56","11","e534","e534","10.1107/S0108270100014177","","","0.71073","MoKα","","0.09","0.051","","","","0.134","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011558","9.9036","0.0002","19.9452","0.0004","13.666","0.0003","90","","133.561","0.001","90","","1956.12","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Anilino-3-nitropyridine","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","QA0430","Lynch, Daniel E.; McClenaghan, Ian","4-Anilino-3-nitropyridine","Acta Crystallographica Section C","2000","56","11","e535","e535","10.1107/S0108270100014189","","","0.71073","MoKα","","0.066","0.044","","","","0.12","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011559","13.6482","0.0002","14.1294","0.0002","14.1343","0.0002","119.958","0.0007","95.9391","0.0006","92.8349","0.0007","2332.6","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6-Dichloro-2-methylthiopyrimidine","","- C5 H4 Cl2 N2 S -","- C5 H4 Cl2 N2 S -","- C60 H48 Cl24 N24 S12 -","12","6","QA0431","Lynch, Daniel E.; McClenaghan, Ian","4,6-Dichloro-2-(methylthio)pyrimidine","Acta Crystallographica Section C","2000","56","11","e536","e536","10.1107/S0108270100014190","","","0.71073","MoKα","","0.058","0.037","","","","0.099","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011560","5.0386","0.0001","10.3948","0.0002","12.7421","0.0003","67.2038","0.0012","84.4066","0.001","81.2678","0.0012","607.56","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-3-(4-morpholino)-1,4-naphthoquinone","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","QA0432","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-morpholino-1,4-naphthoquinone","Acta Crystallographica Section C","2000","56","11","e537","e537","10.1107/S0108270100014207","","","0.71073","MoKα","","0.044","0.039","","","","0.142","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011561","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB9203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate. Erratum","Acta Crystallographica Section C","2000","56","11","e538","e538","10.1107/S0108270100012993","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011562","9.495","0.0011","8.4241","0.001","10.0938","0.0012","90","","95.876","0.002","90","","803.13","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2H,2'H)-dione","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","QD0025","Billing, David G.; Holzapfel, Cedric W.; Blann, Kevin; Williams, D. Bradley G.","<i>meso</i>-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2000","56","11","e522","e523","10.1107/S0108270100013081","","","0.71073","MoKα","","0.067","0.046","","","","0.144","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011563","12.9459","0.0009","13.1082","0.0009","13.9889","0.0009","90","","90.3","0.002","90","","2373.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(benzohydroxamato)iron(III) trihydrate","","","- C21 H24 Fe N3 O9 -","- C21 H24 Fe N3 O9 -","- C84 H96 Fe4 N12 O36 -","4","1","QD0034","Marmion, Celine J.; Murphy, Terry; Starikova, Zoya; Nolan, Kevin B.","Redetermination of <i>fac</i>-tris(benzohydroxamato)iron(III) trihydrate","Acta Crystallographica Section C","2000","56","11","e491","e492","10.1107/S010827010001307X","","","0.71073","MoKα","","0.107","0.041","","","","0.072","","","","","","0.73","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011564","6.507","0.001","7.448","0.002","7.735","0.002","109.25","0.04","95.11","0.04","109.52","0.05","325.1","0.2","180","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H22 Cu N4 O8 -","- C6 H22 Cu N4 O8 -","- C6 H22 Cu N4 O8 -","1","0.5","QD0038","Chapman, James; Pickett, Nigel L.; Kolawole, Gabriel; Motevalli, Majid; O'Brien, Paul","<i>trans</i>-Bis[2,3-diamino-(<i>R</i>,<i>S</i>)-propionato-<i>N</i>,<i>N</i>']diaquacopper(II) dihydrate","Acta Crystallographica Section C","2000","56","11","e501","e502","10.1107/S0108270100013500","","","0.71073","MoKα","","","0.039","","","","0.106","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011565","7.933","0.007","9.328","0.006","12.814","0.009","90","","91.76","0.04","90","","947.8","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3,5-Trichloro-2,4-dinitrobenzene","1,3,5-Trichloro-2,4-dinitrobenzene","","- C6 H Cl3 N2 O4 -","- C6 H Cl3 N2 O4 -","- C24 H4 Cl12 N8 O16 -","4","1","QD0039","Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark","Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene","Acta Crystallographica Section C","2000","56","11","e532","e532","10.1107/S0108270100013998","","","0.71073","MoKα","","0.082","0.054","","","","0.154","","","","","","0.889","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011567","16.0495","0.0011","10.524","0.0013","15.6324","0.0012","90","","104.232","0.002","90","","2559.4","0.4","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cl2 N2 O2 Zn -","- C28 H26 Cl2 N2 O2 Zn -","- C112 H104 Cl8 N8 O8 Zn4 -","4","0.5","SK1401","Ülkü, Dinçer; Arıcı, Cengiz; Tahir, M. Nawaz; Atakol, Orhan","Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II)","Acta Crystallographica Section C","2000","56","11","1298","1299","10.1107/S0108270100009008","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011568","11.682","0.002","38.168","0.006","14.245","0.002","90","","112.63","0.01","90","","5862.5","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2,6-di-tert-butyl-4-methylphenoxo-) (triphenylphosphine oxide) samarium","","- C63 H84 O4 P Sm -","- C63 H84 O4 P Sm -","- C252 H336 O16 P4 Sm4 -","4","1","SK1411","Yao, Yingming; Shen, Qi; Yu, Kaibei","Tris(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(triphenylphosphine oxide-<i>O</i>)samarium(III)","Acta Crystallographica Section C","2000","56","11","1330","1331","10.1107/S0108270100010192","","","0.71073","MoKα","","0.064","0.033","","0.084","","0.057","","","0.847","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011569","5.926","0.002","9.489","0.003","13.452","0.005","90","","90","","90","","756.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.043","0.041","","","","0.11","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011570","29.639","0.004","29.639","0.004","8.119","0.002","90","","90","","120","","6176.8","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride diethyl ether solvate","","- C9.64 H3.6 Cl6 O3.16 -","- C9.66333 H3.65 Cl6 O3.17 -","- C173.94 H65.7 Cl108 O57.06 -","18","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.046","0.032","","","","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011571","10.999","0.002","7.389","0.001","10.41","0.002","90","","98.75","0.03","90","","836.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.079","0.059","","","","0.152","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011572","7.499","0.001","7.924","0.002","11.873","0.002","90","","101.65","0.01","90","","691","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H4 Cl6 O4 -","- C9 H4 Cl6 O4 -","- C18 H8 Cl12 O8 -","2","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.02","0.019","","","","0.048","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011573","8.443","0.001","24.809","0.001","13.594","0.001","90","","90.38","0.01","90","","2847.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H4 Cl6 O4 -","- C9 H4 Cl6 O4 -","- C72 H32 Cl48 O32 -","8","2","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.03","0.026","","","","0.061","","","","","","1.142","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011574","8.616","0.003","9.281","0.002","10.46","0.004","100.53","0.02","94","0.02","95.06","0.02","816","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","ethyl 1,2,3,4,7,7-hexachloro-6-carboxybicyclo[2.2.1]hept-2-ene-endo-cis-5-carboxylate monohydrate","","- C11 H10 Cl6 O5 -","- C11 H10 Cl6 O5 -","- C22 H20 Cl12 O10 -","2","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.123","0.056","","","","0.136","","","","","","1.003","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011577","10.9465","0.0011","18.972","0.002","11.0469","0.0012","90","","110.643","0.002","90","","2146.9","0.4","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)terbium(III)","","- C40 H67 N2 O6 Tb -","- C40 H67 N2 O6 Tb -","- C80 H134 N4 O12 Tb2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant; e-mail: bgourhill@dera.gov.uk","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.031","0.029","","","","0.054","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011578","10.9846","0.0005","18.9758","0.0008","11.0865","0.0005","90","","110.833","0.002","90","","2159.8","0.17","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)samarium(III)","","- C40 H67 N2 O6 Sm -","- C40 H67 N2 O6 Sm -","- C80 H134 N4 O12 Sm2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.037","0.026","","","","0.047","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011579","14.937","0.003","9.316","0.005","18.262","0.002","90","","98.877","0.012","90","","2510.8","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,17,20-trimethoxy-2,15-dioxapentacyclo[26.2.2.1^3,7^.0^16,21^]triaconta- 1(28),3,5,7(29),10,12,14(30),16,18,20,24927),25-dodecaene","","- C31 H30 O5 -","- C31 H30 O5 -","- C124 H120 O20 -","4","1","SX1103","Mombrú, Alvaro W.; Suescun, Leopoldo; Pandolfi, Enrique; Seoane, Gustavo; López, Gloria; Mariezcurrena, Raúl","Marchantin M trimethyl ether","Acta Crystallographica Section C","2000","56","11","1374","1376","10.1107/S0108270100011173","","","0.71069","MoKα","","0.1593","0.0544","","","","0.1933","","","","","","0.983","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011580","17.0481","0.0004","17.0481","0.0004","13.7568","0.0003","90","","90","","90","","3998.24","0.16","123","2","123","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C192 H160 Cl8 O32 P8 -","8","1","TA1294","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.","Phase change in tetraphenylphosphonium perchlorate","Acta Crystallographica Section C","2000","56","11","1394","1395","10.1107/S0108270100011562","","","0.71073","MoKα","","0.0495","0.0381","","","","0.1037","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011581","10.306","0.003","12.953","0.004","28.826","0.009","90","","90","","90","","3848","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 I2 O6 P2 -","- C36 H44 I2 O6 P2 -","- C144 H176 I8 O24 P8 -","4","1","TA1297","Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew","1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide","Acta Crystallographica Section C","2000","56","11","1396","1398","10.1107/S0108270100011574","","","0.71073","MoKα","","0.0271","0.0225","","","","0.0513","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011582","8.43","0.001","10.305","0.003","12.38","0.002","89.9","0.02","82.31","0.01","68.62","0.01","991.2","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu N2 P2 S4 -","- C38 H54 Cu N2 P2 S4 -","- C38 H54 Cu N2 P2 S4 -","1","0.5","TA1299","Horn, E.; Kurosawa, K.; Tiekink, E. R. T.","Bis[<i>N</i>-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-<i>S</i>,<i>S</i>']copper(II)","Acta Crystallographica Section C","2000","56","11","1319","1320","10.1107/S0108270100011586","","","0.71073","MoKα","","","0.044","","","","0.031","","","","","","1.75","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011583","12.499","0.002","13.173","0.002","14.615","0.003","85.16","0.02","79.05","0.02","66.15","0.02","2160.7","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cu N2 O2 P2 S2 -","- C50 H39 Cu N2 O2 P2 S2 -","- C100 H78 Cu2 N4 O4 P4 S4 -","2","1","TA1301","Nakahodo, T.; Horn, E.; Tiekink, E.R.T.","(Benzoxazole-2-thiolato-<i>S</i>)(benzoxazole-2-thione-<i>S</i>)bis(triphenylphosphine)copper(I)","Acta Crystallographica Section C","2000","56","11","1316","1318","10.1107/S0108270100011483","","","0.71073","MoKα","","","0.038","","","","0.026","","","","","","1.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011584","7.62","0.002","10.411","0.002","26.813","0.005","90","","97.92","0.02","90","","2106.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazolo[3,4-d]pyrimidine","1-[4,6-dimethylthio-2H-pyrazolo[3,4-d]pyrimidin-2-yl]-4,6-dimethylthio-1H- pyrazolo[3,4-d]pyrimidine","","- C17 H20 N8 S4 -","- C17 H20 N8 S4 -","- C68 H80 N32 S16 -","4","1","VJ1110","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.","Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models","Acta Crystallographica Section C","2000","56","11","1361","1363","10.1107/S0108270100010775","","","0.71073","MoKα","","0.0656","0.0519","","0.1688","","0.1424","","","0.836","","","0.804","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011585","31.736","0.007","8.308","0.002","17.467","0.004","90","","115.12","0.02","90","","4169.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pyrazolo[3,4-d]pyrimidine","1-[4-(4-methoxy-6-methylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl]- 5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one","","- C18 H22 N8 O2 S2 -","- C18 H22 N8 O2 S2 -","- C144 H176 N64 O16 S16 -","8","1","VJ1110","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.","Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models","Acta Crystallographica Section C","2000","56","11","1361","1363","10.1107/S0108270100010775","","","0.71073","MoKα","","0.046","0.041","","","","0.121","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011586","7.6042","0.0008","9.0007","0.0011","10.8647","0.0016","97.974","0.019","98.5","0.02","108.63","0.02","683.06","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,2'-bipyridinium diperchlorate","2,2'-bipyridinium diperchlorate","","- C10 H10 Cl2 N2 O8 -","- C10 H10 Cl2 N2 O8 -","- C20 H20 Cl4 N4 O16 -","2","1","AV1046","Ma, Guibin; Ilyukhin, Andrey; Glaser, Julius","2,2'-Bipyridinium bis(perchlorate)","Acta Crystallographica Section C","2000","56","12","1473","1475","10.1107/S0108270100012452","","","0.71073","MoKα","","0.086","0.048","","","","0.148","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011587","11.824","0.002","17.573","0.002","11.96","0.002","90","","110.24","0.01","90","","2331.6","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","AV1053","Wolf, Wojciech M.","1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group","Acta Crystallographica Section C","2000","56","12","1444","1446","10.1107/S0108270100011537","","","1.54178","CuKα","","0.0564","0.0418","","","","0.1329","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011588","12.2978","0.0002","10.9183","0.0002","30.59","0.0005","90","","90","","90","","4107.35","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H20 B10 Co2 O5 S2 -","- C9 H20 B10 Co2 O5 S2 -","- C72 H160 B80 Co16 O40 S16 -","8","1","BJ1001","Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil","[1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~]","Acta Crystallographica Section C","2000","56","12","1423","1424","10.1107/S0108270100012282","","","0.71073","MoKα","","0.0517","0.0316","","","","0.0613","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011589","17.94","0.003","8.9381","0.0008","19.8691","0.0016","90","","96.121","0.01","90","","3167.8","0.7","186","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cr N10 O8 Pr -","- C18 H36 Cr N10 O8 Pr -","- C72 H144 Cr4 N40 O32 Pr4 -","4","1","BJ1006","Combs, Robert A.; Farmer, J. Matt; Kautz, Jason A.","A cyanide-bridged bimetallic complex, [CrPr(CN)~6~(C~3~H~7~NO)~4~(H~2~O)~3~]·H~2~O","Acta Crystallographica Section C","2000","56","12","1420","1422","10.1107/S010827010001204X","","","0.71073","MoKα","","0.0306","0.0266","","","","0.0706","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011590","5.4017","0.0005","8.3903","0.0007","4.6325","0.0004","102.237","0.007","93.676","0.008","104.154","0.006","197.46","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Diaquabis[3,7-dihydro-1H-purine-2,6-dione]lithium(I)","","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","1","1","BK1536","Okabe, Nobuo; Tsujita, Michihiro","<i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]]","Acta Crystallographica Section C","2000","56","12","1418","1419","10.1107/S0108270100011999","","","0.71073","MoKα","","0.055","0.032","","","","0.096","","","","","","0.868","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011591","9.166","0.003","14.603","0.003","12.192","0.003","90","","97.43","0.02","90","","1618.2","0.7","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyridine-2,6-carboxylato-N,O,O':O)bis[triaquamanganese(II)]‒ pyridine-2,6-dicarboxylic acid (1/2)","","- C28 H28 Mn2 N4 O22 -","- C28 H28 Mn2 N4 O22 -","- C56 H56 Mn4 N8 O44 -","2","0.5","BK1553","Okabe, Nobuo; Oya, Naomi","Bis(μ-pyridine-2,6-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>)bis[triaquamanganese(II)]‒pyridine-2,6-dicarboxylic acid (1/2)","Acta Crystallographica Section C","2000","56","12","1416","1417","10.1107/S0108270100012786","","","0.71069","MoKα","","","0.037","","","","0.122","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011592","16.591","0.002","8.8487","0.0007","30.996","0.009","90","0.016","90","0.012","90","0.009","4550.5","1.5","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H22 O4 -","- C32 H22 O4 -","- C256 H176 O32 -","8","2","BK1564","Potenza, Joseph A.; Emge, Thomas J.; Albaneze, Jennifer; Knapp, Spencer; Schugar, Harvey J.","A spiro-linked pyrene‒naphthoquinone","Acta Crystallographica Section C","2000","56","12","1494","1495","10.1107/S0108270100012750","","","1.5418","CuKα","","0.1253","0.0441","","","","0.0847","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011593","11.9913","0.0002","19.8605","0.0003","25.1833","0.0003","90","","100.024","0.0009","90","","5905.93","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-N^2^]pyridine-N}zinc(II) diperchlorate bis(nitromethane) solvate","","- C60 H64 Cl2 N12 O12 Zn -","- C60 H64 Cl2 N12 O12 Zn -","- C240 H256 Cl8 N48 O48 Zn4 -","4","1","BM1431","Malcolm A. Halcrow; Colin A. Kilner; Mark Thornton-Pett","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}zinc(II) diperchlorate bis(nitromethane) solvate","Acta Crystallographica Section C","2000","56","12","1425","1426","10.1107/S0108270100012981","","","0.71073","MoKα","","0.086","0.048","","","","0.136","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011594","9.038","0.002","19.13","0.004","9.93","0.002","90","","108.79","0.02","90","","1625.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Au2 Cl2 Fe P2 -","- C34 H28 Au2 Cl2 Fe P2 -","- C68 H56 Au4 Cl4 Fe2 P4 -","2","0.5","BM1433","Crespo, Olga; Gimeno, M. Concepcion; Jones, Peter G.; Laguna, Antonio","Solvent-free [μ-ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]bis[chlorogold(I)]","Acta Crystallographica Section C","2000","56","12","1433","1434","10.1107/S010827010001310X","","","0.71073","MoKα","","0.056","0.033","","","","0.0712","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011595","7.748","0.002","14.164","0.003","6.268","0.002","91.54","0.02","95.3","0.02","88.25","0.02","684.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Triammonium cis-diaqua-cis-dioxo-trans-disulfatovanadate hemitrihydrate","","- H19 N3 O13.5 S2 V -","- H19 N3 O13.5 S2 V -","- H38 N6 O27 S4 V2 -","2","1","BR1299","Hashimoto, Masato; Kubata, Michiru; Yagasaki, Atsushi","(NH~4~)~3~[VO~2~(SO~4~)~2~(H~2~O)~2~]·1.5H~2~O","Acta Crystallographica Section C","2000","56","12","1411","1412","10.1107/S0108270100012063","","","0.71069","MoKα","","0.0427","0.0319","","","","0.1003","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011596","8.4915","0.0012","11.1454","0.0013","12.6558","0.0013","90","","90","","90","","1197.8","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 K Li O7 -","- B4 K Li O7 -","- B32 K8 Li8 O56 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.0244","","","","0.0553","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011597","8.6257","0.0012","11.2576","0.0013","12.8531","0.0015","90","","90","","90","","1248.1","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 Li O7 Rb -","- B4 Li O7 Rb -","- B32 Li8 O56 Rb8 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.05","","","","0.0754","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011598","11.665","0.003","10.614","0.002","11.121","0.004","90","","117.8","0.02","90","","1218","0.6","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-nitrobenzenesulfonyl)-2-amino isobutyric acid","","- C10 H12 N2 O6 S -","- C10 H12 N2 O6 S -","- C40 H48 N8 O24 S4 -","4","1","DA1155","Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.","Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts","Acta Crystallographica Section C","2000","56","12","1484","1486","10.1107/S0108270100012464","","","0.71073","MoKα","","","0.042","","","","0.109","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011599","15.978","0.0012","14.984","0.0011","13.436","0.001","90","","113.568","0.006","90","","2948.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-nitrobenzenesulfonyl)-1-amino-1-cyclohexane carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C104 H128 N16 O48 S8 -","8","2","DA1155","Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.","Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts","Acta Crystallographica Section C","2000","56","12","1484","1486","10.1107/S0108270100012464","","","0.71073","MoKα","","0.072","0.043","","","","0.116","","","","","","1.093","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011600","12.225","0.005","15.052","0.005","14.135","0.005","90","","91.797","0.005","90","","2599.7","1.6","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra-μ-acetato-O:O'-bis{[μ-1,4-bis(2-pyridyloxy)phenylene-N,C^2^:N',C^6^] dipalladium(II)} bis(trichloromethane) dihydrate","","- C42 H38 Cl6 N4 O14 Pd4 -","- C42 H34 Cl6 N4 O14 Pd4 -","- C84 H68 Cl12 N8 O28 Pd8 -","2","0.5","DE1153","O'Keefe, Brendan J.; Steel, Peter J.","Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box","Acta Crystallographica Section C","2000","56","12","1440","1441","10.1107/S0108270100011768","","","0.71073","MoKα","","0.095","0.05","","","","0.134","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011601","10.856","0.003","25.323","0.008","14.795","0.007","90","","94.68","0.03","90","","4054","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Tetracarbonyl[bis(tricyclohexylphosphine)]molybdenum(0)","","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","- C160 H264 Mo4 O16 P8 -","4","1","FR1291","Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.","<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","Acta Crystallographica Section C","2000","56","12","1435","1437","10.1107/S0108270100013111","","","0.71073","MoKα","","0.127","0.055","","","","0.08","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011602","11.785","0.003","16.76","0.007","12.779","0.004","90","","92.15","0.02","90","","2522.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","","- C23 H33 Mo O5 P -","- C23 H33 Mo O5 P -","- C92 H132 Mo4 O20 P4 -","4","1","FR1291","Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.","<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","Acta Crystallographica Section C","2000","56","12","1435","1437","10.1107/S0108270100013111","","","0.71073","MoKα","","0.074","0.045","","","","0.091","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011603","8.767","0.002","12.228","0.002","8.6","0.003","94.12","0.02","90.07","0.03","105.44","0.01","886.2","0.4","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C34 H48 N4 O12 -","2","1","FR1294","Smith, Graham; Bott, Raymond C.; Wermuth, Urs D.","The 1:1 adduct of Kemp's triacid with 2-aminopyridine","Acta Crystallographica Section C","2000","56","12","1505","1506","10.1107/S0108270100012968","","","0.7107","MoKα","","0.115","0.049","","","","0.168","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011604","18.6901","0.0019","10.031","0.002","17.781","0.002","90","","109.91","0.008","90","","3134.3","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate","","- C14 H20 O8 -","- C14 H20 O8 -","- C112 H160 O64 -","8","1","FR1298","Robinson, Paul D.; Hua, Duy H.; Fan, Jingmei; Liu, Lanzhu; McGill, James W.; Arshid, Mohammed; Meyers, Cal Y.","<i>cis</i>,<i>cis</i>,<i>cis</i>-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate","Acta Crystallographica Section C","2000","56","12","1471","1472","10.1107/S0108270100013123","","","0.71069","MoKα","","0.184","0.04","","","","0.128","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011605","9.73","0.001","10.661","0.002","17.898","0.003","90","","90","","90","","1856.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-Gibberellin C","(+)-2β,4aα-dihydroxy-1,7-dimethyl-8-oxo-4bβ,7α-gibbane-1α,10β- dicarboxylic acid-1,4a-lactone","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","FR1300","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid","Acta Crystallographica Section C","2000","56","12","1507","1509","10.1107/S0108270100013135","","","0.71073","MoKα","","0.117","0.053","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011606","6.0507","0.0005","9.657","0.0009","15.4541","0.0014","82.093","0.008","78.738","0.006","75.898","0.005","855.08","0.13","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","FR1303","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane","Acta Crystallographica Section C","2000","56","12","1510","1511","10.1107/S0108270100013147","","","0.71073","MoKα","","0.04","0.033","","","","0.097","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011607","13.908","0.002","15.3513","0.0018","7.186","0.0006","90","","90","","90","","1534.3","0.3","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","sp-9-methyl-9-pivaloylfluorene","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","0.5","GD1104","Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D.","The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene","Acta Crystallographica Section C","2000","56","12","1468","1470","10.1107/S010827010001235X","","","0.71069","MoKα","","0.072","0.043","","","","0.138","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011609","12.8258","0.0002","15.1039","0.0001","14.7734","0.0002","90","","114.228","0.001","90","","2609.82","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn^2+^]~2~[μ-{11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^] hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-N^3^, N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^}]^2-^ 2[ClO~4~]^-^, bis(8-methylquinoline), 2(C~2~H~5~OH)","","- C48 H60 Cl2 N6 O14 Zn2 -","- C48 H60 Cl2 N6 O14 Zn2 -","- C96 H120 Cl4 N12 O28 Zn4 -","2","0.5","GG1016","Fang, Jiang-Lin; Huang, Wei; Chantrapromma, Suchada; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Gou, Shao-Hua; Wang, Hong-Sen","A donor‒acceptor compound composed of a dinuclear zinc(II) complex of a Robson macrocycle with 8-methylquinoline","Acta Crystallographica Section C","2000","56","12","1429","1430","10.1107/S0108270100012373","","","0.71073","MoKα","","0.073","0.044","","","","0.115","","","","","","0.94","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011610","18.526","0.004","6.96","0.0015","12.759","0.003","90","","109.512","0.016","90","","1550.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-[(3,4-dichlorophenyl)oxy]acetate","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C60 H44 Cl12 N8 O16 -","4","1","GG1018","Lynch, Daniel E.; Daly, David; Parsons, Simon","2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate","Acta Crystallographica Section C","2000","56","12","1478","1479","10.1107/S0108270100012385","","","1.5418","CuKα","","0.05","0.042","","","","0.115","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011611","8.018","0.008","20.134","0.013","7.389","0.008","90","","90","","90","","1192.8","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Thio-α-thymidine(R)-S-oxide","","- C10 H14 N2 O5 S -","- C10 H13.604 N2 O5 S -","- C40 H54.416 N8 O20 S4 -","4","1","GS1102","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide","Acta Crystallographica Section C","2000","56","12","1492","1493","10.1107/S0108270100012798","","","0.71073","MoKa","","0.0302","0.0299","","","0.0821","0.0822","","","","1.095","1.095","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011612","5.116","0.0001","13.008","0.0002","15.189","0.0001","90","","96.853","0.001","90","","1003.59","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(3,5-dicarboxybenzoate-O)cobalt(II)","","- C18 H18 Co O16 -","- C18 H18 Co O16 -","- C36 H36 Co2 O32 -","2","0.5","GS1105","Guillou, Nathalie; Livage, Carine; Marrot, Jerôme; Férey, Gerard","Tetraaquabis(3,5-dicarboxybenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","2000","56","12","1427","1428","10.1107/S0108270100012312","","","0.71073","MoKα","","0.03","0.025","","","","0.073","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011613","9.665","0.0005","19.662","0.0009","11.123","0.002","90","","89.602","0.005","90","","2113.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Piv-L-Sip-L-Ala-NH^i^Pr","N-(3,3-dimethyl-1-pivaloyl-1-aza-3-sila-5-cyclopentylcarbonyl)-L-alanine isopropylamide","","- C17 H33 N3 O3 Si -","- C17 H33 N3 O3 Si -","- C68 H132 N12 O12 Si4 -","4","2","GS1107","Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre","A silaproline-containing dipeptide","Acta Crystallographica Section C","2000","56","12","1452","1454","10.1107/S0108270100012294","","","0.7107","MoKα","","0.069","0.055","","","","0.143","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011614","5.6004","0.0002","11.8172","0.0005","17.865","0.007","90","","98.71","0.16","90","","1168.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyphenyl 2-methylpyrazolo[1,5-a]pyrimidin-6-yl ketone","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","GS1109","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","2-Hydroxyphenyl 2-methylpyrazolo[1,5-<i>a</i>]pyrimidin-6-yl ketone","Acta Crystallographica Section C","2000","56","12","1455","1456","10.1107/S0108270100012324","","","0.71073","MoKα","","0.093","0.052","","","","0.144","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011615","7.4978","0.0015","11.265","0.002","12.322","0.003","108.12","0.03","99.38","0.03","94.75","0.03","966","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C50 H38 N2 O8 S2 -","2","1","GS1110","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","Weak and strong hydrogen-bonding patterns in the structure of 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1<i>H</i>-pyrido[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section C","2000","56","12","1460","1461","10.1107/S0108270100012397","","","0.71073","MoKα","","0.0557","0.0411","","","","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011616","12.513","0.0003","9.4275","0.0003","10.6441","0.0003","90","","90","","90","","1255.65","0.06","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","GS1111","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-(5-methyl-1<i>H</i>-pyrazol-3-ylamino)cyclohex-3-en-1-one","Acta Crystallographica Section C","2000","56","12","1457","1459","10.1107/S0108270100012300","","","0.71073","MoKα","","0.057","0.048","","","","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011617","5.025","0.0003","7.0977","0.0003","10.1196","0.0005","70.826","0.003","81.868","0.003","81.163","0.003","335.25","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","2,3-Pyrazinedicarboxamide","Pyrazine-2,3-dicarboxamide","","- C6 H6 N4 O2 -","- C6 H6 N4 O2 -","- C12 H12 N8 O4 -","2","1","JZ1424","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Pyrazine-2,3-dicarboxamide","Acta Crystallographica Section C","2000","56","12","1512","1514","10.1107/S0108270100013421","","","0.71073","MoKα","","0.037","0.035","","","","0.101","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011618","8.5877","0.0007","9.7161","0.0017","11.1425","0.001","113.138","0.008","97.516","0.004","98.551","0.007","826.92","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","bis(μ ~2~-hydroxo)bis(diipropylgallium). 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane","","- C26 H62 Ga2 N4 O2 -","- C26 H62 Ga2 N4 O2 -","- C26 H62 Ga2 N4 O2 -","1","0.5","JZ1426","Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C.; Pemble, Martyn E.; Thompson, J. Robin","Di-μ-hydroxo-bis(diisopropylgallium)‒1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1)","Acta Crystallographica Section C","2000","56","12","1438","1439","10.1107/S0108270100012816","","","0.71073","MoKα","","0.0319","0.0263","","0.0654","","0.0654","","","1.036","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011619","5.0955","0.0003","13.2155","0.0007","20.167","0.0011","90","","90","","90","","1358.04","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-valine","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","JZ1429","Görbitz, Carl Henrik","An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine","Acta Crystallographica Section C","2000","56","12","1496","1498","10.1107/S0108270100012762","","","0.71073","MoKα","","0.03","0.0277","","","","0.0703","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011620","10.53","0.004","11.873","0.003","8.798","0.004","90.76","0.04","113.31","0.04","112.05","0.02","919.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","p-Toluenesulfon-(2-p-tolylthio)anilide","4-methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C40 H38 N2 O4 S4 -","2","1","OA1105","Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine","4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide","Acta Crystallographica Section C","2000","56","12","1490","1491","10.1107/S0108270100012725","","","1.5418","CuKα","","0.0645","0.0494","","","","0.1467","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011621","11.331","0.003","10.183","0.002","9.962","0.002","90","","90","","90","","1149.5","0.4","296.2","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.25","QA0384","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","1<i>H</i>,1'<i>H</i>-2,2'-Bibenzimidazole","Acta Crystallographica Section C","2000","56","12","e596","e597","10.1107/S0108270100014761","","","0.7107","MoKα","","","0.0425","","","","0.1274","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011622","8.3083","0.0007","11.5075","0.0009","13.36","0.002","90","","96.034","0.009","90","","1270.2","0.2","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Cl2 N3 Ti -","- C6 H19 Cl2 N3 Ti -","- C24 H76 Cl8 N12 Ti4 -","4","1","QA0394","Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)]","Acta Crystallographica Section C","2000","56","12","e541","e541","10.1107/S0108270100014773","","","0.71073","MoKα","","0.048","0.03","","","","0.04","","","","","","1.294","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011623","15.87","0.001","7.3481","0.0008","14.262","0.001","90","","102.032","0.005","90","","1626.6","0.2","298.2","","298.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","lansoprazole","2-({[3-methyl-4-(2,2,2-trifluroethoxy)-2-pyridinyl]methyl}- sulfinyl)-1H-benzimidazole","","- C16 H14 F3 N3 O2 S -","- C16 H14 F3 N3 O2 S -","- C64 H56 F12 N12 O8 S4 -","4","1","QA0397","Vyas, K.; Sivalakshmidevi, A.; Om Reddy, G.","Lansoprazole, an antiulcerative drug","Acta Crystallographica Section C","2000","56","12","e572","e573","10.1107/S0108270100014943","","","1.5418","CuKα","","0.049","0.047","","0.078","","0.077","","","1.916","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011624","11.735","0.001","9.775","0.001","20.695","0.002","90","","90","","90","","2373.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(1,3-Dithian-2-yl)-2-phenylethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C96 H112 O8 S16 -","8","1","QA0403","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","1-(1,3-Dithian-2-yl)-2-phenylethanone","Acta Crystallographica Section C","2000","56","12","e567","e568","10.1107/S0108270100014785","","","0.71073","MoKα","","0.036","0.03","","","","0.08","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011625","11.385","0.002","9.951","0.002","20.745","0.004","90","","92.72","0.03","90","","2347.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd(phen)(tren)](NO~3~)~2~(H~2~O)","(1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate","","- C18 H28 Cd N8 O7 -","- C18 H28 Cd N8 O7 -","- C72 H112 Cd4 N32 O28 -","4","1","QA0409","Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian","A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate","Acta Crystallographica Section C","2000","56","12","e562","e563","10.1107/S0108270100016279","","","0.71073","MoKα","","0.035","0.03","","","","0.087","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011626","8.854","0.001","12.122","0.001","17.708","0.002","90","","90","","90","","1900.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","eudesmane sesquiterpenoid","3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","QA0410","Wang, Qiguang; Ma, Chunling; Zhai, Jianjun","Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>","Acta Crystallographica Section C","2000","56","12","e569","e569","10.1107/S0108270100014797","","","0.71073","MoKα","","0.056","0.04","","0.039","","0.039","","","1.421","","","1.421","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011627","18.085","0.0006","6.067","0.0002","15.983","0.0006","90","","113.28","0.002","90","","1610.9","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-Benzyl-2-nitro-3-phenylpropanoate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","QA0411","Miller, Tod J.; Fu, Yanwen; Fronczek, Frank R.; Hammer, Robert P.","Ethyl 2-benzyl-2-nitro-3-phenylpropanoate","Acta Crystallographica Section C","2000","56","12","e574","e575","10.1107/S0108270100014955","","","0.71073","MoKα","","0.064","0.039","","","","0.094","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011628","6.559","0.0011","23.134","0.005","6.746","0.0012","90","","119.071","0.015","90","","894.7","0.3","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 N4 O12 -","- C10 H26 N4 O12 -","- C20 H52 N8 O24 -","2","0.5","QA0416","Bergstrom, Christina L.; Luck, Rudy L.; Luehrs, Dean C.","Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate","Acta Crystallographica Section C","2000","56","12","e591","e591","10.1107/S0108270100015687","","","0.71069","MoKα","","","0.039","","","","0.104","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011629","11.13","0.002","11.732","0.002","12.258","0.002","99.66","0.02","110.34","0.01","110.23","0.01","1330.6","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H68 N6 Ni3 O16 -","- C46 H68 N6 Ni3 O16 -","- C46 H68 N6 Ni3 O16 -","1","0.5","QA0417","Martin, Cassandra J.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","Bis(di-μ-acetato-aqua{2-[<i>N</i>-ethyl-<i>N</i>-(2-hydroxy-4-methylbenzyl)aminomethyl]-1-methylbenzimidazole}nickel)nickel(II) tetrahydrate","Acta Crystallographica Section C","2000","56","12","e549","e549","10.1107/S0108270100014967","","","1.5418","CuKα","","0.099","0.058","","0.053","","0.047","","","1.927","","","1.75","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2011630","4.5377","0.0002","6.9065","0.0002","12.3009","0.0005","90","","90.372","0.002","90","","385.5","0.03","200","0.1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C16 H20 O6 -","2","1","QA0418","Harper, James K.; Arif, Atta M.; Li, J. Y.; Strobel, Gary; Grant, David M.","Terrein","Acta Crystallographica Section C","2000","56","12","e570","e571","10.1107/S0108270100014803","","","0.71073","MoKα","","","0.035","","","","0.09","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011631","15.995","0.002","6.865","0.001","21.934","0.005","90","","94.16","0.02","90","","2402.1","0.7","213","2","213","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C88 H104 N24 O32 -","8","2","QA0419","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","A dideoxydidehydronucleoside derivative","Acta Crystallographica Section C","2000","56","12","e600","e601","10.1107/S0108270100017005","","","0.71073","MoKα","","0.058","0.035","","","","0.098","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011632","15.1607","0.0007","12.786","0.0009","23.316","0.001","90","","90","","90","","4519.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H52 Cu2 F12 N10 O2 P2 -","- C30 H52 Cu2 F12 N10 O2 P2 -","- C120 H208 Cu8 F48 N40 O8 P8 -","4","0.5","QA0421","Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate)","Acta Crystallographica Section C","2000","56","12","e543","e544","10.1107/S0108270100014815","","","0.71073","MoKα","","0.149","0.069","","","","0.189","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011633","19.096","0.003","19.096","0.003","19.096","0.003","90","","90","","90","","6963.5","1.9","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C70 H77 Li O4 S9 Ti2 -","- C69.96 H76.92 Li O3.99 S9 Ti2 -","- C279.84 H307.68 Li4 O15.96 S36 Ti8 -","4","0.333333","QA0422","Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~]","Acta Crystallographica Section C","2000","56","12","e542","e542","10.1107/S0108270100014979","","","0.71073","MoKα","","0.0699","0.0462","","","","0.1269","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011634","7.5279","0.0003","10.4817","0.0004","24.7865","0.0011","90","","90","","90","","1955.78","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Br4 N O Sn2 -","- C9 H21 Br4 N O Sn2 -","- C36 H84 Br16 N4 O4 Sn8 -","4","1","QA0424","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-μ-bromo-bromodimethyltin(IV)","Acta Crystallographica Section C","2000","56","12","e550","e551","10.1107/S0108270100014980","","","0.71069","MoKα","","0.06","0.036","","","","0.065","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011635","8.307","0.0005","8.9554","0.0004","14.3472","0.0008","80.407","0.003","84.441","0.002","63.194","0.002","939.02","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","decabromodiphenyl ether","1-(2,3,4,5,6-pentabromophenoxy)-2,3,4,5,6-pentabromobenzene","","- C12 Br10 O -","- C12 Br10 O -","- C24 Br20 O2 -","2","1","QA0425","Mrse, Anthony A.; Watkins, Steven F.; Fronczek, Frank R.","Rerefinement of decabromodiphenyl ether from new area-detector data","Acta Crystallographica Section C","2000","56","12","e576","e577","10.1107/S0108270100015699","","","0.71073","MoKα","","0.117","0.043","","","","0.085","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011636","9.3674","0.0003","11.0111","0.0003","13.6724","0.0004","94.198","0.001","92.139","0.001","98.968","0.001","1387.57","0.07","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Chloro[eta^6^:eta^1^:eta^1^-{1-(3-(2-(diphenylphosphanyl)ethyl)benzyl) -3,5-dimethyl-1H-pyrazole}]ruthenium(II) trifluoromethanesulfonate","","- C27 H27 Cl F3 N2 O3 P Ru S -","- C27 H27 Cl F3 N2 O3 P Ru S -","- C54 H54 Cl2 F6 N4 O6 P2 Ru2 S2 -","2","1","QA0428","Therrien, Bruno; Ward, Thomas R.","Chloro(1-{3-[2-(diphenylphosphanyl-κ<i>P</i>)ethyl]-η^6^-benzyl}-3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","12","e561","e561","10.1107/S0108270100015705","","","0.71073","MoKα","","0.075","0.051","","","","0.12","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011637","10.004","0.002","17.151","0.004","14.472","0.003","90","","101.06","0.02","90","","2437","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris-(2-benzoylamino-ethyl)amine","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C108 H120 N16 O12 -","4","1","QA0433","Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J.","Tris[2-(benzoylamino)ethyl]amine","Acta Crystallographica Section C","2000","56","12","e602","e603","10.1107/S0108270100017017","","","0.71073","MoKα","","0.146","0.059","","","","0.165","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011638","12.282","0.003","12.407","0.003","4.2191","0.0008","90","","95.55","0.03","90","","639.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 Br2 N2 Pb -","- C10 H8 Br2 N2 Pb -","- C20 H16 Br4 N4 Pb2 -","2","0.25","QA0434","Cui, Yong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai","Poly[lead(II)-μ-4,4-bipyridine-<i>N</i>:<i>N</i>'-di-μ-bromo]","Acta Crystallographica Section C","2000","56","12","e552","e553","10.1107/S0108270100014992","","","0.71073","MoKα","","0.049","0.048","","","","0.128","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011639","6.371","0.004","8.824","0.008","34.303","0.01","90","","90","","90","","1928","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","QA0435","Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael","The peptide (<i>Z</i>)-Pro‒Leuol","Acta Crystallographica Section C","2000","56","12","e578","e579","10.1107/S010827010001502X","","","1.5418","CuKα","","0.117","0.067","","0.093","","0.093","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011640","7.419","0.004","7.522","0.004","21.814","0.008","90","","90","","90","","1217.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","QA0436","Gloe, Karsten; Uzoukwu, Bieluonwu A.; Rademacher, Otto; 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one hydrate","Acta Crystallographica Section C","2000","56","12","e580","e581","10.1107/S0108270100015031","","","0.71073","MoKα","","0.042","0.037","","","","0.103","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011641","7.0198","0.0002","12.0153","0.0005","24.669","0.002","90","","90","","90","","2080.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5α-9(11)(16)-pregnadien-3β-ol-20-oxime acetate","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C92 H132 N4 O12 -","4","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.0459","0.0389","","0.111","","0.111","","","1.057","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011642","10.112","0.001","7.7821","0.0006","12.0922","0.0009","90","","91.73","0.01","90","","951.13","0.14","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-9(11)-androsten-3β-ol-17-one acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.078","0.0479","","0.147","","0.147","","","1.055","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011643","10.2673","0.0001","10.3671","0.0002","17.3596","0.0001","95.459","0.001","103.172","0.001","96.048","0.001","1775.57","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-diphenylpropane-1,3-dionato-O,O')(diphenyl sulfoxide-S)dioxouranium(VI)","","- C42 H32 O7 S U -","- C42 H32 O7 S U -","- C84 H64 O14 S2 U2 -","2","1","QA0438","Kannan, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Bis(1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>')(diphenyl sulfoxide-<i>O</i>)dioxouranium(VI)","Acta Crystallographica Section C","2000","56","12","e545","e546","10.1107/S0108270100014827","","","0.71073","MoKα","","0.057","0.045","","","","0.107","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011644","10.397","0.0015","10.397","0.0015","29.262","0.006","90","","90","","90","","3163.2","0.9","212","2","212","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","none","tetracis(diethyldithiocarbamato)tellurium(IV)","","- C20 H40 N4 S8 Te -","- C20 H40 N4 S8 Te -","- C80 H160 N16 S32 Te4 -","4","0.5","QA0439","Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter","Tetragonal polymorphic modification of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(IV)","Acta Crystallographica Section C","2000","56","12","e589","e590","10.1107/S0108270100015389","","","0.71073","MoKα","","0.04","0.029","","","","0.057","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011645","22.3858","0.0004","22.3858","0.0004","22.3858","0.0004","90","","90","","90","","11218.1","0.3","150","0.1","150","1","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","Chlorotrineophylstannane","Chloro-Tris(2-Methyl-2-Phenylpropyl)-Tin","","- C30 H39 Cl Sn -","- C30 H39 Cl Sn -","- C480 H624 Cl16 Sn16 -","16","0.333333","QA0440","Low, John Nicolson; Wardell, J.; Bomfim, João a. S.; Wardell, Solange M. S. V.","Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150K","Acta Crystallographica Section C","2000","56","12","e554","e554","10.1107/S0108270100015067","","","0.71073","MoKα","","0.063","0.042","","","","0.123","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011646","6.786","0.0014","9.174","0.0018","14.982","0.003","90","","101.42","0.03","90","","914.2","0.3","176","2","176","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Al2 Cl4 O2 Si2 -","- C6 H18 Al2 Cl4 O2 Si2 -","- C12 H36 Al4 Cl8 O4 Si4 -","2","0.5","QA0441","Kouvetakis, John; Ritter, Cole; Groy, Thomas L.","The centrosymmetric dimer of dichloro(trimethylsiloxy)aluminium","Acta Crystallographica Section C","2000","56","12","e564","e564","10.1107/S0108270100017261","","","0.71073","MoKα","","0.088","0.054","","","","0.155","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011647","21.763","0.002","22.955","0.002","30.767","0.002","90","","90","","90","","15370","2","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C98 H83 Ag B N P4 -","- C98 H83 Ag B N P4 -","- C784 H664 Ag8 B8 N8 P32 -","8","0.5","QA0442","Ellis, Dianne D.; Spek, Anthony L.","Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate","Acta Crystallographica Section C","2000","56","12","e547","e548","10.1107/S0108270100015079","","","0.71073","MoKα","","0.128","0.058","","","","0.14","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011648","10.3124","0.0002","8.6888","0.0003","13.3156","0.0003","90","","97.2427","0.0015","90","","1183.59","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl-2-amino-4-phenyl-1,3-thiazole-5-carboxylate","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","QA0444","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate","Acta Crystallographica Section C","2000","56","12","e586","e586","10.1107/S0108270100015201","","","0.71073","MoKα","","0.043","0.037","","","","0.102","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011649","11.197","0.002","8.932","0.002","6.976","0.002","90","","90.21","0.02","90","","697.7","0.3","298","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-epi-inosose","(-)-2L-(2,3,4,6/5)-2,3,4,5,6-pentahydroxycyclohexanone","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","2","QA0445","Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi","(‒)-<i>epi</i>-Inosose-2","Acta Crystallographica Section C","2000","56","12","e584","e585","10.1107/S0108270100015092","","","0.71073","MoKα","","","0.024","","","","0.068","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011650","11.9231","0.0007","5.4888","0.0003","12.3788","0.0008","90","","91.527","0.003","90","","809.82","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Phenyl)thiosemicarbazide","","- C7 H9 N3 S -","- C7 H9 N3 S -","- C28 H36 N12 S4 -","4","1","QA0447","Lynch, Daniel E.; McClenaghan, Ian","Redetermination of 4-(phenyl)thiosemicarbazide","Acta Crystallographica Section C","2000","56","12","e587","e587","10.1107/S0108270100015390","","","0.71073","MoKα","","0.052","0.04","","","","0.132","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011651","13.115","0.003","24.305","0.003","6.388","0.003","90","","90","","90","","2036.2","1.1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","1","QA0448","Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya","(<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2000","56","12","e592","e593","10.1107/S0108270100015717","","","0.7107","MoKα","","","0.0483","","","","0.1371","","","","","","1.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011652","6.7416","0.0001","9.8984","0.0002","17.3338","0.0003","90","","91.82","0.001","90","","1156.12","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Br4 N Ti -","- C6 H7 Br4 N Ti -","- C24 H28 Br16 N4 Ti4 -","4","1","QA0449","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Tetrabromo(2-methylpyridine-<i>N</i>)titanate(IV)","Acta Crystallographica Section C","2000","56","12","e565","e566","10.1107/S0108270100015407","","","0.71073","MoKα","","0.093","0.055","","0.106","0.095","0.106","","","1.088","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011653","7.0907","0.0014","8.0793","0.0016","23.07","0.005","90","","96.1","0.03","90","","1314.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-(methylfur-2-yl)-1-phenylpent-4-ene-1,3-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","QA0450","Arrieta, Antonio F; Haglund, Kjersti Ann; Mostad, Arvid","Conjugation and hydrogen bonding in a curcumin analogue","Acta Crystallographica Section C","2000","56","12","e594","e595","10.1107/S0108270100015729","","","0.71073","MoKα","","0.06","0.04","","","","0.098","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011654","10.355","0.001","11.815","0.002","9.9","0.001","105.06","0.01","97.47","0.01","107.58","0.01","1086","0.3","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 Co N7 O5 -","- C50 H42 Co N7 O5 -","- C50 H42 Co N7 O5 -","1","0.5","QA0451","Ohba, Shigeru; Eishima, Makoto; Seki, Hiroshi","Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2000","56","12","e555","e556","10.1107/S0108270100015109","","","0.71073","MoKα","","","0.043","","","","0.123","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011655","6.601","0.002","12.721","0.002","14.072","0.001","90","","97.06","0.01","90","","1172.7","0.4","298","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl Co N6 O5 -","- C4 H16 Cl Co N6 O5 -","- C16 H64 Cl4 Co4 N24 O20 -","4","1","QA0452","Ohba, Shigeru; Eishima, Makoto","<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) nitrate","Acta Crystallographica Section C","2000","56","12","e557","e558","10.1107/S0108270100015122","","","0.71073","MoKα","","","0.032","","","","0.082","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011656","8.349","0.002","12.644","0.003","6.556","0.003","103.19","0.03","105.11","0.03","77.3","0.02","641","0.4","298","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Cl2 Co N5 O6 -","- C4 H16 Cl2 Co N5 O6 -","- C8 H32 Cl4 Co2 N10 O12 -","2","1","QA0453","Ohba, Shigeru; Eishima, Makoto","<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) perchlorate","Acta Crystallographica Section C","2000","56","12","e559","e560","10.1107/S0108270100015134","","","0.71073","MoKα","","","0.042","","","","0.112","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011657","11.2926","0.0006","10.4429","0.0004","11.2028","0.0004","90","","115.829","0.015","90","","1189.14","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-pyrrolidino-1,4-naphthoquinone","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","QA0454","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2000","56","12","e588","e588","10.1107/S0108270100015730","","","0.71073","MoKα","","0.084","0.044","","","","0.118","","","","","","0.972","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011658","6.0228","0.0003","24.792","0.001","12.189","0.001","90","","100.928","0.001","90","","1787.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid","","- C19 H20 O8 -","- C19 H20 O8 -","- C76 H80 O32 -","4","1","QA0457","Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Saewon, Nisakorn; Karalai, Chatchanok; Chantrapromma, Kan","2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid","Acta Crystallographica Section C","2000","56","12","e598","e599","10.1107/S0108270100016280","","","0.71073","MoKα","","0.136","0.08","","","","0.231","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011659","7.2902","0.0007","23.644","0.002","12.0207","0.0009","90","","106.448","0.006","90","","1987.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(N-methyl-2-chloropyridinium)-iodide-triiodide","","","- C12 H14 Cl2 I4 N2 -","- C12 H14 Cl2 I4 N2 -","- C48 H56 Cl8 I16 N8 -","4","1","QA0458","Heigel, Erik; Bock, Hans; Seibel, Andreas","Bis(2-chloro-<i>N</i>-methylpyridinium) iodide triiodide","Acta Crystallographica Section C","2000","56","12","e604","e605","10.1107/S0108270100017315","","","0.71073","MoKα","","0.048","0.036","","","","0.085","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011660","5.31997","0.00014","5.31997","0.00014","9.5567","0.0003","90","","90","","120","","234.238","0.011","295","","295","","","","","","","","","3","P 3","P 3","143","Sodium Titanate","sodium titanate","","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","1","0.333333","QD0006","Avdeev, Maxim; Kholkin, Andrei","Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data","Acta Crystallographica Section C","2000","56","12","e539","e540","10.1107/S0108270100014839","","","1.54056","CuKα~1~","","","","","","","","","","5.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011661","29.456","0.006","15.44","0.003","8.19","0.0016","90","","99.52","0.03","90","","3673.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-nitrobenzyl)maleonitriledithioether","","- C18 H12 N4 O4 S2 -","- C18 H12 N4 O4 S2 -","- C144 H96 N32 O32 S16 -","8","1","SK1375","Ren, Xiao-Ming; Xu, Yan; Hu, Chuan-Jiang; Meng, Qing-Jin; Lu, Chang-Sheng; Wang, Hua-Ting","2,3-Bis(4-nitrobenzylthio)maleonitrile","Acta Crystallographica Section C","2000","56","12","1499","1500","10.1107/S010827010001283X","","","0.71073","MoKα","","0.0663","0.0332","","","","0.1004","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011662","7.47","0.001","14.681","0.002","27.079","0.004","90","","90","","90","","2969.7","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha-Onocerin","8(26),14(27)-Onoceradiene-3,21-diol","","- C30.5 H50.5 Cl1.5 O2 -","- C30.5 H50.5 Cl1.5 O2 -","- C122 H202 Cl6 O8 -","4","1","SK1405","Fröhlich, Roland; Pauli, Guido F.","α-Onocerin chloroform hemisolvate","Acta Crystallographica Section C","2000","56","12","1476","1477","10.1107/S0108270100012403","","","1.54178","CuKα","","0.127","0.076","","","","0.228","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011663","29.038","0.006","7.233","0.001","9.629","0.002","90","","95.45","0.03","90","","2013.3","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","glycyl-dl-leucine","dl-2-(2-amino-acetylamino)-4-metyhl-pentanoic acid","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C64 H128 N16 O24 -","8","1","SK1407","Bombicz, Petra; Dittrich, Birger; Strumpel, Marianna; Nabein, Hans-Peter; Luger, Peter","Racemic dipeptide glycyl-<small>DL</small>-leucine at 120K","Acta Crystallographica Section C","2000","56","12","1447","1449","10.1107/S0108270100011616","","","0.71073","MoKα","","0.0447","0.0409","","","","0.1148","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011664","24.7585","0.0004","11.446","0.0002","16.5815","0.0001","90","","112.689","0.001","90","","4335.32","0.11","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Structure of hexakis(imidazole)nickel(II) bis(O,O'-disopropyl dithiophosphate)","","- C30 H52 N12 Ni O4 P2 S4 -","- C30 H52 N12 Ni O4 P2 S4 -","- C120 H208 N48 Ni4 O16 P8 S16 -","4","0.5","SK1416","Hao, Qingli; Jian, Fangfang; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis[<i>O</i>,<i>O</i>'-diisopropyl dithiophosphate(1‒)]","Acta Crystallographica Section C","2000","56","12","1431","1432","10.1107/S0108270100012841","","","0.71073","MoKα","","0.121","0.072","","","","0.227","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011665","23.6968","0.0015","7.651","0.0005","15.1664","0.001","90","","92.36","0.001","90","","2747.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-Nitrophenylthio)saccharin","","- C13 H8 N2 O5 S2 -","- C13 H8 N2 O5 S2 -","- C104 H64 N16 O40 S16 -","8","1","SK1418","Glidewell, Christopher; Low, John N.; Wardell, James L.","Hydrogen-bonded dimers in <i>N</i>-(2-nitrophenylthio)saccharin","Acta Crystallographica Section C","2000","56","12","1462","1464","10.1107/S0108270100012415","","","0.71073","MoKα","","0.053","0.033","","","","0.081","","","","","","0.921","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011666","8.2214","0.0004","11.4293","0.0005","14.3861","0.0006","90","","90","","90","","1351.79","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Nitrophenyl-β-D-thiogalactopyranoside","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C48 H60 N4 O28 S4 -","4","1","SK1419","Glidewell, Christopher; Low, John N.; Wardell, James L.","Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-β-<small>D</small>-thiogalactopyranoside","Acta Crystallographica Section C","2000","56","12","1465","1467","10.1107/S0108270100012427","","","0.71073","MoKα","","0.03","0.027","","","","0.074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011667","4.3048","0.001","18.108","0.003","13.3152","0.0017","90","","95.847","0.013","90","","1032.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dibromo-3-methoxy-6-nitrobenzaldehyde","","- C8 H5 Br2 N O4 -","- C8 H5 Br2 N O4 -","- C32 H20 Br8 N4 O16 -","4","1","SK1420","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.","2,4-Dibromo-3-methoxy-6-nitrobenzaldeyde: effect of substituents on ring geometry","Acta Crystallographica Section C","2000","56","12","1501","1502","10.1107/S0108270100012853","","","0.71073","MoKα","","0.113","0.035","","","","0.099","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011668","5.0186","0.0005","9.6408","0.0009","14.5082","0.0014","90","","98.21","0.01","90","","694.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-NI","7-Nitro-1H-indazole","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C28 H20 N12 O8 -","4","1","SX1105","Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain","7-Nitro-1<i>H</i>-indazole, an inhibitor of nitric oxide synthase","Acta Crystallographica Section C","2000","56","12","1503","1504","10.1107/S0108270100012956","","","0.71073","MoKα","","0.058","0.046","","","","0.135","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011669","19.3044","0.0004","10.6009","0.0003","11.6549","0.0003","90","","125.527","0.002","90","","1941.1","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate","","- C20 H20 F6 N3 P -","- C20 H20 F6 N3 P -","- C80 H80 F24 N12 P4 -","4","1","SX1113","Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B.","<i>trans</i>-4-[4-(Dimethylamino)phenyliminomethyl]-<i>N</i>-phenylpyridinium hexafluorophosphate","Acta Crystallographica Section C","2000","56","12","1487","1489","10.1107/S0108270100012543","","","0.71073","MoKα","","0.042","0.036","","","","0.092","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011670","10.191","0.007","10.963","0.01","12.621","0.0011","102.23","0.06","114.58","0.03","100.64","0.06","1192.7","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","13,13a-Dihydro-9-methyl-13-methoxy-1-benzopyrano[4,3-i]- dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3,3,1]nonane","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","VJ1108","Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha","13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-<i>i</i>]dinaphtho[2,1-<i>c</i>;1',2'-<i>f</i>]-2,8-dioxabicyclo[3.3.1]nonane","Acta Crystallographica Section C","2000","56","12","1450","1451","10.1107/S010827010001180X","","","1.5418","CuKα","","0.0614","0.0504","","","","0.1514","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011671","19.2711","0.001","9.769","0.003","10.2592","0.001","90","0.01","103.666","0.013","90","0.01","1876.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5 -carboxylate","","- C15 H23 N3 O5 S -","- C15 H23 N3 O5 S -","- C60 H92 N12 O20 S4 -","4","1","VJ1112","Singh, Umesh Prasad; Thomas, Mini; Seshadri, T.P.; Bhattacharya, Santanu","Ethyl 2-[<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-<small>L</small>-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a <i>trans</i> orientation of the preceding amide N—H with respect to the thiazole-ring sulfur","Acta Crystallographica Section C","2000","56","12","1482","1483","10.1107/S0108270100012439","","","1.5418","CuKα","","0.0405","0.0379","","","","0.1088","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011672","7.609","0.003","9.63","0.002","12.858","0.002","110.14","0.01","94.8","0.02","96.83","0.02","870.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-Chlorophenyl-N-phenylnitrone","N-(benzylidene)(3-chlorophenyl)N-oxide","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","VJ1113","Chandrasekar, S.; Panchanatheswaran, K.","<i>N</i>-(3-Chlorophenyl)-α-phenylnitrone: association with benzoic acid through hydrogen bonding","Acta Crystallographica Section C","2000","56","12","1442","1443","10.1107/S0108270100011379","","","1.5418","CuKα","","0.0638","0.0512","","0.1457","0.1352","","","","1.052","1.103","1.103","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011673","9.3105","0.0007","29.929","0.002","7.453","0.006","90","","90.64","0.07","90","","2076.7","1.7","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-hexylammonium dihydrogenarsenate","","- C6 H18 As N O4 -","- C6 H18 As N O4 -","- C48 H144 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in <i>n</i>-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic <i>n</i>-hexyl- and <i>n</i>-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0969","0.036","","0.0465","","0.0465","","","1.89","2.41","2.41","1.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011674","9.307","0.001","34.936","0.004","7.488","0.001","90","","90.58","0.01","90","","2434.6","0.5","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-octylammonium dihydrogenarsenate","","- C8 H22 As N O4 -","- C8 H22 As N O4 -","- C64 H176 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in <i>n</i>-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic <i>n</i>-hexyl- and <i>n</i>-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0827","0.0433","","0.0695","","0.0695","","","3.19","4","4","3.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011675","7.725","0.003","10.321","0.003","15.548","0.005","80.26","0.02","77.18","0.02","74.82","0.02","1158.4","0.7","170","1","170","1","","","","","","","","6","P -1","-P 1","2","","(2-Chlorobenzyl)tris(pyridine-2-thiolato)-κ^2^N,S;κ^2^N,S;κS-tin(IV)","","- C22 H18 Cl N3 S3 Sn -","- C22 H18 Cl N3 S3 Sn -","- C44 H36 Cl2 N6 S6 Sn2 -","2","1","AV1054","Markus Schürmann; Friedo Huber; Renato Barbieri","(2-Chlorobenzyl)tris(2-pyridinethiolato)tin(IV)","Acta Crystallographica Section C","2001","57","1","40","41","10.1107/S0108270100015146","","","0.71073","MoKα","","0.046","0.033","","","","0.073","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011676","7.346","0.001","9.6957","0.0006","14.915","0.001","90","","94.69","0.03","90","","1058.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mercury(II) complex of benzothiazole","Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II))","","- C8 H7 Cl2 Hg N S -","- C8 H7 Cl2 Hg N S -","- C32 H28 Cl8 Hg4 N4 S4 -","4","1","AV1065","Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna","<i>catena</i>-Poly[[(2-methyl-1,3-benzothiazole-<i>N</i>)mercury(II)]-di-μ-chloro]","Acta Crystallographica Section C","2001","57","1","20","21","10.1107/S0108270100013846","","","0.71073","MoKα","","0.0797","0.0475","","","","0.1345","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011677","18.1926","0.0002","18.1926","0.0002","8.4442","0.0001","90","","90","","90","","2794.78","0.05","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C21 H40 B7 Cl O Rh2 S -","- C21 H40 B7 Cl O Rh2 S -","- C84 H160 B28 Cl4 O4 Rh8 S4 -","4","1","BJ1000","Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark","[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-<i>arachno</i>-6,9,5-Rh~2~SB~7~H~7~]","Acta Crystallographica Section C","2001","57","1","52","54","10.1107/S0108270100015432","","","0.71073","MoKα","","0.0317","0.031","","","","0.0799","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011678","11.7493","0.0001","19.0809","0.0003","14.6006","0.0002","90","","90","","90","","3273.27","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cd N2 O4 P2 S4 -","- C24 H36 Cd N2 O4 P2 S4 -","- C96 H144 Cd4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.071","0.054","","","","0.168","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011679","11.5761","0.0002","18.8015","0.0001","14.7098","0.0002","90","","90","","90","","3201.56","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]","","- C24 H36 Fe N2 O4 P2 S4 -","- C24 H36 Fe N2 O4 P2 S4 -","- C96 H144 Fe4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.093","0.074","","","","0.127","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011680","6.181","0.001","9.2","0.001","10.691","0.001","90","","102.94","0.01","90","","592.51","0.13","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium glucoheptonate dihydrate","Sodium D-glycero-D-gulo-heptonate dihydrate","","- C7 H17 Na O10 -","- C7 H17 Na O10 -","- C14 H34 Na2 O20 -","2","1","BK1543","Park, Young Ja; Lee, Bo Hyung","Sodium α-glucoheptonate dihydrate","Acta Crystallographica Section C","2001","57","1","12","13","10.1107/S010827010001355X","","","0.7107","MoKα","","0.033","0.032","","","","0.09","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011681","7.113","0.005","9.339","0.007","14.526","0.01","79.14","0.01","85.37","0.01","86.49","0.01","943.5","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-(3'-bromo-4' -hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C17 H19 Br Cl N3 O4 -","- C17 H19 Br Cl N3 O4 -","- C34 H38 Br2 Cl2 N6 O8 -","2","1","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.0514","0.037","","","","0.1","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011682","9.4851","0.0007","10.3688","0.0008","15.9106","0.0012","90.954","0.001","99.108","0.001","95.438","0.001","1537.3","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","4-(3'-Hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C16 H16 Cl N3 O3 -","- C16 H16 Cl N3 O3 -","- C64 H64 Cl4 N12 O12 -","4","2","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.1061","0.043","","","","0.091","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011683","16.113","0.004","19.079","0.005","17.227","0.004","90","","92.873","0.005","90","","5289","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Fe N9 O15 S3 -","- C57 H49 Fe N9 O15 S3 -","- C228 H196 Fe4 N36 O60 S12 -","4","1","","Deng, Robert M. K.; Simon, Sabitha; Dillon, Keith B.; Goeta, Andres E.","A saccharinate-iron(II) complex with a free saccharin molecule present: [Fe(phen)~3~]sac~2~.sacH.6H~2~O","Acta Crystallographica, Section C","2001","57","","04","06","10.1107/S0108270100013093","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011684","8.0516","0.0012","8.1214","0.0012","9.9064","0.0015","88.427","0.004","86.171","0.004","67.868","0.003","598.71","0.16","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Trimethoxy-3-(1-chlorovinyl)benzaldehyde","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C24 H26 Cl2 O8 -","2","1","BM1428","Panda, Atulya K.; Parthasarathy, M. R.; Errington, William","3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde","Acta Crystallographica Section C","2001","57","1","102","103","10.1107/S0108270100014700","","","0.71073","MoKα","","0.0508","0.0464","","","","0.1369","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011685","4.8355","0.0008","11.583","0.002","17.304","0.003","90","","90","","90","","969.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenazine-2,3-diamine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","BM1429","Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.","Phenazine-2,3-diamine","Acta Crystallographica Section C","2001","57","1","104","105","10.1107/S0108270100014712","","","0.71073","MoKα","","0.05","0.041","","","","0.1148","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011686","9.2035","0.0002","15.9788","0.0005","13.2013","0.0003","90","","99.67","0.002","90","","1913.81","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,6:8,9-bis-μH-4-carbonyl-4-hydrido-4-bis(trimethylphosphine)-4-irido- arachno-nonaborane(12)","","- C7 H31 B8 Ir O P2 -","- C7 H31 B8 Ir O P2 -","- C28 H124 B32 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.042","0.041","","","","0.105","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011687","9.2655","0.0001","12.1784","0.0001","16.8668","0.0001","90","","94.702","0.001","90","","1896.83","0.03","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2,5:6,9:8,9-tri-μH-2-carbonyl-4-chloro-2-bis(trimethylphosphine)-2-irido- nido-nonaborane(11)","","- C7 H28 B8 Cl Ir O P2 -","- C7 H28 B8 Cl Ir O P2 -","- C28 H112 B32 Cl4 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.021","0.017","","","","0.041","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011688","20.013","0.006","13.456","0.003","11.424","0.003","90","","90","","90","","3076.4","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C11 H17 N5 O2 S2 -","- C11 H17 N5 O2 S2 -","- C88 H136 N40 O16 S16 -","8","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","3.22","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011689","7.354","0.003","9.098","0.004","21.738","0.008","90","","97.33","0.02","90","","1442.5","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C10 H15 N5 O2 S2 -","- C10 H15 N5 O2 S2 -","- C40 H60 N20 O8 S8 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.94","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011690","10.271","0.003","6.836","0.0002","19.642","0.002","90","","90","","90","","1379.1","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Diethylamino-6-methylamino-5-nitropyrimidinium chloride monohydrate","","- C9 H18 Cl N5 O3 -","- C9 H18 Cl N5 O3 -","- C36 H72 Cl4 N20 O12 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.86","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2011691","9.276","0.0003","9.276","0.0003","22.464","0.0008","90","","90","","120","","1673.9","","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- As3 Na2.88 O12 Sc2 -","- As3 Na2.906 O12 Sc2 -","- As18 Na17.436 O72 Sc12 -","6","0.166667","","Harrison, William T. A.; Phillips, Mark L. F.","Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~","Acta Crystallographica, Section C","2001","57","","02","03","10.1107/S010827010001372X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011692","10.518","0.003","15.18","0.008","17.618","0.006","90","","98.85","0.02","90","","2779.5","1.9","295","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H30 Br2 N4 Ni O4 Zn -","- C23 H30 Br2 N4 Ni O4 Zn -","- C92 H120 Br8 N16 Ni4 O16 Zn4 -","4","1","DA1133","Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut","{Bis(<i>N</i>,<i>N</i>-dimethylformamide)[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II)","Acta Crystallographica Section C","2001","57","1","31","32","10.1107/S0108270100014487","","","0.71073","MoKα","","","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011693","9.3677","0.001","21.991","0.004","9.4564","0.0011","90","","115.827","0.009","90","","1753.5","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H48 O12 S2 -","- C33 H48 O12 S2 -","- C66 H96 O24 S4 -","2","1","DA1143","Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.","10-Deacetyl baccatin III dimethyl sulfoxide disolvate","Acta Crystallographica Section C","2001","57","1","64","65","10.1107/S0108270100011781","","","0.71073","MoKα","","","0.0556","","","0.136","","","","","1.084","1.084","","","","","has coordinates,has disorder,has Fobs","199684","2020-10-21","18:00:00",""
"2011694","10.371","0.002","7.102","0.0014","20.446","0.004","90","","94.07","0.03","90","","1502.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-poly[[diaqua(phenanthroline-N,N') manganese(II)-μu-(thiosulfato-O:S)]","","- C12 H12 Mn N2 O5 S2 -","- C12 H8 Mn N2 O5 S2 -","- C48 H32 Mn4 N8 O20 S8 -","4","2","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.067","0.062","","","","0.193","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011695","15.33","0.003","9.889","0.002","16.061","0.003","90","","90","","90","","2434.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'","","- C20 H16 Mn N4 O6 S4 -","- C20 H16 Mn N4 O6 S4 -","- C80 H64 Mn4 N16 O24 S16 -","4","0.5","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.145","0.052","","","","0.183","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011696","12.047","0.002","7.808","0.002","9.718","0.001","90","","108.71","0.01","90","","865.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.051","0.049","","","","0.125","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011697","13.258","0.002","7.3897","0.0017","14.2874","0.0013","90","","105.944","0.009","90","","1345.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-1,3,4-triazoline-2,5-dione adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-methyl-5,7,8,9,10,10a-hexahydro-1H-1,2,4-triazolo[1,2-a]cinnoline-7-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","0.71069","MoKα","","0.113","0.042","","","","0.13","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011698","6.812","0.003","10.494","0.007","11.023","0.005","96.014","0.007","90.97","0.01","90.21","0.02","783.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Dimethylacetylene dicarboxylate adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","dimethyl 1,2,3,4,4a,7-hexahydronaphthalene-1-spiro-2'-[1,3]oxathiolane-5,6-dicarboxylate","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.067","0.054","","","","0.17","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011699","10.369","0.002","20.791","0.003","8.071","0.003","90","","90","","90","","1740","0.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-Oxa-4-thiaspiro[4.5]decane","ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C76 H96 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","0.71069","MoKα","","0.129","0.044","","","","0.14","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011700","7.243","0.002","11.541","0.001","22.18","0.005","90","","94.09","0.02","90","","1849.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Oxa-4-thiaspiro[4.5]decane","2-(6-ethylidene-1-oxa-4-thiaspiro[4.5]decan-7-yl)ethyl 4-bromobenzoate","","- C19 H23 Br O3 S -","- C19 H23 Br O3 S -","- C76 H92 Br4 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","1.54178","CuKα","","0.091","0.054","","","","0.164","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011701","7.375","0.002","20.065","0.003","9.8088","0.0009","90","","91.717","0.007","90","","1450.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral <i>trans</i>-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0514","0.026","","0.0697","","0.0643","","","1.014","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011702","7.923","0.003","13.105","0.001","14.0273","0.0013","90","","91.908","0.01","90","","1455.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral <i>trans</i>-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0501","0.0323","","0.1093","","0.1048","","","1.142","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011703","8.9499","0.0009","14.5","0.002","7.7348","0.0011","90","","101.63","0.01","90","","983.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cu S6 -","- C12 H24 Cl2 Cu S6 -","- C24 H48 Cl4 Cu2 S12 -","2","0.5","DA1153","Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","<i>catena</i>-Poly[[<i>trans</i>-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-<i>S</i>^1^:<i>S</i>^10^]","Acta Crystallographica Section C","2001","57","1","36","37","10.1107/S0108270100014475","","","1.5418","CuKα","","0.0492","0.0397","","0.107","0.0981","","","","1.03","1.06","1.06","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011704","8.0595","0.0007","3.8631","0.0002","11.812","0.001","90","","90.16","0.008","90","","367.76","0.05","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","p-Formamidebenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","DA1154","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","<i>p</i>-Formamidobenzoic acid","Acta Crystallographica Section C","2001","57","1","86","87","10.1107/S0108270100013615","","","1.54184","CuKα","","0.046","0.046","","0.129","","0.129","","","1.134","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011705","11.088","0.002","6.884","0.001","21.976","0.004","90","","90","","90","","1677.4","0.5","293","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-phenyl-4-nitroimidazole","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.0504","0.0349","","","","0.0957","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011706","14.143","0.003","3.888","0.001","20.66","0.004","90","","94.92","0.03","90","","1131.9","0.4","293","2","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-phenyl-4-imidazolyl)-4-nitroimidazole","","- C12 H9 N5 O2 -","- C12 H9 N5 O2 -","- C48 H36 N20 O8 -","4","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.1627","0.0456","","","","0.1047","","","","","","0.781","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011707","9.026","0.001","12.623","0.002","10.683","0.001","90","","113.9","0.01","90","","1112.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2-[bis(2-aminoethyl)amino]ethanol}-nickel(II) perchlorate","","- C12 H34 Cl2 N6 Ni O10 -","- C12 H34 Cl2 N6 Ni O10 -","- C24 H68 Cl4 N12 Ni2 O20 -","2","0.5","DE1158","Xia, Jiang; Sun, Wei-Yin; Xu, Yan; Yu, Kai-Bei; Tang, Wen-xia","Hydrogen bonds in the framework of bis{2-[bis(2-aminoethyl)amino]ethanol}nickel(II) diperchlorate","Acta Crystallographica Section C","2001","57","1","38","39","10.1107/S0108270100014682","","","0.71073","MoKα","","0.0454","0.0367","","","","0.1052","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011708","8.169","0.016","12.841","0.003","14.772","0.003","72.6","0.03","75.54","0.03","72.64","0.03","1389","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","2","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.0786","0.0466","","","","0.1306","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011709","7.307","0.015","9.405","0.002","10.989","0.002","94.82","0.03","108.84","0.03","90.96","0.03","711.4","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohytrate","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohydrate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.1574","0.0624","","0.1668","","0.1167","","","1.031","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011710","13.462","0.004","5.079","0.004","14.127","0.004","90","0.04","111.53","0.04","90","0.04","898.5","0.8","293","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylindole-3-carboxyaldehyde oxime","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","2","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.144","0.049","","","","0.129","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011711","8.2351","0.0002","15.8892","0.0007","17.807","0.0011","71.148","0.004","81.245","0.004","75.124","0.003","2125.02","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","4","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.11","0.054","","","","0.173","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011712","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG1019","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar","Pseudokobusine","Acta Crystallographica Section C","2001","57","1","68","69","10.1107/S0108270100012828","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011713","24.6342","0.0007","11.7501","0.0002","21.4967","0.0007","90","","102.397","0.001","90","","6077.2","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6,9,16,19,22-Hexa-azatricyclo[22.2.2.2^11,14^]triconta- 1(26),11(29),12,14(30),24,27-hexaene‒3,5-dinitrobenzoic acid‒methanol (1/4/2)","","- C54 H62 N14 O26 -","- C54 H62 N14 O26 -","- C216 H248 N56 O104 -","4","0.5","GG1023","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A hydrogen-bonded adduct containing seven-component supramolecular aggregates","Acta Crystallographica Section C","2001","57","1","88","91","10.1107/S0108270100013792","","","0.71073","MoKα","","0.096","0.058","","","","0.137","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011714","10.5885","0.0004","11.584","0.0006","11.8301","0.0006","61.453","0.002","80.999","0.003","64.055","0.003","1143.62","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Trimethylenedipiperidine‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/1)","","- C23 H34 N2 O9 -","- C23 H34 N2 O9 -","- C46 H68 N4 O18 -","2","1","GG1025","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 4,4'-trimethylenedipiperidinium‒2,5-dicarboxybenzene-1,4-dicarboxylate‒water (1/1/1)","Acta Crystallographica Section C","2001","57","1","92","94","10.1107/S0108270100014013","","","0.71073","MoKα","","0.084","0.051","","","","0.118","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011715","12.4285","0.0014","14.4182","0.0014","17.8511","0.0018","90","","100.129","0.003","90","","3149","0.6","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-cyclobutenediylium-1,3-diolate","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C136 H160 N8 O8 S8 -","4","1","GG1026","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3<i>H</i>)-ylidene]methyl}cyclobutenediylium-1,3-diolate","Acta Crystallographica Section C","2001","57","1","126","128","10.1107/S0108270100015626","","","0.71073","MoKα","","0.087","0.041","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","194651","2020-10-21","18:00:00",""
"2011716","9.2955","0.0001","8.6076","0.0001","26.5354","0.0003","90","","96.44","0.001","90","","2109.75","0.04","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.041","","","","0.116","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011717","9.4105","0.0002","8.6979","0.0001","26.7515","0.0005","90","","95.993","0.001","90","","2177.69","0.07","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0448","","","","0.1307","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011718","9.4106","0.0006","8.6993","0.0003","26.7493","0.0016","90","","96","0.005","90","","2177.9","0.2","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0471","","","","0.1351","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011719","11.0323","0.0007","11.7742","0.0004","14.1121","0.0009","90","","99.38","0.002","90","","1808.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","2","GS1100","Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa","Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate","Acta Crystallographica Section C","2001","57","1","62","63","10.1107/S0108270100010830","","","0.71073","MoKα","","0.069","0.052","","","","0.048","","","1.215","","","1.241","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011720","6.6653","0.0006","5.0767","0.0004","22.615","0.002","90","","95.262","0.002","90","","762.02","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","GS1106","Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude","Absolute configuration of <i>N</i>-[(‒)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue","Acta Crystallographica Section C","2001","57","1","100","101","10.1107/S0108270100014724","","","0.71073","MoKα","","0.0392","0.036","","","","0.1069","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011721","7.8836","0.0012","20.134","0.003","6.089","0.004","90","","109.32","0.03","90","","912","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","μ-chloro(tricinato-N,O,O')copper(II)","","","- C6 H12 Cl Cu N O5 -","- C6 H12 Cl Cu N O5 -","- C24 H48 Cl4 Cu4 N4 O20 -","4","1","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro]","Acta Crystallographica, Section C","2001","57","","09","11","10.1107/S0108270100014281","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011722","7.047","0.004","12.9533","0.0013","7.297","0.002","90","","100.25","0.016","90","","655.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl2 Cu N6 O4 -","- C6 H14 Cl2 Cu N6 O4 -","- C12 H28 Cl4 Cu2 N12 O8 -","2","0.5","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Dichlorobis(glycocyamine-O)copper(II)","Acta Crystallographica, Section C","2001","57","","07","08","10.1107/S0108270100013469","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011723","11.8623","0.0002","16.3674","0.0001","14.1767","0.0002","90","","111.943","0.001","90","","2553.08","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichorobis(2-benzyl)benzimidazolo Zinc(II)","","- C28 H24 Cl2 N4 Zn -","- C28 H24 Cl2 N4 Zn -","- C112 H96 Cl8 N16 Zn4 -","4","1","LN1109","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Bis(2-benzyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)dichorozinc(II)","Acta Crystallographica Section C","2001","57","1","45","46","10.1107/S0108270100014876","","","0.71073","MoKα","","0.082","0.051","","","","0.133","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011724","9.1333","0.0007","7.431","0.0004","14.7171","0.0012","90","","101.052","0.009","90","","980.32","0.13","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Bipyridine dihydrate","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","2","LN1112","Näther, Christian; Riedel, Jens; Jeß, Inke","4,4'-Bipyridine dihydrate at 130K","Acta Crystallographica Section C","2001","57","1","111","112","10.1107/S0108270100014888","","","0.71073","MoKα","","0.073","0.041","","","","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011725","9.2248","0.0005","17.6451","0.0015","30.282","0.003","90","","90","","90","","4929.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 Cl3 O7 -","- C51 H69 Cl3 O7 -","- C204 H276 Cl12 O28 -","4","1","NA1482","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","A 1:1:1 chloroform/tetrahydrofuran solvate of <i>p</i>-<i>tert</i>-butyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","1","70","71","10.1107/S0108270100013329","","","0.71073","MoKα","","0.1356","0.0775","","","","0.213","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011726","12.373","0.002","31.939","0.002","11.064","0.002","90","","90","","90","","4372.3","1.1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H68 O11 -","- C43 H68 O11 -","- C172 H272 O44 -","4","1","NA1483","Allen, Paul; Brimble, Margaret A.; Turner, Peter","Polyether antibiotic CP44,161","Acta Crystallographica Section C","2001","57","1","95","96","10.1107/S0108270100013950","","","0.71069","MoKα","","0.1518","0.0387","","","","0.1258","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011727","7.677","0.002","7.915","0.003","20.408","0.005","90","","99.64","0.02","90","","1222.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(8-quinolyl)-2-pyridinecarboxamide","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","NA1484","Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian","<i>N</i>-(8-Quinolyl)pyridine-2-carboxamide","Acta Crystallographica Section C","2001","57","1","109","110","10.1107/S0108270100015158","","","0.71073","MoKα","","0.08","0.046","","","","0.122","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011728","13.5489","0.0013","7.4975","0.001","13.6783","0.0012","90","","110.309","0.008","90","","1303.1","0.3","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","NA1487","Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","Acta Crystallographica Section C","2001","57","1","113","114","10.1107/S0108270100015419","","","0.71069","MoKα","","0.068","0.034","","","","0.063","","","","","","0.83","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011729","9.56","0.002","10.806","0.002","12.462","0.002","91.96","0.03","96.21","0.03","92.37","0.03","1277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Cl N8 Sb -","- C32 H16 Cl N8 Sb -","- C64 H32 Cl2 N16 Sb2 -","2","1","NA1489","Janczak, Jan; Kubiak, Ryszard","[Phthalocyaninato(2‒)]antimony(III) chloride","Acta Crystallographica Section C","2001","57","1","55","57","10.1107/S0108270100015420","","","0.71073","MoKα","","0.1174","0.0498","","","","0.0605","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011730","33.622","0.007","10.562","0.002","7.067","0.001","90","","90","","90","","2509.6","0.8","293","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C88 H96 N48 O32 -","8","1","NA1491","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium phthalate","Acta Crystallographica Section C","2001","57","1","123","125","10.1107/S0108270100016607","","","0.71073","MoKα","","0.1267","0.0456","","","","0.1257","","","","","","1.005","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2011731","17.258","0.004","17.614","0.004","6.925","0.002","90","","90","","90","","2105.1","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Ba Cl2 O7 -","- C6 H6 Ba Cl2 O7 -","- C48 H48 Ba8 Cl16 O56 -","8","1","OA1107","Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji","A new polymorph of barium chloroanilate trihydrate","Acta Crystallographica Section C","2001","57","1","18","19","10.1107/S0108270100013639","","","0.71073","MoKα","","0.071","0.06","","0.067","","0.065","","","1.608","","","1.67","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2011732","7.3928","0.0018","14.1176","0.0011","15.7262","0.0016","92.439","0.008","96.573","0.014","104.249","0.011","1576.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis-[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate","","- C32 H28 Cl2 Cu N8 O4 -","- C32 H28 Cl2 Cu N8 O4 -","- C64 H56 Cl4 Cu2 N16 O8 -","2","1","OA1109","Choi, Ki-Young; Sung, Nack-Do; Yun, Ki-Seob; Park, Young-Soo; Kim, Jin-Gyu; Suh, Il-Hwan","Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]chlorocopper(II) perchlorate","Acta Crystallographica Section C","2001","57","1","47","48","10.1107/S0108270100015171","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011733","7.595","0.001","7.498","0.001","27.277","0.002","90","","95.332","0.007","90","","1546.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro -3H-pyrazol-3-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","OS1128","Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","4-{[(1<i>E</i>)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section C","2001","57","1","117","119","10.1107/S0108270100015535","","","1.5418","CuKα","","0.078","0.066","","","","0.18","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011734","7.5259","0.0015","14.25","0.003","14.565","0.003","111.79","0.03","90.72","0.03","90.92","0.03","1449.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)","","","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","1","0.5","SK1394","Stähler, Ralph; Näther, Christian; Bensch, Wolfgang","Tris{bis[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine-κ^3^<i>N</i>]nickel(II)} bis(tetrathioantimonate)","Acta Crystallographica Section C","2001","57","1","26","27","10.1107/S0108270100014359","","","0.71073","MoKα","","0.038","0.027","","","","0.071","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011735","12.7108","0.0008","7.4801","0.0006","14.2397","0.0009","90","","110.542","0.005","90","","1267.8","0.16","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ferrocenylthiophene carboxylic acid","2-(Ferrocenyl)thiophene-3-carboxylic acid","","- C15 H12 Fe O2 S -","- C15 H12 Fe O2 S -","- C60 H48 Fe4 O8 S4 -","4","1","SK1424","Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.","Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid","Acta Crystallographica Section C","2001","57","1","28","30","10.1107/S0108270100014360","","","0.71073","MoKα","","0.045","0.033","","","","0.082","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011736","18.169","0.004","9.801","0.002","12.726","0.003","90","","126.96","0.03","90","","1810.8","1","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","(-)-Argemonine hemihydrate","(6S,12S)-2,3,8,9-tetramethoxy-13-methyl-13- azadibenzo[b,f]bicyclo[3.3.1]nona-2,6-diene hemihydrate","","- C21 H26 N O4.5 -","- C21 H26 N O4.5 -","- C84 H104 N4 O18 -","4","1","SX1108","Nečas, Marek; Dostál, Jiří; Slavík, Jiří","(‒)-Argemonine hemihydrate","Acta Crystallographica Section C","2001","57","1","66","67","10.1107/S010827010001252X","","","0.71073","MoKα","","0.028","0.028","","","","0.077","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011737","10.5807","0.0015","5.65","0.002","12.093","0.003","90","0.03","113.83","0.01","90","0.02","661.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium oxalate","Glycinium oxalate","","- C4 H7 N O6 -","- C4 H7 N O6 -","- C16 H28 N4 O24 -","4","1","VJ1115","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","Glycinium oxalate","Acta Crystallographica Section C","2001","57","1","115","116","10.1107/S0108270100015456","","","1.5418","CuKα","","0.0362","0.0358","","","","0.1059","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011738","13.5437","0.0005","8.8923","0.0001","9.7121","0.0004","90","","103.593","0.002","90","","1136.91","0.06","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua(η^2^-allylammonium)bis(sulfamato-N)copper(I)","","- C3 H14 Cu N3 O7 S2 -","- C3 H14 Cu N3 O7 S2 -","- C12 H56 Cu4 N12 O28 S8 -","4","1","AV1052","Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E.","(η^2^-Allylammonium)aquabis(sulfamato-<i>N</i>)copper(I)","Acta Crystallographica Section C","2001","57","2","151","153","10.1107/S0108270100016218","","","1.54178","CuKα","","0.042","0.0417","","","","0.1167","","","","","","1.251","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011739","6.78","0.001","6.112","0.001","10.694","0.002","90","","107.25","0.01","90","","423.22","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,5-diaminotetrazole","1,5-diaminotetrazole","","- C H4 N6 -","- C H4 N6 -","- C4 H16 N24 -","4","1","AV1058","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.","1,5-Diamino-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","2","185","186","10.1107/S010827010001622X","","","0.71069","MoKα","","0.0459","0.0408","","","","0.1316","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011740","5.944","0.001","11.2","0.002","11.899","0.002","62.58","0.01","87.14","0.02","81.32","0.02","694.9","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Thiophenolate sodium tetramethylethylenediamine","","","- C12 H21 N2 Na S -","- C12 H21 N2 Na S -","- C24 H42 N4 Na2 S2 -","2","1","AV1063","Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark","Sodium thiophenolate <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine","Acta Crystallographica Section C","2001","57","2","154","155","10.1107/S0108270100016589","","","0.71073","MoKα","","0.0422","0.0345","","","","0.0939","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011741","8.505","0.003","9.541","0.003","6.827","0.002","90","","115.33","0.03","90","","500.7","0.3","145.2","","145.2","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Quinolizinium hexafluorophosphate","","- C9 H8 F6 N P -","- C9 H8 F6 N P -","- C18 H16 F12 N2 P2 -","2","0.25","BJ1008","Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki","Quinolizinium hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","174","175","10.1107/S0108270100015742","","","0.7107","MoKα","","0.028","0.025","","","","0.068","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011742","17.3138","0.0005","7.333","0.0001","16.8507","0.0005","90","","117.838","0.001","90","","1891.81","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2',4',6'-trihydroxy-1-methoxyacetophenone","","- C9 H12 O6 -","- C9 H12 O6 -","- C72 H96 O48 -","8","1","BJ1012","Ferreira, Ester S. B.; Hulme, Alison N.; McNab, Hamish; Parsons, Simon; Quye, Anita","2',4',6'-Trihydroxy-1-methoxyacetophenone monohydrate at 150K","Acta Crystallographica Section C","2001","57","2","211","212","10.1107/S0108270100018485","","","0.71073","MoKα","","0.0641","0.0405","","","","0.1091","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011743","10.698","0.005","8.939","0.004","23.026","0.011","90","","91.66","0.04","90","","2201","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H24 O3 P -","- C26 H24 O3 P -","- C104 H96 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.073","0.043","","","","0.094","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011744","14.815","0.004","16.226","0.005","17.67","0.005","90","","90","","90","","4248","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C24 H23 O3 P -","- C24 H23 O3 P -","- C192 H184 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.138","0.058","","","","0.124","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011745","14.932","0.007","16.343","0.006","17.78","0.007","90","","90","","90","","4339","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C25 H25 O3 P -","- C25 H25 O3 P -","- C200 H200 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.195","0.089","","","","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011746","9.668","0.006","13.975","0.008","16.625","0.011","90","","94.69","0.05","90","","2239","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","t-Butyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H27 O3 P -","- C26 H27 O3 P -","- C104 H108 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.059","0.04","","","","0.101","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011747","10.643","0.003","15.624","0.003","11.349","0.003","90","","110.5","0.012","90","","1767.7","0.8","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-aminopyridinium di(benzenesulfonyl)amidate","","- C17 H17 N3 O4 S2 -","- C17 H17 N3 O4 S2 -","- C68 H68 N12 O16 S8 -","4","2","BM1426","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate","Acta Crystallographica Section C","2001","57","2","167","169","10.1107/S010827010001427X","","","0.71073","MoKα","","0.045","0.04","","","","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011748","7.474","0.003","15.262","0.006","15.87","0.008","90","","90","","90","","1810.3","1.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nodosin","Nodosin","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","BM1432","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Nodosin","Acta Crystallographica Section C","2001","57","2","203","204","10.1107/S0108270100017406","","","0.71073","MoKα","","0.0885","0.047","","","","0.103","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011749","7.1139","0.0009","39.501","0.005","14.7094","0.0013","90","","96.636","0.009","90","","4105.7","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)","","- C13 H9 Cl N3 O3 V -","- C13 H9 Cl N3 O3 V -","- C156 H108 Cl12 N36 O36 V12 -","12","3","BM1436","Pal, Satyanarayan; Pal, Samudranil","[<i>N</i>-(4-Chlorobenzoyl)-<i>N</i>'-(picolinylidene)hydrazinato]dioxovanadium(V)","Acta Crystallographica Section C","2001","57","2","141","142","10.1107/S0108270100017418","","","0.71073","MoKα","","0.144","0.049","","","","0.126","","","","","","1.013","","","","has coordinates,has Fobs","184014","2020-10-21","18:00:00",""
"2011750","9.0793","0.0003","9.0793","0.0003","14.4862","0.0008","90","","90","","90","","1194.15","0.09","10","2","10","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cl5 Co Cs3 -","- Cl5 Co Cs3 -","- Cl20 Co4 Cs12 -","4","0.125","BR1294","Figgis, Brian N.; Sobolev, Alexandre N.","Cs~3~CoCl~5~ at 10K","Acta Crystallographica Section C","2001","57","2","139","140","10.1107/S0108270100017297","","","0.71073","MoKα","","0.0206","0.0206","","","","0.0448","","","","","","1.442","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011751","6.6185","0.0005","12.3948","0.0008","14.5069","0.001","90","","90.822","0.001","90","","1189.95","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","sipeimine","3β,20β-dihydroxy-6-one-5α-cevanine","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C54 H86 N2 O6 -","2","1","DE1149","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.","Sipeimine, a steroidal alkaloid from <i>Fritillaria</i> <i>roylei</i> Hooker","Acta Crystallographica Section C","2001","57","2","170","171","10.1107/S0108270100014499","","","0.71073","MoKα","","0.0613","0.0413","","","","0.1105","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011752","8.9889","0.001","4.977","0.002","16.79","0.004","90","","90.9","0.01","90","","751.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Bis(Methylglycyl)terephthalamide","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","DE1152","Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi","<i>N</i>,<i>N</i>'-Bis(methoxycarbonylmethyl)terephthalamide","Acta Crystallographica Section C","2001","57","2","172","173","10.1107/S0108270100014864","","","1.54178","CuKα","","0.075","0.069","","","","0.175","","","","","","1.491","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011753","6.33","0.005","9.007","0.007","12.25","0.01","84.427","0.009","85.113","0.009","79.425","0.009","681.7","0.9","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Di(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","","- C14 H8 N6 S2 -","- C14 H8 N6 S2 -","- C28 H16 N12 S4 -","2","1","DE1157","Richardson, Chris; Steel, Peter J.","4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","Acta Crystallographica Section C","2001","57","2","197","198","10.1107/S0108270100017431","","","0.71073","MoKα","","0.0566","0.0378","","","","0.0988","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011754","19.5061","0.0019","5.382","0.0005","20.976","0.002","90","","103.897","0.002","90","","2137.6","0.4","193","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diquinoxalino[2,3-a:2*,3*-c]phenazine chloroform","","- C25 H13 Cl3 N6 -","- C25 H13 Cl3 N6 -","- C100 H52 Cl12 N24 -","4","1","DE1159","Du, Miao; Bu, Xian-He; Biradha, Kumar","A large delocalized π-electron system: diquinoxalino[2,3-<i>a</i>:2',3'-<i>c</i>]phenazine chloroform solvate","Acta Crystallographica Section C","2001","57","2","199","200","10.1107/S0108270100017443","","","0.71073","MoKα","","","0.0465","","","","0.0927","","","","","","0.814","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011755","17.134","0.005","18.9575","0.0008","14.0859","0.0006","90","","111.159","0.003","90","","4266.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-aminopyrimidine-N^1^) tetrakis[μ-(4-nitrophenyl)acetato-O:O'] dicopper(II)","","- C40 H34 Cu2 N10 O16 -","- C40 H34 Cu2 N10 O16 -","- C160 H136 Cu8 N40 O64 -","4","1","DE1163","Lynch, Daniel E.; Duckhouse, Helen L.","Tetrakis[μ-(4-nitrophenyl)acetato-<i>O</i>:<i>O</i>']bis[(2-aminopyrimidine-<i>N</i>^1^)copper(II)]","Acta Crystallographica Section C","2001","57","2","158","159","10.1107/S0108270100017455","","","0.71073","MoKα","","0.1944","0.0661","","","","0.1485","","","","","","0.918","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011756","17.7211","0.0008","16.005","0.0007","18.5655","0.0009","90","","94.904","0.001","90","","5246.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 B F20 Ga2 N4 O -","- C52 H45 B F20 Ga2 N4 O -","- C208 H180 B4 F80 Ga8 N16 O4 -","4","1","FR1292","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","A cationic hydroxo-bridged dinuclear gallium complex","Acta Crystallographica Section C","2001","57","2","143","144","10.1107/S0108270100013962","","","0.71073","MoKα","","0.082","0.038","","","","0.0542","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011757","7.492","0.003","28.929","0.007","10.334","0.005","90","","90","","90","","2239.8","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)","","- C22 H20 Cl2 N4 Ni2 O3 -","- C22 H20 Cl2 N4 Ni2 O3 -","- C88 H80 Cl8 N16 Ni8 O12 -","4","0.5","FR1306","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann","A dinuclear pyrazolato-<i>N</i>:<i>N</i>'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol","Acta Crystallographica Section C","2001","57","2","149","150","10.1107/S0108270100015808","","","1.5418","CuKα","","0.154","0.043","","","","0.155","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011758","10.328","0.002","11.605","0.002","14.796","0.003","70","0.03","86.37","0.03","76.19","0.03","1617.9","0.7","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H36 N6 O8 -","- C33 H36 N6 O8 -","- C66 H72 N12 O16 -","2","2","GD1118","Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek","<i>N</i>-(<i>tert</i>-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline","Acta Crystallographica Section C","2001","57","2","205","207","10.1107/S0108270100017753","","","0.71073","MoKα","","0.0375","0.0319","","","","0.1053","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011759","30.594","0.006","10.285","0.002","7.474","0.001","90","","91.07","0.03","90","","2351.4","0.7","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione","","- C22 H25 N3 O12 -","- C22 H25 N3 O12 -","- C88 H100 N12 O48 -","4","1","GD1119","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E.","A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate","Acta Crystallographica Section C","2001","57","2","222","224","10.1107/S0108270100018163","","","0.71073","MoKα","","0.1426","0.0819","","","","0.226","","","","","","0.999","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011760","11.1419","0.0012","20.2089","0.0014","8.7321","0.0009","90","","110.644","0.004","90","","1839.9","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N'-Trimethylethylenediammonium Chloride","","- C10 H32 Cl4 N4 -","- C10 H32 Cl4 N4 -","- C40 H128 Cl16 N16 -","4","1","GD1121","Errington, William; Somasunderam, Usha; Willey, Gerald R.","<i>N</i>,<i>N</i>,<i>N</i>'-Trimethylethylenediammonium dichloride","Acta Crystallographica Section C","2001","57","2","190","191","10.1107/S0108270100016176","","","0.71073","MoKα","","0.1244","0.0508","","","","0.0962","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011761","12.106","0.003","13.187","0.003","15.819","0.004","90","","99.62","0.02","90","","2489.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-1,2-Diaza-3-phenylprop-2-enyl-tri(cyclohexyl)phosphonium chloride","","- C25 H40 Cl N2 P -","- C25 H40 Cl N2 P -","- C100 H160 Cl4 N8 P4 -","4","1","GD1122","Batsanov, Andrei S.; Howard, Judith A. K.; Snowden, David G.","[(2<i>E</i>)-2-Benzylidenehydrazino]tricyclohexylphosphonium chloride","Acta Crystallographica Section C","2001","57","2","195","196","10.1107/S0108270100016590","","","0.71073","MoKα","","0.0464","0.034","","","","0.0874","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011762","5.3288","0.0003","6.3696","0.0006","18.1263","0.0009","90","","95.811","0.004","90","","612.09","0.07","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-leucine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C18 H36 N4 O8 -","2","1","GG1024","Słowikowska, Joanna; Lipkowski, Janusz","<small>L</small>-Seryl-<small>L</small>-leucine","Acta Crystallographica Section C","2001","57","2","187","189","10.1107/S0108270100016164","","","1.54178","CuKα","","","0.029","","","","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011763","9.435","0.001","10.562","0.001","14.698","0.001","97.76","0.01","102.39","0.01","105.37","0.01","1350.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H27 B F6 Fe N4 O0.5 P -","- C27 H27 B F6 Fe N4 O0.5 P -","- C54 H54 B2 F12 Fe2 N8 O P2 -","2","1","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.128","0.08","","","","0.203","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011764","8.011","0.001","16.63","0.001","20.384","0.001","98.55","0.01","99.47","0.01","92.03","0.01","2643.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23.5 B F6 Fe N4.5 P -","- C26 H23.5 B F6 Fe N4.5 P -","- C104 H94 B4 F24 Fe4 N18 P4 -","4","2","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.153","0.076","","","","0.138","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011765","29.207","0.002","6.586","0.0004","7.4782","0.0004","90","","90","","90","","1438.49","0.15","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","","- C15 H21 N5 O2 -","- C15 H21 N5 O2 -","- C60 H84 N20 O8 -","4","0.5","GG1029","Low, John Nicolson; Marchal, Antonio; Nogueras, Manuel; Melguizo, Manuel; Sánchez, Adolfo","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","Acta Crystallographica Section C","2001","57","2","178","179","10.1107/S0108270100015754","","","0.71073","MoKα","","0.146","0.06","","","","0.181","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011766","10.16","0.0005","18.4257","0.001","22.643","0.0013","90","","109.808","0.005","90","","3988.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis[N^1^,N^2^-bis(trimethylsilyl)benzamidinato-κ^2^N^1^N^2^]-chloro- (4-tolylimido-κN)-vanadium(V)","","- C33 H53 Cl N5 Si4 V -","- C33 H53 Cl N5 Si4 V -","- C132 H212 Cl4 N20 Si16 V4 -","4","1","GG1031","Ellis, Dianne D.; Spek, Anthony L.","<i>cis</i>-Bis[<i>N</i>^1^,<i>N</i>^2^-bis(trimethylsilyl)benzamidinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]chloro(4-tolylimido-κ<i>N</i>)vanadium(V)","Acta Crystallographica Section C","2001","57","2","147","148","10.1107/S010827010001564X","","","0.71073","MoKα","","0.102","0.052","","","","0.108","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011767","5.7537","0.0004","5.7537","0.0004","48.108","0.004","90","","90","","120","","1379.25","0.18","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Al Br0.478 Ca2 Cl0.522 H10 O8 -","- Al Br0.478 Ca2 Cl0.522 H10.0002 O8 -","- Al6 Br2.868 Ca12 Cl3.132 H60.0012 O48 -","6","0.166667","IZ1005","Rapin, Jean-Philippe; François, Michel","The double-layered hydroxide 3CaO·Al~2~O~3~·0.5CaBr~2~·0.5CaCl~2~·10H~2~O","Acta Crystallographica Section C","2001","57","2","137","138","10.1107/S0108270100014025","","","0.71073","MoKα","","0.0585","0.0381","","","","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011768","6.6296","0.0001","16.3605","0.0002","14.6386","0.0002","90","","99.938","0.001","90","","1563.93","0.04","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trans-bis(aminopyridine)-bis(O,O'-diisopropyl dithiophosphato-S,S')nickel(II)","","- C22 H40 N4 Ni O4 P2 S4 -","- C22 H40 N4 Ni O4 P2 S4 -","- C44 H80 N8 Ni2 O8 P4 S8 -","2","0.5","LN1110","Hao, Qingli; Jian, Fangfang; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>trans</i>-Bis(2-aminopyridine-<i>N</i>)bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","2001","57","2","160","161","10.1107/S0108270100016073","","","0.71073","MoKα","","0.041","0.035","","","","0.087","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011769","12.346","0.002","5.567","0.001","22.578","0.006","90","","95.2","0.01","90","","1545.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide)","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamide) and <i>N</i>,<i>N</i>'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.104","0.053","","","","0.139","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011770","9.899","0.002","10.492","0.002","10.795","0.002","88.52","0.03","64.39","0.03","89.7","0.03","1010.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide)","","- C21.5 H24 N4 O2 -","- C21.5 H20 N4 O2 -","- C43 H40 N8 O4 -","2","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamide) and <i>N</i>,<i>N</i>'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.072","0.049","","","","0.173","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011771","8.447","0.0006","12.91","0.0012","12.985","0.0013","90","","105.27","0.006","90","","1366","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","","- C30 H28 Cl2 Fe N6 -","- C30 H28 Cl2 Fe N6 -","- C60 H56 Cl4 Fe2 N12 -","2","1","NA1490","Batten, Stuart R.; McKenzie, Christine J.; Preuss Nielsen, Lars","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Acta Crystallographica Section C","2001","57","2","156","157","10.1107/S010827010001684X","","","0.71073","MoKα","","0.1323","0.0796","","","","0.1558","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011772","17.4297","0.0008","17.4297","0.0008","4.1754","0.0003","90","","90","","90","","1268.46","0.12","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","","- C8 H16 Hg Mn N12 S8 -","- C8 H16 Hg Mn N12 S8 -","- C16 H32 Hg2 Mn2 N24 S16 -","2","0.25","SK1404","Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","Acta Crystallographica Section C","2001","57","2","145","146","10.1107/S0108270100015651","","","0.71073","MoKα","","0.035","0.033","","","","0.08","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011773","4.5541","0.0002","16.314","0.0008","17.5245","0.0009","90","","96.234","0.002","90","","1294.29","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[1H-Benzimidazolium]-Benzene Carbonic Acid dihydrate solvate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","SK1423","Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","4-(1<i>H</i>-Benzimidazol-3-ium-2-yl)benzoate dihydrate","Acta Crystallographica Section C","2001","57","2","176","177","10.1107/S0108270100015675","","","0.71073","MoKα","","0.06","0.045","","","","0.111","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011774","7.3772","0.0014","20.063","0.003","10.4576","0.0012","90","","90.513","0.012","90","","1547.8","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undecan-3,5- dien-4,5-dicarboxylate","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C64 H88 N8 O16 -","4","2","SK1429","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl (1<i>R</i>,8<i>R</i>)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undeca-3,5-diene-4,5-dicarboxylate, a chiral molecule with an approximate centrosymmetric crystal structure","Acta Crystallographica Section C","2001","57","2","208","210","10.1107/S0108270100017960","","","0.71073","MoKα","","0.0393","0.0359","","","","0.0959","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011775","7.8329","0.0015","7.99","0.002","12.369","0.003","79.766","0.017","81.257","0.019","69.646","0.008","710.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.244","0.071","","","","0.174","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011776","7.1422","0.0014","7.4564","0.0015","17.044","0.003","81.43","0.03","89.27","0.03","61.84","0.03","789.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dimethyl-2-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.115","0.057","","","","0.159","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011777","7.3814","0.0002","8.2085","0.0003","23.5355","0.0009","87.931","0.0013","89.888","0.0012","88.371","0.002","1424.51","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","4","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: three triclinic examples with <i>Z</i>' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.14","0.063","","","","0.191","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011778","11.7729","0.0007","5.5841","0.0004","24.549","0.003","90","","97.52","0.007","90","","1600","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","betaine-betainium hydrogen oxalate","N,N,N-trimethylglycine-N,N,N-trimethylglycinium-hydrogenoxalate","","- C12 H24 N2 O8 -","- C12 H24 N2 O8 -","- C48 H96 N8 O32 -","4","1","SK1441","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betaine betainium hydrogen oxalate","Acta Crystallographica Section C","2001","57","2","213","215","10.1107/S0108270100019193","","","0.71073","MoKα","","0.1157","0.0435","","","","0.1368","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011779","5.0038","0.0015","6.442","0.002","8.3179","0.0011","78.6","0.02","80.62","0.02","79.8","0.02","256.39","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","sarcosinium tartrate","sarcosinium tartrate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C7 H13 N O8 -","1","1","VJ1116","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium tartrate","Acta Crystallographica Section C","2001","57","2","165","166","10.1107/S0108270100012440","","","0.71073","Mokα","","0.025","0.025","","","","0.066","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011780","16.996","0.002","8.1356","0.0011","20.66","0.003","90","","90","","90","","2856.7","0.7","298","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","6,7-dicyano-2,3-di(2-pyridyl) pyrazine","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","VJ1118","Du, Miao; Bu, Xian-He; Liu, He; Leng, Xue-Bing","5,6-Bis(2-pyridyl)-2,3-pyrazinedicarbonitrile","Acta Crystallographica Section C","2001","57","2","201","202","10.1107/S0108270100017625","","","0.71073","MoKα","","","0.0367","","","","0.1013","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011781","7.6207","0.0004","9.5869","0.0005","10.6829","0.0005","71.115","0.003","84.066","0.003","67.921","0.002","684.16","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","acridine-trichlorogold(III)","(acridine-N)trichlorogold(III)","","- C13 H9 Au Cl3 N -","- C13 H9 Au Cl3 N -","- C26 H18 Au2 Cl6 N2 -","2","1","AV1055","Sloufova, Ivana; Slouf, Miroslav","(Acridine-<i>N</i>)trichlorogold(III)","Acta Crystallographica Section C","2001","57","3","248","249","10.1107/S0108270100018151","","","0.71073","MoKα","","0.028","0.025","","","","0.059","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011782","10.2144","0.0007","18.018","0.001","13.1304","0.0009","90","","90.177","0.001","90","","2416.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H86 N O5 P Sn3 -","- C39 H86 N O5 P Sn3 -","- C78 H172 N2 O10 P2 Sn6 -","2","1","AV1061","Khoo, Lian Ee; Hazell, Alan","Polymeric [μ~3~-(<i>N</i>-phosphonomethyl)glycinato]tris(tri-<i>n</i>-butyltin)","Acta Crystallographica Section C","2001","57","3","254","256","10.1107/S0108270100018898","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011783","8.141","0.002","13.7976","0.0016","21.852","0.002","90","","90","","90","","2454.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br2 O5 -","- C26 H26 Br2 O5 -","- C104 H104 Br8 O20 -","4","1","BJ1007","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Jin-Gyu; Suh, Il-Hwan","6,7-Bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonacosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section C","2001","57","3","293","294","10.1107/S0108270100018473","","","0.71073","MoKα","","0.1832","0.0641","","","","0.1232","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011784","10.4971","0.0001","15.5281","0.0002","16.393","0.0002","90","","101.51","0.01","90","","2618.32","0.11","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II)","","- C26 H24 N2 O6 P2 Pt -","- C26 H24 N2 O6 P2 Pt -","- C104 H96 N8 O24 P8 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.058","0.039","","","","0.069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011785","12.9843","0.0002","16.3998","0.0002","22.6979","0.0003","90","","92.81","0.01","90","","4827.48","0.12","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-[Bis(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate","","- C50 H48 N2 O10 P4 Pt -","- C50 H48 N2 O10 P4 Pt -","- C200 H192 N8 O40 P16 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.049","0.031","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011786","9.2351","0.0007","11.607","0.001","13.807","0.001","77.891","0.001","81.46","0.01","69.14","0.01","1347.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(tetraphenylphosphonium) dioxobis(pyridine-2,6-dicarbothioate-O,N,O')uranium(VI)","","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","1","0.5","BK1565","Neu, Mary P.; Johnson, Mitchell T.; Matonic, John H.; Scott, Brian L.","Actinide interactions with microbial chelators: the dioxobis[pyridine-2,6-bis(monothiocarboxylato)]uranium(VI) ion","Acta Crystallographica Section C","2001","57","3","240","242","10.1107/S0108270100017285","","","0.71073","MoKα","","0.032","0.03","","","","0.073","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011787","11.7469","0.0001","18.2581","0.0002","14.5558","0.0001","90","","101.352","0.001","90","","3060.8","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B9 Br Mn N O3 -","- C19 H44.29 B9 Br Mn N O3 -","- C76 H177.16 B36 Br4 Mn4 N4 O12 -","4","1","BK1569","Kennedy, Alan R.; Morris, John H.","A <i>nido</i>-6-manganadecaborane salt","Acta Crystallographica Section C","2001","57","3","269","270","10.1107/S0108270100019843","","","0.71073","MoKα","","0.0742","0.0488","","","","0.1431","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011788","11.0346","0.0005","8.8957","0.0004","11.4161","0.0005","90","","103.946","0.001","90","","1087.58","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(ethanolamine)bis(saccharinato)copper(II)","","- C18 H22 Cu N4 O8 S2 -","- C18 H22 Cu N4 O8 S2 -","- C36 H44 Cu2 N8 O16 S4 -","2","0.5","BM1435","Yilmaz, Veysel T.; Andac, Omer; Topcu, Yildiray; Harrison, William T. A.","<i>trans</i>-Bis(ethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)copper(II)","Acta Crystallographica Section C","2001","57","3","271","272","10.1107/S0108270100019867","","","0.71073","MoKα","","0.043","0.033","","","","0.099","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011789","7.4692","0.0005","8.7343","0.0007","8.909","0.0007","68.104","0.004","77.038","0.004","67.31","0.004","495.34","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-4-(dibromomethyl)methoxybenzene","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C18 H20 Br4 O2 -","2","1","BM1445","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","1-(Dibromomethyl)-4-methoxy-2-methylbenzene","Acta Crystallographica Section C","2001","57","3","317","318","10.1107/S0108270100019375","","","0.71073","MoKα","","0.0676","0.0452","","","","0.109","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011790","26.12","0.005","18.473","0.004","10.379","0.003","90","","90","","90","","5008","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C.I. Solvent Yellow 4","4-(phenyldiazenyl)naphthalen-1-amine","","- C16 H13 N3 -","- C16 H13 N3 -","- C256 H208 N48 -","16","2","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","0.71073","MoKα","","0.105","0.053","","","","0.118","","","","","","1.282","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011791","7.426","0.003","13.305","0.004","14.027","0.004","90","","95.32","0.02","90","","1379.9","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[4-(phenyldiazenyl)naphthalen-1-yl]ammonium chloride","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","1.5418","CuKα","","","","","","","","","","1.6","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011792","23.534","0.0005","23.534","0.0005","23.534","0.0005","90","","90","","90","","13034.3","0.5","293","1","293","1","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Ti -","- O7 P2 Ti -","- O756 P216 Ti108 -","108","4.5","BR1307","Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen","A TiP~2~O~7~ superstructure","Acta Crystallographica Section C","2001","57","3","225","227","10.1107/S0108270100018709","","","0.8522","synchrotronx-rayverticalwiggler","","0.048","0.046","","0.059","","0.059","","","2.779","","","2.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011793","5.164","0.0006","5.4013","0.0007","9.2982","0.0011","90","","96.596","0.002","90","","257.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium tin hydroxide","Dilithium tin(VI) hexahydroxide","","- H6 Li2 O6 Sn -","- H6 Li2 O6 Sn -","- H12 Li4 O12 Sn2 -","2","0.5","BR1309","Yang, Shoufeng; Zavalij, Peter Y.; Whittingham, M. Stanley","Li~2~Sn(OH)~6~","Acta Crystallographica Section C","2001","57","3","228","229","10.1107/S0108270100018710","","","0.71073","MoKα","","0.019","0.017","","","","0.041","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011794","6.337","0.001","8.028","0.001","12.169","0.002","80.53","0.01","84.12","0.01","85.4","0.01","606.16","0.16","183","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H23 N O4 -","- C10 H23 N O4 -","- C20 H46 N2 O8 -","2","1","DE1162","Wiebcke, Michael; Felsche, Jürgen","Benzyltrimethylammonium hydroxide trihydrate containing hydroxide‒water layers","Acta Crystallographica Section C","2001","57","3","306","308","10.1107/S0108270100019363","","","0.71073","MoKα","","","0.0553","","","","0.1613","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011795","7.334","0.004","10.791","0.006","11.543","0.007","69.7","0.02","75.01","0.02","86.653","0.015","827.1","0.8","156","","156","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(1,2-Ethynediyl)bis-2(1H)-pyridinone (I) and 6,6'-(1,2-Ethynediyl)bis-2(1H)-pyridinone","","- C12.66667 H10.66667 N2 O2.66667 -","- C12.6667 H10.6667 N2 O2.66667 -","- C38 H32 N6 O8 -","3","1.5","FR1297","Maverick, Emily F.; Wash, Paul L.; Lightner, David A.","A hydrogen-bonded `trimer' of two symmetric dipyridones","Acta Crystallographica Section C","2001","57","3","284","285","10.1107/S0108270100015523","","","0.7107","MoKα","","0.134","0.051","","","","0.176","","","","","","1.079","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2011796","14.178","0.003","6.3433","0.0006","19.227","0.003","90","","101.538","0.015","90","","1694.2","0.5","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 S5 -","- C17 H12 S5 -","- C68 H48 S20 -","4","1","FR1309","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5-Benzyl-5-phenyl[1,3]dithiolo[4,5-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","3","319","320","10.1107/S0108270100019764","","","1.5418","CuKα","","","0.047","","","","0.054","","","","","","0.95","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011797","6.2645","0.0007","5.444","0.0012","26.17","0.003","90","","91.339","0.011","90","","892.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-tetralone-3-carboxylic acid","(±)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.076","0.045","","","","0.106","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011798","8.0008","0.001","10.579","0.002","12.6789","0.0013","90","","105.616","0.008","90","","1033.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-1-tetralone-2-acetic acid","(±)-1-oxo-1,2,3,4-tetrahydronaphthalene-2-acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.069","0.043","","","","0.109","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011799","16.807","0.002","9.3006","0.0016","13.7677","0.001","90","","106.682","0.01","90","","2061.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","doxylamine tetrachlorocuprate(II)","{2-[1-dimethylammonioethoxy)-1-phenylethyl]pyridinium} tetrachlorocuprate(II)","","- C17 H24 Cl4 Cu N2 O -","- C17 H24 Cl4 Cu N2 O -","- C68 H96 Cl16 Cu4 N8 O4 -","4","1","FR1314","Braitenbach, Kristin; Parvez, Masood","Doxylaminium tetrachlorocuprate(II)","Acta Crystallographica Section C","2001","57","3","262","263","10.1107/S010827010001917X","","","0.71069","MoKα","","0.117","0.044","","","","0.128","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011800","10.755","0.0005","13.523","0.0003","26.764","0.001","90","","87.356","0.002","90","","3888.4","0.2","190","","190","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","(4'-Chloro-2,2':6',2''-terpyridine-N,N',N'')(diethylphopshinothioato-S)platinu m(II) tetraphenylborate","","- C43 H40 B Cl N3 O3 P Pt S -","- C43 H40 B Cl N3 O3 P Pt S -","- C172 H160 B4 Cl4 N12 O12 P4 Pt4 S4 -","4","1","GD1116","Ross, Steven A.; Lowe, Gordon; Watkin, David J.","(4'-Chloro-2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')(diethylphosphinothioato-<i>S</i>)platinum(II) tetraphenylborate","Acta Crystallographica Section C","2001","57","3","275","276","10.1107/S0108270100020023","","","0.71069","MoKα","","","0.03","","","","0.037","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011801","5.886","0.002","8.402","0.003","8.923","0.003","116.8","0.03","104.04","0.03","92.53","0.03","376.1","0.3","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","GD1117","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Nitroindoline","Acta Crystallographica Section C","2001","57","3","304","305","10.1107/S0108270100019144","","","0.71073","MoKα","","0.0487","0.0368","","","","0.1098","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011802","13.0265","0.0007","7.0672","0.0003","6.3376","0.0002","90","","96.432","0.004","90","","579.77","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-2,3-O-(S)-benzylidene-β-D-mannopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.029","0.029","","0.032","","0.032","","","1.001","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011803","11.9752","0.0005","5.7487","0.0002","18.0759","0.0014","90","","100.295","0.006","90","","1224.34","0.12","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,6-anhydro-4-O-benzyl-β-D-mannopyranose","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.032","0.032","","0.04","","0.04","","","1.08","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011804","9.0956","0.0003","5.8461","0.0002","11.0603","0.0005","90","","102.871","0.004","90","","573.34","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-3,4-O-(S)-benzylidene-β-D-galactopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.034","0.034","","0.043","","0.043","","","1.046","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011805","20.8676","0.0017","7.0151","0.0007","9.1087","0.0008","90","","92.843","0.005","90","","1331.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dihydroxy-1,4-benzoquinone‒4,4'-bipyridine (1/1)","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","0.5","GD1125","Cowan, John A.; Howard, J. A. K.; Leech, M. A.","The 1:1 adduct of 2,5-dihydroxy-1,4-benzoquinone with 4,4'-bipyridine","Acta Crystallographica Section C","2001","57","3","302","303","10.1107/S0108270100019077","","","0.71073","MoKα","","0.049","0.041","","","","0.113","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011806","21.484","0.003","9.4624","0.0008","7.3293","0.0007","90","","90","","90","","1490","0.3","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Sodium hydrogenbis(phenoxyacetate)","","- C16 H15 Na O6 -","- C16 H15 Na O6 -","- C64 H60 Na4 O24 -","4","0.5","GD1129","Evans, James; Kapitan, Anoop; Rosair, Georgina; Roberts, Kevin J; White, Graeme","Sodium hydrogen bis(phenoxyacetate)","Acta Crystallographica Section C","2001","57","3","250","251","10.1107/S0108270100018175","","","0.71073","MoKα","","0.058","0.0389","","","","0.1088","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011807","11.8073","0.0013","10.0751","0.0012","21.453","0.003","90","","116.024","0.008","90","","2293.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 Pd -","- C26 H26 N4 Pd -","- C104 H104 N16 Pd4 -","4","1","GG1030","Ellis, Dianne D.; Spek, Anthony L.","[η^2^-(<i>E</i>)-But-2-enedinitrile](<i>N</i>,<i>N</i>'-diphenyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine-<i>N</i>,<i>N</i>')palladium(0)","Acta Crystallographica Section C","2001","57","3","235","236","10.1107/S0108270100016401","","","0.71073","MoKα","","0.051","0.042","","","","0.086","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011808","9.995","0.002","10.462","0.002","10.569","0.002","95.13","0.02","92.48","0.02","105.23","0.02","1059.5","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu F2 N2 O2 -","- C26 H18 Cu F2 N2 O2 -","- C52 H36 Cu2 F4 N4 O4 -","2","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.054","0.04","","","","0.115","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011809","10.752","0.001","7.893","0.001","27.391","0.003","90","","90","","90","","2324.6","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 Cu F2 N2 O2 -","- C28 H22 Cu F2 N2 O2 -","- C112 H88 Cu4 F8 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.069","0.043","","","","0.121","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011810","14.607","0.002","7.423","0.001","27.109","0.002","90","","98.07","0.01","90","","2910.3","0.6","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Cu F12 N2 O2 -","- C30 H16 Cu F12 N2 O2 -","- C120 H64 Cu4 F48 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.058","0.039","","","","0.096","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011811","14.768","0.001","10.663","0.001","8.32","0.001","90","","95.87","0.01","90","","1303.3","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cu F6 N2 O4 -","- C28 H18 Cu F6 N2 O4 -","- C56 H36 Cu2 F12 N4 O8 -","2","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.078","0.049","","","","0.14","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011812","27.392","0.003","10.048","0.002","9.654","0.001","90","","94.84","0.01","90","","2647.6","0.7","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F6 N2 O5 V -","- C28 H18 F6 N2 O5 V -","- C112 H72 F24 N8 O20 V4 -","4","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.061","0.042","","","","0.108","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011813","8.663","0.002","8.956","0.002","13.293","0.003","73.029","0.003","83.852","0.004","61.662","0.003","867.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C32 H32 N6 O14 V2 -","2","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneaminato-<i>N</i>,<i>O</i>)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.033","","","","0.042","","","","","","1.327","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011814","16.413","0.002","8.1634","0.0008","25.628","0.003","90","","96.619","0.002","90","","3410.9","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C128 H128 N24 O56 V8 -","8","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneaminato-<i>N</i>,<i>O</i>)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.05","","","","0.047","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011815","14.4773","0.0018","14.4773","0.0018","14.4773","0.0018","90","","90","","90","","3034.3","0.7","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Tris(tert-butyl)phosphine selenide","","- C12 H27 P Se -","- C12 H27 P Se -","- C96 H216 P8 Se8 -","8","0.333333","JZ1439","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)","Acta Crystallographica Section C","2001","57","3","323","324","10.1107/S010827010002000X","","","0.71073","MoKα","","0.023","0.018","","","","0.046","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011816","7.3003","0.0004","6.8114","0.0004","15.6135","0.0011","90","","90","","90","","776.39","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 Cu N2 O4 -","- C8 H4 Cu N2 O4 -","- C32 H16 Cu4 N8 O16 -","4","0.5","LN1113","Näther, Christian; Jeß, Inke","Poly[copper(II)-μ-pyrazine-μ~3~-squarato]","Acta Crystallographica Section C","2001","57","3","260","261","10.1107/S0108270100018722","","","0.71073","MoKα","","0.0397","0.0356","","","","0.099","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011817","11.794","0.002","20.179","0.004","17.843","0.004","90","","107.78","0.03","90","","4043.6","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octakis(4-isopropylpyridine-N)-di-μ~4~-oxo-hexa-μ~3~-oxo-octa-μ~2~-oxo- decaoxooctamolybdenum(V)dimolybdenum(VI)","","- C64 H88 Mo10 N8 O26 -","- C64 H88 Mo10 N8 O26 -","- C128 H176 Mo20 N16 O52 -","2","0.5","NA1493","Modec, Barbara; Brenčič, Jurij V.; Giester, Gerald","A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine","Acta Crystallographica Section C","2001","57","3","246","247","10.1107/S0108270100017303","","","0.71073","MoKα","","0.058","0.041","","0.092","0.086","","","","1.069","1.121","1.121","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011818","10.56","0.1","32.98","0.15","11.64","0.08","90","","92.8","0.7","90","","4049","5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tetrahydrofuran-κO)(meso-5,10,15,20-tetraisopropylporphyrinato-κ^4^N) iron(III)] perchlorate","","- C40 H52 Cl Fe N4 O6 -","- C40 H52 Cl Fe N4 O6 -","- C160 H208 Cl4 Fe4 N16 O24 -","4","1","OA1111","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","Bis(tetrahydrofuran-κ<i>O</i>)(<i>meso</i>-5,10,15,20-tetraisopropylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate","Acta Crystallographica Section C","2001","57","3","233","234","10.1107/S0108270100015833","","","0.71069","MoKα","","0.168","0.063","","","","0.215","","","","","","0.911","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011819","16.0884","0.0004","23.1083","0.0005","25.8233","0.0006","90","","104.09","0.001","90","","9311.6","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{K(18-crown-6-ether)(H~2~O)}~2~{K(18-crown-6-ether)(H~2~O)~2~}] [Rh~2~(O~2~CC~6~H~5~)~4~Fe(CN)~6~]8H~2~O (18-crown-6-ether = 1,4,7,10,13,16-hexaoxacyclooctadecane)","","- C70 H116 Fe K3 N6 O38 Rh2 -","- C70 H116 Fe K3 N6 O38 Rh2 -","- C280 H464 Fe4 K12 N24 O152 Rh8 -","4","1","OA1112","Kim, Youngmee; Kim, Sung-Jin; Nam, Wonwoo","A ferric-cyanide-bridged one-dimensional dirhodium complex with (18-crown-6)potassium cations","Acta Crystallographica Section C","2001","57","3","266","268","10.1107/S0108270100019776","","","0.71073","MoKα","","0.0959","0.0525","","","","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011820","6.1387","0.0003","6.1387","0.0003","11.4071","0.0009","90","","90","","120","","372.27","0.04","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Yttrium manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0506","0.0372","","","","0.1065","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011821","6.1277","0.0005","6.1277","0.0005","11.411","0.001","90","","90","","120","","371.06","0.05","180","","180","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Ytrrium Manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0484","0.0372","","","","0.1085","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011822","8.026","0.002","12.359","0.003","14.056","0.003","90","","96.63","0.02","90","","1384.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O9 -","- C29 H29 N O9 -","- C58 H58 N2 O18 -","2","1","SK1434","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian","Methyl 2,3,6-tri-<i>O</i>-benzoyl-4-deoxy-4-methoxyamino-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2001","57","3","309","310","10.1107/S0108270100019387","","","0.7107","MoKα","","0.068","0.068","","0.04","","0.04","","","1.896","","","1.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011823","12.1752","0.0002","22.2029","0.0001","19.8479","0.0004","90","","117.168","0.001","90","","4773.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tripyridine","","- C49 H47 N11 O4 S2 -","- C49 H47 N11 O4 S2 -","- C196 H188 N44 O16 S8 -","4","1","SK1435","Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Karalai, Chatchanok; Zhang, Hao; Xie, Fu-Xin; Tian, Yu-Peng; Ma, Wen; Zhang, Yin-Han; Ni, Shi-Sheng","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tris(pyridine) solvate","Acta Crystallographica Section C","2001","57","3","289","290","10.1107/S0108270100017972","","","0.71073","MoKα","","0.135","0.068","","","","0.166","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011824","13.8921","0.0009","15.339","0.0006","14.0209","0.0008","90","","95.666","0.002","90","","2973.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒ 1,3,5-benzenetricarboxylic acid‒methanol‒water (1/1/0.78/1.12)","","- C25.78 H47.36 N4 O7.9 -","- C25.784 H44.8 N4 O7.9 -","- C103.136 H179.2 N16 O31.6 -","4","1","SK1438","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid","Acta Crystallographica Section C","2001","57","3","311","314","10.1107/S0108270100019399","","","0.71073","MoKα","","0.138","0.077","","","","0.212","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011825","8.8444","0.0003","9.7581","0.0002","11.922","0.0003","112.009","0.001","94.99","0.001","99.585","0.001","927.98","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(dicyclohexylammonium 3-thienylacetate)","","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","1","0.5","SK1439","Ng, Seik Weng; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Bis(dicyclohexylammonium 3-thienylacetate)","Acta Crystallographica Section C","2001","57","3","291","292","10.1107/S0108270100019326","","","0.71073","MoKα","","0.0831","0.0602","","","","0.1622","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011826","7.764","0.003","7.881","0.0015","13.047","0.0015","79.507","0.006","78.79","0.011","63.308","0.011","695.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)","","- C10 H14 Cl2 O4 Ti -","- C10 H14 Cl2 O4 Ti -","- C20 H28 Cl4 O8 Ti2 -","2","1","SK1440","Ferguson, George; Glidewell, Christopher; .","Enantiomeric disorder in racemic <i>cis</i>-dichlorobis(pentane-2,4-dionato)titanium(IV)","Acta Crystallographica Section C","2001","57","3","264","265","10.1107/S0108270100019181","","","0.71073","MoKα","","0.1571","0.0529","","","","0.1709","","","","","","0.942","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011827","7.6113","0.0005","11.6304","0.0007","8.2286","0.0005","90","","94.05","0.002","90","","726.6","0.08","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","2-Methyl-4-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","SK1442","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in <i>C</i>-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline","Acta Crystallographica Section C","2001","57","3","315","316","10.1107/S0108270100019405","","","0.71073","MoKα","","0.056","0.043","","","","0.113","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011828","11.224","0.001","13.65","0.001","14.11","0.001","75.27","0.002","73.07","0.002","76.27","0.002","1968.7","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","2","SX1110","Moreno-Fuquen, Rodolfo; Abonia, Rodrigo; Valderrama-Naranjo, Jaime; Albornoz, Andrea; Mariezcurrena, Raul","5,12-Dimethyl-3,10-diphenyl-1,3,4,8,10,11-hexaazatetracyclo[6.6.1.0^2,6^.0^9,13^]pentadeca-2(6),4,9(13),11-tetraene, a new Tröger's base analogue","Acta Crystallographica Section C","2001","57","3","281","283","10.1107/S0108270100012531","","","0.71069","MoKα","","0.098","0.043","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011829","9.9411","0.0016","18.0364","0.0014","7.3758","0.0018","90","","90","","90","","1322.5","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maílione","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.115","0.044","","","","0.128","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011830","11.872","0.005","11.897","0.004","21.575","0.004","90","","90","","90","","3047.3","1.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","isorigidol","","","- C15 H23 Br O2 -","- C15 H23 Br O2 -","- C120 H184 Br8 O16 -","8","2","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.117","0.034","","","","0.094","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011831","10.4243","0.0014","20.3334","0.0018","8.3832","0.0011","90","","85.639","0.013","90","","1771.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O8 Zn3 -","- C38 H38 N4 O8 Zn3 -","- C76 H76 N8 O16 Zn6 -","2","0.5","TA1298","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Aksu, Mecit","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]zinc(II)}zinc(II)","Acta Crystallographica Section C","2001","57","3","273","274","10.1107/S0108270100019983","","","0.71073","MoKα","","","0.045","","","","0.056","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011833","6.6009","0.0011","10.9678","0.0017","20.278","0.005","90","","92.704","0.016","90","","1466.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","","- C36 H20 N4 S4 Zn -","- C36 H8 N4 S4.002 Zn -","- C72 H16 N8 S8.004 Zn2 -","2","0.5","VJ1107","Purushothaman, Bhavana; Varghese, Babu; Bhyrappa, Puttaiah","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","Acta Crystallographica Section C","2001","57","3","252","253","10.1107/S0108270100018552","","","0.71073","MoKα","","0.055","0.04","","","","0.121","","","","","","1.151","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011834","11.3887","0.001","22.0576","0.0019","11.7301","0.001","90","","113.33","0.001","90","","2705.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tolyl-p-sulfonyl)-3-aza-1,5-bis(tolyl-p-sulfonyloxy)pentane","","- C25 H29 N O8 S3 -","- C25 H29 N O8 S3 -","- C100 H116 N4 O32 S12 -","4","1","VJ1127","Yoon, Il; Park, Ki-Min; Lee, Shim Sung","Tritosylate of diethanolamine","Acta Crystallographica Section C","2001","57","3","321","322","10.1107/S0108270100019788","","","0.71073","MoKα","","0.1019","0.0465","","","","0.1358","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011835","13.249","0.004","10.086","0.009","16.695","0.005","90","","101.99","0.02","90","","2182","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 N2 Ni O2 -","- C21 H21 Cl3 N2 Ni O2 -","- C84 H84 Cl12 N8 Ni4 O8 -","4","1","AV1056","de Castro, B.; Freire, C.; Duarte, M. Teresa; Minas da Piedade, M.F.; Santos, I.C.","<i>trans</i>-[<i>N</i>,<i>N</i>'-Bis(salicylidene)cyclohexane-1,2-diaminato]nickel(II)‒chloroform (1/1)","Acta Crystallographica Section C","2001","57","4","370","372","10.1107/S0108270100020849","","","0.71069","MoKα","","0.066","0.0501","","","","0.156","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011836","7.573","0.001","17.75","0.001","8.277","0.001","90","","93.53","0.01","90","","1110.5","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","AV1060","Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol","4-Methylcarbazole-3-carboxylic acid","Acta Crystallographica Section C","2001","57","4","414","416","10.1107/S0108270100020199","","","1.5418","CuKα","","","0.061","","","","0.071","","","","","","0.87","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011837","13.4239","0.0011","7.2198","0.0005","25.441","0.003","90","","90","","90","","2465.7","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Phenylfuro[3,2-c]chromen-4-one","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","AV1062","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","3-Phenyl-4<i>H</i>-furo[3,2-<i>c</i>]chromen-4-one","Acta Crystallographica Section C","2001","57","4","493","494","10.1107/S0108270101001433","","","0.71073","MoKα","","0.111","0.052","","","","0.123","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011838","9.3261","0.0003","32.34003","0.00014","7.5005","0.0003","90","","90.595","0.002","90","","2262.08","0.12","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-heptylammonium dihydrogenarsenate","","- C7 H20 As N O4 -","- C7 H20 As N O4 -","- C56 H160 As8 N8 O32 -","8","2","AV1066","Fábry, Jan; Krupková, Radmila; Císařová, Ivana","Ferroelastic <i>n</i>-heptylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","4","403","405","10.1107/S0108270100020850","","","0.71073","MoKα","","0.0916","0.0435","","0.0532","","0.0532","","","1.46","1.92","1.92","1.46","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011839","11.1331","0.0005","11.8704","0.0006","18.8044","0.0007","92.239","0.003","101.526","0.003","91.353","0.003","2431.86","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H108 Cl8 Gd2 N12 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","1","0.5","AV1069","Pons y Moll, Olivier; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","An ion pair uniting a gadolinium(III)‒Schiff base complex and uranyl tetrachloride","Acta Crystallographica Section C","2001","57","4","392","393","10.1107/S0108270101001445","","","0.71073","MoKα","","0.055","0.038","","","","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011840","6.2806","0.0016","13.5616","0.0013","9.6165","0.001","90","","107.488","0.011","90","","781.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricine","N-[tris(hydroxymethyl)methyl]glycine or N-(2-hydroxy-1,1-bis[hydroxymethyl]ethyl)glycine","","- C6 H13 N O5 -","- C6 H13 N O5 -","- C24 H52 N4 O20 -","4","1","BJ1011","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","<i>N</i>-[Tris(hydroxymethyl)methyl]glycine (tricine)","Acta Crystallographica Section C","2001","57","4","421","422","10.1107/S0108270100020266","","","0.71073","MoKα","","0.039","0.03","","","","0.089","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011841","7.522","0.002","13.856","0.003","15.544","0.003","90","","94.75","0.03","90","","1614.5","0.6","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0327","0.0244","","","","0.0645","","","","","","1.097","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011842","7.426","0.002","13.836","0.003","15.403","0.003","90","","95.27","0.03","90","","1575.9","0.6","92","0.5","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0212","0.0192","","","","0.0477","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011843","12.596","0.008","7.157","0.002","16.498","0.003","90","","95.53","0.03","90","","1480.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-(2,4,8,10-tetrathiaspiro[5.5]undecane-3,9-diylidene)bis(propanedinitrile)","","- C13 H8 N4 S4 -","- C13 H8 N4 S4 -","- C52 H32 N16 S16 -","4","0.5","BJ1015","Zhou, Zheng-Rong; Xu, Wei; Xia, Yi; Wang, Quan-Rui; Ding, Zong-Biao; Chen, Min-Qin; Hua, Zhong-Yi; Tao, Feng-Gang","3,9-Bis(dicyanomethylene)-2,4,8,10-tetrathiaspiro[5.5]undecane","Acta Crystallographica Section C","2001","57","4","471","472","10.1107/S0108270101000543","","","0.71073","MoKα","","0.103","0.057","","","","0.177","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011844","25.4244","0.0005","5.056","0.0001","18.9045","0.0004","90","","126.327","0.001","90","","1957.8","0.07","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[{(1,2-η)-benzene}silver(I)]-μ-trifluoromethanesulfonate-O;O';O'':O'']","","- C7 H6 Ag F3 O3 S -","- C7 H6 Ag F3 O3 S -","- C56 H48 Ag8 F24 O24 S8 -","8","1","BJ1018","Wadepohl, Hubert; Pritzkow, Hans","Poly[[[(1,2-η)-benzene]silver(I)]-μ-trifluoromethanesulfonate-<i>O</i>;<i>O</i>';<i>O</i>'':<i>O</i>'']","Acta Crystallographica Section C","2001","57","4","383","384","10.1107/S0108270101000610","","","0.71073","MoKα","","0.025","0.023","","","","0.06","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011845","9.8818","0.0017","27.375","0.006","9.811","0.0012","90","","90","","90","","2654","0.8","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(1-Acetoxyethylidene)fluorene","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BJ1021","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","4","428","430","10.1107/S0108270100020539","","","0.71069","MoKα","","0.143","0.041","","","","0.115","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011846","9.319","0.0005","7.7083","0.0007","16.816","0.0014","90","","102.422","0.004","90","","1179.68","0.16","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","pteropodine","(1'S,3R,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8',10',10'a-octahydro-1'- methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4- f]indolizine]-4'-carboxylic acid methyl ester, chloroform solvate","","- C22 H25 Cl3 N2 O4 -","- C22 H25 Cl3 N2 O4 -","- C44 H50 Cl6 N4 O8 -","2","1","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.095","0.059","","","","0.16","","","","","","0.98","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011847","10.9943","0.0008","21.062","0.003","12.3039","0.0015","90","","96.86","0.006","90","","2828.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","isopteropodine","(1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C126 H144 N12 O24 -","6","3","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.123","0.052","","","","0.108","","","","","","0.894","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011848","8.22","0.003","9.365","0.003","17.89","0.003","90","","90","","90","","1377.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F N2 O3 -","- C12 H14 Br F N2 O3 -","- C48 H56 Br4 F4 N8 O12 -","4","1","BK1579","Belin, Renaud; Tillard, Monique; Maurel, Jean-Louis; Ribet, Jean-Paul","Absolute configuration of (+)-(<i>S</i>)-2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","2001","57","4","483","484","10.1107/S0108270101000981","","","0.71069","MoKα","","0.0881","0.0385","","","","0.096","","","","","","0.968","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011849","9.273","0.003","9.333","0.003","10.372","0.004","94.16","0.02","112.17","0.02","93.09","0.02","825.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Boc-Aib-Obzl","tert butyloxycarbonyl-α-aminoisobutyrate","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","BK1584","Leduc, Anne-Marie; Mashuta, Mark S.; Spatola, Arno F.","Benzyl <i>tert</i>-butoxycarbonyl-α-aminoisobutyrate","Acta Crystallographica Section C","2001","57","4","487","488","10.1107/S010827010100110X","","","0.71073","MoKα","","0.06","0.0481","","","","0.1159","","","","","","1.011","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011850","7.4252","0.0008","9.4231","0.0007","9.4957","0.0009","64.253","0.002","74.117","0.002","88.504","0.002","572.28","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","1","0.5","BM1430","Cui, Yong; Chen, Jiutong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai","Bis(2,2-bipyridine-<i>N</i>,<i>N</i>')tetra-μ-chloro-tetracopper(I)","Acta Crystallographica Section C","2001","57","4","349","351","10.1107/S0108270100019855","","","0.71073","MoKα","","0.0711","0.0551","","","","0.1621","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011851","9.764","0.003","11.006","0.002","19.78","0.003","97.56","0.02","102.29","0.02","101.73","0.02","1999.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3',4'-Di-(p-chlorophenyl)-spiroisoxazoline-[5'.3]-4-chromanone","","- C23 H15 Cl2 N O3 -","- C23 H15 Cl2 N O3 -","- C92 H60 Cl8 N4 O12 -","4","2","BM1437","Abdul Ajees, A.; Parthasarathy, S.; Manikandan, S.; Raghunathan, R.","3',4'-Bis(4-chlorophenyl)spiro[chroman-3,5'(4'<i>H</i>)-isoxazol]-4-one","Acta Crystallographica Section C","2001","57","4","473","475","10.1107/S0108270101000920","","","1.5418","CuKα","","0.1584","0.0479","","","","0.1394","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011852","4.869","0.003","7.53","0.005","9.15","0.005","83.037","0.01","88.727","0.015","79.806","0.01","327.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-tetraazacyclotetradecane-2,9-dione dihydrate","","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","1","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","<i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.066","0.046","","","","0.118","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011853","20.861","0.003","7.3385","0.001","9.613","0.0013","90","","112.205","0.002","90","","1362.5","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4,8,11-tetraazacyclotetradecane-2,9-dione-κ^4^N)nickel(II) dihydrate","","- C10 H22 N4 Ni O4 -","- C10 H22 N4 Ni O4 -","- C40 H88 N16 Ni4 O16 -","4","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","<i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.04","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011854","9.6413","0.0004","9.6413","0.0004","11.5935","0.0007","90","","90","","120","","933.29","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium cadmium platinum hexaoxide","","- Cd O6 Pt Sr3 -","- Cd O6 Pt Sr3 -","- Cd6 O36 Pt6 Sr18 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.032","0.03","","","","0.072","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011855","9.6267","0.0007","9.6267","0.0007","11.2292","0.0011","90","","90","","120","","901.23","0.13","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium zinc platinum hexaoxide","","- O6 Pt Sr3 Zn -","- O6 Pt Sr3 Zn -","- O36 Pt6 Sr18 Zn6 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.036","0.029","","","","0.059","","","","","","0.981","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011856","16.703","0.003","3.634","0.001","20.248","0.003","90","","117.38","0.01","90","","1091.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(2-pyridylazo)-resorcinol","sodium 4-(2-pyridinylazo)-1,3-benzenediolate monohydrate","","- C11 H10 N3 Na O3 -","- C11 H10 N3 Na O3 -","- C44 H40 N12 Na4 O12 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.14","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2011857","3.924","0.001","20.314","0.004","13.336","0.003","90","","94.31","0.01","90","","1060","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acid Yellow 24","ammonium 2,4-dinitro-1-naphthalenolate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.01","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011858","3.878","0.001","3.878","","11.818","0.002","90","","90","","90","","177.73","0.05","297.2","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","1","0.0625","BR1311","Sato, Shoichi; Kino, Yoshihiro; Shibata, Atsushi; Nakamura, Masaru; Krauns, Christian; Shiohara, Yuh","Tetragonal SmBa~2~Cu~3~O~7{-~<i>x</i>} [<i>x</i>~=~0.74(4)]","Acta Crystallographica Section C","2001","57","4","341","343","10.1107/S0108270100020242","","","0.7107","MoKα","","","0.019","","","","0.026","","","","","","1.594","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011859","5.733","0.001","11.602","0.002","16.038","0.003","90","","93.16","0.03","90","","1065.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.051","0.037","","","","0.101","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011860","8.764","0.002","6.103","0.001","10.791","0.002","90","","112.97","0.03","90","","531.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C24 H22 N6 O2 -","2","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.064","0.031","","","","0.096","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011861","9.433","0.0012","25.266","0.003","27.258","0.004","90","","90","","90","","6496.5","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(tren)(DL-ile)](ClO~4~)~2~","trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C144 H360 Cl24 Co12 N60 O120 -","12","3","DA1160","Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian","<i>trans</i>-(<small>DL</small>-Isoleucinato-<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cobalt(III) diperchlorate","Acta Crystallographica Section C","2001","57","4","394","396","10.1107/S0108270101001548","","","0.71073","MoKα","","0.062","0.046","","","","0.125","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011862","4.51","0.0004","14.462","0.001","13.231","0.001","90","","98.823","0.007","90","","852.76","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","0.083","0.056","","","","0.151","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011863","7.218","0.003","14.042","0.007","9.16","0.002","90","","110.64","0.02","90","","868.8","0.6","100","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.045","","","","0.113","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011864","6.948","0.003","11.4543","0.0006","15.305","0.0007","90","","90","","90","","1218","0.5","297","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane sodium iodide","","- C7 H14 I Na O6 -","- C7 H14 I Na O6 -","- C28 H56 I4 Na4 O24 -","4","0.5","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.021","","","","0.059","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011865","8.043","0.003","5.459","0.003","15.74","0.004","90","","92.73","0.02","90","","690.3","0.5","292","","292","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.053","0.05","","0.079","","0.076","","","1.43","","","1.43","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011866","7.547","0.002","8.1565","0.0015","11.75","0.004","90","","101.1","0.03","90","","709.8","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.058","0.051","","0.079","","0.073","","","1.35","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011867","9.3895","0.0019","9.628","0.002","8.214","0.002","95.86","0.02","99.82","0.02","111.156","0.016","671.5","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N3 O4 -","- C11 H9 Cl2 N3 O4 -","- C22 H18 Cl4 N6 O8 -","2","1","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.062","0.052","","0.069","","0.063","","","1.37","","","1.37","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011868","13.3463","0.0003","23.46","0.0001","14.5584","0.0003","90","","100.56","0.001","90","","4481.09","0.14","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)rhodium(III) toluene solvate","","- C56 H41 I N5 Rh -","- C56 H41 I N5 Rh -","- C224 H164 I4 N20 Rh4 -","4","1","FG1606","Jameson, Geoffrey B.; Collman, James P.; Boulatov, Roman","Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)rhodium(III) toluene solvate","Acta Crystallographica Section C","2001","57","4","406","408","10.1107/S0108270101001536","","","0.7107","MoKα","","0.134","0.07","","","","0.126","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011869","19.4661","0.0007","10.7312","0.0004","8.3","0.0003","90","","90","","90","","1733.83","0.11","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine","","- C20 H22 N2 S -","- C20 H22 N2 S -","- C80 H88 N8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0386","0.0335","","","","0.1219","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011870","18.9551","0.0011","11.4905","0.0007","8.1745","0.0004","90","","90","","90","","1780.44","0.17","123","1","123","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Compound 2","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine‒1,1 ‒dioxide","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0438","0.0337","","","","0.0928","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011871","8.6663","0.0009","9.671","0.003","15.47","0.004","90","","90","","90","","1296.6","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","FG1617","Ellis, Dianne D.; Spek, Anthony L.","(3<i>R</i>,4a<i>S</i>,5<i>R</i>)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3<i>H</i>)-naphthalenone","Acta Crystallographica Section C","2001","57","4","497","498","10.1107/S0108270101002049","","","0.71073","MoKα","","0.0491","0.0395","","","","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011872","9.494","0.002","15.936","0.003","7.137","0.0014","90","","90","","90","","1079.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II)","","- C6 H6 Cl2 Cu N4 S2 -","- C6 H6 Cl2 Cu N4 S2 -","- C24 H24 Cl8 Cu4 N16 S8 -","4","0.5","FR1305","Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II)","Acta Crystallographica Section C","2001","57","4","354","355","10.1107/S0108270100020163","","","0.71073","MoKα","","0.027","0.023","","0.063","","0.061","","","1.13","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011873","16.785","0.003","10.211","0.002","14.054","0.003","90","","102.54","0.03","90","","2351.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl) ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","","- C15 H24 Cl2 Cu N8 O8 -","- C15 H24 Cl2 Cu N8 O8 -","- C60 H96 Cl8 Cu4 N32 O32 -","4","1","FR1308","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton J.; Joussef, Antônio C.","[2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl)ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","Acta Crystallographica Section C","2001","57","4","356","358","10.1107/S0108270100020254","","","0.71073","MoKα","","0.115","0.043","","","","0.114","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011874","5.966","0.003","13.392","0.002","14.898","0.003","90","","93.01","0.02","90","","1188.7","0.7","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","FR1313","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","5-Chloro-<i>N</i>-(2-hydroxy-5-methylphenyl)salicylaldimine","Acta Crystallographica Section C","2001","57","4","485","486","10.1107/S0108270101000993","","","0.71073","MoKα","","0.042","0.037","","","","0.1063","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011875","10.601","0.002","8.673","0.002","15.322","0.005","90","","103.81","0.02","90","","1368","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","FR1318","Hernández-Ortega, Simón; Jiménez-Cruz, Federico; Ríos-Olivares, Héctor; Rubio-Arroyo, Manuel","4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","Acta Crystallographica Section C","2001","57","4","425","427","10.1107/S0108270100020461","","","0.71073","MoKα","","0.14","0.048","","","","0.128","","","","","","0.765","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011876","12.538","0.004","16.239","0.006","7.866","0.005","90","","90","","90","","1601.6","1.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentacarbonyl(4-phenylpyridine)tungsten(0)","","- C16 H9 N O5 W -","- C16 H9 N O5 W -","- C64 H36 N4 O20 W4 -","4","0.25","GD1123","Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; .","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.037","0.032","","","","0.072","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011877","6.223","0.004","13.635","0.012","18.17","0.009","90","","92.6","0.05","90","","1540.1","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2-phenylpyridine)chromium(0)","","- C16 H9 Cr N O5 -","- C16 H9 Cr N O5 -","- C64 H36 Cr4 N4 O20 -","4","1","GD1123","Creaven, Bernadette S.; Howie, R. Alan; Long, Conor","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.203","0.087","","","","0.157","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011878","6.65","0.0012","12.261","0.003","16.058","0.003","90","","92.19","0.03","90","","1308.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-dicarbonyl-cis,cis-η^4^-1,5-cyclooctadienedirhodium(I)","","- C10 H12 Cl2 O2 Rh2 -","- C10 H12 Cl2 O2 Rh2 -","- C40 H48 Cl8 O8 Rh8 -","4","1","GD1124","Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain","Dicarbonyldi-μ-chloro-<i>cis,cis</i>-η^4^-1,5-cyclooctadienedirhodium(I)","Acta Crystallographica Section C","2001","57","4","352","353","10.1107/S0108270100020035","","","0.71069","MoKα","","0.1182","0.0671","","","","0.196","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011879","7.017","0.001","7.307","0.001","18.091","0.001","94.673","0.003","92.059","0.003","106.633","0.003","884.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","sulfasalazine","2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]benzoic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C36 H28 N8 O10 S2 -","2","1","GD1126","Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T.","Triclinic polymorph of sulfasalazine","Acta Crystallographica Section C","2001","57","4","435","436","10.1107/S0108270100020771","","","0.71073","MoKα","","0.0643","0.0428","","","","0.1134","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011880","6.318","0.003","15.867","0.01","7.571","0.004","90","","115.03","0.03","90","","687.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Ethynyl-1,2-methylenedioxybenzene","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","GD1130","Lawrence, Simon E.; Blake, Alexander J.; Maguire, Anita R.; Moynihan, Edmond J.A.","4-Ethynyl-1,2-methylenedioxybenzene at 150K","Acta Crystallographica Section C","2001","57","4","412","413","10.1107/S0108270100019909","","","0.71073","MoKα","","0.175","0.086","","","","0.163","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011881","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG9019","Mehmet Akkurt","Pseudokobusine. Erratum","Acta Crystallographica Section C","2001","57","4","500","500","10.1107/S0108270101003948","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011882","3.1546","0.0006","9.988","0.002","9.6769","0.0019","90","","90","","90","","304.9","0.1","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","Calcium dimanganese Oxide","Calcium dimanganese(III) Oxide","","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","IZ1001","Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W.","Redetermination of CaMn~2~O~4~","Acta Crystallographica Section C","2001","57","4","329","330","10.1107/S0108270100011367","","","0.71073","MoKα","","0.0225","0.0224","","0.0515","","0.0515","","","1.332","","","1.332","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011883","10.4889","0.0008","8.1503","0.0009","7.244","0.0012","90","","90","","90","","619.27","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","barium oxo-aluminate hydride","","- Al Ba3 H O4 -","- Al Ba3 H O4 -","- Al4 Ba12 H4 O16 -","4","0.5","IZ1007","Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline","Barium oxoaluminate hydride","Acta Crystallographica Section C","2001","57","4","339","340","10.1107/S0108270100020229","","","0.7107","MoKα","","0.0251","0.0225","","","","0.0543","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011884","9.9639","0.0006","9.9639","0.0006","9.3806","0.0009","90","","90","","90","","931.3","0.12","298","5","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Gismondine","","","- Ga5.76 H6.8 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","1","0.0625","IZ1009","Tripathi, Akhilesh; Parise, John; Kim, Sun Jin; Lee, Yongjae; Uh, Young Sun","K~5.76~Ga~5.76~Si~10.24~O~32~·3.4H~2~O, a gallosilicate with the zeolite gismondine topology","Acta Crystallographica Section C","2001","57","4","344","346","10.1107/S0108270100021090","","","0.643","Synchrotron","","0.0844","0.0671","","","","0.1558","","","","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011885","8.8047","0.0002","8.8047","0.0002","5.4329","0.0002","90","","90","","90","","421.17","0.02","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","zinc cyanamide","zinc cyanamide","","- C N2 Zn -","- C N2 Zn -","- C8 N16 Zn8 -","8","0.5","IZ1010","Becker, Michael; Jansen, Martin","Zinc cyanamide, Zn(CN~2~)","Acta Crystallographica Section C","2001","57","4","347","348","10.1107/S0108270101000865","","","0.71073","MoKα","","0.0268","0.0233","","","","0.0534","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011886","8.6469","0.0005","17.8651","0.0008","28.7434","0.0015","90","","90","","90","","4440.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate","","- C22 H16 B Cu F4 N7 -","- C22 H16 B Cu F4 N7 -","- C176 H128 B8 Cu8 F32 N56 -","8","1","JZ1434","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar","Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","4","363","365","10.1107/S0108270100020503","","","0.71073","MoKα","","0.087","0.045","","","","0.141","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011887","9.0382","0.0007","19.2008","0.0013","11.9087","0.0008","90","","96.579","0.006","90","","2053","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-1-(4,5-dinitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C16 H17 N9 O9 -","- C16 H17 N9 O9 -","- C64 H68 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.055","0.042","","","","0.127","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011888","8.0664","0.0006","12.3698","0.001","13.228","0.0013","111.282","0.008","106.037","0.007","90.735","0.006","1172.55","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C20 H25 N9 O8 -","- C20 H25 N9 O8 -","- C40 H50 N18 O16 -","2","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.045","0.036","","","","0.106","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011889","7.2885","0.0006","27.686","0.002","14.3642","0.0011","90","","101.707","0.008","90","","2838.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone tetrahydrofuran solvate","","- C24 H33 N9 O9 -","- C24 H33 N9 O9 -","- C96 H132 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.065","0.046","","","","0.154","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011890","12.3403","0.0008","18.3849","0.0017","8.5868","0.0006","90","","91.958","0.008","90","","1947","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O -","- C24 H18 N4 O -","- C96 H72 N16 O4 -","4","1","JZ1445","Ana Tesouro Vallina; Helen Stoeckli-Evans","Bis[4-(2-pyridylmethyleneamino)phenyl] ether","Acta Crystallographica Section C","2001","57","4","489","490","10.1107/S0108270101001111","","","0.71073","MoKα","","0.0462","0.0347","","","","0.0942","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011891","11.749","0.001","12.296","0.001","14.591","0.001","90","","107.544","0.003","90","","2009.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate","","- C18 H24 Cl2 N2 O3 -","- C18 H24 Cl2 N2 O3 -","- C72 H96 Cl8 N8 O12 -","4","1","NA1485","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)","Acta Crystallographica Section C","2001","57","4","437","438","10.1107/S010827010002076X","","","0.71073","MoKα","","0.097","0.048","","0.146","","0.121","","","0.9","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011892","6.5984","0.0005","7.1839","0.0004","11.2817","0.0006","103.084","0.004","98.38","0.005","102.485","0.005","497.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","NA1499","Ellis, Dianne D.; Spek, Anthony L.","3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione","Acta Crystallographica Section C","2001","57","4","433","434","10.1107/S0108270100020758","","","0.71073","MoKα","","0.0677","0.0439","","","","0.1155","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011893","6.5843","0.0005","10.404","0.0007","22.3443","0.0012","90","","90","","90","","1530.65","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5S,9S,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.0426","0.0345","","","","0.0861","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011894","6.6278","0.0005","11.1491","0.0009","21.1609","0.0019","90","","90","","90","","1563.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5R,9R,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.065","0.0393","","","","0.0915","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011895","12.826","0.002","7.392","0.001","11.447","0.002","90","","90","","90","","1085.3","0.3","200","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II)","","- C4 H8 Hg I2 N2 S -","- C4 H8 Hg I2 N2 S -","- C16 H32 Hg4 I8 N8 S4 -","4","0.5","NA1502","Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald","Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2001","57","4","409","411","10.1107/S0108270101001822","","","0.71073","MoKα","","0.0293","0.0247","","","","0.0565","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011896","28.485","0.002","12.964","0.003","5.413","0.002","90","","93.27","0.03","90","","1995.7","0.9","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethorprim maleate","","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C72 H88 N16 O28 -","4","1","OA1113","Prabakaran, Ponraj; Justin Robert, Jebamony; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara","Aminopyrimidine‒carboxyl(ate) interactions in trimethoprim maleate, an antifolate drug","Acta Crystallographica Section C","2001","57","4","459","461","10.1107/S0108270101000269","","","1.54178","CuKα","","0.1465","0.0651","","","","0.2569","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011897","11.046","0.003","27.336","0.004","6.707","0.006","90","","97.45","0.04","90","","2008.1","1.9","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 As Cl2 N4 -","- C16 H14 As Cl2 N4 -","- C64 H56 As4 Cl8 N16 -","4","0.5","OA1116","Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki","A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt","Acta Crystallographica Section C","2001","57","4","400","402","10.1107/S0108270101000245","","","0.7107","MoKα","","","0.0626","","","","0.0905","","","","","","1.954","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011898","8.5981","0.0003","5.1355","0.0002","18.2159","0.0007","90","","90","","90","","804.33","0.05","253","2","253","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3'-Selenobis(propionic acid)","","- C6 H10 O4 Se -","- C6 H10 O4 Se -","- C24 H40 O16 Se4 -","4","0.5","OS1132","Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.","3,3'-Selenobis(propionic acid)","Acta Crystallographica Section C","2001","57","4","439","440","10.1107/S0108270100021077","","","0.71073","MoKα","","0.0335","0.0232","","","","0.0612","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011899","5.7502","0.0009","5.7502","0.0009","8.637","0.003","90","","90","","90","","285.58","0.12","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.91 Mn2.09 O4 -","- Li0.907 Mn2.093 O4 -","- Li3.628 Mn8.372 O16 -","4","0.125","SK1365","Björk, Helen; Dabkowska, Hanna; Greedan, John E.; Gustafsson, Torbjörn; Thomas, John O.","(Li~0.91~Mn~0.09~)Mn~2~O~4~","Acta Crystallographica Section C","2001","57","4","331","332","10.1107/S0108270100019430","","","0.71073","MolybdenumKα~1~","","0.038","0.038","","0.083","","0.083","","","","","","3.94","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011900","7.382","0.003","18.187","0.011","5.413","0.002","90","","90","","90","","726.7","0.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Rubidiumdicoppervanadiumtetrasulfide","Rubidiumdicoppervanadiumtetrasulfide","","- Cu2 Rb S4 V -","- Cu2 Rb S4 V -","- Cu8 Rb4 S16 V4 -","4","0.5","SK1402","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","RbCu~2~VS~4~","Acta Crystallographica Section C","2001","57","4","333","334","10.1107/S0108270100019442","","","0.71073","MoKα","","0.058","0.033","","","","0.078","","","1.039","1.08","1.08","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011901","13.852","0.0003","20.076","0.0004","10.474","0.0002","90","","125.066","0.0012","90","","2384.05","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,6-bis(dimethylamino)methyl]phenyl}diphenyltin bromine monohydrate","","- C24 H31 Br N2 O Sn -","- C24 H31 Br N2 O Sn -","- C96 H124 Br4 N8 O4 Sn4 -","4","0.5","SK1427","Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav","{2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II) bromide monohydrate","Acta Crystallographica Section C","2001","57","4","373","374","10.1107/S0108270101000026","","","0.71073","MoKα","","0.0211","0.0202","","","","0.0503","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011902","8.558","0.003","12.989","0.003","24.991","0.005","90","","90","","90","","2778","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Cl Fe N2 O2 S2 -","- C34 H22 Cl Fe N2 O2 S2 -","- C136 H88 Cl4 Fe4 N8 O8 S8 -","4","1","SK1428","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","{Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III)","Acta Crystallographica Section C","2001","57","4","375","376","10.1107/S0108270101000038","","","0.71073","MoKα","","0.029","0.024","","","","0.067","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011903","9.5078","0.0002","9.5078","0.0002","87.797","0.002","90","","90","","120","","6873.4","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo21 Rb4 Se24 -","- Mo21 Rb4 Se24 -","- Mo126 Rb24 Se144 -","6","0.333333","SK1436","Picard, S.; Gougeon, P.; Potel, M.","Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","4","335","336","10.1107/S0108270100019466","","","0.71073","MoKα","","0.118","0.051","","","","0.117","","","","","","0.959","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011904","9.71","0.002","10.3412","0.0012","11.051","0.002","89.442","0.011","82.317","0.014","70.628","0.008","1036.7","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decan-1,2'-bicyclo[1.1.0]butan-4',1""- tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate","","- C26 H34 O4 -","- C26 H34 O4 -","- C52 H68 O8 -","2","1","SK1443","Bats, Jan W.; Bolte, Michael; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decane-1,2'-bicyclo[1.1.0]butane-4',1''-tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate, a strain-enhanced bicyclo[1.1.0]butane with a very short intramolecular C—H···H—C contact","Acta Crystallographica Section C","2001","57","4","441","443","10.1107/S010827010100004X","","","0.71073","MoKα","","0.051","0.04","","","","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011905","11.459","0.002","9.7078","0.0011","13.468","0.004","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","","- C6 H8 Br Cu N2 -","- C6 H8 Br Cu N2 -","- C48 H64 Br8 Cu8 N16 -","8","1","SK1444","Näther, Christian; Greve, Jan","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","4","377","378","10.1107/S0108270101000051","","","0.71073","MoKα","","0.057","0.032","","","","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011906","21.186","0.004","21.186","0.004","36.633","0.001","90","","90","","90","","16443","4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H27 F O4 -","- C23 H27 F O4 -","- C736 H864 F32 O128 -","32","2","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.057","0.0433","","","","0.0825","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011907","14.892","0.001","11.813","0.001","13.351","0.001","90","","115.78","0.01","90","","2114.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl O4 -","- C23 H27 Cl O4 -","- C92 H108 Cl4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0656","0.0397","","","","0.1007","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011908","9.736","0.002","11.37","0.003","18.263","0.003","90","","99.54","0.01","90","","1993.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.1784","0.0792","","","","0.2257","","","","","","1.223","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011909","9.339","0.001","11.638","0.001","20.052","0.001","90","","102.65","0.01","90","","2126.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0559","0.041","","","","0.111","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011910","8.916","0.002","11.573","0.002","21.106","0.005","90","","98.15","0.01","90","","2155.8","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O5 -","- C24 H30 O5 -","- C96 H120 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0809","0.046","","","","0.1141","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011911","9.223","0.001","12.012","0.001","20.661","0.001","90","","101.42","0.01","90","","2243.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0871","0.0557","","","","0.1314","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011912","11.936","0.003","12.969","0.004","16.204","0.005","74.5","0.01","90.16","0.01","65.5","0.01","2180.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Cl2 O4 -","- C23 H26 Cl2 O4 -","- C92 H104 Cl8 O16 -","4","2","SK1447","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Two diastereomers of 9-(2,6-dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,4a,5,6,7,8,9a-decahydroxanthene-1,8-dione in the same crystal","Acta Crystallographica Section C","2001","57","4","444","445","10.1107/S0108270101000063","","","0.71073","MoKα","","0.1534","0.0787","","","","0.2414","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011913","12.052","0.003","8.009","0.003","14.354","0.003","90","","92.35","0.02","90","","1384.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethylhydroxamic acid","N-propionylhydroxylamine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C36 H84 N12 O24 -","12","3","SK1449","Ferguson, George; Glidewell, Christopher","<i>N</i>-Propionylhydroxylamine forms a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2001","57","4","452","454","10.1107/S0108270101000075","","","0.71073","MoKα","","0.0504","0.0376","","","","0.1138","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011914","10.4286","0.0005","12.1213","0.0012","14.6271","0.0018","90","","90","","90","","1849","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethylglycinium trifluoroacetate","1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate","","- C6 H10 F3 N O4 -","- C6 H10 F3 N O4 -","- C48 H80 F24 N8 O32 -","8","1","SK1450","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate","Acta Crystallographica Section C","2001","57","4","417","420","10.1107/S0108270101000087","","","0.71073","MoKα","","0.052","0.037","","","","0.105","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011915","4.4772","0.0003","11.1379","0.0007","13.1891","0.0009","90","","94.748","0.001","90","","655.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diamino-4 -nitrobenzene","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.0918","0.0587","","","","0.1925","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011916","8.5377","0.0006","14.0119","0.0009","12.7071","0.0008","90","","90.899","0.002","90","","1519.96","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitroaniline","","- C6 H5 N3 O4 -","- C6 H5 N3 O4 -","- C48 H40 N24 O32 -","8","2","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.1412","0.0464","","","","0.1325","","","","","","0.825","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011917","20.674","0.007","7.653","0.002","19.211","0.006","90","","116.939","0.004","90","","2709.7","1.4","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{N-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O} (tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II)","","- C20 H23 F6 N O9 S3 Ti -","- C20 H23 F6 N O9 S3 Ti -","- C80 H92 F24 N4 O36 S12 Ti4 -","4","1","TA1308","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","{<i>N</i>-[2-(η^5^-Cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>}(tetrahydrofuran-<i>O</i>)bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)","Acta Crystallographica Section C","2001","57","4","366","367","10.1107/S0108270100020515","","","0.71073","MoKα","","0.088","0.044","","","","0.12","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011918","11.551","0.004","15.068","0.005","15.218","0.005","90","","93.233","0.005","90","","2644.5","1.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(μ-{N-[η^5^-2-(cyclopentadienyl)ethyl]-p-toluenesulfonamido-N,O:O'}) bis[bis(trifluoromethanesulfonato-O)titanium(II)] bis(dichloromethane) solvate","","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C68 H68 Cl8 F24 N4 O32 S12 Ti4 -","2","0.5","TA1309","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","Bis{μ-<i>N</i>-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>:<i>O</i>'}bis[bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)] bis(dichloromethane) solvate","Acta Crystallographica Section C","2001","57","4","368","369","10.1107/S0108270100020527","","","0.71073","MoKα","","0.126","0.056","","","","0.139","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011919","5.007","0.001","17.676","0.003","6.523","0.001","90","","100.4","0.02","90","","567.83","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium tartrate","L-prolinium tartrate","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","VJ1124","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","<small>L</small>-Prolinium tartrate","Acta Crystallographica Section C","2001","57","4","423","424","10.1107/S0108270100020370","","","1.5418","CuKα","","0.0276","0.0275","","","","0.0736","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011920","30.992","0.007","8.613","0.004","6.721","0.007","90","","90","","90","","1794","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cyclohexylammonium (2-oxy-2'-hydroxy-biphenyl)phosphonate","","- C18 H24 N O4 P -","- C18 H24 N O4 P -","- C72 H96 N4 O16 P4 -","4","1","VJ1128","Kumara Swamy, K. C.; Said, Musa A.","Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate","Acta Crystallographica Section C","2001","57","4","491","492","10.1107/S0108270101001184","","","0.71073","MoKα","","0.0843","0.0543","","","","0.1769","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011921","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Tricoccin R2","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1131","Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2. Erratum","Acta Crystallographica Section C","2001","57","4","499","499","10.1107/S010827010002045X","","","1.5418","CuKα","","0.0401","0.0364","","","","0.1034","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011922","10.292","0.002","5.741","0.001","23.474","0.004","90","","95.05","0.01","90","","1381.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H9 Cl F2 N2 S -","- C15 H9 Cl F2 N2 S -","- C60 H36 Cl4 F8 N8 S4 -","4","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0399","0.0314","","","","0.0891","","","","","","1.066","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00",""
"2011923","7.616","0.001","10.202","0.003","10.868","0.002","108.86","0.02","106.96","0.01","105.46","0.02","701","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-Difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C16 H12 F2 N2 S -","- C16 H12 F2 N2 S -","- C32 H24 F4 N4 S2 -","2","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0459","0.0302","","","","0.0729","","","","","","0.916","","","","has coordinates","191031","2020-10-21","18:00:00",""
"2011924","9.9302","0.0008","7.9433","0.0009","7.1288","0.0008","98.31","0.01","110.58","0.01","75.108","0.009","507.83","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","nitrocarbamimidoyl azide","","- C H2 N6 O2 -","- C H2 N6 O2 -","- C4 H8 N24 O8 -","4","2","AV1067","Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","Nitroguanyl azide","Acta Crystallographica Section C","2001","57","5","625","626","10.1107/S0108270101002827","","","1.5418","CuKα","","0.036","0.0339","","","","0.0951","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011925","7.333","0.003","9.389","0.004","17.161","0.007","90","","95.05","0.04","90","","1176.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-7-methoxy-2-methyl-5H-1-benzopyrano[4,3-b]pyridin-5-one","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","AV1068","Kettmann, Viktor; Světlík, Jan; Kratky, Christoph","4-Hydroxy-7-methoxy-2-methyl-5<i>H</i>-1-benzopyrano[4,3-<i>b</i>]pyridin-5-one","Acta Crystallographica Section C","2001","57","5","590","592","10.1107/S0108270101002360","","","0.71073","MoKα","","0.101","0.054","","0.185","","0.15","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011926","15.6","0.004","20.764","0.006","5.826","0.003","90","","90","","90","","1887.1","1.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(2S)-N-[5-(4-chlorophenyl)-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene]-2- (phenylsulfonyl)amino]propanamide","","- C18 H17 Cl N4 O3 S2 -","- C18 H17 Cl N4 O3 S2 -","- C72 H68 Cl4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.074","0.051","","","","0.123","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011927","9.675","0.019","12.704","0.019","15.606","0.015","90","","90","","90","","1918","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R)-N-[5-(4-fluoro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C18 H17 F N4 O3 S2 -","- C18 H17 F N4 O3 S2 -","- C72 H68 F4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.06","0.049","","","","0.128","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011928","10.613","0.004","11.193","0.004","16.399","0.005","90","","102.48","0.03","90","","1902","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S)-N-[5-(5-chloro-2-thienyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C16 H15 Cl N4 O3 S3 -","- C16 H15 Cl N4 O3 S3 -","- C64 H60 Cl4 N16 O12 S12 -","4","2","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.107","0.061","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011929","7.7492","0.0002","10.447","0.0003","14.3852","0.0003","90","","100.81","0.001","90","","1143.9","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C17 H25 N O10 S -","- C17 H25 N O10 S -","- C34 H50 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.096","0.062","","","","0.168","","","","","","0.88","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011930","7.3543","0.0002","10.2555","0.0001","14.0142","0.0004","90","","100.684","0.002","90","","1038.66","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-methyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C16 H23 N O10 S -","- C16 H23 N O10 S -","- C32 H46 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.126","0.072","","","","0.184","","","","","","0.86","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011931","7.197","0.004","47.756","0.002","5.076","0.003","90","","90","","90","","1744.6","1.4","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,17-Heptadecanediol","","","- C17 H36 O2 -","- C17 H36 O2 -","- C68 H144 O8 -","4","1","BJ1023","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","1,17-Heptadecanediol","Acta Crystallographica Section C","2001","57","5","585","586","10.1107/S010827010100213X","","","1.5418","CuKα","","0.0689","0.0435","","0.0615","","0.0541","","","1.362","","","1.459","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011932","9.968","0.003","9.909","0.004","4.068","0.002","103.06","0.04","103.51","0.04","98.15","0.03","372.5","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.045","0.043","","0.052","","0.051","","","1.7","","","1.74","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011933","9.944","0.002","9.885","0.002","4.0314","0.0008","103.22","0.02","103.08","0.02","98.44","0.02","367.43","0.14","245","","245","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.094","","","","0.107","","","","","","2.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011934","9.927","0.002","9.866","0.002","4.0015","0.0008","103.4","0.01","102.77","0.02","98.73","0.02","363.2","0.14","40","","40","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.069","","","","0.085","","","","","","2.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011935","10.015","0.005","9.988","0.004","4.2432","0.0015","101.5","0.03","104.41","0.03","97.29","0.03","395.8","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 O5 Rb -","- C5 H6 O5 Rb -","- C10 H12 O10 Rb2 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.057","0.054","","0.052","","0.052","","","1.567","","","1.59","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011936","9.162","0.003","9.898","0.003","3.7672","0.0017","98.86","0.04","97.66","0.03","109.61","0.03","311.6","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","1","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.1","","0.098","","","1.96","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011937","9.824","0.003","5.572","0.0017","15.556","0.005","90","","101.31","0.03","90","","835","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C32 H36 N4 O12 -","2","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.106","","0.102","","","1.89","","","1.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011938","7.889","0.003","16.839","0.01","8.288","0.002","90","","100.49","0.03","90","","1082.6","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.082","0.079","","0.096","","0.088","","","1.47","","","1.46","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011939","8.528","0.005","20.668","0.008","6.5438","0.0015","90","","90","","90","","1153.4","0.9","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O8 -","- C9 H13 N O8 -","- C36 H52 N4 O32 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.047","0.044","","0.046","","0.044","","","1.8","","","1.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011940","17.624","0.005","27.665","0.005","10.428","0.003","90","","94.52","0.02","90","","5069","2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 Cl3 N2 P Re -","- C27 H21 Cl3 N2 P Re -","- C216 H168 Cl24 N16 P8 Re8 -","8","2","BK1586","Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)","Acta Crystallographica Section C","2001","57","5","558","559","10.1107/S0108270101003535","","","0.7107","MoKα","","","0.0483","","","","0.1265","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011941","9.7467","0.0012","14.2911","0.0018","9.2122","0.0011","94.091","0.011","95.769","0.011","70.809","0.009","1204.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5,7-dimethyl-1,2-diphenyl-6-(4,5-benzo-1,3-dithiol-2-ylidene)- C~1~-homobasketane","5,7-dimethyl-1,2-diphenyl-6-(1,3-benzodithiol-2-ylidene) pentacyclo[5.4.0.0^2,5^.0^3,11^.0^4,8^]undecane","","- C32 H28 S2 -","- C32 H28 S2 -","- C64 H56 S4 -","2","1","BK1587","Tomura, Masaaki; Yamashita, Yoshiro","A molecule with a <i>C</i>~1~-homobasketane framework","Acta Crystallographica Section C","2001","57","5","619","620","10.1107/S0108270101002761","","","0.71069","MoKα","","0.117","0.042","","","","0.122","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011942","10.579","0.002","12.104","0.002","7.003","0.002","90","","102.26","0.03","90","","876.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hydronium-5-amino-uracil-6-sulphonate hydrate","","","- C4 H9 N3 O7 S -","- C4 H9 N3 O7 S -","- C16 H36 N12 O28 S4 -","4","1","BM1438","Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A.","Oxonium 5-aminouracil-6-sulfonate hydrate","Acta Crystallographica Section C","2001","57","5","562","563","10.1107/S010827010001742X","","","1.5418","CuKα","","0.0532","0.0517","","","","0.1385","","","","","","0.922","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011943","8.147","0.0016","8.412","0.0017","11.149","0.002","98.46","0.03","108.69","0.03","96.93","0.03","704.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1083","0.0552","","","","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011944","8.455","0.001","8.475","0.001","12.073","0.002","83.05","0.02","71.33","0.02","76.35","0.02","795.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carboxylate","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C32 H30 N6 O10 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1126","0.0579","","","","0.1537","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011945","18.97","0.004","18.97","0.004","12.414","0.005","90","","90","","120","","3868.8","1.9","294","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- B H32 K5 O56 W12 -","- B K2 O54 W12 -","- B3 K6 O162 W36 -","3","0.25","BR1308","Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica Section C","2001","57","5","505","507","10.1107/S0108270101002840","","","0.71073","MoKα","","","0.036","","","","0.048","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011946","13.097","0.0009","6.531","0.0005","10.6873","0.0006","90","","90","","90","","914.15","0.11","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- Ge0.32 K O5 Sb Si0.68 -","- Ge0.324 K0.999 O5 Sb Si0.675 -","- Ge2.592 K7.992 O40 Sb8 Si5.4 -","8","1","BR1312","Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen","KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph","Acta Crystallographica Section C","2001","57","5","510","512","10.1107/S0108270101003547","","","0.71073","MoKα","","0.123","0.046","","0.168","","0.168","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011947","28.6498","0.0004","10.67","0.0002","18.2997","0.0004","90","","121.524","0.001","90","","4768.53","0.16","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[8-(5-iodo-n-hexyl)-5-(pentahapto-pentamethylcyclopentadienyl)- arachno-3-rhoda-7,8-dithia-arachno-undecaborane]","","- C15 H34 B8 I Rh S2 -","- C15 H34 B8 I Rh S2 -","- C120 H272 B64 I8 Rh8 S16 -","8","1","BR1313","Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr","Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-<i>arachno</i>-3,7,8-RhS~2~B~8~H~9~]","Acta Crystallographica Section C","2001","57","5","520","522","10.1107/S010827010100244X","","","0.71069","MoKα","","0.0615","0.0578","","","","0.1622","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011948","7.3566","0.0008","7.1341","0.0009","13.793","0.0013","90","","114.28","0.02","90","","659.86","0.16","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rubidium antimonide","","- Rb Sb -","- Rb Sb -","- Rb8 Sb8 -","8","2","BR1316","Hirschle, Christian; Emmerling, Franziska; Röhr, Caroline","β-Rubidium antimonide, Rb~4~Sb~4~","Acta Crystallographica Section C","2001","57","5","501","502","10.1107/S0108270101002451","","","0.7107","MoKα","","0.1238","0.0481","","","","0.127","","","","","","1.022","","","","has coordinates,has Fobs","281689","2023-03-07","09:04:01",""
"2011949","11.3717","0.0006","11.3717","0.0006","36.739","0.003","90","","90","","120","","4114.4","0.5","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","3α-hydroxytirucalla-7,24-diene-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","DA1159","Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali","3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith","Acta Crystallographica Section C","2001","57","5","638","640","10.1107/S0108270101003316","","","0.71073","MoKα","","0.101","0.049","","","","0.14","","","","","","0.901","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011950","10.552","0.005","15.287","0.002","16.072","0.009","90","","96.6","0.05","90","","2575.4","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 B F15 N O -","- C27 H15 B F15 N O -","- C108 H60 B4 F60 N4 O4 -","4","1","DA1161","Stibrany, Robert T.; Brant, Patrick","Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate","Acta Crystallographica Section C","2001","57","5","644","645","10.1107/S0108270101003328","","","1.5418","CuKα","","0.0708","0.0444","","","","0.1178","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011951","7.6541","0.0002","11.0918","0.0003","17.599","0.0005","90","","90","","90","","1494.12","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-alanine dihydrate","","- C12 H20 N2 O5 -","- C12 H20 N2 O5 -","- C48 H80 N8 O20 -","4","1","DA1163","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-alanine dihydrate","Acta Crystallographica Section C","2001","57","5","575","576","10.1107/S010827010100155X","","","0.71073","MoKα","","0.0444","0.0348","","","","0.0895","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011952","8.596","0.004","9.15","0.005","10.724","0.005","92.528","0.009","101.917","0.009","99.127","0.009","812.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(hexafluoroantimonato-F)(phthalocyaninato- κ^4^N^29^,N^30^,N^31^,N^32^)copper(II)","","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","1","0.5","DA1164","Gardberg, Anna S.; Ibers, James A.","<i>trans</i>-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II)","Acta Crystallographica Section C","2001","57","5","528","529","10.1107/S0108270101001561","","","0.71073","MoKα","","0.114","0.064","","","","0.15","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011953","10.474","0.002","13.221","0.002","20.288","0.003","90","","91.33","0.01","90","","2808.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(rac-Me6[14]aneN4)(nicotinato)]ClO4","(Nicotinato-O,O')(C-rac-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) perchlorate","","- C22 H40 Cl N5 Ni O6 -","- C22 H40 Cl N5 Ni O6 -","- C88 H160 Cl4 N20 Ni4 O24 -","4","1","DA1165","Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simón; Martínez-García, Marcos; Saniger-Blesa, José-Manuel","(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(nicotinato-<i>O</i>,<i>O</i>')nickel(II) perchlorate","Acta Crystallographica Section C","2001","57","5","553","555","10.1107/S010827010100333X","","","0.71073","MoKα","","0.087","0.046","","","","0.1","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011954","12.313","0.002","10.674","0.005","19.535","0.002","90","","90","","90","","2567.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C112 H144 O16 S8 -","8","1","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.081","0.052","","","","0.15","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011955","22.136","0.008","10.144","0.002","24.923","0.006","90","","114.17","0.02","90","","5106","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C224 H288 O32 S16 -","16","2","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.075","0.044","","","","0.124","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011956","5.8759","0.0006","6.9198","0.0007","22.262","0.002","90","","90.08","0.002","90","","905.17","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin","1-(aminomethyl)cyclohexaneacetic acid","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0664","0.0464","","","","0.1182","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011957","14.567","0.003","9.2153","0.0018","7.6503","0.0015","90","","93.375","0.003","90","","1025.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin monohydrate","1-(aminomethyl)cyclohexaneacetic acid monohydrate","","- C9 H19 N O3 -","- C9 H19 N O3 -","- C36 H76 N4 O12 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0997","0.0573","","","","0.1329","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011958","8.0796","0.0004","10.197","0.0007","13.7534","0.0009","90","","90","","90","","1133.11","0.12","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-dimethoxy-11-oxatricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.034","0.028","","0.073","","0.071","","","1.054","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011959","7.545","0.001","10.75","0.001","27.336","0.003","90","","94.69","0.02","90","","2209.8","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-dimethoxy-3,7-dioxatetracyclo[6.4.0.0^2,6^0^4,12^]dodec-9-en-11-ol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.061","0.04","","0.111","","0.1","","","1.055","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011960","10.556","0.004","9.191","0.001","12.536","0.006","90","","114.28","0.05","90","","1108.7","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O11 -","- C18 H24 N2 O11 -","- C36 H48 N4 O22 -","2","1","DA1176","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse","<i>N</i>-(2-Acetamido-3,4,6-tri-<i>O</i>-acetyl-2-deoxy-α-<small>D</small>-galactopyranosyloxy)succinimide","Acta Crystallographica Section C","2001","57","5","649","650","10.1107/S0108270101003377","","","0.71073","MoKα","","0.069","0.069","","0.055","","0.055","","","1.939","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011961","7.995","0.002","9.261","0.002","18.062","0.002","98.29","0.01","94.47","0.01","101.21","0.01","1290.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C10 H13.5 N4 O3.75 S -","- C10 H13.5 N4 O3.75 S -","- C40 H54 N16 O15 S4 -","4","4","DE1134","Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A.","9(<i>R</i>)-[6(<i>R</i>)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine‒water (4/3), a nucleoside analogue","Acta Crystallographica Section C","2001","57","5","560","561","10.1107/S0108270100010799","","","0.71069","MoKα","","0.0725","0.0715","","0.1545","0.1535","","","","0.958","1.135","1.135","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011962","10.8871","0.0002","13.4187","0.0003","17.9641","0.0004","68.7915","0.0012","83.8241","0.001","87.0651","0.0011","2432.23","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chloro(2-pyridinecarboxaldehyde)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloro(2-pyridinecarboxylic acid)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloroform, Hydrate (1.8/0.2/1/1)","","- C43 H35 Cl7 N8 O11.2 Ru2 -","- C43 H34.799 Cl7 N8 O11.201 Ru2 -","- C86 H69.598 Cl14 N16 O22.402 Ru4 -","2","1","FG1610","Kelson, Eric P.; Phengsy, Proma P.; Arif, Atta M.","A chloro(2-pyridinecarboxaldehyde)(2,2':6',2''-terpyridine)ruthenium(II) complex","Acta Crystallographica Section C","2001","57","5","517","519","10.1107/S0108270101001305","","","0.71073","MoKα","","0.0867","0.0486","","","","0.1162","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011963","13.144","0.003","7.75","0.002","22.415","0.005","90","","100.87","0.01","90","","2242.4","0.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-3,6-Dioxo-5β-cholanic acid","","- C24 H37 O4.5 -","- C24 H36.5 O4.5 -","- C96 H146 O18 -","4","1","FR1302","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid","Acta Crystallographica Section C","2001","57","5","632","633","10.1107/S0108270101002980","","","0.71073","MoKα","","0.113","0.05","","","","0.109","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011964","9.1947","0.0013","11.24","0.003","13.1995","0.0013","95.874","0.013","91.525","0.01","102.63","0.02","1322.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Rhodamine-6g","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)- 2,7-dimethylxanthylium chloride monohydrate","","- C28 H33 Cl N2 O4 -","- C28 H31 Cl N2 O4 -","- C56 H62 Cl2 N4 O8 -","2","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.0937","0.067","","","","0.217","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011965","13.5624","0.0014","21.468","0.003","15.427","0.003","90","","95.409","0.012","90","","4471.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodamine-123","9-[2-(methoxycarbonyl)phenyl]-3,6-diamio- xanthylium chloride trihydrate","","- C21 H23 Cl N2 O6 -","- C21 H21 Cl N2 O6 -","- C168 H168 Cl8 N16 O48 -","8","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.1202","0.0715","","","","0.2683","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011966","7.1995","0.0005","12.6309","0.0014","3.7913","0.0003","90.805","0.009","99.905","0.007","94.116","0.008","338.63","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C16 H10 N2 O4 -","2","1","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0502","0.0361","","","","0.1063","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011967","7.5701","0.001","14.496","0.003","6.4945","0.0007","90.751","0.014","104.796","0.008","94.41","0.013","686.61","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","2","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0616","0.0388","","","","0.1191","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011968","10.221","0.002","12.325","0.003","3.7951","0.0009","97.24","0.02","98.49","0.02","67.649","0.018","436.04","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","bis(4-pyridinium)acetylene bis(hydrogen squarate)","","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","0.71069","MoKα","","0.197","0.045","","","","0.141","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011969","10.2606","0.0009","12.2942","0.0017","3.7749","0.0013","97.845","0.017","98.444","0.013","67.259","0.008","432.75","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridinium)ethylene bis(hydrogen squarate)","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","1.54178","CuKα","","0.055","0.044","","","","0.133","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011970","10.702","0.002","10.702","0.002","8.703","0.002","90","","90","","120","","863.2","0.3","10","2","10","2","","","","","","","","5","P 63","P 6c","173","","","","- H4 N O4 P Zn -","- H4 N O4 P Zn -","- H32 N8 O32 P8 Zn8 -","8","1.33333","GD1138","Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.","Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K","Acta Crystallographica Section C","2001","57","5","508","509","10.1107/S0108270101002992","","","0.71073","MoKα","","0.0128","0.0125","","","","0.0312","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011971","12.4526","0.0004","12.6673","0.0005","12.6426","0.0005","90","","114.39","0.03","90","","1816.3","0.4","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H23 F8 Fe N4 O -","- C45 H23 F8 Fe N4 O -","- C90 H46 F16 Fe2 N8 O2 -","2","0.5","GG1037","Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin","Methoxy[<i>meso</i>-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)]","Acta Crystallographica Section C","2001","57","5","556","557","10.1107/S0108270101003006","","","0.71073","MoKα","","0.12","0.079","","","","0.207","","","","","","1.067","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011972","6.94","0.001","17.755","0.001","13.829","0.002","90","","104.18","0.01","90","","1652.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","protopine hydrochloride","5,6,8,14-tetrahydro-14a-hydroxy-7-methyl-1,3-benzodioxolo[5,6-a] -1,3-benzodioxolo[4,5-g]quinolizinium chloride","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","GG1038","Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan","Protopine hydrochloride","Acta Crystallographica Section C","2001","57","5","651","652","10.1107/S0108270101003249","","","0.71073","MoKα","","0.046","0.039","","","","0.102","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011973","6.8189","0.0002","16.1505","0.0004","9.6257","0.0003","90","","100.761","0.0013","90","","1041.42","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 4-amino-1,3-dioxo-2,3-dihydro-6-methoxy-1H- pyrrolo[3,4-c]pyridine-7-carboxylate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","GG1042","Low, John N.; Cobo, Justo; Garcìa, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate forms hydrogen-bonded sheets built from <i>R</i>~<b>2~</b>^<b>2^</b>(8) and <i>R</i>~<b>6~</b>^<b>6^</b>(42) rings","Acta Crystallographica Section C","2001","57","5","597","599","10.1107/S0108270101002359","","","0.71073","MoKα","","0.052","0.041","","","","0.113","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011974","21.4179","0.0006","11.1466","0.0002","14.9649","0.0003","90","","133.428","0.0006","90","","2594.61","0.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine‒water (4/1)","","- C20 H31 N10 O8.5 -","- C20 H31 N10 O8.5 -","- C80 H124 N40 O34 -","4","1","GG1043","Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","<i>N</i>-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-<small>L</small>-isoleucine‒water (4/1): interplay of molecular and supramolecular structures","Acta Crystallographica Section C","2001","57","5","604","607","10.1107/S0108270101002475","","","0.71073","MoKα","","0.06","0.042","","","","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011975","4.0413","0.0002","16.6702","0.001","14.0749","0.0008","90","","97.183","0.001","90","","940.77","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2,4-dinitrobenzenesulfenate","","- C7 H6 N2 O5 S -","- C7 H6 N2 O5 S -","- C28 H24 N8 O20 S4 -","4","1","GG1044","Cannon, Debbie; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","Soft C—H···O hydrogen bonds in methyl 2,4-dinitrobenzenesulfenate: sheets built from <i>R</i>~<b>2~</b>^<b>2^</b>(10) and <i>R</i>~<b>6~</b>^<b>6^</b>(42) rings","Acta Crystallographica Section C","2001","57","5","600","603","10.1107/S0108270101002852","","","0.71073","MoKα","","0.087","0.049","","","","0.141","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011976","8.8926","0.0002","10.2539","0.0002","10.85","0.0004","62.2233","0.001","82.4797","0.001","69.105","0.0014","817.03","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒ dimethyl sulfoxide (1/1)","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C26 H36 N8 O12 S2 -","2","1","GG1046","Cannon, Debbie; Low, John N.; Cobo, Justo; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒dimethyl sulfoxide (1/1) forms chains containing O—H···O and C—H···O hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","5","608","610","10.1107/S0108270101003250","","","0.71073","MoKα","","0.061","0.045","","","","0.121","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011977","12.4228","0.0011","12.63","0.003","5.101","0.003","90","","90","","90","","800.3","0.5","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","tribarium diantimonide oxide","","- Ba3 O Sb2 -","- Ba3 O Sb2 -","- Ba12 O4 Sb8 -","4","0.5","IZ1006","Boss, Michael; Pickhard, Frank; Zumdick, Markus; Röhr, Caroline","Barium antimonide oxide, Ba~3~Sb~2~O","Acta Crystallographica Section C","2001","57","5","503","504","10.1107/S0108270101002785","","","0.7107","MoKα","","0.039","0.034","","","","0.078","","","","","","1.228","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011978","13.1476","0.0015","22.6558","0.0016","16.9355","0.0019","90","","90.221","0.014","90","","5044.5","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)","","- C36 H84 Al3 Nd O12 -","- C36 H84 Al3 Nd O12 -","- C144 H336 Al12 Nd4 O48 -","4","2","JZ1432","Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar","Nd[Al(^<i>i^</i>PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals","Acta Crystallographica Section C","2001","57","5","515","516","10.1107/S0108270101000750","","","0.71073","MoKα","","0.039","0.031","","","","0.069","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2011979","9.509","0.001","12.824","0.001","12.635","0.001","90","","99.78","0.008","90","","1518.4","0.2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Co N7 O6 S -","- C6 H22 Co N7 O6 S -","- C24 H88 Co4 N28 O24 S4 -","4","1","JZ1442","Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu","(2-Aminoethanethiolato-<i>N</i>,<i>S</i>)bis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) dinitrate","Acta Crystallographica Section C","2001","57","5","538","539","10.1107/S0108270101002773","","","0.7107","MoKα","","0.039","0.031","","","","0.041","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011980","6.959","0.001","8.564","0.001","18.734","0.003","90","","90","","90","","1116.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-1,3dideaza-2'-deoxyadenosine","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl) -1H-benzotriazole","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","JZ1443","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","The high-<i>anti</i> conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine","Acta Crystallographica Section C","2001","57","5","660","662","10.1107/S0108270101004152","","","0.71073","MoKα","","0.0455","0.0412","","","","0.1126","","","","","","1.098","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011981","16.116","0.0001","12.8286","0.0002","17.593","0.0003","90","","90","","90","","3637.28","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diphenyldithiophosphinato-tetracarbonylrhenium(I)","","- C16 H10 O4 P Re S2 -","- C16 H10 O4 P Re S2 -","- C128 H80 O32 P8 Re8 S16 -","8","1","JZ1448","García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.","Tetracarbonyl(diphenyldithiophosphinato-<i>S</i>,<i>S</i>')rhenium(I)","Acta Crystallographica Section C","2001","57","5","532","533","10.1107/S0108270101002190","","","0.71073","MoKα","","0.0592","0.0412","","","","0.0976","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011982","8.3162","0.0002","11.2384","0.0003","20.408","0.0005","90","","90","","90","","1907.35","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1-Phenylsulfonylindol-2-yl-methyl)-N-methylaniline","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","NA1496","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C.","<i>N</i>-Methyl-<i>N</i>-(1-phenylsulfonylindol-2-ylmethyl)aniline","Acta Crystallographica Section C","2001","57","5","569","571","10.1107/S010827010100097X","","","0.71073","MoKα","","0.0644","0.0405","","","","0.1186","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011983","10.505","0.003","14.213","0.002","18.822","0.003","90","","92.77","0.02","90","","2807","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans diaqua [tetrakis(3,5-dimethylopyrazole- N^2^)] nickel (II) dichloride","","- C20 H36 Cl2 N8 Ni O2 -","- C20 H36 Cl2 N8 Ni O2 -","- C80 H144 Cl8 N32 Ni4 O8 -","4","0.5","NA1497","Małecka, Magdalena; Rybarczyk, Agnieszka; Olszak, Tomasz A.; Malinowska, Katarzyna; Ochocki, Justyn","<i>trans</i>-Diaquatetrakis(3,5-dimethylpyrazole-<i>N</i>^2^)nickel(II) dichloride","Acta Crystallographica Section C","2001","57","5","513","514","10.1107/S0108270100020746","","","0.71069","MoKα","","0.1222","0.0567","","","","0.1706","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011984","11.1188","0.0001","7.6413","0.0001","27.4773","0.0001","90","","99.065","0.001","90","","2305.37","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II)","","- C20 H20 N4 Ni O2 S4 -","- C20 H20 N4 Ni O2 S4 -","- C80 H80 N16 Ni4 O8 S16 -","4","1","NA1503","Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun","{3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(<i>S</i>-methyl dithiocarbazate)}nickel(II)","Acta Crystallographica Section C","2001","57","5","523","525","10.1107/S0108270101001585","","","0.71073","MoKα","","0.044","0.033","","","","0.08","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011985","7.444","0.0004","7.4642","0.0004","13.5136","0.0006","80.3701","0.0017","76.0568","0.0018","68.6413","0.0014","676.06","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium","","- C9 H13 K N6 O6 -","- C9 H13 K N6 O6 -","- C18 H26 K2 N12 O12 -","2","1","NA1505","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher","[<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer","Acta Crystallographica Section C","2001","57","5","534","537","10.1107/S0108270101002670","","","0.71073","MoKα","","0.067","0.045","","","","0.113","","","","","","1.072","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011987","9.555","0.002","6.287","0.002","17.295","0.002","90","","99.99","0.01","90","","1023.2","0.4","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1)","","- C26 H12 F4 N4 -","- C26 H12 F4 N4 -","- C52 H24 F8 N8 -","2","0.5","","Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio","The charge-transfer complex trans-STB‒TCNQF4","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","564","565","10.1107/S0108270100019454","","","0.71073","MoKα","","0.087","0.04","","","","0.1238","","","","","","1.029","","","","has coordinates","246119","2020-10-21","18:00:00",""
"2011988","4.8574","0.001","7.3046","0.001","23.1846","0.001","91.61","0.01","95.66","0.01","90.99","0.01","818.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lead heptanoate","catena-poly[[(heptanoato-O,O')lead(II)]-μ-heptanoato-O,O':O]","","- C14 H26 O4 Pb -","- C14 H26 O4 Pb -","- C28 H52 O8 Pb2 -","2","1","","Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean","Anhydrous lead(II) heptanoate","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","530","531","10.1107/S0108270101001615","","","0.71073","MoKα","","0.053","0.042","","","","0.132","","","","","","1.034","","","","has coordinates","246102","2020-10-21","18:00:00",""
"2011989","12.5921","0.0015","12.5921","0.0015","73.721","0.007","90","","90","","120","","10123","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Triaqua-hexakis-(μ-betaine)-μ~3~-oxo- triiron(III) trichloride bis(tetrachloromanganate) hexahydrate","","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C180 H504 Cl66 Fe18 Mn12 N36 O132 -","6","0.166667","SK1445","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-<i>O</i>:<i>O</i>')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate","Acta Crystallographica Section C","2001","57","5","542","545","10.1107/S0108270101002876","","","0.71073","MoKα","","0.1193","0.0399","","","","0.1121","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011990","10.69","0.001","12.822","0.003","16.485","0.002","85.24","0.01","71.24","0.01","85.87","0.01","2129.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(benzoato-O,O')bis(2,6-diaminopyridine-N)dicopper(II)acetonitrile solvat","","- C42 H40 Cu2 N8 O8 -","- C42 H40 Cu2 N8 O8 -","- C84 H80 Cu4 N16 O16 -","2","1","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.1466","0.056","","","","0.154","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011991","9.875","0.001","10.707","0.001","18.046","0.002","75.86","0.01","79.69","0.01","68.28","0.01","1710.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat","","- C35 H30.5 Cu2 N3.5 O8 -","- C70 H61 Cu4 N7 O16 -","- C70 H61 Cu4 N7 O16 -","1","0.5","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.0299","0.0249","","","","0.0794","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011992","11.6335","0.0001","5.6309","0.0001","14.8578","0.0002","90","","121.091","0.001","90","","833.48","0.02","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]","","- C14 H12 N4 Pb S2 -","- C14 H12 N4 Pb S2 -","- C28 H24 N8 Pb2 S4 -","2","1","SK1453","Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","<i>catena</i>-Poly[[bis(thiocyanato-<i>N</i>)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","5","526","527","10.1107/S0108270101002888","","","0.71073","MoKα","","0.0398","0.0375","","","","0.0885","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011993","13.5686","0.0009","16.0982","0.0018","19.615","0.003","90","","91.086","0.012","90","","4283.7","0.9","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C208 H272 O32 -","8","2","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.101","0.059","","","","0.159","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011994","13.5304","0.0015","16.005","0.002","39.089","0.007","90","","91.147","0.012","90","","8463","2","142","2","142","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C416 H544 O64 -","16","4","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.176","0.1","","","","0.246","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011995","5.699","0.002","10.347","0.003","11.327","0.004","67.51","0.02","80.38","0.03","80.35","0.03","604.5","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0913","0.0469","","","","0.1302","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011996","13.901","0.004","5.843","0.006","16.559","0.005","90","","112.7","0.02","90","","1240.8","1.4","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-benzyl-3,3-dimethyl-5-thioxomorpholin-2-one","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0988","0.0524","","","","0.151","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011997","8.6915","0.0013","11.896","0.003","13.661","0.004","75.62","0.02","76.211","0.016","84.971","0.018","1328.2","0.6","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dithione","","- C13 H15 N O S2 -","- C13 H15 N O S2 -","- C52 H60 N4 O4 S8 -","4","2","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0802","0.0487","","","","0.1421","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011998","34.792","0.005","10.0951","0.0017","11.6821","0.0017","90","","102.962","0.012","90","","3998.5","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-Di-9-fluorenylethanol","","- C28 H22 O -","- C28 H22 O -","- C224 H176 O8 -","8","1","SX1118","Meyers, Cal Y.; Lutfi, Hisham G.; Hou, Yuqing; Robinson, Paul D.","1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","580","581","10.1107/S0108270101001846","","","0.71069","MoKα","","0.177","0.037","","","","0.138","","","","","","0.968","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011999","13.211","0.003","19.044","0.003","9.5505","0.0012","98.852","0.011","108.115","0.014","74.565","0.014","2194.7","0.7","296","","296","","","","","","","","","3","P -1","-P 1","2","","1,1-Di(9-fluorenyl)ethyl Acetate","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","2","SX1121","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","582","584","10.1107/S0108270101001858","","","0.71069","MoKα","","0.21","0.043","","","","0.14","","","","","","0.972","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012000","7.595","0.0007","9.9731","0.0009","13.7266","0.0009","90","","98.967","0.006","90","","1027.02","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","SX1123","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section C","2001","57","5","587","589","10.1107/S0108270101002311","","","0.71073","MoKα","","0.059","0.037","","","","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012001","12.0263","0.0017","6.0321","0.0009","5.829","0.002","90","0.12","90","0.03","90","0.03","422.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","VJ1132","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","<small>DL</small>-Alanine","Acta Crystallographica Section C","2001","57","5","614","615","10.1107/S010827010100261X","","","1.5418","CuKα","","0.0254","0.0252","","","","0.0719","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012002","7.6058","0.0008","10.378","0.0002","10.695","0.001","90","","119.635","0.007","90","","733.76","0.12","293","2","293","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","meso-N,N'-oxalyl-bis-valine","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","0.5","AV1074","Perić, Berislav; Kojić-Prodić, Biserka; Makarević, Janja; Jokić, Milan; Žinić, Mladen","<i>meso</i>-<i>N</i>,<i>N</i>'-Oxalyldivaline","Acta Crystallographica Section C","2001","57","6","747","748","10.1107/S0108270101004590","","","1.54178","CuKα","","0.0841","0.0626","","","","0.1944","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012003","7.8579","0.0001","23.7627","0.0005","15.3423","0.0002","90","","94.765","0.001","90","","2854.89","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- methyl Biphenyl","","- C17 H15 N3 -","- C17 H15 N3 -","- C136 H120 N24 -","8","2","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(<i>N</i>,<i>N</i>-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.162","0.0667","","","","0.1733","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012004","10.8918","0.0002","10.3458","0.0002","16.5707","0.0002","90","","101.496","0.001","90","","1829.8","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- N,N diethyl amino Biphenyl","","- C20 H22 N4 -","- C20 H22 N4 -","- C80 H88 N16 -","4","1","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(<i>N</i>,<i>N</i>-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.1397","0.0605","","","","0.1449","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012005","8.3887","0.0006","6.0883","0.0005","16.8795","0.001","90","","90","","90","","862.09","0.11","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Aqua isophthalato zinc(II)","poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]","","- C8 H6 O5 Zn -","- C8 H6 O5 Zn -","- C32 H24 O20 Zn4 -","4","1","BK1593","Otto, Thomas J.; Wheeler, Kraig A.","Aqua(benzene-1,3-dicarboxylato)zinc(II)","Acta Crystallographica Section C","2001","57","6","704","705","10.1107/S0108270101004772","","","0.71073","MoKα","","0.037","0.034","","","","0.085","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012006","7.2662","0.0003","5.4568","0.0005","5.7092","0.0006","97.596","0.002","91.83","0.002","103.493","0.002","217.73","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","chromous hydrazine sulfate","Dihydraziniumchromium(II) sulfate","","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","1","0.5","BM1427","Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W.","Chromous hydrazine sulfate","Acta Crystallographica Section C","2001","57","6","670","671","10.1107/S0108270101000919","","","0.71073","MoKα","","0.027","0.025","","","","0.074","","","","","","1.178","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012007","13.601","0.003","10.981","0.003","17.973","0.004","90","","102.598","0.006","90","","2619.7","1.1","301","2","301","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H25 F Mo N O4 P -","- C27 H25 F Mo N O4 P -","- C108 H100 F4 Mo4 N4 O16 P4 -","4","1","BM1444","McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C.","<i>cis</i>-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-<i>P</i>](piperidine-<i>N</i>)molybdenum(0)","Acta Crystallographica Section C","2001","57","6","678","679","10.1107/S0108270101003614","","","0.71073","MoKα","","0.0392","0.0331","","","","0.0675","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012008","13.0758","0.0002","18.3961","0.0003","13.0405","0.0002","90","","104.694","0.0012","90","","3034.22","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(hydridotris-{3-cyclohexylpyrazol-1-yl}borato)copper(II) bis(dichloromethane) solvate","","- C56 H84 B2 Cl4 Cu N12 -","- C56 H84 B2 Cl4 Cu N12 -","- C112 H168 B4 Cl8 Cu2 N24 -","2","0.5","BM1451","Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark","Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate","Acta Crystallographica Section C","2001","57","6","711","713","10.1107/S0108270101005510","","","0.71073","MoKα","","0.0722","0.0578","","","","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012009","14.2774","0.0007","6.6398","0.0004","10.2465","0.0006","90","","122.224","0.001","90","","821.74","0.08","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lutetium silicate","Dilutetium silicon pentaoxide","","- Lu2 O5 Si -","- Lu2 O5 Si -","- Lu16 O40 Si8 -","8","1","BR1287","Gustafsson, T.; Klintenberg, M.; Derenzo, S. E.; Weber, M. J.; Thomas, J. O.","Lu~2~SiO~5~ by single-crystal X-ray and neutron diffraction","Acta Crystallographica Section C","2001","57","6","668","669","10.1107/S0108270101005352","","neutron","1.207","neutron","","0.035","0.035","","0.078","","0.078","","","","","","2.91","","","","has coordinates,has Fobs","190524","2020-10-21","18:00:00",""
"2012010","9.8354","0.0001","7.5648","0.0001","31.1172","0.0004","90","","94.4628","0.0004","90","","2308.19","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-diphenyl-1,10-phenanthrolinetetracarbonylmolybdenum","","- C28 H16 Mo N2 O4 -","- C28 H16 Mo N2 O4 -","- C112 H64 Mo4 N8 O16 -","4","1","BR1317","Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo","A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline","Acta Crystallographica Section C","2001","57","6","696","697","10.1107/S0108270101004164","","","0.71073","MoKα","","0.0381","0.0233","","","","0.0536","","","","","","0.931","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012011","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012012","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4.00008 P -","- Al2 O8.00016 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012013","13.487","0.003","3.647","0.001","13.506","0.003","90","","102.33","0.03","90","","649","0.3","203","2","203","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,2,4,5-Tetrahydroxybenzene monohydrate","","- C6 H8 O5 -","- C6 H8 O5 -","- C24 H32 O20 -","4","1","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.71073","MoKα","","0.055","0.045","","","","0.149","","","","","","1.22","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2012014","7.387","0.003","6.06","0.001","12.198","0.002","90","","105.78","0.02","90","","525.5","0.3","163","2","163","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","1.54178","CuKα","","0.038","0.035","","","","0.114","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012015","7.382","0.001","6.065","0.001","12.197","0.001","90","","105.778","0.001","90","","525.51","0.12","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.354","synchrotron","","0.036","0.031","","","","0.113","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012016","7.2603","0.0016","10.777","0.002","15.197","0.003","73.544","0.004","77.338","0.004","83.827","0.004","1111.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(dimethylquinoxalineH)2CuBr3","Bis(dimethylquinoxalinium)tribrocuprate(I)","","- C20 H22 Br3 Cu N4 -","- C20 H22 Br3 Cu N4 -","- C40 H44 Br6 Cu2 N8 -","2","1","DA1178","Willett, Roger D.; Twamley, Brendan","Bis(2,3-dimethylquinoxalinium) tribromocuprate(I)","Acta Crystallographica Section C","2001","57","6","706","708","10.1107/S0108270101005017","","","0.71073","MoKα","","0.0537","0.0307","","","","0.0718","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012017","9.2884","0.0008","6.7527","0.0006","10.6582","0.0009","90","","96.5141","0.0014","90","","664.19","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Difluoro-(E)-5-(2-iodovinyl)-1-(2'-deoxy-β-D-ribofuranosyl)benzene","","- C13 H13 F2 I O3 -","- C13 H13 F2 I O3 -","- C26 H26 F4 I2 O6 -","2","1","DA1180","Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G.","(<i>E</i>)-1-(2'-Deoxy-β-<small>D</small>-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene","Acta Crystallographica Section C","2001","57","6","758","760","10.1107/S0108270101005029","","","0.71073","MoKα","","0.0394","0.0372","","","","0.0953","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012018","12.487","0.002","7.5477","0.0013","17.513","0.003","90","","105.22","0.02","90","","1592.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole","","- C20 H10 N4 S -","- C20 H10 N4 S -","- C80 H40 N16 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1282","0.0682","","","","0.2092","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012019","5.1097","0.0003","24.4522","0.0016","17.8489","0.0013","90","","92.281","0.005","90","","2228.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,7-bis[(4-pyridinium)ethynyl]-2,1,3-benzothiadiazole diperchlorate","","- C20 H12 Cl2 N4 O8 S -","- C20 H12 Cl2 N4 O8 S -","- C80 H48 Cl8 N16 O32 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1236","0.0606","","","","0.2045","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012020","5.604","0.009","25.9","0.05","8.427","0.012","90","","96.4","0.14","90","","1216","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminomalononitrile p-toluenesulfonate","Ammonio-malononitrile p-toluenesulfonate","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","DE1169","Steiner, Thomas","The C—H···O hydrogen bond in (dicyanomethyl)ammonium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","2001","57","6","775","776","10.1107/S0108270101005789","","","0.71073","MoKα","","0.0604","0.0451","","","","0.126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012021","8.538","0.002","14.114","0.002","15.648","0.004","106.04","0.014","93.59","0.02","104.964","0.016","1732.5","0.7","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl3 Fe I N4 O4 -","- C33 H33 Cl3 Fe I N4 O4 -","- C66 H66 Cl6 Fe2 I2 N8 O8 -","2","1","FG1624","Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio","(12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^<i>N</i>)iodoiron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","6","694","695","10.1107/S0108270101003985","","","0.71069","MoKα","","0.084","0.0479","","","","0.15","","","","","","1.089","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012022","29.2399","0.0004","12.5188","0.0002","23.8447","0.0004","90","","119.649","0.0006","90","","7585.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48 Cl2 N2 O2 Zr -","- C39.5 H47 Cl2 N2 O2 Zr -","- C316 H376 Cl16 N16 O16 Zr8 -","8","1","GD1128","Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.","Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate","Acta Crystallographica Section C","2001","57","6","674","675","10.1107/S0108270101003559","","","0.71073","MoKα","","0.1104","0.0502","","","","0.1059","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012023","10.899","0.005","12.211","0.004","7.775","0.003","102.23","0.02","92.21","0.03","96.64","0.03","1002.4","0.7","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 N O3 S -","- C22 H17 Cl2 N O3 S -","- C44 H34 Cl4 N2 O6 S2 -","2","1","GD1131","Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.","(<i>Z</i>)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-<i>p</i>-tosyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine","Acta Crystallographica Section C","2001","57","6","740","741","10.1107/S0108270101004036","","","0.7107","MoKα","","0.0935","0.0491","","","","0.1178","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012024","11.525","0.005","14.465","0.006","9.761","0.003","90","","92.82","0.04","90","","1625.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenylazo-2-(4-methoxyphenylamino)-2-penten-4-one","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","GD1141","Kettmann, Viktor; Lokaj, Jan; Petr Šimunek; Vladimír Macháček","4-(4-Methoxyphenylamino)-3-phenylazo-3-penten-2-one","Acta Crystallographica Section C","2001","57","6","737","739","10.1107/S0108270101004851","","","0.71073","MoKα","","0.153","0.0695","","","","0.1394","","","","","","0.932","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012025","7.153","0.003","8.961","0.004","13.156","0.007","92.69","0.05","106.83","0.05","96.79","0.04","798.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GD1142","Lokaj, Jan; Kettmann, Viktor; Marchalin, Stefan; Sikoraiova, Jana","<i>cis</i>-6-Phenyl-4b<i>H</i>,6<i>H</i>,11<i>H</i>,13<i>H</i>-isoindolo[1,2-<i>c</i>]benz[2,4]oxazepin-13-one","Acta Crystallographica Section C","2001","57","6","735","736","10.1107/S0108270101003870","","","0.71073","MoKα","","0.061","0.047","","","","0.133","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012026","11.414","0.003","10.769","0.003","17.863","0.005","90","","93.303","0.006","90","","2192","1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato) tantalum] dichloromethane hemisolvate","","- C20.5 H59 B18 Cl N8 O Ta2 -","- C20.5 H59 B18 Cl N8 O Ta2 -","- C41 H118 B36 Cl2 N16 O2 Ta4 -","2","1","GD1146","Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M.","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(<i>N</i>,<i>N</i>-dimethylacetamidinato)tantalum] dichloromethane hemisolvate","Acta Crystallographica Section C","2001","57","6","702","703","10.1107/S010827010100436X","","","0.71073","MoKα","","0.048","0.035","","","","0.095","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012027","7.108","0.001","17.598","0.004","7.246","0.001","90","","90.33","0.03","90","","906.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-nitraminopyridinium nitrate","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.075","0.043","","","","0.141","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012028","11.824","0.002","8.138","0.002","20.125","0.004","90","","97.36","0.03","90","","1920.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitraminopyridinium methanesulphonate","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C48 H72 N24 O40 S8 -","8","2","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.038","0.033","","","","0.099","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012029","12.4551","0.0014","7.9901","0.0008","13.035","0.0019","90","","105.983","0.005","90","","1247.1","0.3","150","2","150","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 150 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.084","0.05","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012030","12.5688","0.0015","8.0208","0.0008","13.0871","0.0009","90","","105.531","0.004","90","","1271.2","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 293 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.132","0.049","","","","0.1","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012031","11.2779","0.0003","13.3386","0.0004","15.8739","0.0005","90","","98.7953","0.0016","90","","2359.85","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) - form A at 150 K","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C104 H96 Cl8 Ni4 P8 -","4","1","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.059","0.042","","","","0.117","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012032","12.7815","0.0007","7.701","0.0007","26.271","0.002","90","","96.418","0.005","90","","2569.7","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2- yl)glycylglycinato]calcium","","- C18 H28 Ca N12 O13 -","- C18 H28 Ca N12 O13 -","- C72 H112 Ca4 N48 O52 -","4","0.5","GG1048","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Cannon, Debbie; Quesada, Antonio; Glidewell, Christopher","Bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]triaquacalcium: coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","6","680","682","10.1107/S0108270101004267","","","0.71073","MoKα","","0.096","0.049","","","","0.135","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012033","7.6037","0.0003","33.9046","0.0014","11.9404","0.0006","90","","93.058","0.002","90","","3073.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C128 H64 N16 O32 S16 -","8","2","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.249","0.061","","","","0.115","","","","","","0.86","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012034","14.3782","0.0013","16.0723","0.0014","7.791","0.0007","90","","93.256","0.002","90","","1797.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.096","0.043","","","","0.079","","","","","","1.005","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012035","14.8129","0.0011","15.928","0.0013","7.6616","0.0006","90","","91.671","0.002","90","","1806.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of <i>N</i>,<i>N</i>'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.14","0.062","","","","0.184","","","","","","0.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012036","9.5208","0.0001","9.5208","0.0001","37.5113","0.0005","90","","90","","120","","2944.69","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","pentarubidium heptacosamolybdenum hentriacontaselenium","","- Mo27 Rb5 Se31 -","- Mo27 Rb5 Se31 -","- Mo54 Rb10 Se62 -","2","0.166667","JZ1447","Picard, S.; Gougeon, P.; Potel, M.","Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","6","663","664","10.1107/S0108270101003389","","","0.71069","MoKα","","0.127","0.047","","","","0.12","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012037","13.009","0.003","9.333","0.005","15.162","0.005","90","","113.24","0.02","90","","1691.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(vanpa)(benzoato)]~2~","bis(μ-benzoato-O:O')-bis(2-(6-methoxy)salicylideneamino -3-propanolato-N,O'',O''':O''')-dimanganese(III)","","- C36 H36 Mn2 N2 O10 -","- C36 H36 Mn2 N2 O10 -","- C72 H72 Mn4 N4 O20 -","2","0.5","JZ1457","Zhang, Cungen; Janiak, Christoph","A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-<i>O</i>:<i>O</i>')bis[3-(3-methoxysalicylideneamino)propanolato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']dimanganese(III)","Acta Crystallographica Section C","2001","57","6","719","720","10.1107/S0108270101005790","","","0.71073","MoKα","","0.0805","0.0466","","","","0.116","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012038","9.37","0.0004","13.033","0.0005","17.521","0.0006","90","","90","","90","","2139.65","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Biphenylylurea","4-Biphenylylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","JZ1458","George, Sumod; Nangia, Ashwini; Lynch, Vincent M.","<i>N</i>-(4-Biphenylyl)urea","Acta Crystallographica Section C","2001","57","6","777","778","10.1107/S0108270101005807","","","0.71073","MoKα","","0.0543","0.0404","","0.1044","","0.0965","","","1.015","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012039","12.875","0.0002","6.996","0.0001","16.448","0.0003","90","","111.223","0.0008","90","","1381.05","0.04","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyrrolidine-N:N)bis(dibromoboron)","","- C8 H16 B2 Br4 N2 -","- C8 H16 B2 Br4 N2 -","- C32 H64 B8 Br16 N8 -","4","1","LN1117","Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris","Bis(μ-pyrrolidine-<i>N</i>:<i>N</i>)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~]","Acta Crystallographica Section C","2001","57","6","770","771","10.1107/S0108270101005388","","","0.7107","MoKα","","0.037","0.029","","","","0.069","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012040","9.9502","0.0002","10.368","0.0002","12.4995","0.0002","94.692","0.001","94.319","0.001","98.505","0.001","1266.03","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-4-(4-N,N-diethylaminophenyl)-2-(4'-hydroxyphenyl)-7- (pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","","- C29 H30 N6 O -","- C29 H30 N6 O -","- C58 H60 N12 O2 -","2","1","NA1495","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","5-Amino-4-(4-diethylaminophenyl)-2-(4-hydroxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","2001","57","6","726","727","10.1107/S010827010100422X","","","0.71073","MoKα","","0.0631","0.0549","","","","0.1698","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012041","19.27","0.004","7.2111","0.0017","10.025","0.005","90","","90","","90","","1393.1","0.8","293","2","","","","","","","","","","5","I m a 2","I 2 -2a","46","","catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']","","- C2 H8 Br2 N2 Zn -","- C2 H8 Br2 N2 Zn -","- C16 H64 Br16 N16 Zn8 -","8","1","NA1500","Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip","<i>catena</i>-Poly[dibromozinc(II)-μ-ethylenediamine-<i>N</i>:<i>N</i>']: resolution of structural anomalies resulting from the interpretation of vibrational spectra","Acta Crystallographica Section C","2001","57","6","672","673","10.1107/S0108270101000567","","","1.54178","CuKα","","","0.053","","","","0.151","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012042","8.238","0.008","7.498","0.006","15.016","0.008","90","","92.81","0.05","90","","926.4","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Potassium 4-(4-bis(hydroxyethyl)amino-phenylazo)benzoate dihydrate","","- C17 H22 K N3 O6 -","- C17 H22 K N3 O6 -","- C34 H44 K2 N6 O12 -","2","1","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.0626","0.0391","","","","0.1035","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012043","9.023","0.003","11.818","0.003","19.4","0.005","99.31","0.04","99.41","0.04","93.36","0.02","2006.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Sodium 4-({4-[N,N-bis(2-hydroxyethyl)amino]phenyl}diazenyl)benzoate 3.5-hydrate","","- C17 H25 N3 Na O7.5 -","- C17 H25 N3 Na O7.5 -","- C68 H100 N12 Na4 O30 -","4","2","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.1215","0.0689","","","","0.2091","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012044","12.661","0.001","6.033","0.0008","18.494","0.0002","90","","96.19","0.01","90","","1404.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl3 O Te -","- C11 H11 Cl3 O Te -","- C44 H44 Cl12 O4 Te4 -","4","1","NA1512","Zukerman-Schpector, J.; Haiduc, Ionel; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.","Acetonyldichloro[(<i>Z</i>)-2-chloro-2-phenylvinyl]tellurium(IV), helical chains of metal complexes","Acta Crystallographica Section C","2001","57","6","749","750","10.1107/S0108270101004656","","","0.71073","MoKα","","0.0411","0.0252","","","","0.0714","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012045","13.51","0.003","18.014","0.007","16.795","0.005","90","","90","","90","","4087","2","173","1","173","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","","- C26 H16 S4 -","- C26 H16 S4 -","- C208 H128 S32 -","8","1","NA1515","Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","Acta Crystallographica Section C","2001","57","6","764","766","10.1107/S0108270101005248","","","0.71069","MoKα","","0.0931","0.0422","","","","0.1162","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012046","9.655","0.0005","20.8077","0.0008","11.0793","0.0005","90","","102.388","0.005","90","","2173.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl β-carboline-3-carboxylate.","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","SK1458","Kubicki, Maciej; Codding, Penelope W.","Form II of monoclinic methyl β-carboline-3-carboxylate","Acta Crystallographica Section C","2001","57","6","728","729","10.1107/S0108270101003171","","","1.54178","CuKα","","0.0492","0.0391","","","","0.0988","","","","","","1.219","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012047","17.9277","0.001","15.2675","0.0008","7.662","0.003","90","","96.39","0.01","90","","2084.1","0.8","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N-Dimethylcarbamato-bis(η^2^-cyclooctene)iridium(I)","","- C19 H34 Ir N S2 -","- C19 H34 Ir N S2 -","- C76 H136 Ir4 N4 S8 -","4","0.5","SK1462","Dahlenburg, Lutz; Kühnlein, Michael","Bis(η^2^-cyclooctene)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-<i>S</i>,<i>S</i>')iridium(I), the first example of a tetracoordinate Ir^I^ complex containing two π-bonded monoolefin ligands","Acta Crystallographica Section C","2001","57","6","709","710","10.1107/S0108270101004954","","","0.71073","MoKα","","0.0267","0.0192","","","","0.0526","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012048","11.1819","0.0002","12.0934","0.0002","17.286","0.0002","107.693","0.001","96.349","0.001","109.896","0.001","2033.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 N2 Ni O4 P2 S4 -","- C40 H36 N2 Ni O4 P2 S4 -","- C80 H72 N4 Ni2 O8 P4 S8 -","2","1","SK1464","Hao, Qingli; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin","Bis(<i>O</i>,<i>O</i>'-di-<i>p</i>-tolyldithiophosphato-<i>S</i>,<i>S</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section C","2001","57","6","717","718","10.1107/S0108270101005522","","","0.71073","MoKα","","0.0663","0.0482","","","","0.1198","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012049","10.2842","0.0003","14.9172","0.0004","13.0621","0.0004","90","","102.522","0.0011","90","","1956.21","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane )nickel(II)] diperchlorate","","- C28 H56 Cl2 N8 Ni2 O14 -","- C28 H56 Cl2 N8 Ni2 O14 -","- C56 H112 Cl4 N16 Ni4 O28 -","2","1","SK1465","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","μ-1,4-Benzenedicarboxylato-bis[<i>trans</i>-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2001","57","6","683","686","10.1107/S0108270101003857","","","0.71073","MoKα","","0.075","0.041","","","","0.097","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012050","23.822","0.0003","16.0839","0.0003","15.6819","0.0003","90","","123.571","0.001","90","","5006.31","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Fe N3 O3 -","- C30 H24 Fe N3 O3 -","- C240 H192 Fe8 N24 O24 -","8","1","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.088","0.0531","","","","0.1421","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012051","7.5388","0.0002","9.1091","0.0001","24.8514","0.0006","90","","90","","90","","1706.59","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu N2 O3 -","- C20 H18 Cu N2 O3 -","- C80 H72 Cu4 N8 O12 -","4","0.5","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.1154","0.0884","","","","0.2393","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012052","6.088","0.002","11.9486","0.0015","15.022","0.012","90","","107.54","0.04","90","","1041.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","betainium trifluoroacetate","N,N,N-trimethylglycinium-trifluoroacetate","","- C7 H12 F3 N O4 -","- C7 H12 F3 N O4 -","- C28 H48 F12 N4 O16 -","4","1","SK1468","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betainium trifluoroacetate","Acta Crystallographica Section C","2001","57","6","761","763","10.1107/S0108270101004966","","","0.71073","MoKα","","0.0612","0.0389","","","","0.1239","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012053","11.39","0.0002","21.2256","0.0006","11.7248","0.0003","90","","118.214","0.0012","90","","2497.79","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C28 H32 Fe2 N2 O4 -","- C28 H32 Fe2 N2 O4 -","- C112 H128 Fe8 N8 O16 -","4","1","SK1469","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1): sheets built from O—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2001","57","6","687","689","10.1107/S0108270101004978","","","0.71073","MoKα","","0.0944","0.0443","","","","0.1037","","","","","","0.985","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012054","7.5083","0.0002","11.614","0.0003","12.6644","0.0003","93.862","0.001","98.759","0.001","94.527","0.001","1084.53","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.064","0.053","","","","0.141","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012055","7.5178","0.0001","10.0669","0.0002","14.6364","0.0002","73.534","0.001","80.826","0.001","81.478","0.001","1042.46","0.03","163","","163","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.044","0.036","","","","0.095","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012056","23.525","0.007","8.2344","0.0008","15.841","0.005","90","","127.996","0.014","90","","2418.2","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dibromobis(hexamethylphosphoric triamide)cobalt(II)","","- C12 H36 Br2 Co N6 O2 P2 -","- C12 H36 Br2 Co N6 O2 P2 -","- C48 H144 Br8 Co4 N24 O8 P8 -","4","0.5","SK1472","Suzuki, Honoh; Yuriko, Abe; Ishiguro, Shin-ichi","Complex of cobalt(II) bromide with hexamethylphosphoric triamide","Acta Crystallographica Section C","2001","57","6","721","722","10.1107/S0108270101005960","","","0.71073","MoKα","","0.1066","0.0553","","","","0.2121","","","","","","1.256","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012057","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazol[1,2-a]purin-9(5H)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SX1107","Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech","Water molecules in the crystal structure of tricyclic acyclovir","Acta Crystallographica Section C","2001","57","6","767","769","10.1107/S0108270101005364","","","0.71073","MoKα","","0.145","0.062","","","","0.155","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012058","12.988","0.001","21.823","0.002","23.542","0.004","90","","90.84","0.01","90","","6672","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[europium(III)-tri-μ-4-methylbenzoato-O:O,O';O:O,O';O,O':O']","","- C24 H21 Eu O6 -","- C24 H21 Eu O6 -","- C288 H252 Eu12 O72 -","12","3","VJ1129","Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei","<i>catena</i>-Poly[europium-tri-μ-4-methylbenzoato]","Acta Crystallographica Section C","2001","57","6","676","677","10.1107/S0108270101003560","","","0.71073","MoKα","","","0.0305","","","","0.0597","","","","","","0.896","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2012059","12.554","0.0003","7.4686","0.0002","8.2628","0.0003","90","","100.272","0.0013","90","","762.31","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.028","0.026","","","","0.076","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012060","12.3589","0.0003","7.4464","0.0002","8.2199","0.0002","90","","99.8369","0.0014","90","","745.35","0.03","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.023","0.022","","","","0.057","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012061","12.297","0.003","7.435","0.001","8.197","0.002","90","","99.72","0.01","90","","738.7","0.3","15","1","15","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.024","0.024","","","","0.063","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012062","10.378","0.002","9.725","0.002","12.699","0.003","90","","99.195","0.007","90","","1265.2","0.5","110","0.2","110","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) and 1-phenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.071","0.047","","","","0.142","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012063","10.35","0.002","9.449","0.002","13.763","0.003","90","","106.07","0.03","90","","1293.4","0.5","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) and 1-phenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.126","0.049","","","","0.115","","","","","","0.879","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012064","14.232","0.012","14.232","0.012","14.232","0.012","90","","90","","90","","2883","4","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tris-tert.-butyl-phosphine sulfide","","- C12 H27 P S -","- C12 H27 P S -","- C96 H216 P8 S8 -","8","0.333333","BJ1020","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents","Acta Crystallographica Section C","2001","57","7","835","837","10.1107/S0108270101005959","","","0.71073","MoKα","","0.072","0.063","","","","0.136","","","","","","1.329","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012065","3.828","0.0005","12.7738","0.0016","21.203","0.003","90","","91.118","0.014","90","","1036.6","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.077","0.057","","0.074","","0.063","","","1.38","","","1.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012066","10.293","0.004","7.276","0.002","13.818","0.006","90","","105.17","0.03","90","","998.8","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.072","0.051","","0.07","","0.061","","","1.33","","","1.33","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012067","11.7643","0.0005","8.2154","0.0004","16.5207","0.0006","90","","104.1","0.02","90","","1548.59","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate","","- C13 H15 F3 N2 O4 S -","- C13 H15 F3 N2 O4 S -","- C52 H60 F12 N8 O16 S4 -","4","1","BM1441","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(<i>E</i>)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2<i>H</i>-pyrrolium trifluoromethanesulfonate","Acta Crystallographica Section C","2001","57","7","815","816","10.1107/S0108270100020448","","","0.71073","MoKα","","","0.044","","","","0.0544","","","","","","1.0257","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012068","8.6689","0.0008","17.6441","0.0016","9.6101","0.0008","90","","93.283","0.003","90","","1467.5","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-pyridone 6/5 hydrate","","- C5 H7.4 N O2.2 -","- C5 H7.4 N O2.2 -","- C50 H74 N10 O22 -","10","5","BM1453","Jones, Peter G.","A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate","Acta Crystallographica Section C","2001","57","7","880","882","10.1107/S0108270101008228","","","0.71073","MoKα","","0.0514","0.0344","","","","0.0899","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012069","10.6601","0.0005","10.5515","0.0005","14.5604","0.0006","90","","90","","90","","1637.75","0.13","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,1'-bis(nido-decaboranyl)","","- B20 H26 -","- B20 H26 -","- B80 H104 -","4","0.5","BR1315","Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat","Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(<i>nido</i>-decaboranyl)","Acta Crystallographica Section C","2001","57","7","779","780","10.1107/S0108270101003407","","","0.689","synchrotron","","0.0781","0.0558","","","","0.1503","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012070","30.3799","0.0009","11.2402","0.0003","11.5366","0.0003","90","","105.961","0.001","90","","3787.6","0.18","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 N6 Ni2 O16.5 V4 -","- C30 H24 N6 Ni2 O16.5 V4 -","- C120 H96 N24 Ni8 O66 V16 -","4","0.5","BR1320","Yang, Lan; Hu, Changwen; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O","Acta Crystallographica Section C","2001","57","7","799","801","10.1107/S0108270101006229","","","0.7107","MoKα","","","0.0422","","","","0.1141","","","","","","1.399","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012071","7.8249","0.0008","7.493","0.0007","16.9248","0.0017","90","","90","","105.041","0.011","958.34","0.17","298","","298","","","","","","","","","3","P 1 1 21","P 2c","4","","strontium magnesium tetrafluoride","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","BR1328","Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro","Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","7","784","786","10.1107/S0108270101006667","","","0.71073","MoKα","","0.048","0.044","","0.039","","0.037","","","3.203","","","3.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012072","9.9329","0.0012","15.8778","0.0011","11.8793","0.001","90","","112.2","0.003","90","","1734.6","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 Ni O2 -","- C19 H20 N2 Ni O2 -","- C76 H80 N8 Ni4 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [<i>N</i>,<i>N</i>'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.036","","","","0.106","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012073","9.7452","0.0012","17.2276","0.0014","11.3606","0.001","90","","112.981","0.003","90","","1755.9","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N2 O2 -","- C19 H20 Cu N2 O2 -","- C76 H80 Cu4 N8 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [<i>N</i>,<i>N</i>'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.038","","","","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012074","13.318","0.001","15.217","0.002","17.965","0.001","90","","90","","90","","3640.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","azaadamantanone","2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C168 H152 N24 O40 -","8","1","DA1181","Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor","2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one","Acta Crystallographica Section C","2001","57","7","868","869","10.1107/S0108270101007612","","","0.71073","MoKα","","0.098","0.058","","","","0.133","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012075","16.997","0.002","8.441","0.001","17.763","0.001","90","","92.57","0.01","90","","2545.9","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Amarisolide Monohydrate","2β-O-β-D-glucopyranosyl neo-cleroda-2,13(16),14-trien-15,16-epoxy- 18,19-olide","","- C26 H38 O10 -","- C26 H38 O10 -","- C104 H152 O40 -","4","1","DA1187","Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge","Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane","Acta Crystallographica Section C","2001","57","7","846","847","10.1107/S0108270101006217","","","0.71073","MoKα","","0.109","0.0616","","","","0.1434","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012076","4.86","0.006","7.603","0.01","13.242","0.002","85.47","0.01","84.06","0.02","75.19","0.01","469.8","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","lactosyl acetamide","β-1-N-Acetamido-(4-O-β-D-galactopyranosyl)-D-glucopyranose dihydrate","","- C14 H29 N O13 -","- C14 H29 N O13 -","- C14 H29 N O13 -","1","1","DE1160","Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu","β-1-Acetamido-4-<i>O</i>-β-<small>D</small>-galactopyranosyl-<small>D</small>-glucopyranose dihydrate","Acta Crystallographica Section C","2001","57","7","825","826","10.1107/S0108270101004796","","","0.71073","MoKα","","0.0282","0.0269","","","","0.0719","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012077","10.046","0.0008","12.4964","0.001","12.7901","0.001","92.488","0.002","110.247","0.002","99.408","0.002","1477.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane nickel(II) 1,2-phenylenebis(oxamato)cuprate(II) dihydrate","","- C26 H44 N6 Ni2 O8 -","- C26 H41 N6 Ni2 O8 -","- C52 H82 N12 Ni4 O16 -","2","1","DE1170","Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A novel hydrogen-bonded microporous framework constructed from two different metal complexes","Acta Crystallographica Section C","2001","57","7","807","809","10.1107/S0108270101006849","","","0.71073","MoKα","","0.0398","0.0322","","","","0.0913","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012078","6.75","0.001","10.839","0.001","14.858","0.001","80.537","0.002","88.717","0.001","73.409","0.002","1027.28","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","compound 1","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C38 H36 B4 Cl4 Cr2 N4 O6 -","2","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0416","0.0311","","","","0.0763","","","","","","0.816","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012079","25.666","0.001","7.029","0.0003","25.366","0.001","90","","112.907","0.002","90","","4215.3","0.3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","compound 2","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C152 H144 B16 Cl16 Cr8 N16 O24 -","8","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0438","0.0341","","","","0.087","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012080","8.5979","0.0009","10.109","0.001","18.9828","0.0018","90","","90","","90","","1649.9","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","FG1630","Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T.","The lack of <i>C</i>2 molecular symmetry in (1<i>R</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol","Acta Crystallographica Section C","2001","57","7","844","845","10.1107/S0108270101006199","","","0.71073","MoKα","","0.0393","0.0329","","","","0.079","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012081","6.3867","0.0005","20.9583","0.0017","7.1413","0.0006","90","","100.272","0.005","90","","940.57","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","perfluoronaphthalene-tolan","Octafluoronaphthalene-diphenylacetylene (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","FG1634","Collings, Jonathan C.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒diphenylacetylene (1/1)","Acta Crystallographica Section C","2001","57","7","870","872","10.1107/S0108270101007557","","","0.71073","MoKα","","0.047","0.038","","","","0.089","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012082","8.841","0.003","6.283","0.003","14.646","0.004","90","","103.45","0.02","90","","791.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gibberic acid monohydrate","1,7-dimethyl-8-oxo-4bα,7α-gibba-1,3,4a(10a)-triene-10β-carboxylic acid monohydrate","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","FR1327","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~","Acta Crystallographica Section C","2001","57","7","841","843","10.1107/S0108270101006059","","","0.71073","MoKα","","0.068","0.041","","","","0.084","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012083","8.2527","0.0013","7.3864","0.0012","8.5085","0.0014","90","","108.947","0.002","90","","490.56","0.14","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate","","- C4 H10 Co K N2 O7 -","- C4 H10 Co K N2 O7 -","- C8 H20 Co2 K2 N4 O14 -","2","0.5","FR1331","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.","Potassium bis(carbonato-<i>O</i>,<i>O</i>')(ethylenediamine-<i>N</i>,<i>N</i>')cobaltate(III) monohydrate at 173K","Acta Crystallographica Section C","2001","57","7","802","803","10.1107/S0108270101006692","","","0.71073","MoKα","","0.0221","0.0208","","","","0.0573","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012084","9.45","0.002","13.689","0.003","6.439","0.001","90","","103.35","0.03","90","","810.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.065","0.047","","","","0.132","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012085","7.881","0.002","26.354","0.005","7.297","0.002","90","","102.04","0.03","90","","1482.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine 4-aminobenzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.077","0.048","","","","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012086","17.5109","0.0009","9.5222","0.0005","10.3232","0.0005","90","","90","","90","","1721.31","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylplumbane","","- C15 H10 Pb S5 -","- C15 H10 Pb S5 -","- C60 H40 Pb4 S20 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012087","17.3574","0.0005","9.227","0.0002","10.3775","0.0002","90","","90","","90","","1662.03","0.07","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane","","- C15 H10 S5 Sn -","- C15 H10 S5 Sn -","- C60 H40 S20 Sn4 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.032","0.028","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012088","10.654","0.002","10.0701","0.0008","10.262","0.0009","91.446","0.0008","109.639","0.002","112.649","0.002","941.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-chloromethylbis(tricyclohexylphosphine)platinum(II)","","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","1","0.5","GG1050","Otto, Stefanus","<i>trans</i>-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II)","Acta Crystallographica Section C","2001","57","7","793","795","10.1107/S0108270101006035","","","0.71073","MoKα","","0.041","0.034","","","","0.076","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012089","8.169","0.002","11.042","0.003","13.745","0.004","90","","101.89","0.01","90","","1213.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(N,N-Dimethylamino)-biphenyl-2'-carboxaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.067","0.051","","","","0.126","","","","","","1.08","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012090","14.161","0.003","27.913","0.006","6.7018","0.0013","90","","90","","90","","2649.1","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.074","0.044","","","","0.1","","","","","","0.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012091","7.265","0.001","8.361","0.001","8.885","0.001","74.95","0.01","86.04","0.01","77.87","0.01","509.49","0.11","130","2","","","","","","","","","","7","P 1","P 1","1","","","","- C5 H11 Cl2 N O2 Pt S -","- C5 H11 Cl2 N O2 Pt S -","- C10 H22 Cl4 N2 O4 Pt2 S2 -","2","2","GG1053","Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes","Dichloro(<small>D</small>-methionine-<i>N</i>,<i>S</i>)platinum(II) at 130K","Acta Crystallographica Section C","2001","57","7","804","806","10.1107/S0108270101006874","","","0.71069","MoKα","","","0.038","","","","0.097","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012092","14.343","0.002","12.778","0.003","7.798","0.002","90","","102.772","0.018","90","","1393.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium tetrathiocyanatoargentate","Tripotassium tetrathiocyanatosilver(I)","","- C4 Ag K3 N4 S4 -","- C4 Ag K3 N4 S4 -","- C16 Ag4 K12 N16 S16 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.046","0.027","","","","0.059","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012093","9.8701","0.0006","20.0893","0.0008","10.6229","0.0007","90","","105.494","0.008","90","","2029.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrapotassium hexathiocyanatodiargentate","Tetrapotassium di-μ-thiocyanato-S:S-bis[dicyanatosilver(I)]","","- C6 Ag2 K4 N6 S6 -","- C6 Ag2 K4 N6 S6 -","- C24 Ag8 K16 N24 S24 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.56087","AgKα","","0.039","0.035","","","","0.085","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012094","17.9382","0.0014","10.7801","0.0008","6.6879","0.0006","90","","90","","90","","1293.28","0.18","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium dithiocyanatoargentate","Potassium [silver(I)-di-μ-thiocyanato-S:S]","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.023","0.02","","","","0.046","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012095","17.444","0.002","9.6329","0.0009","12.68","0.001","90","","110.245","0.002","90","","1999.1","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Pyridyl)-1,3-dithiane-2-thione","","- C9 H9 N S3 -","- C9 H9 N S3 -","- C72 H72 N8 S24 -","8","2","JZ1452","Alan Hazell, Alan; McKenzie, Christine J.; Nielsen, Jimmi","5-(2-Pyridyl)-1,3-dithiane-2-thione","Acta Crystallographica Section C","2001","57","7","859","860","10.1107/S0108270101008198","","","0.71073","MoKα","","","0.024","","","","0.034","","","","","","1.269","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012096","17.561","0.002","16.728","0.003","17.408","0.006","90","","102.42","0.02","90","","4994","2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-(octacarbonyl-μ-dicyclohexylphosphido-dirhenium)- dicarbonyl-platinum","","- C42 H44 O18 P2 Pt Re4 -","- C42 H44 O18 P2 Pt Re4 -","- C168 H176 O72 P8 Pt4 Re16 -","4","1","JZ1465","Haupt, Hans-Jürgen; Flörke, Ulrich; Klose, Stefanie","A pseudo-trigonal bipyramidally coordinated Pt atom in dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II)","Acta Crystallographica Section C","2001","57","7","810","811","10.1107/S0108270101007399","","","0.71073","MoKα","","0.1606","0.0592","","","","0.1698","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012097","7.8578","0.0005","5.4516","0.0006","12.8276","0.0007","90","","94.73","0.04","90","","547.63","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-alanine alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","LN1115","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz","Strong hydrogen-bonded amino acid dimers in <small>L</small>-alanine alaninium nitrate","Acta Crystallographica Section C","2001","57","7","838","840","10.1107/S0108270101006072","","","0.71073","MoKα","","0.038","0.029","","","","0.083","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012098","9.2559","0.0008","10.9527","0.0009","11.6466","0.001","62.867","0.002","71.01","0.002","78.653","0.002","991.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C48 H36 Cl2 N2 O4 -","2","1","NA1498","Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.","3-(<i>p</i>-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one","Acta Crystallographica Section C","2001","57","7","819","820","10.1107/S0108270101003997","","","0.71073","MoKα","","0.1031","0.0646","","","","0.1911","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012099","8.6326","0.0009","13.119","0.001","15.505","0.004","90","","96.19","0.01","90","","1745.7","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","NA1513","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","Ketazolam","Acta Crystallographica Section C","2001","57","7","848","850","10.1107/S0108270101006175","","","0.71073","MoKα","","","0.046","","","","0.1317","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012100","12.4311","0.0014","8.4379","0.0005","26.5719","0.0018","90","","100.115","0.004","90","","2743.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 O6 -","- C34 H36 O6 -","- C136 H144 O24 -","4","1","NA1514","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","<i>p</i>-Methyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","7","833","834","10.1107/S0108270101005753","","","0.71073","MoKα","","0.1579","0.0765","","","","0.1878","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012101","17.1481","0.0002","17.3909","0.0001","15.8023","0.0003","90","","112.849","0.001","90","","4342.79","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine- 1,8(2H,5H)-dione","","- C24 H28 F N O2 -","- C24 H28 F N O2 -","- C192 H224 F8 N8 O16 -","8","2","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","0.71073","MoKα","","0.153","0.064","","","","0.188","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012102","27.454","0.001","12.2738","0.001","16.2792","0.001","90","","123.118","0.01","90","","4594.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione","","- C26 H32 F N O2 -","- C26 H32 F N O2 -","- C208 H256 F8 N8 O16 -","8","1","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","1.5418","CuKα","","0.074","0.051","","","","0.196","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012103","26.625","0.005","7.863","0.002","10.23","0.002","90","","90","","90","","2141.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","melaminium di-p-phenolsulfonate dihydrate","2,4,6-triamino-1,3,5-triazine-1,3-diium bis(4-hydroxybenzenesulfonate) dihydrate","","- C15 H22 N6 O10 S2 -","- C15 H22 N6 O10 S2 -","- C60 H88 N24 O40 S8 -","4","0.5","NA1522","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium bis(4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2001","57","7","873","875","10.1107/S0108270101007600","","","0.71073","MoKα","","0.068","0.036","","","","0.098","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012104","10.559","0.004","11.658","0.004","23.169","0.007","90","","100.54","0.03","90","","2803.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0669","0.0459","","","","0.1304","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012105","10.546","0.001","11.844","0.001","21.985","0.003","90","","101.25","0.01","90","","2693.3","0.5","160","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C120 H112 N8 O20 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0661","0.0422","","","","0.1099","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012106","10.5361","0.001","24.04","0.003","10.6146","0.001","90","","93.863","0.01","90","","2682.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C29 H25 Cl N2 O4 S2 -","- C29 H25 Cl N2 O4 S2 -","- C116 H100 Cl4 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.1208","0.0493","","","","0.1084","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012107","20.1931","0.0005","20.2156","0.0004","23.199","0.0004","90","","90","","90","","9470.2","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride","","- C39 H72 Cl2 N6 S3 Te -","- C39 H72 Cl2 N6 S3 Te -","- C312 H576 Cl16 N48 S24 Te8 -","8","1","SK1475","Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu","Chlorotris(<i>N</i>,<i>N</i>'-dicyclohexylthiourea-<i>S</i>)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere","Acta Crystallographica Section C","2001","57","7","854","856","10.1107/S010827010100659X","","","0.71073","MoKα","","0.076","0.03","","","","0.066","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012108","7.0956","0.0014","19.035","0.004","15.312","0.003","90","","100.61","0.03","90","","2032.8","0.7","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","SK1476","Coe, Benjamin J.; Harris, James A.; Coles, Simon J.; Hursthouse, Michael B.","<i>trans</i>-4-[(4-Dimethylaminophenyl)iminomethyl]-<i>N</i>-methylpyridinium <i>para</i>-toluenesulfonate","Acta Crystallographica Section C","2001","57","7","857","858","10.1107/S0108270101008009","","","0.71073","MoKα","","","0.0487","","","","0.1145","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012109","5.183","0.0005","15.22","0.003","29.63","0.01","90","","90","","90","","2337.4","0.9","295","3","295","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate","","- C22 H28 N4 O5 S -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","SK1478","Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen","Intermolecular contacts in the crystal packing of 2,2'-(<i>N</i>,<i>N</i>'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","7","865","867","10.1107/S0108270101007041","","","1.54178","CuKα","","0.0828","0.0431","","","","0.12","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012110","9.568","0.002","11.567","0.003","14.01","0.004","83.37","0.02","80.69","0.05","72.08","0.03","1452.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-Benzylidenebis(4-hydroxy-5,7-dimethyl-2H-chromen-2-one)piperidine(1:1) or 3, 3'-(phenylmethylene)bis[4-hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one] piperidine(1:1) or 3, 3'-Benzylidenebis(5,7-dimethyl-4-hydroxycoumarin)","","- C34 H35 N O6 -","- C34 H35 N O6 -","- C68 H70 N2 O12 -","2","1","VJ1122","Vijayalakshmi, L.; Parthasarathi, V.; Vipul, Vora; Bhavik, Desai; Anamik, Shah","Piperidinium 3-[(4-hydroxy-5,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)phenylmethyl]-5,7-dimethyl-2-oxo-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section C","2001","57","7","817","818","10.1107/S010827010100364X","","","0.71073","MoKα","","0.0583","0.0456","","","","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012111","8.8173","0.0014","10.8916","0.0017","11.2986","0.0017","115.254","0.003","99.964","0.003","106.135","0.003","888","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","Bis[chloro(1-(2-hydroxybenzyl)-1,5-diazacyclooctane) zinc(II) acetone]","","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","1","0.5","BJ1029","Xu, Qiang; Du, Miao; Guo, Ya-Mei; Bu, Xian-He","Bis{μ-2-[(1,5-diaza-1-cyclooctyl)methyl]phenolato-<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>}bis[chlorozinc(II)] diacetone solvate: design of a square-pyramidal ZnN~2~O~2~Cl complex","Acta Crystallographica Section C","2001","57","8","893","894","10.1107/S0108270101007004","","","0.71073","MoKα","","","0.0298","","","","0.075","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012112","11.9647","0.0011","8.3276","0.0007","7.6054","0.0007","90","","90","","90","","757.78","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","isonipecotic acid","4-piperidinecarboxylic acid","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1590","Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali","Zwitterionic 4-piperidinecarboxylic acid monohydrate","Acta Crystallographica Section C","2001","57","8","965","967","10.1107/S0108270101007958","","","0.71073","MoKα","","0.038","0.037","","","","0.101","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012113","7.0958","0.0013","16.05","0.003","16.856","0.004","90","","90","","90","","1919.7","0.7","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-bromo-4β,6-dihydro-1β-isopropyl-4α-methoxycarbonyl-3aα,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one]","","- C20 H25 Br O5 -","- C20 H25 Br O5 -","- C80 H100 Br4 O20 -","4","1","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0476","0.0404","","","","0.1071","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012114","10.0979","0.0001","20.5473","0.0002","10.7452","0.0001","90","","106.685","0.001","90","","2135.6","0.04","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-bromo-5-(2'α-carboxymethyl-5'α-isopropyl-2'β-methyl)-3-imono- 7-methyl-2,3-dihydrobenzopyran-4-one","","- C21 H28 Br N O4 -","- C21 H28 Br N O4 -","- C84 H112 Br4 N4 O16 -","4","2","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0434","0.0295","","","","0.0649","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012115","16.647","0.003","16.385","0.003","8.053","0.0016","90","","98.08","0.03","90","","2174.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(Isothiocyanato-(2,2'-Bipyridine))-nickel(ii)","","- C22 H16 N6 Ni S2 -","- C22 H16 N6 Ni S2 -","- C88 H64 N24 Ni4 S8 -","4","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.11","0.063","","","","0.205","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012116","13.018","0.003","10.116","0.002","17.536","0.004","90","","90","","90","","2309.3","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(Isothiocyanato-(1,10-Phenanthroline))-nickel(ii)","","- C26 H16 N6 Ni S2 -","- C26 H16 N6 Ni S2 -","- C104 H64 N24 Ni4 S8 -","4","0.5","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.094","0.029","","","","0.091","","","","","","0.968","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012117","9.689","0.001","10.757","0.001","14.754","0.001","77.71","0.01","79","0.01","70.07","0.01","1400.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(Isothiocyanato-(2,9-dimethyl-1,10-phenanthroline))-nickel(ii) hydrate","","- C30 H26 N6 Ni O S2 -","- C30 H24 N6 Ni O0.404 S2 -","- C60 H48 N12 Ni2 O0.808 S4 -","2","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.071","0.04","","","","0.081","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012118","9.7411","0.0009","7.5931","0.0007","17.444","0.002","90","","112.682","0.008","90","","1190.5","0.2","293","1","293","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","pyrrole-2-thiocarboxamide","1H-pyrrole-2-carbothioamide","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","BM1450","Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J.","1<i>H</i>-Pyrrole-2-carbothioamide","Acta Crystallographica Section C","2001","57","8","987","988","10.1107/S0108270101008423","","","0.71069","Mo-Kα","","0.047","0.035","","","0.092","0.102","","","","1.086","1.086","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012119","11.9794","0.0018","8.9951","0.0013","10.0786","0.0016","90","","101.557","0.003","90","","1064","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (I)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-<i>N</i>-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.063","0.044","","","","0.116","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012120","22.652","0.012","9.728","0.007","10.269","0.005","90","","97.29","0.04","90","","2245","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (II)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","2","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-<i>N</i>-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.165","0.052","","","","0.169","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012121","5.1456","0.0005","6.0794","0.0005","5.1291","0.0006","90","","108.859","0.008","90","","151.84","0.03","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Li3 O4 Sb -","- Li3 O4 Sb -","- Li6 O8 Sb2 -","2","0.5","BR1318","Bernès, Sylvain; Trujillo Tovar, Sonia; Castellanos R., María A.","A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement","Acta Crystallographica Section C","2001","57","8","883","884","10.1107/S0108270101007569","","","0.71073","MoKα","","0.0163","0.0149","","","","0.0355","","","","","","1.043","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012122","17.123","0.008","17.123","0.008","12.255","0.006","90","","90","","90","","3593","3","20","2","20","2","","","","","","","","5","I -4","I -4","82","Dodecanuclear mixed-1valence manganese carboxylate","tetraaquahexadecaacetatododecaoxododecamanganese bis(acetic acid) tetrahydrate","","- C36 H18 D54 Mn12 O56 -","- C36 H18 D54 Mn12 O56 -","- C72 H36 D108 Mn24 O112 -","2","0.25","BR1327","Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George","A low-temperature neutron diffraction study of Mn~12~-acetate","Acta Crystallographica Section C","2001","57","8","909","910","10.1107/S0108270101008599","","neutron","0.8405","neutron","","0.095","0.089","","","","0.209","","","","","","1.57","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012123","16.131","0.007","18.07","0.008","14.349","0.006","90","","91.95","0.02","90","","4180","3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3- carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","2","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.5","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012124","22.466","0.008","24.859","0.009","6.906","0.003","90","","90","","90","","3857","3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","1","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.72","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012125","12.343","0.002","5.273","0.001","26.029","0.007","90","","101.54","0.02","90","","1659.8","0.6","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 S5 -","- C17 H10 S5 -","- C68 H40 S20 -","4","1","FR1325","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenyl[1,3]dithiolo[4,5-<i>b</i>]dithiine-2-thione","Acta Crystallographica Section C","2001","57","8","926","928","10.1107/S0108270101006679","","","1.5418","CuKα","","","0.0575","","","","0.1493","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012126","7.64","0.002","8.606","0.006","30.307","0.017","90","","90.25","0.03","90","","1992.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1330","Caignan, Gregori A.; Holt, Elizabeth M.","Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization","Acta Crystallographica Section C","2001","57","8","934","935","10.1107/S0108270101006916","","","0.71073","MoKα","","0.1092","0.0569","","","","0.1131","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012127","7.043","0.001","28.741","0.006","5.94","0.001","90","","103.06","0.03","90","","1171.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[aqua copper(II)-μ-(1-oxido-N-naphthylideneglycinato-O,N,O':O')]","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","1","GD1148","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[aquacopper(II)-μ-[<i>N</i>-(1-oxido-2-naphthylmethylene)glycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]","Acta Crystallographica Section C","2001","57","8","889","890","10.1107/S0108270101006060","","","0.71073","MoKα","","0.039","0.034","","","","0.099","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012128","12.6464","0.0003","8.4615","0.0002","10.4323","0.0002","90","","96.578","0.001","90","","1108.99","0.04","120","0.2","120","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2,3-tris-(1'-hydroxycyclopropyl)cyclopropane","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","GD1150","Yufit, Dmitrii S.; Howard, Judith A.K.; Kozhushkov, Sergei I.; Kostikov, Rafael R.; de Meijere, Armin","<i>trans</i>-1,2,3-Tris(1-hydroxycyclopropyl)cyclopropane","Acta Crystallographica Section C","2001","57","8","968","969","10.1107/S010827010100796X","","","0.71073","MoKα","","0.0553","0.0419","","","","0.1034","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012129","12.85","0.002","25.824","0.007","13.308","0.002","90","","105.77","0.01","90","","4249.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)]0.5(CH~2~Cl~2~)","8-methoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane hemisolvate","","- C37.5 H45 B10 Cl O P2 Pt -","- C37.5 H45 B10 Cl O P2 Pt -","- C150 H180 B40 Cl4 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.055","0.037","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012130","11.114","0.003","21.634","0.008","18.99","0.008","90","","103.75","0.03","90","","4435","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","8-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71073","MoKα","","0.164","0.069","","","","0.238","","","","","","1.375","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012131","13.435","0.003","17.864","0.004","19.383","0.004","90","","105.94","0.02","90","","4473.1","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-9-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","9-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.057","0.035","","","","0.096","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012132","8.163","0.0011","16.3957","0.001","11.5686","0.0014","90","","98.622","0.011","90","","1530.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3-Co{η^5^-(2,5-(CH~3~)~2~-NC~4~H~2~)}-1-CH~3~-1,2-C~2~B~9~H~10~]","","- C9 H21 B9 Co N -","- C9 H21 B9 Co N -","- C36 H84 B36 Co4 N4 -","4","1","GD1152","Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III)","Acta Crystallographica Section C","2001","57","8","900","901","10.1107/S0108270101007971","","","0.71069","MoKα","","0.0474","0.0302","","","","0.0767","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012133","9.6165","0.0007","9.0032","0.0007","9.6231","0.0007","90","","90.951","0.002","90","","833.05","0.11","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","beryllophosphate gismondine","","","- C H5 Be N O4 P -","- C H5 Be N O4 P -","- C8 H40 Be8 N8 O32 P8 -","8","1","GD1154","Harrison, William T. A.","[H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine","Acta Crystallographica Section C","2001","57","8","891","892","10.1107/S0108270101006928","","","0.71073","MoKα","","0.048","0.035","","","","0.093","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012134","5.903","0.0012","27.549","0.006","23.371","0.005","90","","101.22","0.03","90","","3728","1.4","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine-sebacic acid","Decanedioic acid-1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decane (1/1)","","- C16 H30 N4 O4 -","- C16 H30 N4 O4 -","- C128 H240 N32 O32 -","8","2","GG1054","Gardon, Manuel; Schönleber, Andreas; Chapuis, Gervais; Hostettler, Marc; Bonin, Michel","The lock-in phase in the urotropine‒sebacic acid system","Acta Crystallographica Section C","2001","57","8","936","938","10.1107/S0108270101007028","","","0.71073","MoKα","","0.111","0.057","","","","0.064","","","","","","1.625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012135","10.9948","0.001","9.6922","0.001","21.381","0.005","90","","94.815","0.01","90","","2270.4","0.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","1,2-bis(N-fluoro-p-toluenesulfonamido)ethane","","- C17 H19 Cl3 F2 N2 O4 S2 -","- C17 H19 Cl3 F2 N2 O4 S2 -","- C68 H76 Cl12 F8 N8 O16 S8 -","4","1","GG1055","Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G.","1,2-Bis(<i>N</i>-fluoro-<i>p</i>-toluenesulfonamido)ethane chloroform solvate","Acta Crystallographica Section C","2001","57","8","970","972","10.1107/S0108270101007983","","","0.71073","MoKα","","0.092","0.05","","","","0.142","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012136","8.2903","0.0002","12.0158","0.0002","13.835","0.0003","75.6616","0.001","79.4036","0.0011","84.9664","0.0009","1311.18","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Tetrakis(dimethylamido)vanadium","","- C8 H24 N4 V -","- C8 H24 N4 V -","- C32 H96 N16 V4 -","4","2","GG1056","Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip","Tetrakis(dimethylamido)vanadium(IV)","Acta Crystallographica Section C","2001","57","8","902","904","10.1107/S0108270101008368","","","0.71073","MoKα","","","0.0325","","","","0.0431","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012137","7.0529","0.0002","8.1852","0.0002","8.745","0.0006","63.365","0.002","89.575","0.002","88.637","0.003","451.14","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)dionato]sodium","","- C5 H9 N4 Na O5 -","- C5 H9 N4 Na O5 -","- C10 H18 N8 Na2 O10 -","2","1","GG1058","Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher","[6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","8","918","921","10.1107/S010827010100720X","","","0.71073","MoKα","","0.071","0.049","","","","0.136","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012138","12.7129","0.0002","11.2067","0.0001","11.6822","0.0002","90","","109.578","0.001","90","","1568.14","0.04","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O -","- C15 H20 N4 O -","- C60 H80 N16 O4 -","4","1","GG1059","Lüning, Ulrich; Kühl, Christine; Bolte, Michael","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea","Acta Crystallographica Section C","2001","57","8","989","990","10.1107/S0108270101008605","","","0.71073","MoKα","","0.084","0.05","","","","0.136","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012139","21.4097","0.0003","6.1559","0.0006","10.0605","0.0013","90","","90","","90","","1325.9","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","1","GG1060","Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure","Acta Crystallographica Section C","2001","57","8","949","951","10.1107/S0108270101008940","","","0.71073","MoKα","","0.0605","0.0471","","","","0.1199","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012140","9.7191","0.0003","11.3281","0.0004","17.5549","0.0007","78.697","0.0016","87.81","0.0015","75.772","0.002","1837.05","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4-pyridyl)ethane (1/1)","","- C48 H42 Fe N2 O2 -","- C48 H42 Fe N2 O2 -","- C96 H84 Fe2 N4 O4 -","2","1","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1134","0.051","","","","0.1247","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012141","9.8551","0.0002","11.7183","0.0002","27.681","0.0005","82.3495","0.0008","84.4918","0.0008","73.4846","0.0008","3031.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-diaminoethane (1/1)","","- C38 H38 Fe N2 O2 -","- C38 H37.744 Fe N2 O2 -","- C152 H150.976 Fe4 N8 O8 -","4","2","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1148","0.05","","","","0.1234","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012142","7.806","0.001","7.806","0.001","14.867","0.002","90","","90","","120","","784.53","0.18","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0197","0.0197","","","","0.0552","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012143","7.7724","0.0004","7.7724","0.0004","14.763","0.002","90","","90","","120","","772.35","0.12","10.5","0.5","10.5","0.5","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0213","0.0213","","","","0.0614","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012144","10.4122","0.0011","4.7567","0.0008","11.6778","0.0016","90","","108.168","0.01","90","","549.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(methoxycarbonylmethyl)oxalamide","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","JZ1454","Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Dimethyl <i>N</i>,<i>N</i>'-oxalamidodiethanoate","Acta Crystallographica Section C","2001","57","8","932","933","10.1107/S0108270101006965","","","1.54178","CuKα","","0.0602","0.0565","","","","0.1548","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012145","9.906","0.004","12.528","0.005","13.991","0.005","90","","105.44","0.04","90","","1673.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[(2-Methoxycarbonyl-1-methoxycarbonylmethyl-4-pyrrolyl)methylene]- propanedioate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","JZ1455","Lokaj, Jan; Kettmann, Viktor; Milata, Viktor; Hodul, Pavol; Kottaš, Peter; Petrov, Ognyan","Dimethyl 2-{[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene}propanedioate","Acta Crystallographica Section C","2001","57","8","973","974","10.1107/S0108270101008204","","","0.71073","MoKα","","0.0801","0.0585","","","","0.1967","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012146","9.325","0.001","9.662","0.001","15.619","0.002","90","","90","","90","","1407.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C13 H16 N O5 P -","- C13 H16 N O5 P -","- C52 H64 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.0853","0.0636","","","","0.1574","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012147","11.071","0.001","16.19","0.002","8.49","0.001","90","","90","","90","","1521.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-methyl-2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C56 H72 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.041","0.0336","","","","0.0965","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012148","7.114","0.002","7.38","0.002","10.849","0.004","96.68","0.02","97.49","0.02","100.54","0.02","549.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.067","0.038","","","","0.101","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012149","3.823","0.001","23.014","0.008","25.437","0.009","90","","92.73","0.03","90","","2235.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","2","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.195","0.066","","","","0.124","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012150","11.3148","0.0008","14.2488","0.0005","15.3512","0.0011","84.28","0.004","69.132","0.002","79.683","0.004","2273.5","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C100 H136 O12 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1069","0.0608","","","","0.1579","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012151","10.6466","0.0005","11.0343","0.0007","15.1801","0.0007","90","","105.842","0.003","90","","1715.59","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","0.5","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0704","0.0446","","","","0.1123","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012152","23.232","0.0015","9.0186","0.0003","19.6065","0.0012","90","","108.819","0.002","90","","3888.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O8 -","- C44 H56 O8 -","- C176 H224 O32 -","4","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1171","0.0571","","","","0.1444","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012153","8.6669","0.0006","13.7665","0.0011","16.8072","0.0009","113.671","0.004","94.723","0.004","97.119","0.003","1803.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 O9 -","- C42 H50 O9 -","- C84 H100 O18 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0952","0.0546","","","","0.1353","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012154","7.726","0.002","8.057","0.003","14.352","0.006","90","","90","","90","","893.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diisopropylammonium hydrogen difluoroide","","- C6 H17 F2 N -","- C6 H17 F2 N -","- C24 H68 F8 N4 -","4","1","NA1527","Reiss, Guido J.","Diisopropylammonium hydrogen difluoride","Acta Crystallographica Section C","2001","57","8","994","995","10.1107/S0108270101008836","","","0.71073","MoKα","","0.04","0.0298","","","","0.0709","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012155","13.173","0.003","10.424","0.002","19.435","0.004","90","","99.76","0.03","90","","2630.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Cr I N8 -","- C32 H16 Cr I N8 -","- C128 H64 Cr4 I4 N32 -","4","1","NA1528","Janczak, Jan; Idemori, Ynara Marina","Iodo(phthalocyaninato)chromium(III)","Acta Crystallographica Section C","2001","57","8","924","925","10.1107/S0108270101009076","","","0.71073","MoKα","","0.1448","0.0497","","","","0.0485","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012156","9.145","0.002","9.427","0.002","9.889","0.002","85.19","0.03","82.64","0.03","62.45","0.03","749.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(N,N-diphenylamino)benzoic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","SK1456","Boużyk, Anna; Konitz, Antoni; Błażejowski, Jerzy","2-(<i>N</i>,<i>N</i>-Diphenylamino)benzoic acid","Acta Crystallographica Section C","2001","57","8","985","986","10.1107/S0108270101008459","","","0.71073","MoKα","","0.176","0.044","","","","0.151","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012157","6.266","0.001","7.775","0.001","14.53","0.001","76.475","0.004","87.682","0.004","84.684","0.004","685.15","0.15","293","","293","","","","","","","","","2","P -1","-P 1","2","","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","SK1477","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; Boer, Jan L. de; Palstra, Thomas T.M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","0.71073","MoKα","","0.2265","0.0685","","","","0.1785","","","","","","0.943","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012158","6.239","0.001","7.636","0.001","14.33","0.002","76.978","0.003","88.136","0.003","84.415","0.003","661.94","0.17","90","","90","1","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2012159","7.1647","0.0004","7.9572","0.0004","8.0489","0.0005","67.905","0.003","86.956","0.003","65.744","0.002","384.84","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C12 H10 I2 N4 O4 -","2","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.0535","0.046","","","","0.12","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012160","7.4215","0.0005","12.6755","0.0009","16.4638","0.0011","90","","90","","90","","1548.77","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.1376","0.0631","","","","0.1798","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012161","14.7077","0.0005","10.1602","0.0004","6.7878","0.0002","90","","90","","90","","1014.32","0.06","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Nitrodiphenylamine","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","SK1481","McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Hydrogen-bonded chains in <i>N</i>-(2-nitrophenyl)phenylamine","Acta Crystallographica Section C","2001","57","8","946","948","10.1107/S0108270101008010","","","0.71073","MoKα","","0.0568","0.0456","","","","0.111","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012162","5.9217","0.0004","8.9858","0.0005","8.9987","0.0006","61.73","0.003","81.885","0.003","81.448","0.004","415.65","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Dimethylpiperazinium (2+) phosphonoacetate","","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","1","0.5","SK1482","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated <i>R</i>~6~^6^(28) rings","Acta Crystallographica Section C","2001","57","8","952","954","10.1107/S0108270101008022","","","0.71073","MoKα","","0.0777","0.0453","","","","0.1245","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012163","7.736","0.0002","10.2394","0.0004","29.7822","0.0011","90","","90","","90","","2359.11","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Piperazinium(2+) bis(mandelate) bis(methanol) solvate","","- C22 H34 N2 O8 -","- C22 H34 N2 O8 -","- C88 H136 N8 O32 -","4","0.5","SK1483","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate","Acta Crystallographica Section C","2001","57","8","955","957","10.1107/S0108270101007922","","","0.71073","MoKα","","0.127","0.048","","","","0.133","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012164","4.964","0.0015","6.346","0.002","7.336","0.002","90","","107.25","0.02","90","","220.7","0.12","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium 2-nitroethanaloximate","","- C2 H3 N2 Na O3 -","- C2 H3 N2 Na O3 -","- C4 H6 N4 Na2 O6 -","2","0.5","SK1484","Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher","Sodium 2-nitroethanaloximate forms a layered-framework structure","Acta Crystallographica Section C","2001","57","8","922","923","10.1107/S0108270101008125","","","0.71073","MoKα","","0.0778","0.0591","","","","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012165","19.9616","0.0004","13.8047","0.0004","12.1531","0.0003","90","","90.508","0.001","90","","3348.82","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Cl2 Mn2 N9 O13 -","- C20 H48 Cl2 Mn2 N9 O13 -","- C80 H192 Cl8 Mn8 N36 O52 -","4","0.5","SK1485","Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng","A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~)","Acta Crystallographica Section C","2001","57","8","911","913","10.1107/S0108270101008617","","","0.71073","MoKα","","0.0564","0.0493","","","","0.1495","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012166","6.887","0.0014","12.851","0.003","22.462","0.005","90","","90","","90","","1988","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Z-Pro-D-Leu","N-benzyloxycarbonyl-prolyl-D-leucine","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","1","SX1122","Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip","<i>N</i>-Z-Pro‒<small>D</small>-Leu using synchrotron radiation data from a very small crystal","Acta Crystallographica Section C","2001","57","8","975","977","10.1107/S0108270101008319","","","0.8008","synchrotron","","0.0448","0.0364","","","","0.1044","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012167","7.803","0.001","15.353","0.002","6.985","0.001","112.3","0.01","74.44","0.01","111.84","0.01","710.73","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0725","0.0489","","","","0.158","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012168","7.773","0.001","15.315","0.002","6.8347","0.0009","113.249","0.008","73.569","0.009","111.796","0.009","685.2","0.16","10","0.5","10","0.5","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0309","0.0304","","","","0.0853","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012169","9.1535","0.0011","17.337","0.002","16.637","0.002","90","","100.031","0.002","90","","2599.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-phenylthiobis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran) lanthanum(III)] bis(tetrahydrofuran) solvate","","- C52 H70 La2 O4 S2 -","- C52 H70 La2 O4 S2 -","- C104 H140 La4 O8 S4 -","2","0.5","VJ1111","Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong","Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate","Acta Crystallographica Section C","2001","57","8","887","888","10.1107/S0108270100017996","","","0.71073","MoKα","","0.0475","0.0345","","","","0.0972","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012170","9.2347","0.0013","9.6814","0.0013","14.588","0.002","90","","95.948","0.002","90","","1297.2","0.3","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN] (2,2',6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate","","- C26 H20 B F4 N7 O2 Ru -","- C26 H20 B F4 N7 O2 Ru -","- C52 H40 B2 F8 N14 O4 Ru2 -","2","1","VJ1141","Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey","(Nitro-κ<i>N</i>)[2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","8","895","896","10.1107/S0108270101007715","","","0.71073","MoKα","","0.029","0.027","","","","0.068","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012171","8.0486","0.0001","9.6105","0.0001","9.6204","0.0001","60.1766","0.0006","66.7586","0.0007","85.3542","0.0007","586.973","0.013","293","1","293","1","","","","","","","","3","P -1","-P 1","2","TIM","1,3,5-triiodo-2,4,6-trimethylbenzene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","AV1075","Boudjada, Ali; Hernandez, Olivier; Meinnel, Jean; Mani, Mohammed; Paulus, Werner","1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K","Acta Crystallographica Section C","2001","57","9","1106","1108","10.1107/S0108270101010113","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012172","15.743","0.005","17.549","0.006","19.945","0.007","91.051","0.007","108.916","0.006","111.094","0.006","4806","3","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate","","- C68 H80 Cd2 N8 O4 -","- C68 H80 Cd2 N8 O4 -","- C204 H240 Cd6 N24 O12 -","3","1.5","AV1076","Fukin, Georgy K.; Zakharov, Lev N.; Maslennikov, Stanislav V.; Piskunov, Alexander V.; Cherkasov, Vladimir K.","Bis(μ-3,5-di-<i>tert</i>-butylcatecholato-<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^)bis[tris(pyridine-<i>N</i>)cadmium(II)] dipyridine solvate","Acta Crystallographica Section C","2001","57","9","1020","1021","10.1107/S010827010100854X","","","0.71073","MoKα","","0.089","0.05","","","","0.133","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012173","9.563","0.004","9.703","0.004","12.031","0.006","93.99","0.04","105.09","0.04","103.66","0.04","1037.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro- pyridine-3,5-dicarboxylate","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","AV1077","Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan","3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","2001","57","9","1073","1074","10.1107/S0108270101009313","","","0.71069","MoKα","","0.1919","0.0518","","","","0.068","","","","","","0.783","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012174","9.213","0.003","7.761","0.001","10.18","0.002","90","","118.04","0.02","90","","642.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole","","- C2 H2 N6 O4 -","- C2 H2 N6 O4 -","- C8 H8 N24 O16 -","4","1","AV1078","Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Pekhotin, Konstantin V.; Rogozin, Mark V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","5-Nitro-2-nitromethyl-2<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","9","1101","1102","10.1107/S0108270101010125","","","1.5418","CuKα","","0.047","0.038","","","","0.108","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012175","11.1176","0.0001","11.5112","0.0001","17.1203","0.0001","90","","95.346","0.001","90","","2181.47","0.03","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","BJ1032","Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng","On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ^2^<i>N</i>:<i>O</i>]bis{[1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ<i>N</i>]bis(imidazole)copper(II)}","Acta Crystallographica Section C","2001","57","9","1016","1019","10.1107/S0108270101009507","","","0.71073","MoKα","","0.067","0.051","","","","0.139","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012176","14.393","0.005","8.201","0.002","12.606","0.004","90","","113.17","0.02","90","","1368","0.8","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C44 H56 N8 O20 S8 -","4","1","BM1460","Dalluhn, Jörg; Pröhl, Hans-Heinrich; Fischer, Axel K.; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXLV. <i>N</i>-Diethylcarbamoyl-<i>o</i>-benzenedisulfonimide, a urea with non-planar geometry at nitrogen and an amide single bond","Acta Crystallographica Section C","2001","57","9","1109","1111","10.1107/S0108270101010605","","","0.71073","MoKα","","0.0501","0.0403","","","","0.109","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012177","4.8149","0.0003","24.6603","0.0015","6.9111","0.0004","90","","106.418","0.001","90","","787.14","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tin Phenyl Phosphonate","Tin(II) Phenyl Phosphonate","","- C6 H5 O3 P Sn -","- C6 H5 O3 P Sn -","- C24 H20 O12 P4 Sn4 -","4","1","BR1323","Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J.","A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~<i>n~</i>","Acta Crystallographica Section C","2001","57","9","1051","1052","10.1107/S0108270101010034","","","0.71073","MoKα","","0.031","0.029","","","","0.066","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012179","10.539","0.002","10.539","0.002","10.539","0.002","90","","90","","90","","1170.6","0.4","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","tin niobate","Tin niobate","","- Nb1.84 O6.35 Sn1.59 -","- Nb1.84 O6.352 Sn1.5896 -","- Nb14.72 O50.816 Sn12.7168 -","8","0.0416667","BR1329","Cruz, Luisa Paula; Savariault, Jean-Michel; Rocha, João","Pyrochlore-type tin niobate","Acta Crystallographica Section C","2001","57","9","1001","1003","10.1107/S0108270101010320","","","0.71073","MoKα","","0.0341","0.0268","","0.0631","","0.0598","","","0.943","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012180","5.4809","0.0003","5.4804","0.0003","26.5533","0.0016","89.999","0.004","90.245","0.004","89.999","0.005","797.59","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca2 Li Nb3 O10 -","- Ca2 Li Nb3 O10 -","- Ca8 Li4 Nb12 O40 -","4","2","BR1337","Ishizawa, Nobuo; Yamashita, Reiko; Oishi, Shuji; Hester, James R.; Kishimoto, Shunji","A synchrotron X-ray study of triclinic LiCa~2~Nb~3~O~10~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","9","1006","1009","10.1107/S0108270101009453","","","0.75008","synchrotron","","0.059","0.051","","","","0.169","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012181","8.2596","0.0004","6.8752","0.0003","7.1394","0.0003","90","","103.121","0.002","90","","394.84","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl In O3 Te -","- Cl In O3 Te -","- Cl4 In4 O12 Te4 -","4","1","BR1338","Gaudin, Etienne; Chaminade, Jean-Pierre; El Abed, Ahmed; Darriet, Jacques","Indium tellurium trioxide chloride, InTeO~3~Cl","Acta Crystallographica Section C","2001","57","9","1004","1005","10.1107/S0108270101009325","","","0.71073","MoKα","","0.047","0.037","","","","0.093","","","","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012182","5.826","0.0005","5.252","0.0007","5.832","0.0007","90","","113.86","0.02","90","","163.2","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Anhydrous cadmium oxalate","Anhydrous cadmium oxalate","","- C2 Cd O4 -","- C2 Cd O4 -","- C4 Cd2 O8 -","2","0.5","BR1339","Jeanneau, Erwann; Audebrand, Nathalie; Louër, Daniel","β-CdC~2~O~4~","Acta Crystallographica Section C","2001","57","9","1012","1013","10.1107/S0108270101009581","","","0.71073","MoKα","","0.032","0.022","","","","0.055","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012183","5.172","0.003","5.172","0.003","4.141","0.002","90","","90","","120","","95.93","0.09","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yttrium tricopper dialuminium","","- Al2.04 Cu2.96 Y -","- Al2.07 Cu2.942 Y -","- Al2.07 Cu2.942 Y -","1","0.0416667","BR1341","Karim, Kadir; Tetsuo, Sakai; Itsuki, Uehara; Lars, Eriksson","YCu~3~Al~2~, an example of an <i>AB</i>~5~ structure type","Acta Crystallographica Section C","2001","57","9","999","1000","10.1107/S0108270101010009","","","0.71073","MoKα","","0.0218","0.0206","","","","0.0552","","","","","","1.376","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012184","13.849","0.001","7.565","0.001","18.554","0.005","90","","101.9","0.01","90","","1902.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(H-thiamine)bis(tetrafluoroborate)","3-[(4-amino-2-methyl-5-pyrimidinio)methyl]-5-(2-hydroxyethyl)- 4-methylthiazolium(2+) bis(tetrafluoroborate)","","- C12 H18 B2 F8 N4 O S -","- C12 H18 B2 F8 N4 O S -","- C48 H72 B8 F32 N16 O4 S4 -","4","1","DA1186","Hu, Ning-Hai; Aoki, Katsuyuki; Adeyemo, Adegboye O.; Williams, George N.","Host‒guest-like thiamine‒anion complexation in thiaminium bis(tetrafluoroborate)","Acta Crystallographica Section C","2001","57","9","1064","1066","10.1107/S0108270101009222","","","0.71073","MoKα","","0.1332","0.0552","","","","0.124","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012185","15.5712","0.0008","11.5546","0.0006","11.2428","0.0006","90","","97.076","0.001","90","","2007.39","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N7 Ni2 O -","- C9.5 H6.5 N3.5 Ni O0.5 -","- C76 H52 N28 Ni8 O4 -","8","1","DA1188","Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R.","[Ni(terpy)(H~2~O)]-<i>trans</i>-[Ni-(μ-CN)~2~-(CN)~2~]~<i>n~</i>, a one-dimensional linear tetracyanonickelate chain","Acta Crystallographica Section C","2001","57","9","1027","1029","10.1107/S0108270101009234","","","0.71073","MoKα","","0.0549","0.0309","","","","0.0721","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012186","7.445","0.0002","9.52","0.0003","10.939","0.0003","105.051","0.002","103.154","0.002","93.083","0.002","723.8","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","6-dehydroxyjacareubin","1,5-dihydroxy-2^,^,2^,^-dimethylpyrano-5^,^,6^,^:2,3-xanthone","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","DA1189","Doriguetto, Antonio C.; Santos, Marcelo H.; Ellena, Javier A.; Nagem, Tanus J.","6-Deoxyjacareubin","Acta Crystallographica Section C","2001","57","9","1095","1097","10.1107/S0108270101009246","","","0.7107","MoKα","","0.0661","0.0514","","","","0.1502","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012187","22.759","0.005","13.618","0.002","15.813","0.003","90","","104.34","0.01","90","","4748.3","1.6","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetraphenylphosphonium) (trioxalato-O,O')germanate(IV)","","- C54 H40 Ge O12 P2 -","- C54 H40 Ge O12 P2 -","- C216 H160 Ge4 O48 P8 -","4","0.5","DA1190","Dean, Philip A. W.; Dance, Ian G.; Craig, Donald C.; Scudder, Marcia L.","Bis(tetraphenylphosphonium) tris(oxalato-<i>O</i>,<i>O</i>')germanate(IV)","Acta Crystallographica Section C","2001","57","9","1030","1031","10.1107/S0108270101009258","","","1.5418","CuKα","","","0.034","","","","0.05","","","","","","1.78","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012188","10.906","0.002","8.052","0.004","17.195","0.003","90","","95.98","0.02","90","","1501.8","0.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-oxa-1-decalinol p-bromobenzoate","cis-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.322","0.042","","","","0.109","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012189","9.643","0.002","10.679","0.002","8.772","0.002","96.32","0.02","111.32","0.02","110.49","0.02","758.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","trans-4-oxa-1-decalinol p-bromobenzoate","trans-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C32 H38 Br2 O6 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.165","0.039","","","","0.13","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012190","11.914","0.003","13.144","0.003","6.922","0.002","96.06","0.02","106.22","0.02","100.42","0.03","1009.6","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-cis-4-aza-1-decalinol p-bromobenzoate","N-benzyl-cis-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.207","0.04","","","","0.11","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012191","9.561","0.002","9.822","0.002","13.202","0.003","78.34","0.02","78.21","0.02","61.92","0.03","1062.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-trans-4-aza-1-decalinol p-bromobenzoate","N-benzyl-trans-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.074","0.046","","","","0.135","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012192","8.886","0.002","5.3714","0.0009","16.599","0.003","90","","92.7","0.02","90","","791.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-4-thia-1-decalinol p-bromobenzoate","trans-4-thia-1-decalinyl p-bromobenzoate","","- C16 H19 Br O2 S -","- C16 H19 Br O2 S -","- C32 H38 Br2 O4 S2 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: <i>p</i>-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.051","0.048","","","","0.133","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012193","12.329","0.01","20.245","0.01","31.691","0.01","90","","90","","90","","7910","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Amphisin tetrahydrate","R-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Asp tetrahydrate","","- C66 H122 N12 O24 -","- C66 H116 N12 O24 -","- C264 H464 N48 O96 -","4","1","DA1195","Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael","Cyclic lipoundecapeptide amphisin from <i>Pseudomonas</i> sp. strain DSS73","Acta Crystallographica Section C","2001","57","9","1123","1124","10.1107/S0108270101010782","","","0.71075","MoKα","","0.0566","0.0437","","","","0.1571","","","","","","0.863","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012194","7.3677","0.0009","10.054","0.001","16.834","0.002","90","","90","","90","","1247","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1248","0.037","","0.1314","","0.1031","","","0.984","","","0.984","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012195","10.2455","0.0009","12.664","0.001","27.446","0.003","90","","97.441","0.009","90","","3531.1","0.6","293","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C144 H160 N16 O48 -","8","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1152","0.0442","","0.1393","","0.1129","","","1.008","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2012196","15.3399","0.0013","16.2211","0.0013","15.6888","0.0013","90","","113.101","0.001","90","","3590.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl3 N O4 P2 S -","- C37 H32 Cl3 N O4 P2 S -","- C148 H128 Cl12 N4 O16 P8 S4 -","4","1","DE1168","Guzei, Ilia A.; Dougan, Jeffrey S.; Treichel, Paul M. Jr","Hydrogen bonding in bis(triphenylphosphine-<i>P</i>)iminium hydrogensulfate chloroform solvate","Acta Crystallographica Section C","2001","57","9","1060","1061","10.1107/S0108270101006710","","","0.71073","MoKα","","0.0942","0.0612","","","","0.153","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012197","7.415","0.0003","7.9299","0.0003","8.8881","0.0004","81.578","0.002","69.26","0.002","85.453","0.002","483.27","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Bis(2,4,7-trimethylindenyl)cobalt(II)","","- C24 H26 Co -","- C24 H26 Co -","- C24 H26 Co -","1","0.5","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and <i>rac</i>-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.033","0.0309","","","","0.0744","","","","","","1.131","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012198","12.1229","0.0004","9.688","0.0004","15.7045","0.0006","90","","102.942","0.002","90","","1797.59","0.12","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","rac-1,1'-Bis(2,4,7-trimethylindene)","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and <i>rac</i>-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.11","0.0476","","","","0.1147","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012199","7.679","0.001","14.644","0.002","12.461","0.001","90","","96.43","0.01","90","","1392.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.046","0.033","","","","0.077","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012200","8.72","0.001","18.17","0.003","9.589","0.002","90","","100.13","0.02","90","","1495.6","0.4","248","2","248","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid monohydrate","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid monohydrate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.088","0.052","","","","0.103","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012201","11.21","0.004","17.709","0.003","9.2126","0.0016","90","","107.423","0.019","90","","1745","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Cl2 Cu N6 O10 -","- C24 H62 Cl2 Cu N6 O10 -","- C48 H124 Cl4 Cu2 N12 O20 -","2","0.5","FR1322","Choi, Ki-Young; Kim, Yong-Son; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan","[2,13-Bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) dichloride octahydrate","Acta Crystallographica Section C","2001","57","9","1014","1015","10.1107/S0108270101004024","","","0.71073","MoKα","","0.047","0.035","","","","0.092","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012202","23.441","0.003","10.1303","0.0014","13.5222","0.0017","90","","73.822","0.01","90","","3083.9","0.7","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 S4 -","- C17 H10 S4 -","- C136 H80 S32 -","8","2","FR1332","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenylthieno[2,3-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","9","1125","1126","10.1107/S0108270101010988","","","0.71073","MoKα","","","0.0334","","","","0.0985","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012203","10.281","0.002","17.244","0.003","26.382","0.005","90","","90","","90","","4677.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C192 H160 Cl16 Pt8 S16 -","8","1","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.0759","0.0454","","","","0.1061","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012204","5.8742","0.0012","16.98","0.003","11.733","0.002","90","","97.99","0.03","90","","1158.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C48 H40 Cl4 Pt2 S4 -","2","0.5","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.049","0.0361","","","","0.0997","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012205","7.4906","0.0002","10.2409","0.0002","13.1449","0.0003","104.961","0.0009","90.7398","0.0009","101.245","0.0009","953.34","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","2","GD1162","Garcia, Celeste; Quesada, Antonio; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Cannon, Debbie; Low, John Nicolson","Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure","Acta Crystallographica Section C","2001","57","9","1103","1105","10.1107/S0108270101010228","","","0.71073","MoKα","","0.0614","0.0509","","","","0.142","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012206","12.7183","0.0002","15.3106","0.0003","12.8865","0.0002","90","","90.482","0.0009","90","","2509.23","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetra(2-Amino-5-methyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride hydrate","","- C12 H22 Cl2 Cu N12 O S4 -","- C12 H22 Cl2 Cu N12 O S4 -","- C48 H88 Cl8 Cu4 N48 O4 S16 -","4","1","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.0558","0.0391","","","","0.1048","","","","","","0.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012207","12.3273","0.0017","12.3273","0.0017","17.705","0.004","90","","90","","90","","2690.5","0.8","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","tetra(2-amino-5-ethyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride","","- C16 H28 Cl2 Cu N12 S4 -","- C16 H28 Cl2 Cu N12 S4 -","- C64 H112 Cl8 Cu4 N48 S16 -","4","0.25","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-<i>N</i>^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.041","0.0322","","","","0.088","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012208","9.6242","0.0002","11.9846","0.0003","14.5866","0.0003","90","","106.105","0.0017","90","","1616.42","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(4-methylpentane-2-onato-C^4^,O)tin(IV)","","- C12 H22 Cl2 O2 Sn -","- C12 H22 Cl2 O2 Sn -","- C48 H88 Cl8 O8 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.0348","0.0279","","","","0.0743","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012209","11.067","0.0002","15.4499","0.0004","12.2682","0.0002","90","","94.7892","0.0016","90","","2090.34","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV)","","- C15 H22 O2 S5 Sn -","- C15 H22 O2 S5 Sn -","- C60 H88 O8 S20 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.038","0.0289","","","","0.0678","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012210","11.137","0.002","12.671","0.003","14.409","0.003","64.28","0.03","85.77","0.03","78.28","0.03","1793.5","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate","","- C26 H38 Cl2 N10 O8 Pt S2 -","- C26 H38 Cl2 N10 O8 Pt S2 -","- C52 H76 Cl4 N20 O16 Pt2 S4 -","2","1","GG1066","Daniel E. Lynch; Helen L. Duckhouse","<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II) tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II) hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.0449","0.037","","","","0.0938","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012211","9.0397","0.0004","9.3009","0.0004","11.5241","0.0005","109.027","0.002","91.85","0.003","91.785","0.003","914.61","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate","","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","1","0.5","GG1066","Daniel E. Lynch; Helen L. Duckhouse","<i>trans</i>-Bis(2-amino-6-nitro-1,3-benzothiazole-<i>N</i>)dichloroplatinum(II) tetrakis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-<i>N</i>^4^)platinum(II) hexachloroplatinate(IV) bis(<i>N</i>,<i>N</i>'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.069","0.0478","","","","0.1352","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012212","7.5309","0.0016","9.5789","0.0014","13.893","0.002","80.234","0.009","82.252","0.014","73.959","0.01","945.1","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(4-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0771","0.0465","","","","0.1073","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012213","7.6526","0.0013","9.679","0.002","13.6308","0.0019","79.91","0.013","75.152","0.013","74.435","0.012","934","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(2-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0629","0.0412","","","","0.0941","","","","","","1.036","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012214","11.603","0.004","7.596","0.001","24.11","0.004","90","","96.44","0.02","90","","2111.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide","","- C22 H18 Cl N3 O4 S -","- C22 H18 Cl N3 O4 S -","- C88 H72 Cl4 N12 O16 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.087","0.05","","","","0.135","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012215","11.4897","0.0012","7.4158","0.0009","25.507","0.003","90","","91.53","0.03","90","","2172.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","","- C23 H21 N3 O5 S -","- C23 H21 N3 O5 S -","- C92 H84 N12 O20 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.07","0.042","","","","0.127","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012216","11.0203","0.0011","12.239","0.0013","15.354","0.0015","66.785","0.007","83.551","0.005","72.854","0.008","1818.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-2,3-dimethoxybenzoato)-κ^4^O:O';κ^6^O,O':O'- bis[(2,2'-bipyridine-N,N')(2,3-dimethoxybenzoato-O,O')lanthanum(III)]","","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","1","0.5","NA1525","Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming","Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)]","Acta Crystallographica Section C","2001","57","9","1048","1050","10.1107/S0108270101009337","","","0.71073","MoKα","","0.037","0.035","","","","0.091","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012217","11.295","0.001","11.295","0.001","9.2","0.001","90","","90","","90","","1173.71","0.19","293","2","293","2","","","","","","","","5","I 4","I 4","79","","Trans-dichloro-tetrakis(N^1^-4-methyl-1,3-pyrimidine- ruthenium(II)","","- C20 H24 Cl2 N8 Ru -","- C20 H24 Cl2 N8 Ru -","- C40 H48 Cl4 N16 Ru2 -","2","0.25","NA1526","Bellucci, Cinzia; Cini, Renzo","<i>trans</i>-Dichlorotetrakis(4-methylpyrimidine-<i>N</i>^1^)ruthenium(II)","Acta Crystallographica Section C","2001","57","9","1039","1040","10.1107/S0108270101009647","","","0.71073","MoKα","","0.0357","0.0292","","","","0.0593","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012218","12.441","0.002","17.667","0.004","7.137","0.001","90","","114.99","0.03","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","melaminium chloride hemihydrate","2,4,6-triamino-1,3,5-triazine-1-ium chloride hemihydrate","","- C3 H8 Cl N6 O0.5 -","- C3 H8 Cl N6 O0.5 -","- C24 H64 Cl8 N48 O4 -","8","1","NA1530","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium chloride hemihydrate","Acta Crystallographica Section C","2001","57","9","1120","1122","10.1107/S0108270101011283","","","0.71073","MoKα","","0.0579","0.0289","","","","0.054","","","","","","1.004","","","","has coordinates,has Fobs","197922","2020-10-21","18:00:00",""
"2012219","12.522","0.002","10.7827","0.0012","4.8838","0.0006","90","","93.23","0.004","90","","658.37","0.15","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzimidazolium 3-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C28 H22 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.073","0.048","","","","0.113","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012220","13.8524","0.0005","7.6666","0.0004","12.5193","0.0007","90","","94.14","0.0017","90","","1326.09","0.11","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzimidazolium 4-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.075","0.053","","","","0.153","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012221","14.342","0.003","5.218","0.001","18.161","0.004","90","","105.4","0.01","90","","1310.3","0.5","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzotriazole 3-nitrobenzoic acid clathrate","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.123","0.072","","","","0.184","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012222","5.826","0.002","23.411","0.007","7.556","0.002","90","","90.53","0.03","90","","1030.5","0.5","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Imidazolium 3-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C40 H36 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.147","0.044","","","","0.131","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012223","7.5395","0.0007","11.8374","0.0015","5.9689","0.0012","100.145","0.014","90.731","0.013","102.998","0.009","510.19","0.13","297","","297","","","","","","","","","4","P -1","-P 1","2","","Imidazolium 4-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from <i>N</i>-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.106","0.047","","","","0.14","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012224","5.639","0.003","15.073","0.008","21.113","0.007","90","","90","","90","","1794.5","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","SK1479","Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick","(1<i>S</i>)-(<i>Z</i>)-2-Benzyloxy-<i>N</i>-(3-methyl-1-butylidene)-1-phenylethylamine <i>N</i>-oxide","Acta Crystallographica Section C","2001","57","9","1079","1080","10.1107/S0108270101009477","","","0.71073","MoKα","","0.0556","0.0556","","0.0397","","0.0397","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012225","11.583","0.001","12.842","0.002","20.728","0.003","96.7","0.01","98.76","0.01","113.2","0.01","2747.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(μ-dicyclohexylphosphine)-heptacarbonyl-eq-triphenylphosphine- triphenylphosphine-silver-manganese-rhenium","","- C55 H52 Ag Mn O7 P3 Re -","- C55 H52 Ag Mn O7 P3 Re -","- C110 H104 Ag2 Mn2 O14 P6 Re2 -","2","1","SK1486","Flörke, Ulrich; Petters, Dina","The first example of a silver‒manganese‒rhenium cluster complex: heptacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-bis(triphenylphosphine)-1κ<i>P</i>,3κ<i>P</i>-<i>triangulo</i>-manganeserheniumsilver with disordered solvent","Acta Crystallographica Section C","2001","57","9","1044","1045","10.1107/S0108270101009696","","","0.71073","MoKα","","0.0671","0.0383","","","","0.0866","","","","","","0.893","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012226","13.4836","0.0003","13.1345","0.0003","14.6532","0.0003","90","","102.057","0.0013","90","","2537.84","0.1","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl N O4 S -","- C28 H28 Cl N O4 S -","- C112 H112 Cl4 N4 O16 S4 -","4","1","SK1487","Vega, Daniel; Fernández, Daniel; Ellena, Javier A.","1-(2-{4-[6-Hydroxy-2-(4-hydroxyphenyl)benzo[<i>b</i>]thiol-3-ylcarbonyl]phenoxy}ethyl)piperidinium chloride","Acta Crystallographica Section C","2001","57","9","1092","1094","10.1107/S0108270101009763","","","0.71073","MoKα","","","0.0438","","","","0.1422","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012227","8.8407","0.0001","10.5562","0.0001","28.2974","0.0004","90","","90","","90","","2640.83","0.05","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside","","- C20 H28 Cl I O13 -","- C20 H28 Cl I O13 -","- C80 H112 Cl4 I4 O52 -","4","1","SK1489","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","3-<i>O</i>-Acetyl-4-deoxy-4-iodo-β-<small>D</small>-fructofuranosyl 2,3,6-tri-<i>O</i>-acetyl-4-chloro-4-deoxy-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2001","57","9","1098","1100","10.1107/S0108270101009994","","","0.71073","MoKα","","0.0443","0.0347","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012228","9.2081","0.0004","9.4835","0.0004","11.1287","0.0006","100.574","0.001","101.751","0.001","111.882","0.001","846.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C16 H19 Cl N2 O4 -","- C16 H19 Cl N2 O4 -","- C32 H38 Cl2 N4 O8 -","2","1","SK1492","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Sarkar, Tarun K.; Basak, Sankar; Nigam, Gur Dayal","Methyl (<i>SR</i>)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","2001","57","9","1116","1117","10.1107/S0108270101010770","","","0.71073","MoKα","","0.111","0.076","","","","0.209","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012229","6.2303","0.0001","20.561","0.0003","10.7476","0.0002","90","","96.665","0.001","90","","1367.48","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","2","SK1493","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam","1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1<i>H</i>-benzo[<i>b</i>]fluoren-11-one","Acta Crystallographica Section C","2001","57","9","1118","1119","10.1107/S0108270101010976","","","0.71073","MoKα","","0.0659","0.0516","","","","0.131","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012230","7.2343","0.0013","26.691","0.004","12.745","0.002","90","","104.51","0.016","90","","2382.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N6 Ni O2 S4 -","- C21 H13 N6 Ni O2 S4 -","- C84 H52 N24 Ni4 O8 S16 -","4","1","TA1318","Ren, Xiao-Ming; Li, Hai-Fang; Wu, Pei-Heng; Meng, Qing-Jin","2-Methyl-1-(4-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate(III)","Acta Crystallographica Section C","2001","57","9","1022","1024","10.1107/S0108270101009064","","","0.71073","MoKα","","0.0917","0.0479","","","","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012231","14.722","0.001","10.225","0.001","22.319","0.002","90","","100.35","0.01","90","","3305.1","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Porphycene","Chloro[(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato)iron(III)] chloroform solvate","","- C33 H37 Cl4 Fe N4 -","- C33 H37 Cl4 Fe N4 -","- C132 H148 Cl16 Fe4 N16 -","4","1","TA1328","Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio","Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^<i>N</i>)iron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","9","1046","1047","10.1107/S0108270101009842","","","0.71069","MoKα","","0.1039","0.07","","","","0.2053","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012232","6.5376","0.0003","11.8766","0.001","13.5312","0.0015","90","","91.197","0.012","90","","1050.39","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Oxo-16-(2-pyridylmethylene)-androst-5-en-3β-ol monohydrate","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C50 H66 N2 O6 -","2","1","VJ1136","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jindal, D. P.; Dubey, S.","17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate","Acta Crystallographica Section C","2001","57","9","1062","1063","10.1107/S010827010100912X","","","1.5418","CuKα","","0.0422","0.0389","","","","0.1165","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012233","7.734","0.005","8.432","0.003","9.782","0.004","95.88","0.04","112.78","0.04","92.09","0.04","583","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II) acetate 4-cyanopyridine adduct","tetrakis(μ-acetato-O,O')bis(4-cyanopyridine-N)dicopper(II)","","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","1","0.5","VJ1144","Das, Birinchi K.; Barman, Rama K.","Tetrakis(μ-acetato-<i>O</i>,<i>O</i>')bis[(4-cyanopyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2001","57","9","1025","1026","10.1107/S0108270101009052","","","0.7107","MoKα","","0.031","0.026","","","","0.072","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012234","13.0982","0.0003","12.8311","0.0003","17.8255","0.0003","90","","91.6958","0.0012","90","","2994.52","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate","","- C25 H22 Ce N9 O12 -","- C25 H22 Ce N9 O12 -","- C100 H88 Ce4 N36 O48 -","4","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerate(III) pyridine solvate and bis(methanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.066","0.042","","","","0.082","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012235","7.746","0.0002","12.228","0.0003","12.3405","0.0003","91.253","0.002","103.238","0.002","96.51","0.002","1129.09","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N) cerium(III)","","- C17 H19 Ce N6 O11 -","- C17 H19 Ce N6 O11 -","- C34 H38 Ce2 N12 O22 -","2","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerate(III) pyridine solvate and bis(methanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.035","0.033","","","","0.087","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012236","7.116","0.002","9.452","0.002","13.895","0.003","86.43","0.02","84.17","0.02","68.42","0.02","864.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-hydroxy-5-nitrophenyl)-1H-tetrazole","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","2","AV1080","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.","4-Nitro-2-(1<i>H</i>-tetrazol-1-yl)phenol","Acta Crystallographica Section C","2001","57","10","1204","1206","10.1107/S0108270101012100","","","0.71069","MoKα","","0.0599","0.0451","","","","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012237","4.3449","0.0002","6.2955","0.0003","8.5432","0.0005","105.24","0.005","92.743","0.004","96.356","0.004","223.36","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Amino-2-nitraminoethane","","- C2 H7 N3 O2 -","- C2 H7 N3 O2 -","- C4 H14 N6 O4 -","2","1","AV1081","Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1-Amino-2-nitraminoethane","Acta Crystallographica Section C","2001","57","10","1192","1193","10.1107/S0108270101011404","","","1.5418","CuKα","","0.032","0.029","","","","0.082","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012238","8.502","0.008","10.939","0.014","11.814","0.007","66.39","0.09","81.63","0.07","81.74","0.1","991.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","1","0.5","AV1085","Öztürk, Levent; Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","<i>trans</i>-2,4,4,6,8,8-Hexamorpholino-2,6-bis(<i>n</i>-propylamino)cyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","2001","57","10","1228","1230","10.1107/S010827010101441X","","","0.71073","MoKα","","0.1245","0.069","","","","0.1828","","","","","","0.885","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012239","6.463","0.0003","8.308","0.0005","16.353","0.0009","77.095","0.003","86.747","0.003","67.554","0.003","790.65","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine-butane-2,3-dione monoxime (1/1)","","- C13 H26 N4 O3 -","- C13 H26 N4 O3 -","- C26 H52 N8 O6 -","2","1","BJ1033","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Johnston, Andrew","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine‒butane-2,3-dione monooxime (1/1)","Acta Crystallographica Section C","2001","57","10","1222","1224","10.1107/S0108270101012926","","","0.71069","MoKα","","","0.045","","","","0.048","","","","","","0.942","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012240","5.4565","0.0005","7.3922","0.0007","13.4798","0.0012","99.197","0.002","90.039","0.002","101.465","0.002","525.72","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BPDS)(β-Alanine)2","Bis(β-alaninium) 4,4'-biphenyldisulfonate","","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","1","0.5","BK1608","Liao, Cheng-Zhu; Feng, Xiao-Long; Yao, Jun-Hua; Cai, Jiwen","Bis(β-alaninium) biphenyl-4,4'-disulfonate","Acta Crystallographica Section C","2001","57","10","1215","1216","10.1107/S0108270101012355","","","0.71073","MoKα","","0.039","0.035","","","","0.114","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012241","21.565","0.004","9.002","0.002","18.396","0.004","90","","105.93","0.03","90","","3434","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","","- C13 H10 Br N6 O3 Re -","- C13 H10 Br N6 O3 Re -","- C104 H80 Br8 N48 O24 Re8 -","8","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.047","0.029","","","","0.071","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012242","12.361","0.003","11.803","0.002","15.543","0.003","90","","108.83","0.03","90","","2146.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol hemisolvate","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol solvate","","- C15 H15 I N6 O3.5 Re -","- C15 H12 I N6 O3.5 Re -","- C60 H48 I4 N24 O14 Re4 -","4","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κ<i>N</i>^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.056","0.045","","","","0.123","","","","","","1.121","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012243","9.0151","0.0007","12.7805","0.0014","10.64","0.0012","90","","105.497","0.007","90","","1181.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2-phenylsulfanyl)phenyl]ethanone","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0452","0.0386","","","","0.1102","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012244","7.8838","0.0018","14.719","0.003","21.277","0.004","90","","90","","90","","2469","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2-phenylmethylsulfanyl)phenyl]ethanone","","- C15 H14 O S -","- C15 H14 O S -","- C120 H112 O8 S8 -","8","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0415","0.0328","","","","0.0868","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012245","17.146","0.002","10.938","0.0016","18.965","0.009","90","","109.96","0.02","90","","3343.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzoyl-1,3,5-O-methylidyneinositol 4,6-cyclophosphate, potassium- 18-crown-6 salt","","- C26 H42 K O18 P -","- C26 H36 K O18 P -","- C104 H144 K4 O72 P4 -","4","1","BM1456","Kumara Swamy, K. C.; Kumaraswamy, Sudha","A potassium‒18-crown-6 salt of a cyclic <i>myo</i>-inositol phosphate","Acta Crystallographica Section C","2001","57","10","1147","1148","10.1107/S0108270101011222","","","0.71073","MoKα","","0.1242","0.0588","","","","0.1981","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012246","8.352","0.005","8.352","0.005","8.352","0.005","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tripotassium trioxoantimonate(III)","","- K3 O3 Sb -","- K3 O3 Sb -","- K12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.045","0.026","","","","0.054","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012247","9.1369","0.001","9.1369","0.001","9.1369","0.001","90","","90","","90","","762.78","0.14","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tricaesium trioxoantimonate(III)","","- Cs3 O3 Sb -","- Cs3 O3 Sb -","- Cs12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.023","0.014","","","","0.036","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012248","6.1677","0.0001","15.7416","0.0003","10.5141","0.0002","90","","90.763","0.001","90","","1020.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamoyl shikonin","1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthyl)-4-methylpent-3-en-1-yl cinnamate","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","DE1171","Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","Cinnamoyl shikonin","Acta Crystallographica Section C","2001","57","10","1199","1200","10.1107/S0108270101011842","","","0.71073","MoKα","","0.05","0.041","","","","0.096","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012249","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","FG1628","Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu","Glycine sodium nitrate","Acta Crystallographica Section C","2001","57","10","1149","1150","10.1107/S0108270101011520","","","0.71073","MoKα","","0.029","0.029","","","","0.078","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012250","9.257","0.006","10.483","0.002","10.6838","0.0017","103.807","0.012","92.84","0.03","103.09","0.05","974.7","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","fac-Re(CO)3~dpk.oxime)Cl.dmso","fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","","- C16 H15 Cl N3 O5 Re S -","- C16 H15 Cl N3 O5 Re S -","- C32 H30 Cl2 N6 O10 Re2 S2 -","2","1","FG1636","Bakir, Mohammed","The first pyridyl <i>N</i>,<i>N</i>'-coordinated di-2-pyridyl ketone oxime, <i>fac</i>-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","10","1154","1156","10.1107/S0108270101009593","","","0.71073","MoKα","","0.036","0.033","","","","0.096","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012251","11.8728","0.0017","12.5961","0.0017","13.903","0.002","91.553","0.002","105.95","0.002","115.017","0.002","1786.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Cu(en)2(H2O)2][Ni(en)3]2(2,6nds)3.4H2O","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","1","0.5","FR1340","Cai, Jiwen; Feng, Xiao-Long; Hu, Xiao-Peng","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","Acta Crystallographica Section C","2001","57","10","1168","1170","10.1107/S0108270101013324","","","0.71073","MoKα","","0.0437","0.0369","","","","0.1114","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012252","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","11","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","","0.71073","MoKα","","0.029","0.022","","","","0.051","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012253","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","20","","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","neutron","","pulsedneutron","","0.115","0.072","","","0.059","","","","1.58","","","1.439","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012254","10.477","0.001","13.523","0.002","10.058","0.001","90","","110.07","0.01","90","","1338.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.12","0.049","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012255","19.5883","0.0017","8.0623","0.0005","22.936","0.002","90","","90.559","0.011","90","","3622","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium chloride 2.25 hydrate","","- C16 H15.5 Cl N4 O6.25 -","- C16 H15.5 Cl N4 O6.25 -","- C128 H124 Cl8 N32 O50 -","8","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.081","0.039","","","","0.093","","","","","","0.823","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012256","6.1401","0.0007","15.6358","0.0012","10.7154","0.0008","90","","106.934","0.008","90","","984.13","0.16","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium perchlorate trihydrate","","- C16 H17 Cl N4 O11 -","- C16 H17 Cl N4 O11 -","- C32 H34 Cl2 N8 O22 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.057","0.04","","","","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012257","6.191","0.0006","15.6564","0.0011","10.8349","0.001","90","","106.4","0.011","90","","1007.48","0.16","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium hexafluorophosphate trihydrate","","- C16 H17 F6 N4 O7 P -","- C16 H17 F6 N4 O7 P -","- C32 H34 F12 N8 O14 P2 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.05","0.044","","","","0.152","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012258","8.8856","0.0008","9.0728","0.0009","12.9288","0.0011","109.164","0.005","92.476","0.005","111.074","0.005","903.17","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine‒tetrahydroxybenzoquinone (3/2)","","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","1","0.5","GD1161","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.","Interpenetrating supramolecular lattices in 4,4'-bipyridine‒2,3,5,6-tetrahydroxy-1,4-benzoquinone (3/2)","Acta Crystallographica Section C","2001","57","10","1196","1198","10.1107/S0108270101011647","","","0.71073","MoKα","","0.0715","0.0377","","","","0.0666","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012259","4.0545","0.0007","7.5723","0.0012","9.0629","0.0014","81.096","0.004","86.19","0.004","85.197","0.004","273.53","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Cu(PT)~2~","Bis(1-hydroxy-2(1H)-pyridinethiolato-S^2^,O)copper(II)","","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","1","0.5","GD1171","Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William","Bis[1-hydroxypyridine-2(1<i>H</i>)-thionato-<i>S</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2001","57","10","1157","1158","10.1107/S0108270101012306","","","0.6884","synchrotron","","0.084","0.061","","","","0.161","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012260","7.271","0.003","9.733","0.005","35.98","0.02","90","","93.28","0.04","90","","2542","2","150","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4-dimethyl-23-phenyl-24-nor-5α-cholane-8,14-dien-3β-ol","","- C31 H44 O -","- C31 H44 O -","- C124 H176 O4 -","4","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0496","0.0443","","","","0.1156","","","","","","1.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012261","23.785","0.009","13.61","0.003","19.08","0.007","90","","121.927","0.012","90","","5242","3","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","ORG39097","4,4-dimethyl-22-phenyl-23,24-dinor-5α-cholane-8,14-dien-3β-ol","","- C30 H42 O -","- C30 H42 O -","- C240 H336 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0479","0.0459","","","","0.1194","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012262","24.661","0.01","24.661","0.01","7.232","0.01","90","","90","","120","","3809","6","150","","150","","","","","","","","","3","P 62","P 62","171","","4,4-dimethyl-22-oxa-5α,20β-cholesta-8,14,24-trien-3β-ol","","- C28 H44 O2 -","- C28 H44 O2 -","- C168 H264 O12 -","6","1","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0823","0.0753","","","","0.1399","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012263","64.902","0.004","7.2926","0.0014","11.1447","0.0011","90","","96.055","0.013","90","","5245.4","1.2","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","4,4-dimethyl-23-phenyl-22-oxa-24-nor-5α-cholane-8,14-dien-3β-ol‒water (4/1)","","- C120 H170 O9 -","- C120 H170 O9 -","- C240 H340 O18 -","2","0.5","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0701","0.0449","","","","0.1062","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012264","10.5743","0.0007","20.941","0.017","23.69","0.02","90","","90","","90","","5246","6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O -","- C29 H46 O -","- C232 H368 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0938","0.0511","","","","0.1118","","","","","","1.012","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012265","7.2913","0.0005","7.9434","0.0005","9.9197","0.0007","76.584","0.004","80.959","0.004","86.321","0.004","551.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis-(2,2-bipyridyl) hexahydroxybenzene","Hexahydroxybenzene-2,2'-bipyridine (1/2)","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","1","0.5","GG1065","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.; Puschmann, Horst; Williams, Ian D.","Hexahydroxybenzene‒2,2'-bipyridine (1/2)","Acta Crystallographica Section C","2001","57","10","1194","1195","10.1107/S0108270101011350","","","0.71073","MoKα","","0.045","0.04","","","","0.112","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012266","8.207","0.002","10.312","0.002","17.236","0.002","90","","95.6","0.01","90","","1451.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ortho dimethoxybenzo-phenyldiazotropone","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","GG1067","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Gitto, Rosaria; Zappalá, Maria","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3<i>H</i>-2,3-benzodiazepin-4-one","Acta Crystallographica Section C","2001","57","10","1225","1227","10.1107/S0108270101011805","","","0.71073","MoKα","","0.051","0.032","","","","0.08","","","","","","0.839","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012267","8.5116","0.0017","6.569","0.0013","10.243","0.002","90","","109.36","0.03","90","","540.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-methyl-1,3,4-thiadiazole","","- C3 H5 N3 S -","- C3 H5 N3 S -","- C12 H20 N12 S4 -","4","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.105","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012268","7.2752","0.0003","10.7294","0.0004","15.4991","0.0007","90","","90","","90","","1209.84","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-5-ethyl-1,3,4-thiadiazole","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C32 H56 N24 S8 -","8","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.092","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012269","15.293","0.002","12.5644","0.0013","18.225","0.002","90","","92.61","0.002","90","","3498.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Peroxo-bis[trans-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","","- C74 H100 B2 Cl2 Co2 N8 O4 -","- C74 H92 B2 Cl2 Co2 N8 O4 -","- C148 H184 B4 Cl4 Co4 N16 O8 -","2","0.5","GG1072","Lewis, Gareth R.; Wilson, Claire","μ-Peroxo-bis[<i>trans</i>-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","Acta Crystallographica Section C","2001","57","10","1159","1161","10.1107/S0108270101012173","","","0.71073","MoKα","","0.0825","0.0474","","","","0.1336","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012270","8.2473","0.0007","7.5676","0.0007","23.7798","0.0016","90","","91.717","0.005","90","","1483.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","GG1075","Zakaria, Choudhury M.; Low, John N.; Skakle, Janet M. S.; McWilliam, Susan A.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in <i>C</i>-methylated nitroanilines: a room-temperature monoclinic polymorph of 4-methyl-3-nitroaniline with <i>Z</i>' = 2","Acta Crystallographica Section C","2001","57","10","1207","1208","10.1107/S0108270101012185","","","0.71073","MoKα","","0.1336","0.0607","","","","0.204","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012271","3.7715","0.0002","15.6399","0.0008","13.3484","0.0009","90","","93.252","0.002","90","","786.1","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitrobenzothiazole","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","GG1076","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole","Acta Crystallographica Section C","2001","57","10","1209","1211","10.1107/S0108270101012574","","","0.71073","MoKα","","0.0777","0.0451","","","","0.1081","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012272","13.5264","0.0007","4.2773","0.0002","16.3725","0.0008","90","","109.835","0.001","90","","891.06","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Iodo-2-methyl-5-nitroaniline","","- C7 H7 I N2 O2 -","- C7 H7 I N2 O2 -","- C28 H28 I4 N8 O8 -","4","1","GG1080","Garden, Simon J.; Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Pinto, Angelo C.; Skakle, Janet M. S.; Torres, Jose C.; Wardell, James L.","4-Iodo-2-methyl-5-nitroaniline exhibits neither strong hydrogen bonding nor intermolecular I···nitro interactions","Acta Crystallographica Section C","2001","57","10","1212","1214","10.1107/S0108270101013373","","","0.71073","MoKα","","0.0351","0.0304","","","","0.0863","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012273","4.3897","0.0008","10.4102","0.001","25.829","0.003","90","","91.166","0.012","90","","1180.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Nitro-3-thiomorpholino-1H-indazole","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.06","0.042","","","","0.128","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012274","7.3742","0.0011","12.1765","0.0013","16.6356","0.0016","78.65","0.009","84.958","0.01","74.596","0.011","1410.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4-methylpiperazino)-5-nitro-1H-indazole methanol hemisolvate water hemisolvate","","- C12.5 H18 N5 O3 -","- C12.5 H18 N5 O3 -","- C50 H72 N20 O12 -","4","2","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.054","0.042","","","","0.124","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012275","8.378","0.006","11.099","0.01","23.042","0.012","90","0.06","99.44","0.05","90","0.07","2114","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylenetriamine)nickel(II) 5-amino-1,3,4-thiadiazole-2- sulfonamidate chloride hydrate.","","- C10 H31 Cl N10 Ni O3 S2 -","- C10 H31 Cl N10 Ni O3 S2 -","- C40 H124 Cl4 N40 Ni4 O12 S8 -","4","1","NA1492","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Chufán, Eduardo E.; Pedregosa, Jose C.; Borras-Tortonda, Joaquin","Bis(diethylenetriamine-κ^3^<i>N</i>)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate","Acta Crystallographica Section C","2001","57","10","1132","1134","10.1107/S0108270101009088","","","0.71073","MoKα","","0.0885","0.0594","","","","0.1486","","","","","","1.149","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2012276","18.9631","0.0007","9.6845","0.0003","10.0505","0.0004","90","","93.134","0.001","90","","1843","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O3 -","- C18 H22 Cl2 N2 O3 -","- C72 H88 Cl8 N8 O12 -","4","1","NA1521","Carlo Castellari; Fabio Comelli; Stefano Ottani","Anti-inflammatory drugs. X. Hydrated pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate (HP·D·H~2~O)","Acta Crystallographica Section C","2001","57","10","1182","1183","10.1107/S0108270101010022","","","0.71073","MoKα","","0.0698","0.0409","","","","0.1052","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012277","7.911","0.003","8.798","0.003","8.819","0.002","102.92","0.03","92.43","0.02","112.05","0.02","549.1","0.3","293","3","293","3","","","","","","","","6","P -1","-P 1","2","","bis(S-methylisothiosemicarbazide-N^1^,N^4^)-bis(pyrazole-N^2^)- nickel(II) iodide","","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","1","0.5","NA1529","Bogdanović, Goran A.; Leovac, Vukadin M.; Novaković, Sladjana B.; Češljević, Valerija I.; Spasojević-de Biré, Anne","Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(<i>S</i>-methylisothiosemicarbazido-<i>N</i>^1^,<i>N</i>^4^)bis(pyrazole-<i>N</i>^2^)nickel(II) diiodide","Acta Crystallographica Section C","2001","57","10","1138","1140","10.1107/S010827010100991X","","","0.71073","MoKα","","0.0401","0.0345","","0.0919","","0.0953","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012278","18.044","0.003","7.486","0.003","19.052","0.005","90","","111.764","0.015","90","","2390.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Amiloride hydrochloride hemimethanol solvate","N-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)-N-(diaminomethylene)ammonium chloride methanol hemisolvate","","- C6.5 H11 Cl2 N7 O1.5 -","- C6.5 H11 Cl2 N7 O1.5 -","- C52 H88 Cl16 N56 O12 -","8","2","OS1141","Pretscher, Andrea; Brisander, Magnus; Bauer-Brandl, Annette; Hansen, Lars Kr.","The methanol hemisolvate of amiloride hydrochloride","Acta Crystallographica Section C","2001","57","10","1217","1219","10.1107/S0108270101012550","","","0.71069","MoKα","","0.044","0.032","","","","0.093","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012279","16.793","0.001","13.685","0.002","21.244","0.001","90","","92.11","0.01","90","","4878.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-(4-methyl-4-azaheptane-1,7-diyl-κN)bis(4-methoxysalicylideneiminato- κ^4^O,N,N',O')cobalt(II)] ethanol hemisolvate","","- C24 H32 Co N3 O4.5 -","- C24 H29 Co N3 O4.5 -","- C192 H232 Co8 N24 O36 -","8","1","OS1142","Cini, Renzo","[<i>N</i>,<i>N</i>'-(4-Methyl-4-azaheptane-1,7-diyl-κ<i>N</i>)bis(4-methoxysalicylideniminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')]cobalt(II) ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1171","1173","10.1107/S0108270101012768","","","0.71073","MoKα","","0.09","0.049","","","","0.144","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012280","6.9892","0.0003","7.169","0.004","8.2106","0.0003","85.922","0.003","84.242","0.004","61.818","0.003","360.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","poly[diaquanickel(II)-μ-(pyrazine-2,3,5,6-tetracarboxylato)- tetraaquanickel(II)","","- C8 H12 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","1","0.5","SK1451","Alfonso, Montserrat; Neels, Antonia; Stoeckli-Evans, Helen","X-ray powder structure of a new two-dimensional nickel(II) coordination polymer with pyrazine-2,3,5,6-tetracarboxylic acid","Acta Crystallographica Section C","2001","57","10","1144","1146","10.1107/S010827010101068X","","","1.5418","CuKα","","","","","","","","","","1.3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012281","9.674","0.003","12.92","0.004","6.484","0.003","90","","97.71","0.03","90","","803.1","0.5","225","","225","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nitric acid dihydrate","","- H5 N O5 -","- H5 N O5 -","- H40 N8 O40 -","8","2","SK1488","Lebrun, Nathalie; Mahe, Fabrice; Lamiot, Jocelyne; Foulon, Michel; Petit, Jean Claude","A new crystalline phase of nitric acid dihydrate","Acta Crystallographica Section C","2001","57","10","1129","1131","10.1107/S0108270101010101","","","0.71069","MoKa","","0.038","0.031","","0.083","","0.083","","","1.133","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012282","16.571","0.004","9.742","0.003","9.5","0.003","90","","101.507","0.005","90","","1502.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-octylsalicylideneaminato-N,O)copper(II)","","- C30 H44 Cu N2 O2 -","- C30 H44 Cu N2 O2 -","- C60 H88 Cu2 N4 O4 -","2","0.5","TA1334","Zhang, Lei Z.; Bu, Ping-Yu; Wang, Li-Juan; Cheng, Peng","Bis(<i>N</i>-octylsalicylideniminato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","2001","57","10","1166","1167","10.1107/S0108270101013154","","","0.71073","MoKα","","0.108","0.048","","","","0.126","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012283","17.1524","0.0009","6.1439","0.0009","22.6183","0.0011","90","","107.791","0.012","90","","2269.6","0.4","293","2","293","2","","","","","","","","4","A 1 2 1","A 2y","5","","Methyl N-(carbobenzoxy)-α,β-didehydrovalyl-L-tryptophanate","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C100 H108 N12 O20 -","4","1","VJ1138","Vijayaraghavan, Rangachari; Kumar, Pravindra; Dey, Sharmistha; Singh, Tej P.","Design of peptides with α,β-dehydro residues: a dipeptide with a branched β-carbon dehydro residue at the (<i>i</i>+1) position, methyl <i>N</i>-(benzyloxycarbonyl)-α,β-didehydrovalyl-<small>L</small>-tryptophanate","Acta Crystallographica Section C","2001","57","10","1220","1221","10.1107/S010827010100840X","","","1.5418","CuKα","","0.0484","0.046","","","","0.1455","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012284","8.854","0.002","19.752","0.012","10.662","0.007","90","","93.66","0.03","90","","1860.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(2-pyridylmethyl)ammonio]silver(I) trinitrate","","- C12 H18 Ag N7 O9 -","- C12 H18 Ag N7 O9 -","- C48 H72 Ag4 N28 O36 -","4","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.047","0.034","","","","0.093","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012285","11.3358","0.0007","14.5436","0.001","14.6015","0.0017","77.7","0.008","89.519","0.006","74.421","0.006","2262.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{bis[(2-pyridylmethyl)ammonio]silver(I)} hexakis(perchlorate) dihydrate, [Ag(C~6~H~9~N~2~)~2~]~2~(ClO~4~)~6~.2H~2~O","","- C24 H40 Ag2 Cl6 N8 O26 -","- C24 H40 Ag2 Cl6 N8 O26 -","- C48 H80 Ag4 Cl12 N16 O52 -","2","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.107","0.063","","","","0.181","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012286","5.057","0.0004","7.9646","0.0005","9.7226","0.0009","90","","100.702","0.007","90","","384.79","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzdiamidine","Benzene-1,4-dicarboxamidine","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","AV1083","Jokić, Milan; Bajić, Miroslav; Žinić, Mladen; Perić, Berislav; Kojić-Prodić, Biserka","Benzdiamidine","Acta Crystallographica Section C","2001","57","11","1354","1355","10.1107/S010827010101438X","","","1.54178","CuKα","","0.049","0.04","","","","0.118","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012287","8.167","0.002","8.666","0.001","13.004","0.002","104.01","0.01","103.11","0.01","98.4","0.01","849.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)acrylonitrile","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C32 H34 N2 O10 S2 -","2","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.088","0.053","","","","0.177","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012288","8.458","0.001","15.137","0.002","15.93","0.003","90","","95.98","0.02","90","","2028.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)bicyclo[2.2.1]hept- 5-ene-2-carbonitrile","Diethyl 3-cyano-3-(toluene-4-sulfinyl)bicyclo[2.2.1]hepta-5-ene-2,2-dicarboxylate","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.144","0.064","","","","0.141","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012289","13.06","0.002","7.3266","0.0011","15.0029","0.0018","90","","103.842","0.01","90","","1393.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(propane-1,2-diamine-N,N')nickel(II) bis(p-toluenesulfonate)","","- C20 H38 N4 Ni O8 S2 -","- C20 H38 N4 Ni O8 S2 -","- C40 H76 N8 Ni2 O16 S4 -","2","0.5","BJ1030","Kim, Chong-Hyeak; Lee, Sueg-Geun","Diaquabis(propane-1,2-diamine-<i>N</i>,<i>N</i>')nickel(II) bis(<i>p</i>-toluenesulfonate)","Acta Crystallographica Section C","2001","57","11","1259","1260","10.1107/S010827010101294X","","","0.71073","MoKα","","0.048","0.039","","","","0.112","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012290","8.425","0.0007","11.2156","0.0007","20.8889","0.0014","90","","94.499","0.003","90","","1967.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans Diaqua(biquinoline N,N')(nitrato O,O')-Nickel(II) nitrate,hydrate","","- C18 H18 N4 Ni O9 -","- C18 H18 N4 Ni O9 -","- C72 H72 N16 Ni4 O36 -","4","1","BK1615","Freire, Eleonora; Baggio, Sergio; Goeta, Andrés; Baggio, Ricardo","<i>trans</i>-Diaqua(2,2'-biquinoline-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>,<i>O</i>')nickel(II) nitrate hydrate","Acta Crystallographica Section C","2001","57","11","1268","1270","10.1107/S0108270101013592","","","0.71073","MoKα","","0.031","0.025","","","","0.064","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012291","9.109","0.002","10.883","0.003","13.964","0.004","110.16","0.02","96.6","0.02","98.27","0.02","1265.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","Tribenzo-18-crown-6","2,3,12,15,22,25-hexaoxatetracyclo-[24.4.0.0^6,11^.0^16,21^]triaconta- 6(11),7,9,16(21),17,19,26(1),27,29-nonaene acetonitrile disolvate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","BK1618","Bryan, Jeffrey C.; Engle, Nancy L.; Sachleben, Richard A.; Hay, Benjamin P.","Tribenzo-18-crown-6 acetonitrile disolvate","Acta Crystallographica Section C","2001","57","11","1359","1360","10.1107/S0108270101016109","","","0.71073","MoKα","","0.06","0.042","","","","0.115","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012292","15.306","0.007","7.788","0.004","16.426","0.007","90","","132.31","0.03","90","","1448","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dimethoxyphenoxy)benzoate","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.091","0.055","","","","0.165","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012293","7.92","0.004","8.55","0.005","11.36","0.007","76.02","0.07","82.46","0.07","64.2","0.06","671.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(3,4-Dimethoxyphenoxy)benzoic acid","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.058","0.05","","","","0.159","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012294","4.953","0.002","13.93","0.006","17.67","0.008","90","","97.23","0.06","90","","1209.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dimethoxy-9H-xanthen-9-one","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.08","0.052","","","","0.168","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012295","5.273","0.001","15.443","0.004","16.55","0.006","90","","90","","90","","1347.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,8-Trimethoxy-9H-xanthen-9-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71073","MoKα","","0.049","0.042","","","","0.108","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012296","8.097","0.003","9.223","0.004","10.906","0.004","76.71","0.03","73.12","0.03","75.25","0.03","742.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C32 H30 I2 N4 -","2","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0648","0.0533","","","","0.1417","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012297","7.3189","0.0017","20.96","0.005","10.009","0.002","90","","102.597","0.006","90","","1498.5","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C64 H60 I4 N8 -","4","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0979","0.0475","","","","0.118","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012298","15.3795","0.0019","13.8324","0.0017","14.169","0.0017","90","","100.816","0.002","90","","2960.7","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide hemihydrate","","- C16 H16 I N2 O0.5 -","- C16 H15 I N2 O0.5 -","- C128 H120 I8 N16 O4 -","8","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0613","0.0507","","","","0.1388","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012299","7.554","0.002","16.046","0.006","16.295","0.005","82.27","0.03","87.36","0.02","87.42","0.03","1953.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(9-ethylcarbazol-3-ylvinyl)-N-methylpyridinium iodide","","- C22 H21 I N2 -","- C22 H21 I N2 -","- C88 H84 I4 N8 -","4","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0575","0.0408","","","","0.0955","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012300","11.002","0.006","17.208","0.003","11.157","0.007","90","","114.86","0.02","90","","1916.5","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Bis(dimethylamino)-10-propylacridinium iodide","","- C20 H26 I N3 -","- C20 H26 I N3 -","- C80 H104 I4 N12 -","4","1","BM1459","Puliti, Raffaella; Mattia, Carlo Andrea","3,6-Bis(dimethylamino)-10-propylacridinium iodide","Acta Crystallographica Section C","2001","57","11","1338","1340","10.1107/S0108270101013774","","","1.5418","CuKα","","0.045","0.041","","","","0.043","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012301","17.4947","0.0002","9.873","0.0001","11.1165","0.0001","90","","90","","90","","1920.1","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trans-dibromobis(5-tert-butylpyrazole-N^2^)copper(II)","","- C14 H24 Br2 Cu N4 -","- C14 H23.9999 Br2 Cu N4 -","- C55.9998 H95.9996 Br8 Cu4 N16 -","4","1","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.0245","0.0235","","","","0.0597","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012302","19.5985","0.0003","11.9918","0.0002","15.9131","0.0002","90","","109.826","0.0006","90","","3518.24","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-dibromotetrakis(5-tert-butylpyrazole-N^2^)copper(II)","","- C28 H48 Br2 Cu N8 -","- C28 H48 Br2 Cu N8 -","- C112 H192 Br8 Cu4 N32 -","4","0.5","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.03","0.0263","","","","0.0702","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012303","11.401","0.003","6.118","0.002","12.262","0.004","90","","107.09","0.02","90","","817.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluorobenzene‒trans-stilbene (1/1)","","- C20 H12 F6 -","- C20 H12 F6 -","- C40 H24 F12 -","2","0.5","BM1463","Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.; Robins, Edward G.","Arene‒perfluoroarene interactions in crystal engineering. 4. Hexafluorobenzene‒<i>trans</i>-stilbene (1/1)","Acta Crystallographica Section C","2001","57","11","1303","1305","10.1107/S0108270101013294","","","0.71073","MoKα","","0.107","0.0776","","","","0.207","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012304","8.581","0.003","6.321","0.002","15.355","0.002","90","","98.16","0.01","90","","824.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","OFN-TTF","Octafluoronaphthalene-tetrathiafulvalene (1/1)","","- C16 H4 F8 S4 -","- C16 H4 F8 S4 -","- C32 H8 F16 S8 -","2","0.5","BM1464","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.; Perepichka, Dmitrii F.","Arene‒perfluoroarene interactions in crystal engineering. 5. Octafluoronaphthalene‒tetrathiafulvalene (1/1)","Acta Crystallographica Section C","2001","57","11","1306","1307","10.1107/S0108270101013075","","","0.71073","MoKα","","0.027","0.023","","","","0.06","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012305","12.534","0.002","13.044","0.002","17.633","0.002","104.059","0.009","96.781","0.009","114.31","0.01","2469.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Bis(diphenylphosphino)methane)-(1,3-bis(diphenylphosphino)propane) -platinum(II) dibromide","","- C52 H48 Br2 P4 Pt -","- C52 H48 Br2 P4 Pt -","- C104 H96 Br4 P8 Pt2 -","2","1","BM1466","Günes̨, Bi̇lal; Nergi̇z , Emel; i̇de, Semra; s̨ahi̇n, Ertan; İri̇s̨li̇, Sevi̇l","[Bis(diphenylphosphino)methane][1,3-bis(diphenylphosphino)propane]platinum(II) dibromide","Acta Crystallographica Section C","2001","57","11","1282","1284","10.1107/S0108270101014159","","","0.71073","MoKα","","0.0963","0.0448","","","","0.1544","","","","","","1.278","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012306","22.469","0.005","4.6467","0.0009","16.501","0.003","90","","90","","90","","1722.8","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","DA1200","Zhang, Fuyi; Du, Chen-xia; Liu, Hong-Min; Zhu, Yu","A novel glycoside lactone derivative with a 2-C-unsaturated diester substituent","Acta Crystallographica Section C","2001","57","11","1361","1362","10.1107/S0108270101015505","","","0.71073","MoKα","","0.0708","0.0536","","","","0.1031","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012307","8.971","0.002","14.195","0.003","10.358","0.002","90","","112.24","0.03","90","","1220.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-bis(dimethyl sulphoxide)dinitratopalladium(II)","","- C4 H12 N2 O8 Pd S2 -","- C4 H12 N2 O8 Pd S2 -","- C16 H48 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfoxide-<i>S</i>)dinitratopalladium(II) and <i>cis</i>-dinitratobis(1,4-oxathiane-<i>S</i>)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0526","0.0327","","","","0.0718","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012308","8.9697","0.0018","9.3263","0.0019","18.317","0.004","90","","97.56","0.03","90","","1519","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dinitratobistioxanepalladium(II)","","- C8 H16 N2 O8 Pd S2 -","- C8 H16 N2 O8 Pd S2 -","- C32 H64 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfoxide-<i>S</i>)dinitratopalladium(II) and <i>cis</i>-dinitratobis(1,4-oxathiane-<i>S</i>)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0699","0.0403","","","","0.0936","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012309","7.695","0.0015","14.828","0.003","8.006","0.0016","90","","112.11","0.03","90","","846.3","0.3","206","2","206","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2-Fluorophenylimino)tripyrrolylphosphorane","","","- C18 H16 F N4 P -","- C18 H16 F N4 P -","- C36 H32 F2 N8 P2 -","2","1","FR1341","Bell, Stephen A.; Meyer, Tara Y.; Geib, Steven J.","(2-Fluorophenylimino)tri(1-pyrrolyl)phosphorane","Acta Crystallographica Section C","2001","57","11","1341","1342","10.1107/S0108270101013877","","","0.71073","MoKα","","0.0517","0.0378","","","","0.0889","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012310","12.6428","0.0013","15.351","0.004","17.868","0.008","111.91","0.03","94.05","0.03","90.48","0.02","3207","1.8","296","","296","","","","","","","","","5","P -1","-P 1","2","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn)","","- C33 H22 Mn2 O8 P2 -","- C33 H22 Mn2 O8 P2 -","- C132 H88 Mn8 O32 P8 -","4","2","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.061","0.041","","0.086","","0.044","","","1.4","","","1.6","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012311","18.286","0.002","18.286","0.002","41.345","0.006","90","","90","","90","","13825","3","294","","294","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate","","- C36.5 H26 Mn2 O8 P2 -","- C36.5 H24.5 Mn2 O8 P2 -","- C584 H392 Mn32 O128 P32 -","16","1","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.065","0.045","","0.079","","0.038","","","1.32","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012312","6.988","0.002","12.031","0.003","12.869","0.004","90","","103.33","0.02","90","","1052.8","0.5","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Dicarba-closo-dodecaborane(12)-1-carboxylic acid","","- C3 H12 B10 O2 -","- C3 H12 B10 O2 -","- C12 H48 B40 O8 -","4","1","GD1160","Welch, Alan J.; Venkatasubramanian, Ulaganathan; Rosair, Georgina M.; Ellis, David; Donohoe, David J.","Crystal engineering with heteroboranes. I. 1-Carboxy-1,2-dicarba-<i>closo</i>-dodecaborane(11)","Acta Crystallographica Section C","2001","57","11","1295","1296","10.1107/S0108270101010204","","","0.71073","MoKα","","0.054","0.043","","","","0.119","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012313","12.4478","0.0007","12.488","0.0008","15.6692","0.0009","75.954","0.001","76.134","0.001","79.438","0.001","2273.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(2,6-dichloropyrazine-N^4^)zinc(II)","","- C8 H4 Cl6 N4 Zn -","- C8 H4 Cl6 N4 Zn -","- C48 H24 Cl36 N24 Zn6 -","6","3","GD1164","Hu, Chunhua; Englert, Ulli","Twinned dichlorobis(2,6-dichloropyrazine-<i>N</i>^4^)zinc(II)","Acta Crystallographica Section C","2001","57","11","1251","1252","10.1107/S0108270101012136","","","0.71073","MoKα","","0.074","0.038","","","","0.077","","","","","","0.808","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012314","9.441","0.004","8.085","0.003","20.666","0.011","90","","93.49","0.001","90","","1574.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[Cadmium(II)-μ-4,4'-oxydianiline-N:N'-di-μ-thiocyanato-N:S]","","- C14 H12 Cd N4 O S2 -","- C14 H12 Cd N4 O S2 -","- C56 H48 Cd4 N16 O4 S8 -","4","0.5","GD1168","Chen, Hong-Ji; Yu, Wen-Juan; Chen, Xiao-Ming; Zheng, Wen-Jie","Poly[cadmium(II)-μ-4,4'-oxydianiline-<i>N</i>:<i>N</i>'-di-μ-thiocyanato-<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","2001","57","11","1285","1287","10.1107/S0108270101014305","","","0.71073","MoKα","","0.04","0.03","","","","0.083","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012315","8.328","0.0003","8.393","0.0003","10.212","0.0004","90","","106.696","0.002","90","","683.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3β,3aβ,7β,8aα)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl- 1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-methanoazulen-2-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71073","MoKα","","0.033","0.031","","","","0.08","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012316","6.0402","0.0013","31.423","0.004","7.7111","0.0013","90","","107.469","0.015","90","","1396.1","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3β,3aβ,7β)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl-2,3,3a,4,5,6,7,8- octahydro-3a,7-methanoazulen-2-one","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71069","MoKα","","0.126","0.048","","","","0.142","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012317","34.149","0.011","7.654","0.003","6.144","0.002","90","","98.02","0.03","90","","1590.2","1","160","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium phenoxyacetate hemihydrate","","- C8 H8 Na O3.5 -","- C8 H8 Na O3.5 -","- C64 H64 Na8 O28 -","8","1","GD1176","Evans, James M. B.; Kapitan, Anoop; Rosair, Georgina M.; Roberts, Kevin J.; White, Graeme","Sodium phenoxyacetate hemihydrate","Acta Crystallographica Section C","2001","57","11","1277","1278","10.1107/S0108270101013762","","","0.71073","MoKα","","0.0674","0.052","","","","0.1393","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012318","16.823","0.002","8.36","0.006","17.461","0.003","90","","118.33","0.01","90","","2161.6","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4,5,7-tetranitrofluorene-9-ylidene)propanedinitrile chlorobenzene solvate","","- C22 H9 Cl N6 O8 -","- C22 H9 Cl N6 O8 -","- C88 H36 Cl4 N24 O32 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.05","0.038","","","","0.092","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012319","6.984","0.001","15.088","0.002","23.217","0.002","90","","90","","90","","2446.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,5,7-tetranitrofluoren-9-one bis(chlorobenzene) solvate","","- C25 H14 Cl2 N4 O9 -","- C25 H14 Cl2 N4 O9 -","- C100 H56 Cl8 N16 O36 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.142","0.076","","","","0.15","","","","","","1.255","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012320","7.4878","0.0009","10.1793","0.0012","11.022","0.0013","69.955","0.002","83.957","0.002","79.806","0.002","775.85","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl (4aS*,6S*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.04","0.035","","","","0.1","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012321","27.666","0.009","5.066","0.002","22.793","0.007","90","","105.149","0.005","90","","3083.6","1.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl (4aS*,6R*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C128 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.063","0.05","","","","0.126","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012322","14.1076","0.0019","11.3501","0.0015","7.7762","0.001","90","","96.28","0.002","90","","1237.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,9R*,10aS*,10bR*)-9-methoxy-1,3a,4,6,7,8,9,10,10a,10b-decahydro-2-oxa- 3H-cyclohepta[e]inden-1,3,8-trione","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.043","0.035","","","","0.1","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012323","14.676","0.002","9.967","0.002","18.937","0.003","90","","90","","90","","2770","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1S*,2R*,9S*,10aR*)-9-methoxy-8-oxo-1,2,3,5,6,7,8,9,10,10a-decahydro- benzocyclooctene-1,2-dicarboxylic acid","","- C15 H20 O6 -","- C15 H20 O6 -","- C120 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.6892","synchrotron","","0.118","0.084","","","","0.231","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012324","10.53","0.001","11.469","0.001","11.491","0.001","109.589","0.008","112.69","0.008","97.64","0.009","1150","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzoyl}benzoic acid","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C52 H56 N4 O10 -","2","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.066","0.05","","","","0.152","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012325","16.122","0.001","12.682","0.001","11.92","0.001","90","","97.139","0.007","90","","2418.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzamido}benzoic acid","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.177","0.053","","","","0.164","","","","","","0.963","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012326","18.681","0.001","9.565","0.001","14.837","0.001","90","","111.904","0.007","90","","2459.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]amilinocarbonyl} benzoic acid monohydrate","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C104 H124 N12 O24 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.093","0.049","","","","0.151","","","","","","1.022","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012327","23.6298","0.0006","9.6215","0.0003","14.2657","0.0004","90","","120.293","0.0016","90","","2800.51","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9- tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one-ethanol (1/1)","","- C30 H33 Cl N4 O5 -","- C30 H33 Cl N4 O5 -","- C120 H132 Cl4 N16 O20 -","4","1","GG1082","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Mejía, Diana","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one‒ethanol (1/1)","Acta Crystallographica Section C","2001","57","11","1356","1358","10.1107/S0108270101014913","","","0.71073","MoKα","","0.055","0.043","","","","0.098","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012328","10.78","0.002","10.78","0.002","13.449","0.002","90","","90","","120","","1353.5","0.4","293","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ca1.73 Ge3 Na2.54 O9 -","- Ca1.73 Ge3 Na2.54 O9 -","- Ca10.38 Ge18 Na15.24 O54 -","6","1","IZ1014","Nishi, Fumito","Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~","Acta Crystallographica Section C","2001","57","11","1231","1233","10.1107/S0108270101012963","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012329","16.0054","0.0001","13.02","0.0001","17.2445","0.0001","90","","105.29","0.01","90","","3466.39","0.17","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]","","- C37 H39 B5 O Os P2 -","- C37 H38 B5 O Os P2 -","- C148 H152 B20 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.028","0.026","","","","0.059","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012330","10.4617","0.0001","15.6821","0.0001","22.6315","0.0003","90","","91.08","0.01","90","","3712.3","0.07","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[6-carbonyl-6,6-bis(triphenylphosphine)-nido-6-osmadecaborane(13)]","","- C37 H43 B9 O Os P2 -","- C37 H41 B9 O Os P2 -","- C148 H164 B36 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.084","0.057","","","","0.116","","","","","","1.179","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012331","8.173","0.001","8.173","0.001","20.278","0.004","90","","90","","90","","1354.5","0.4","293","2","293","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","","Potassium Silver Tin Selenide","","- Ag2 K2 Se6 Sn2 -","- Ag2 K2 Se6 Sn2 -","- Ag8 K8 Se24 Sn8 -","4","0.25","IZ1017","Guo, Hongyou; Li, Zhenghe; Yang, Lin; Wang, Ping; Huang, Xiaoying; Li, Jing","Potassium silver tin selenide, K~2~Ag~2~Sn~2~Se~6~","Acta Crystallographica Section C","2001","57","11","1237","1238","10.1107/S0108270101014299","","","0.71073","MoKα","","0.088","0.0306","","","","0.0476","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012332","7.948","0.002","10.208","0.002","14.362","0.003","85.693","0.005","82.008","0.005","89.172","0.005","1150.6","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","[Cu(H~2~PO~4~)~2~(H~2~O)~2~(4,4'-bipy)~2~]","Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)","","- C20 H24 Cu N4 O10 P2 -","- C20 H24 Cu N4 O10 P2 -","- C40 H48 Cu2 N8 O20 P4 -","2","1","JZ1468","Abu-Shandi, Khalid; Janiak, Christoph; Kersting, Berthold","Diaquabis(4,4'-bipyridine-<i>N</i>)bis(dihydrogenphosphato-<i>O</i>)copper(II): blocking of extended metal‒ligand coordination by hydrogen bonding","Acta Crystallographica Section C","2001","57","11","1261","1264","10.1107/S0108270101012914","","","0.71073","MoKα","","0.0718","0.0361","","","","0.0959","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012333","5.7971","0.0012","6.5933","0.0014","5.4179","0.0012","90","","109.394","0.004","90","","195.33","0.07","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Tripotassium oxoantimonate(V)","","- K3 O4 Sb -","- K3 O4 Sb -","- K6 O8 Sb2 -","2","0.5","JZ1475","Hirschle, Christian; Rosstauscher, Jürgen; Röhr, Caroline","Potassium oxoantimonate(V), K~3~[SbO~4~]","Acta Crystallographica Section C","2001","57","11","1239","1241","10.1107/S0108270101014342","","","0.7107","MoKα","","0.05","0.048","","","","0.122","","","","","","1.238","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012334","11.855","0.001","15.955","0.001","22.391","0.001","90","","103.77","0.01","90","","4113.5","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(isoquinoline-1-carboxylato-O,N)(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II)","","- C24 H18 Cl Cu N3 O2 -","- C24 H18 Cl Cu N3 O2 -","- C192 H144 Cl8 Cu8 N24 O16 -","8","2","NA1524","Lemoine, Pascale; Viossat, Bernard","Chloro(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(isoquinoline-1-carboxylato-<i>O</i>,<i>N</i>)copper(II)","Acta Crystallographica Section C","2001","57","11","1248","1250","10.1107/S0108270101011799","","","0.71073","MoKα","","0.065","0.041","","","","0.118","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012335","15.983","0.001","6.5095","0.0004","29.068","0.001","90","","102.28","0.0005","90","","2955.1","0.3","123","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Cu N4 O6 -","- C13 H9 Cu N4 O6 -","- C104 H72 Cu8 N32 O48 -","8","4","OA1117","Kato, Takayuki; Sugimoto, Kunihisa; Yamasaki, Mikio","Aqua[<i>N</i>-(6-carboxylato-κ<i>O</i>-pyridine-2-carbonyl-κ<i>N</i>)-<small>L</small>-histidinato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2001","57","11","1256","1258","10.1107/S0108270101012331","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.34","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012336","12.8232","0.0005","22.4666","0.0008","26.612","0.001","90","","90.201","0.002","90","","7666.7","0.5","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxocyclooctadeca-2,11-diene propanone solvate","","- C29 H30 K Ni O7 S10 -","- C29 H30 K Ni O7 S10 -","- C232 H240 K8 Ni8 O56 S80 -","8","1","OA1119","Shitagami, Kozo; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Robertson, Neil","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene propanone solvate","Acta Crystallographica Section C","2001","57","11","1271","1273","10.1107/S0108270101013713","","","0.7107","MoKα","","","0.0349","","","","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012337","8.6307","0.0018","26.69","0.006","13.119","0.002","90","","102.305","0.015","90","","2952.6","1","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(NO~3~)(tmen)(NIT2py)]PF6.CH2Cl2","[4,5-Dihydro-4,4,5,5-tetramethyl-2-(2-pyridyl-κN)imidazol-1-oxyl 3-oxide-κO^3^](nitrato-κ^2^O,O')(N,N,N',N'-tetramethyl-1,2-ethanediamine- κ^2^N,N')nickel(II) hexafluorophophate dichloromethane solvate","","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C76 H136 Cl8 F24 N24 Ni4 O20 P4 -","4","1","OA1122","Yoshida, Takafumi; Suzuki, Takayoshi; Kaizaki, Sumio","A nitronyl nitroxide complex of nickel(II) with nitrate as a ligand","Acta Crystallographica Section C","2001","57","11","1274","1276","10.1107/S0108270101013725","","","0.71069","MoKα","","0.1634","0.0473","","","","0.1535","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012338","4.299","0.003","9.065","0.0016","14.262","0.006","90","","92.67","0.05","90","","555.2","0.5","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrogen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.08","0.046","","","","0.125","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012339","4.2418","0.0007","9.0258","0.0012","14.217","0.003","90","","94.335","0.015","90","","542.75","0.16","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrgen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.053","0.037","","","","0.096","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012340","25.675","0.009","11.602","0.003","10.53","0.004","90","","90","","90","","3136.7","1.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetrachloro bisphenol A","3,5,3',5'-Tetrachloro-4,4'-dihydroxy-diphenyl-dimethl-methane","","- C15 H12 Cl4 O2 -","- C15 H12 Cl4 O2 -","- C120 H96 Cl32 O16 -","8","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.177","0.054","","","","0.075","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012341","19.545","0.003","30.971","0.004","10.0335","0.0019","90","","90","","90","","6073.6","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Tribromo bisphenol A","3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H13 Br3 O2 -","- C15 H13 Br3 O2 -","- C240 H208 Br48 O32 -","16","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.028","0.026","","","","0.063","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012342","12.0038","0.0016","12.0038","0.0016","11.618","0.003","90","","90","","90","","1674.1","0.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Tetrabromo bisphenol A","3,3',5,5'-Tetrabromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H12 Br4 O2 -","- C15 H12 Br4 O2 -","- C60 H48 Br16 O8 -","4","0.5","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.105","0.039","","","","0.06","","","","","","0.814","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012343","9.303","0.0005","9.303","0.0005","11.0864","0.0008","90","","90","","120","","830.94","0.09","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Tetracalcium iridium hexaoxide","","- Ca4 Ir O6 -","- Ca4 Ir O6 -","- Ca24 Ir6 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012344","9.2876","0.0004","9.2876","0.0004","11.02","0.0008","90","","90","","120","","823.23","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium magnesium iridium hexaoxide","","- Ca3.34 Ir Mg0.66 O6 -","- Ca3.338 Ir Mg0.66 O6 -","- Ca20.028 Ir6 Mg3.96 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.016","0.015","","","","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012345","9.2641","0.0003","9.2641","0.0003","11.0298","0.0005","90","","90","","120","","819.79","0.05","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium zinc iridium hexaoxide","","- Ca3.5 Ir O6 Zn0.5 -","- Ca3.5 Ir O6 Zn0.5 -","- Ca21 Ir6 O36 Zn3 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.034","0.031","","","","0.077","","","","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012346","8.391","0.002","16.866","0.003","11.791","0.002","90","","98.91","0.02","90","","1648.6","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly{[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]}","","- C10 H16 Co Cu K N10 -","- C10 H16 Co Cu K N10 -","- C40 H64 Co4 Cu4 K4 N40 -","4","0.5","SK1474","Li, Baolong; Shen, Xiaoping; Zou, Jianzhong; Xu, Zheng; Yu, Kaibei","A three-dimensional porous framework complex, poly[[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]]","Acta Crystallographica Section C","2001","57","11","1242","1244","10.1107/S0108270101009490","","","0.71073","MoKα","","0.028","0.024","","","","0.062","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012347","8.3265","0.0007","25.364","0.002","7.0865","0.0006","90","","113.427","0.001","90","","1373.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag(2CNpy)(mu-2CNpy)]2(BF4)2","Bis(μ-2-cyanopyridine-N:N')bis[(2-cyanopyridine-N)silver(I)] bis(tetrafluoroborate)","","- C24 H16 Ag2 B2 F8 N8 -","- C24 H16 Ag2 B2 F8 N8 -","- C48 H32 Ag4 B4 F16 N16 -","2","0.5","SK1494","Blake, Alexander J.; Champness, Neil R.; Nicolson, James E. B.; Wilson, Claire","Bis(μ-2-cyanopyridine-<i>N</i>:<i>N</i>')bis[(2-cyanopyridine-<i>N</i>)silver(I)] bis(tetrafluoroborate): an anion-linked molecular ladder","Acta Crystallographica Section C","2001","57","11","1290","1291","10.1107/S0108270101013956","","","0.71073","MoKα","","0.0291","0.0266","","","","0.058","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012348","10.6639","0.0002","14.4016","0.0003","19.7744","0.0004","90","","105.27","0.0013","90","","2929.68","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo{N-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline- κ^2^N,P}nickel","","- C31 H32 Br2 N Ni P -","- C31 H32 Br2 N Ni P -","- C124 H128 Br8 N4 Ni4 P4 -","4","1","SK1498","Crossetti, Geraldo L.; Filgueiras, Carlos A. L.; Howie, R. Alan; Wardell, James L.; Ziglio, Claudio M.","Dibromo{<i>N</i>-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline-κ^2^<i>N</i>,<i>P</i>}nickel","Acta Crystallographica Section C","2001","57","11","1279","1281","10.1107/S0108270101013907","","","0.71073","MoKα","","0.0618","0.0363","","","","0.0826","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012349","10.4516","0.0001","11.3466","0.0001","12.5599","0.0001","90","","90","","90","","1489.48","0.02","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-bromo-4-deoxysucrose","","- C12 H21 Br O10 -","- C12 H21 Br O10 -","- C48 H84 Br4 O40 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0183","0.0173","","","","0.0424","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012350","7.6133","0.0001","9.4705","0.0001","23.2227","0.0002","90","","90","","90","","1674.4","0.03","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1',6'-dibromo-4-fluoro-4,1',6'-trideoxysucrose monohydrate","","- C12 H21 Br2 F O9 -","- C12 H21 Br2 F O9 -","- C48 H84 Br8 F4 O36 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0275","0.0241","","","","0.0606","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012351","10.44","0.002","27.647","0.005","8.012","0.002","90","","90","","90","","2312.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C80 H128 N8 O36 -","4","1","SX1111","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^2^-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)acetamidine","Acta Crystallographica Section C","2001","57","11","1297","1298","10.1107/S0108270101011465","","","0.71069","MoKα","","0.103","0.069","","","0.182","","","","1.118","1.099","1.099","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012352","10.7631","0.0004","13.1751","0.0004","12.5623","0.0005","90","","96.887","0.002","90","","1768.54","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","HIV protease inhibitor KNI-272: iQoa-Mta-Apns-Thz-tBu","3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo- 4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolane-4-carboxamide","","- C33 H42.61 N5 O6.81 S2 -","- C33 H42.606 N5 O6.803 S2 -","- C66 H85.212 N10 O13.606 S4 -","2","1","SX1119","Doi, Mitsunobu; Ishida, Toshimasa; Katsuya, Yoshio; Sasaki, Masahiro; Taniguchi, Taizo; Hasegawa, Hiroshi; Mimoto, Tsutomu; Kiso, Yoshiaki","KNI-272, a highly selective and potent peptidic HIV protease inhibitor","Acta Crystallographica Section C","2001","57","11","1333","1335","10.1107/S0108270101013701","","","0.836","synchrotron","","0.073","0.067","","","","0.191","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012353","14.238","0.004","11.053","0.005","14.426","0.005","90","","111.979","0.018","90","","2105.3","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i>","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1671","0.0483","","","","0.1795","","","","","","0.947","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012354","12.291","0.005","13.075","0.005","7.099","0.003","93.85","0.05","104.33","0.04","111.52","0.03","1012.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from <i>Melicope ellyrana</i>","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1544","0.0554","","","","0.1987","","","","","","0.995","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012355","6.8622","0.0002","10.8244","0.0001","12.3446","0.0003","90","","90","","90","","916.95","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cerbinal","Methyl 1-formyl-6-oxa-6H-indene-4-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","TA1345","Laphookhieo, Surat; Karalai, Chatchanok; Chantrapromma, Suchada; Fun, Hoong-Kun; Usman, Anwar; Rat-a-pa, Yanisa; Chantrapromma, Kan","Atomic charges of cerbinal","Acta Crystallographica Section C","2001","57","11","1352","1353","10.1107/S0108270101014317","","","0.71073","MoKα","","0.0782","0.0561","","","","0.1446","","","","","","1.007","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012356","12.359","0.002","18.443","0.003","16.984","0.002","90","","101.9","0.014","90","","3788.1","1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(diethyl ether-O)bis[2,6-diisopropyl-N-(trimethylsilyl)aniline-N]magnesium(II)","","- C34 H62 Mg N2 O Si2 -","- C34 H62 Mg N2 O Si2 -","- C136 H248 Mg4 N8 O4 Si8 -","4","1","TR1003","Kennedy, Alan R.; Mulvey, Robert E.; Schulte, J. Hilko","A monomeric three-coordinate magnesium bis(amide)","Acta Crystallographica Section C","2001","57","11","1288","1289","10.1107/S0108270101014408","","","0.71069","MoKα","","0.095","0.038","","","","0.116","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012357","31.385","0.002","9.129","0.001","16.84","0.001","90","","115.52","","90","","4354.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazolo[3,4-d]pyrimidin","1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H- pyrazolo[3,4-d]pyrimidin-4-one)","","- C19 H24 N8 O2 S2 -","- C19 H24 N8 O2 S2 -","- C152 H192 N64 O16 S16 -","8","1","VJ1145","Avasthi, Kamlakar; Aswal, Sangeeta; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of an ethyl group in comparison with a methyl group","Acta Crystallographica Section C","2001","57","11","1324","1325","10.1107/S0108270101013518","","","0.71073","MoKα","","0.044","0.036","","","","0.097","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012358","13.2825","0.0009","14.9093","0.0011","8.9376","0.001","98.002","0.008","102.662","0.008","63.762","0.005","1547.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-cadmium(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Cd N4 O12 S2 -","- C26 H38 Cd N4 O12 S2 -","- C52 H76 Cd2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.069","0.039","","","0.102","0.115","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012359","12.588","0.002","15.934","0.003","7.9944","0.0014","91.791","0.014","91.343","0.014","72.965","0.013","1532.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-mercury(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Hg N4 O12 S2 -","- C26 H38 Hg N4 O12 S2 -","- C52 H76 Hg2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.171","0.05","","","0.119","0.159","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012360","3.841","0.001","16.073","0.004","13.234","0.003","90","","91.15","0.02","90","","816.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1H-Tetrazol-1-yl)benzoic acid","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","AV1091","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.; Ivashkevich, Oleg A.","2-(1<i>H</i>-Tetrazol-1-yl)benzoic acid","Acta Crystallographica Section C","2001","57","12","1436","1437","10.1107/S0108270101016006","","","0.71069","MoKα","","0.0474","0.0377","","","0.1029","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012361","8.783","0.003","18.594","0.007","21.556","0.012","90","","94.05","0.04","90","","3512","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate.","","- C30 H28 Mn N6 O9 S4 -","- C30 H28 Mn N6 O9 S4 -","- C120 H112 Mn4 N24 O36 S16 -","4","1","BK1621","Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>)manganese(II) tetrathionate trihydrate","Acta Crystallographica Section C","2001","57","12","1403","1404","10.1107/S0108270101016481","","","0.71073","MoKα","","0.116","0.053","","","0.102","0.124","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012362","7.5878","0.0007","4.1397","0.0004","6.0594","0.0006","90","","101.529","0.011","90","","186.49","0.03","293","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cadmium oxide chloride","Bismuth cadmium dioxide chloride","","- Bi Cd Cl O2 -","- Bi Cd Cl O2 -","- Bi2 Cd2 Cl2 O4 -","2","0.5","BR1340","Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G.","CdBiO~2~Cl: synthesis and powder structure solution","Acta Crystallographica Section C","2001","57","12","1367","1368","10.1107/S0108270101014883","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012363","21.104","0.002","14.486","0.002","18.962","0.002","90","","116.408","0.007","90","","5192","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fac-Re(CO)~3~(dpknph)Cl.dmso","fac-Tricarbonylchloro(di-2-pyridylmethanone p-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","","- C22 H19 Cl N5 O6 Re S -","- C22 H19 Cl N5 O6 Re S -","- C176 H152 Cl8 N40 O48 Re8 S8 -","8","1","DA1194","Bakir, Mohammed","The optical sensor <i>fac</i>-tricarbonylchloro(di-2-pyridylmethanone <i>p</i>-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","12","1371","1373","10.1107/S0108270101013890","","","0.71073","MoKα","","0.0335","0.0266","","","0.0607","0.0641","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","209447","2020-10-21","18:00:00",""
"2012364","24","0.007","8.531","0.003","9.369","0.002","90","","90","","90","","1918.2","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aquabis(3,5-dimethyl-1H-pyrazole-N^2^)(malonato-O,O')copper(II) dihydrate","","- C13 H24 Cu N4 O7 -","- C13 H24 Cu N4 O7 -","- C52 H96 Cu4 N16 O28 -","4","1","DA1196","Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.","Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section C","2001","57","12","1385","1387","10.1107/S0108270101015116","","","0.71073","MoKα","","0.111","0.059","","","0.134","0.157","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012365","14.164","0.002","12.034","0.002","27.648","0.003","90","","90","","90","","4712.6","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)","","- C26 H22 Cd N2 S2 -","- C26 H22 Cd N2 S2 -","- C208 H176 Cd8 N16 S16 -","8","1","DA1203","Wacholtz, William F.; Mague, Joel T.","Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section C","2001","57","12","1400","1402","10.1107/S0108270101015906","","","0.71073","MoKα","","0.1275","0.035","","","0.0839","0.1023","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012366","5.525","0.002","17.444","0.003","8.194","0.002","90","","107.1","0.02","90","","754.8","0.4","293","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C32 H36 N8 -","2","0.5","DA1209","Bayse, Craig A.; Carpenter, Barry K.; Luck, Rudy L.","<i>meso</i>-1,2-Bis(methylazo)-1,2-diphenylethane","Acta Crystallographica Section C","2001","57","12","1429","1430","10.1107/S0108270101015918","","","0.71069","MoKα","","","0.056","","","","0.17","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012367","11.1238","0.0003","9.8718","0.0003","7.1988","0.0002","90","","119.071","0.002","90","","690.92","0.04","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-formylphenylboronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","DA1214","Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.","Space-group revision for 4-formylphenylboronic acid","Acta Crystallographica Section C","2001","57","12","1423","1425","10.1107/S0108270101015621","","","0.71073","MoKα","","0.043","0.038","","","0.099","0.104","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012368","19.967","0.002","7.5484","0.0009","9.1666","0.0013","90","","102.967","0.011","90","","1346.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0641","0.0499","","","0.1464","0.1583","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012370","11.0726","0.0006","20.509","0.001","13.9311","0.0008","90","","112.02","0.001","90","","2932.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N-[Dimethyl(η^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-κN}- (η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","","- C35 H41 N Si Ti -","- C35 H41 N Si Ti -","- C140 H164 N4 Si4 Ti4 -","4","1","FR1316","Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.","{<i>N</i>-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κ<i>N</i>}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","Acta Crystallographica Section C","2001","57","12","1408","1409","10.1107/S010827010101592X","","","0.71073","MoKα","","0.0937","0.0438","","","0.0905","0.1032","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012371","10.411","0.002","23.586","0.006","12.482","0.003","90","","107.71","0.02","90","","2919.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso-octamethylcalix[4]pyrrole dimethyl sulfoxide solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","1","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.2078","0.0707","","","0.1103","0.1522","","","","","","0.969","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012372","10.362","0.003","23.468","0.01","12.373","0.007","90.23","0.04","107.64","0.04","88.35","0.03","2866","2","198","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-octamethylcalix[4]pyrrole - dimethyl sulfoxied solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","2","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.1726","0.0808","","0.2122","","0.1548","","","1.028","","","1.106","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012373","8.566","0.002","13.611","0.003","12.633","0.003","90","","108.54","0.02","90","","1396.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1,5-bis(1-methyl-1H-tetrazol-5-yl-N)-3-oxopentane-O]copper(II)","","- C8 H14 Cl2 Cu N8 O -","- C8 H14 Cl2 Cu N8 O -","- C32 H56 Cl8 Cu4 N32 O4 -","4","1","FR1343","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S.","[1,5-Bis(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>)-3-oxopentane-κ<i>O</i>]dichlorocopper(II)","Acta Crystallographica Section C","2001","57","12","1374","1375","10.1107/S0108270101014640","","","0.71069","MoKα","","0.04","0.033","","","0.088","0.092","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012374","18.8435","0.0017","6.2038","0.0006","13.4129","0.0012","90","","105.534","0.002","90","","1510.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N^1^:N^4^]","","- C5 H5 Cl Cu N2 O3 -","- C5 H5 Cl Cu N2 O3 -","- C40 H40 Cl8 Cu8 N16 O24 -","8","1","FR1345","Nordell, Karen J.; Kass, Dana S.; Smith, Mark D.","A new packing variant of <i>catena</i>-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-<i>O</i>,<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","12","1376","1377","10.1107/S0108270101014639","","","0.71073","MoKα","","0.029","0.025","","","0.062","0.063","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012375","13.478","0.002","14.3841","0.0018","21.381","0.002","97.144","0.01","97.854","0.01","103.405","0.011","3941.6","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","tetrabenzo-24-crown-8 tris(1,2-dichloroethane)","2,5,12,15,22,25,32,35-Octaoxopentacyclo[34.4.0.0^6,11^. 0^16,21^.0^26,31^]tetraconta-6,8,10,16,18,20,26,28,30,36,38,40-dodecaene tris(1,2-dichloroethane) solvate","","- C38 H44 Cl6 O8 -","- C38 H44 Cl6 O8 -","- C152 H176 Cl24 O32 -","4","2","FR1347","Bryan, Jeffrey C.; Levitskaia, Tatiana G.","Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate","Acta Crystallographica Section C","2001","57","12","1457","1459","10.1107/S0108270101014627","","","0.71073","MoKα","","0.078","0.044","","","0.107","0.12","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012376","5.429","0.003","12.005","0.007","14.57","0.008","87.05","0.02","88.96","0.02","79.39","0.02","932.1","0.9","260","2","260","2","","","","","","","","3","P -1","-P 1","2","(±)-3-Oxocyclohexanepropionic acid","(±)-3-(3-Oxocyclohexyl)propionic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1348","Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-(3-Oxocyclohexyl)propionic acid: dual conformational selection and hydrogen bonding in an ε-keto acid","Acta Crystallographica Section C","2001","57","12","1434","1435","10.1107/S0108270101015943","","","0.71073","MoKα","","0.109","0.063","","","0.149","0.175","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012377","8.416","0.0003","12.3127","0.0005","14.7039","0.0004","90","","90","","90","","1523.67","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-6,8-methano-7,7,8a-trimethyl-3-(1-methyl-2- oxopropylidene)-5H-1,4-benzoxazin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012378","10.2905","0.0003","11.8864","0.0005","12.8317","0.0005","90","","90","","90","","1569.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-3-(2-hydroxy-1-methylpropyl)-6,8-methano-7,7,8a- trimethyl-5H-1,4-benzoxazin-2-one","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012379","14.977","0.002","19.832","0.007","11.326","0.002","90","","90","","90","","3364.1","1.4","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ethyl 2-deoxy-4,5,6,8-tetra-O-benzyl-α-D-galacto-3,7-pyranoso-3-octulosonate","","- C38 H42 O8 -","- C38 H42 O8 -","- C152 H168 O32 -","4","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71069","MoKα","","0.075","0.042","","","0.093","0.103","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012380","9.3164","0.0015","13.038","0.002","9.313","0.0015","90","","106.224","0.012","90","","1086.2","0.3","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl 2-deoxy-4,5,6,8-tetra-O-acetyl-α-D-gluco-3,7-pyranoso-3-octulosonate","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71073","MoKα","","0.053","0.038","","","0.099","0.106","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012381","12.106","0.002","7.708","0.002","15.776","0.002","90","","93.997","0.01","90","","1468.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)- 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C20 H40 Cl16 N12 O8 P12 -","4","1","GG1084","Kumar, N. Satish; Kumara Swamy, K. C.","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","Acta Crystallographica Section C","2001","57","12","1421","1422","10.1107/S0108270101015359","","","0.71073","MoKα","","0.036","0.029","","","0.077","0.083","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012382","11.653","0.002","7.3533","0.0012","13.443","0.002","90","","106.19","0.012","90","","1106.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-N:N']","","- C8 H11 Cl2 Cu N3 -","- C8 H11 Cl2 Cu N3 -","- C32 H44 Cl8 Cu4 N12 -","4","1","JZ1473","Näther, Christian; Greve, Jan","<i>catena</i>-Poly[[(acetonitrile-<i>N</i>)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","12","1388","1390","10.1107/S0108270101015384","","","0.71073","MoKα","","0.075","0.029","","","0.065","0.073","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012383","13.566","0.009","9.617","0.002","22.025","0.011","90","","101.73","0.04","90","","2813","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","","- C9 H26 Cr N2 O6 -","- C9 H26 Cr N2 O6 -","- C72 H208 Cr8 N16 O48 -","8","1","LN1120","Chebbi, Hammouda; Driss, Ahmed","4-Ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","Acta Crystallographica Section C","2001","57","12","1369","1370","10.1107/S0108270101008447","","","0.71069","MoKα","","0.064","0.044","","","0.119","0.132","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012384","8.0395","0.0003","16.7881","0.0005","14.8438","0.0005","90","","96.954","0.001","90","","1988.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[Benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one","","- C25 H19 N O4 -","- C25 H19 N O4 -","- C100 H76 N4 O16 -","4","1","LN1121","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1<i>H</i>-indol-2-one","Acta Crystallographica Section C","2001","57","12","1438","1440","10.1107/S0108270101016304","","","0.71073","MoKα","","0.1123","0.0519","","","0.1133","0.1351","","","","","","0.914","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012385","7.1796","0.0018","23.238","0.003","6.5358","0.0016","90","","113.069","0.018","90","","1003.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-N^4^:O,N^1^- [diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-O,N^1^:N^4^- [aquacopper(I)]-μ-bromo]","","- C12 H18 Br2 Cu3 N4 O8 -","- C12 H18 Br2 Cu3 N4 O8 -","- C24 H36 Br4 Cu6 N8 O16 -","2","0.5","LN1122","Näther, Christian; Wriedt, Mario; Jeß, Inke","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>N</i>^4^:<i>O</i>,<i>N</i>^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>O</i>,<i>N</i>^1^:<i>N</i>^4^-[aquacopper(I)-μ-bromo]]","Acta Crystallographica Section C","2001","57","12","1395","1397","10.1107/S0108270101016250","","","0.71073","MoKα","","0.0517","0.026","","","0.059","0.0637","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012386","7.449","0.001","8.941","0.003","11.984","0.002","90","","91.68","0.01","90","","797.8","0.3","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 Cl4 N2 O2 Pd2 S2 -","- C4 H14 Cl4 N2 O2 Pd2 S2 -","- C8 H28 Cl8 N4 O4 Pd4 S4 -","2","0.5","OA1118","Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>anti</i>-Bis(μ-2-ammonioethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)] dihydrate","Acta Crystallographica Section C","2001","57","12","1393","1394","10.1107/S0108270101015736","","","0.7107","MoKα","","","0.0437","","","","0.1082","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012387","10.304","0.002","19.557","0.006","6.4387","0.0013","90","","90","","90","","1297.5","0.5","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.14","0.053","","","0.062","0.075","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012388","18.68","0.006","10.498","0.003","13.125","0.003","90","","93.35","0.02","90","","2569.4","1.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.111","0.046","","","0.101","0.121","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012389","19.76","0.02","10.085","0.007","13.639","0.005","90","","109.09","0.04","90","","2569","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.098","0.047","","","0.098","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012390","6.4233","0.0009","9.0728","0.0018","20.265","0.003","90","","95.7","0.011","90","","1175.2","0.3","122","","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","OS1143","Døssing, Anders; Skands, Martin C.; Madsen, Anders Østergaard","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine","Acta Crystallographica Section C","2001","57","12","1460","1461","10.1107/S0108270101015426","","","1.5418","CuKα","","0.038","0.033","","","0.113","0.119","","","","","","1.003","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012391","7.861","0.0005","6.598","0.0004","14.4339","0.0009","90","","94.915","0.001","90","","745.89","0.08","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane 2,4-dinitrophenolate monohydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","0.5","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.0743","0.0589","","","0.1374","0.1437","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012392","6.3877","0.0004","7.9017","0.0005","14.4042","0.0009","84.412","0.001","86.367","0.001","89.304","0.001","722.11","0.08","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","Hexamethylenetetramine-2,4-dinitrophenol Hydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","1","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.1015","0.0865","","","0.1971","0.2059","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012393","6.446","0.001","10.457","0.002","12.363","0.002","104.28","0.03","92.16","0.03","103.81","0.03","780.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","melaminium sulfate dihydrate","Bis(2,4,6-triamino-1,3,5-triazine-1-ium) sulfate dihydrate","","- C6 H18 N12 O6 S -","- C6 H18 N12 O6 S -","- C12 H36 N24 O12 S2 -","2","1","SK1499","Janczak, Jan; Perpétuo, Genivaldo Julio","Bis(melaminium) sulfate dihydrate","Acta Crystallographica Section C","2001","57","12","1431","1433","10.1107/S0108270101016031","","","0.71073","MoKα","","0.1037","0.0337","","","0.0314","0.0384","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012396","12.4326","0.001","9.5414","0.0007","17.1682","0.0008","90","","97.4","0.005","90","","2019.6","0.2","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenylmethyl-2-(4-methoxyphenyl)-1H-benzimidazole","","- C25 H22 Fe N2 O -","- C25 H22 Fe N2 O -","- C100 H88 Fe4 N8 O4 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.056","0.04","","","0.099","0.11","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012397","11.7089","0.001","13.7888","0.0012","13.2441","0.0011","90","","96.758","0.007","90","","2123.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole","","- C26 H24 Fe N2 O2 -","- C26 H24 Fe N2 O2 -","- C104 H96 Fe4 N8 O8 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.064","0.039","","","0.086","0.096","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012398","9.656","0.0002","10.1195","0.0001","12.3126","0.0002","110.704","0.001","92.659","0.001","115.856","0.001","983.58","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diethyl 1-(p-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","","- C20 H20 F N O5 S -","- C20 H20 F N O5 S -","- C40 H40 F2 N2 O10 S2 -","2","1","SK1510","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ray, Jayanta Kumar; Das Adhikari, Sujit; Datta, Bishnu Pada","Diethyl 1-(<i>p</i>-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2001","57","12","1441","1442","10.1107/S010827010101681X","","","0.71073","MoKα","","0.0778","0.0586","","","0.1491","0.1608","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012399","12.44","0.003","12.44","","14.851","0.007","90","","90","","90","","2298.2","1.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H50 Cl4 Cu4 N12 O20.6 -","- C24 H48 Cl4 Cu4 N12 O20.6 -","- C48 H96 Cl8 Cu8 N24 O41.2 -","2","0.25","TA1319","Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung","A linear cyclic oximate-bridged tetracopper(II) complex","Acta Crystallographica Section C","2001","57","12","1398","1399","10.1107/S0108270101016456","","","0.71073","MoKα","","0.1249","0.066","","","0.1653","0.1834","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012400","8.1634","0.0009","8.572","0.001","10.171","0.001","87.079","0.005","75.833","0.004","75.233","0.006","667.24","0.13","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","TA1336","Yang, Lan; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid vanadium oxide complex with pentacoordinate Co^II^, [CoV~2~O~6~(4,4'-bipy)]","Acta Crystallographica Section C","2001","57","12","1378","1380","10.1107/S0108270101014822","","","0.7107","MoKα","","","0.044","","","","0.174","","","","","","1.924","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012401","8.671","0.0005","16.4284","0.0008","7.8287","0.0007","90","","92.542","0.006","90","","1114.11","0.13","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","1.54178","CuKα","","0.0465","0.0355","","0.1004","0.0928","","","","1.093","1.114","1.114","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012402","15.934","0.007","12.471","0.005","11.436","0.005","90","","110.48","0.05","90","","2128.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","0.71073","MoKα","","0.0976","0.0539","","0.1634","0.1395","","","","1.038","1.117","1.117","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012403","12.802","0.007","7.0425","0.001","14.97","0.01","90","","107.44","0.03","90","","1287.6","1.1","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O11 -","- C23 H36 N2 O11 -","- C46 H72 N4 O22 -","2","1","TR1000","Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio","Cinchoninium <small>L</small>-tartrate tetrahydrate","Acta Crystallographica Section C","2001","57","12","1447","1449","10.1107/S0108270101016365","","","1.5418","CuKα","","0.049","0.046","","","","0.054","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012404","10.268","0.004","9.529","0.003","15.315","0.005","90","","101.023","0.006","90","","1470.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyl distannoxane","","- C16 H40 Cl4 O2 Sn4 -","- C16 H40 Cl4 O2 Sn4 -","- C32 H80 Cl8 O4 Sn8 -","2","0.5","VJ1147","Lu, Yan; Leng, Xuebing; Wang, Honggen; Xie, Qinglan; Li, Jing","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane","Acta Crystallographica Section C","2001","57","12","1391","1392","10.1107/S0108270101015645","","","0.71073","MoKα","","0.0494","0.0287","","","0.0616","0.0678","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012405","7.8444","0.0003","8.4654","0.0003","20.4378","0.0008","90","","94.188","0.001","90","","1353.57","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(diethanolamine-N,O)bis(saccharinato-N)cadmium(II)","","- C22 H30 Cd N4 O10 S2 -","- C22 H30 Cd N4 O10 S2 -","- C44 H60 Cd2 N8 O20 S4 -","2","0.5","AV1092","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","<i>trans</i>-Bis(diethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2002","58","1","m14","m16","10.1107/S0108270101018546","","","0.71073","MoKα","","0.033","0.025","","","0.062","0.064","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012406","20.781","0.002","10.7159","0.0012","17.8255","0.0019","90","","90","","90","","3969.5","0.7","170","2","170","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4,4'-dimethyl-2,2'-bipyridyl)tris[3,3,3-trifluoro-1-(2-thenoyl)acetonato]- europium(III)","","- C36 H24 Eu F9 N2 O6 S3 -","- C36 H24 Eu F9 N2 O6 S3 -","- C144 H96 Eu4 F36 N8 O24 S12 -","4","1","BK1611","Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E.","A triboluminescent europium(III) complex","Acta Crystallographica Section C","2002","58","1","m50","m52","10.1107/S0108270101016432","","","0.71073","MoKα","","0.0347","0.0261","","","0.0573","0.0616","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012407","9.863","0.001","12.065","0.002","8.605","0.001","90","","101.45","0.01","90","","1003.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-Bis(benzoato-O)tetrakis(methanol-O)iron(II)","","- C18 H26 Fe O8 -","- C18 H26 Fe O8 -","- C36 H52 Fe2 O16 -","2","0.5","BK1620","McMullen, Sarah E.; Hagen, Karl S.","<i>trans</i>-Bis(benzoato-<i>O</i>)tetrakis(methanol-<i>O</i>)iron(II): ligand bulk is not structure-determining","Acta Crystallographica Section C","2002","58","1","m48","m49","10.1107/S010827010101873X","","","0.71073","MoKα","","0.029","0.027","","","0.077","0.078","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012408","13.061","0.0007","6.8155","0.0004","20.7293","0.0011","90","","99.677","0.001","90","","1819.01","0.17","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium p-nitrobenzoxasulfamate monohydrate","","- C6 H5 N2 Na O6 S -","- C6 H5 N2 Na O6 S -","- C48 H40 N16 Na8 O48 S8 -","8","1","BM1465","Yazicilar, Turan K.; Andac, Omer; Bekdemir, Yunus; Kutuk, Halil; Yilmaz, Veysel T.; Harrison, William T. A.","Sodium <i>p</i>-nitrobenzoxasulfamate monohydrate","Acta Crystallographica Section C","2002","58","1","m21","m22","10.1107/S0108270101017930","","","0.71069","MoKα","","0.0371","0.03","","","0.0815","0.085","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012409","11.6695","0.0008","18.2129","0.0012","19.194","0.0013","90","","106.42","0.004","90","","3913","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl2 N2 O4 U2 -","- C36 H52 Cl2 N2 O4 U2 -","- C144 H208 Cl8 N8 O16 U8 -","4","1","BM1473","Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene","Acta Crystallographica Section C","2002","58","1","m8","m9","10.1107/S0108270101016961","","","0.71073","MoKα","","0.29","0.0866","","","0.117","0.184","","","","","","0.917","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012410","10.8638","0.0007","9.6264","0.0005","15.9399","0.0009","90","","94.27","0.003","90","","1662.36","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","BM1474","Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo","Bis[2-(2-hydroxyphenoxy)ethyl] ether methanol solvate","Acta Crystallographica Section C","2002","58","1","o14","o15","10.1107/S010827010101664X","","","0.71073","MoKα","","0.0771","0.0452","","","0.1033","0.1194","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012411","7.521","0.0002","15.627","0.0004","8.3657","0.0003","90","","105","0.001","90","","949.72","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(pyrazol-3-yl)phenolato]copper(II) methanol disolvate","","- C20 H22 Cu N4 O4 -","- C20 H22 Cu N4 O4 -","- C40 H44 Cu2 N8 O8 -","2","0.5","BM1476","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Bis[2-(pyrazol-3-yl)phenolato-κ^2^<i>N</i>^2^,<i>O</i>]copper(II) dimethanol solvate","Acta Crystallographica Section C","2002","58","1","m10","m11","10.1107/S0108270101017656","","","0.71073","MoKα","","0.0374","0.0336","","","0.0898","0.093","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012412","10.899","0.0004","5.8759","0.0002","13.3784","0.0005","90","","90","","90","","856.77","0.05","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","Dicaesium silver zinc thiocyanate","dicaesium(I)-μ-thiocyanate-κ^2^N,S-zinc(II)-tetra-μ-thiocyanato-κ^2^S,N- argentate(I)","","- C5 Ag Cs2 N5 S5 Zn -","- C5 Ag Cs2 N5 S5 Zn -","- C10 Ag2 Cs4 N10 S10 Zn2 -","2","0.5","BR1342","Günes̨, Minna; Valkonen, Jussi","Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~]","Acta Crystallographica Section C","2002","58","1","i1","i2","10.1107/S0108270101015463","","","0.71073","MoKα","","0.0483","0.0376","","","0.0829","0.0872","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012413","5.08","0.0002","5.0748","0.0002","8.3009","0.0003","90","","90","","119.625","0.0002","186.023","0.012","473","","473","","","","","","","","","3","P 1 1 21","P 2c","4","","aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","1","BR1343","Graetsch, Heribert A.","Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data","Acta Crystallographica Section C","2002","58","1","i18","i20","10.1107/S0108270101015773","","","1.54056","CuKα","","","","","","","","","","1.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012414","5.0803","0.0002","5.0703","0.0002","8.2992","0.0003","90","","90","","119.604","0.0003","185.87","0.012","463","","473","","","","","","","","","3","P 1 1 21","P 2c","4","","aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","1","BR1343","Graetsch, Heribert A.","Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data","Acta Crystallographica Section C","2002","58","1","i18","i20","10.1107/S0108270101015773","","","1.54056","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012415","12.035","0.002","12.235","0.002","6.541","0.002","90","","114.14","0.02","90","","878.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver tricobalt phosphate bis(hydrogen phosphate)","","- Ag Co3 H2 O12 P3 -","- Ag Co3 H2 O12 P3 -","- Ag4 Co12 H8 O48 P12 -","4","0.5","BR1345","Guesmi, Abderrahmen; Driss, Ahmed","AgCo~3~PO~4~(HPO~4~)~2~","Acta Crystallographica Section C","2002","58","1","i16","i17","10.1107/S0108270101017759","","","0.71069","MoKα","","0.025","0.025","","","0.068","0.068","","","","","","1.216","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012416","12.736","0.0002","5.379","0.0004","8.166","0.0006","90","0.005","90","0.004","90","0.004","559.43","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","vanadium aluminium molybdate","","- Al Mo O7 V -","- Al Mo O7 V -","- Al4 Mo4 O28 V4 -","4","0.5","BR1347","Galy, Jean; Enjalbert, Renée; Rozier, Patrick; Millet, Patrice","The mixed oxide MoVAlO~7~","Acta Crystallographica Section C","2002","58","1","i6","i8","10.1107/S010827010101767X","","","0.71073","MoKα","","0.0486","0.0348","","0.0865","","0.0825","","","","1.106","1.106","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012417","7.8696","0.0001","19.091","0.0002","7.7411","0.0001","90","","93.338","0.001","90","","1161.04","0.02","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","dicaesium calcium disilver thiocyanate dihydrate","dicaesium calcium disilver thiocyanate dihydrate","","- C6 H4 Ag2 Ca Cs2 N6 O2 S6 -","- C6 H4 Ag2 Ca Cs2 N6 O2 S6 -","- C12 H8 Ag4 Ca2 Cs4 N12 O4 S12 -","2","0.5","BR1348","Nättinen, Kalle; Günes̨, Minna; Valkonen, Jussi","Calcium dicaesium silver thiocyanate dihydrate","Acta Crystallographica Section C","2002","58","1","i21","i22","10.1107/S0108270101017413","","","0.71073","MoKα","","0.0397","0.0332","","","0.057","0.0587","","","","","","1.123","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012418","7.7004","0.0004","9.5777","0.0005","16.5825","0.0008","90","","90","","90","","1222.99","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Vanadyl pyrophosphate","Oxovanadium(IV) diphosphate","","- O9 P2 V2 -","- O9 P2 V2 -","- O72 P16 V16 -","8","2","BR1349","Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf","Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K","Acta Crystallographica Section C","2002","58","1","i9","i13","10.1107/S0108270101017553","","","0.70843","synchrotron","","0.0352","0.0306","","","0.0675","0.0684","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012419","9.9348","0.0015","11.5498","0.0017","11.9637","0.0017","71.806","0.003","75.622","0.003","66.844","0.002","1186.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Cu2(tren)2Cl2](1,5-nds)2.5H2O","Di-μ-chloro-bis({2-[N,N-bis(2-aminoethyl)amino-κ^3^N]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate","","- C32 H60 Cl2 Cu2 N8 O17 S4 -","- C32 H58 Cl2 Cu2 N8 O17.04 S4 -","- C32 H58 Cl2 Cu2 N8 O17.04 S4 -","1","0.5","DA1201","Chen, Cai-Hong; Cai, Jiwen; Chen, Xiao-Ming","Di-μ-chloro-bis({2-[<i>N</i>,<i>N</i>-bis(2-aminoethyl)amino-κ^3^<i>N</i>]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate","Acta Crystallographica Section C","2002","58","1","m59","m60","10.1107/S010827010101561X","","","0.71073","MoKα","","0.045","0.041","","","0.114","0.118","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012420","13.381","0.002","20.813","0.002","13.881","0.002","90","","109.68","0.01","90","","3640","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","DA1204","Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","Acta Crystallographica Section C","2002","58","1","o26","o28","10.1107/S0108270101018273","","","1.5418","CuKα","","0.079","0.0536","","","0.1448","0.1628","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012421","7.5272","0.0003","10.194","0.0004","11.578","0.0004","96.227","0.001","98.428","0.001","108.763","0.001","820.55","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","","- C19 H15 Br O3 -","- C19 H15 Br O3 -","- C38 H30 Br2 O6 -","2","1","DA1204","Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul","4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate","Acta Crystallographica Section C","2002","58","1","o26","o28","10.1107/S0108270101018273","","","0.71073","MoKα","","0.0629","0.056","","","0.1414","0.1455","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012422","12.9519","0.0001","18.1406","0.0001","15.6117","0.0002","90","","95.23","0.001","90","","3652.78","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe N3 O S -","- C21 H17 Fe N3 O S -","- C168 H136 Fe8 N24 O8 S8 -","8","2","DA1205","Yang, Jia-Xiang; Tian, Yu-Peng; Liu, Qing-Liang; Xie, Yong-Shu; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","<i>N</i>-(Ferrocenecarbonyl)-<i>N</i>'-(quinolin-8-yl)thiourea","Acta Crystallographica Section C","2002","58","1","m43","m44","10.1107/S0108270101018303","","","0.71073","MoKα","","0.0866","0.046","","","0.0955","0.1049","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012423","10.2447","0.0001","10.3416","0.0001","16.9848","0.0002","90","","103.482","0.001","90","","1749.89","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-diacetyl-3-hydroxy-1,1',3,3'-tetrahydro-3,3'-bisindole-2,2'-dione","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","DA1206","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1,1'-Diacetyl-3-hydroxy-2,2',3,3'-tetrahydro-3,3'-bi(1<i>H</i>-indole)-2,2'-dione","Acta Crystallographica Section C","2002","58","1","o24","o25","10.1107/S0108270101017875","","","0.71073","MoKα","","0.0721","0.0529","","","0.1297","0.138","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012424","8.676","0.005","11.843","0.008","12.279","0.008","80.81","0.01","71.74","0.01","84.6","0.01","1181.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diazido μ~1,3~-azidotetra(1,10-phenanthroline) diCopper(II) azide tetrahydrate","","- C24 H20 Cu N10 O2 -","- C24 H20 Cu N10 O2 -","- C48 H40 Cu2 N20 O4 -","2","1","DE1175","Cheng, Ya-Qian; Hu, Mao-Lin; Wang, Shun; Ye, Ming-De","μ~1,3~-Azido-diazidotetrakis(1,10-phenanthroline)dicopper(II) azide tetrahydrate","Acta Crystallographica Section C","2002","58","1","m12","m13","10.1107/S0108270101016948","","","0.71073","MoKα","","0.065","0.0458","","","0.1078","0.1209","","","","","","1.028","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2012425","12.8651","0.0007","13.7422","0.0007","15.2642","0.0009","70.595","0.002","70.795","0.002","71.944","0.002","2341.9","0.2","173","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 Al4 F30 N2 Si2 Ti2 -","- C96 H88 Al4 F30 N2 Si2 Ti2 -","- C96 H88 Al4 F30 N2 Si2 Ti2 -","1","0.5","FR1315","Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.","A dimeric constrained-geometry titanium complex linked by double Ti‒CH~2~‒Al‒CH~2~ heterocycles","Acta Crystallographica Section C","2002","58","1","m41","m42","10.1107/S0108270101016754","","","0.71073","MoKα","","0.119","0.0518","","","0.0999","0.1225","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012426","25.0078","0.0008","6.7416","0.0001","14.3677","0.0004","90","","92.495","0.001","90","","2419.99","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[penta-aquabis{N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)glycinate}strontium monohydrate]","","- C14 H28 N10 O14 Sr -","- C14 H28 N10 O14 Sr -","- C56 H112 N40 O56 Sr4 -","4","1","FR1349","Glidewell, Christopher; Low, John N.; Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Gutiérrez Valero, M^a^ Dolores","<i>catena</i>-Poly[[[{<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>}pentaaquastrontium]-μ-<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>:<i>O</i>'] monohydrate]: coordination polymer chains linked by hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2002","58","1","m61","m64","10.1107/S0108270101017887","","","0.71073","MoKα","","0.0523","0.0395","","","0.0957","0.1021","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012427","9.684","0.003","27.325","0.007","7.281","0.004","90","","90","","90","","1926.7","1.3","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","(+)-4-Pregnen-3-one-20β-carboxylic acid","(+)-4-Pregnen-3-one-20β-carboxylic acid","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","FR1353","Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxo-4-pregnene-20β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","2002","58","1","o22","o23","10.1107/S0108270101018601","","","0.71073","MoKα","","0.078","0.05","","","0.103","0.114","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012428","32.84","0.005","32.84","0.005","13.918","0.003","90","","90","","120","","12999","4","150","2","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H32 O8 -","- C34 H32 O8 -","- C612 H576 O144 -","18","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.0436","","","","0.1136","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012429","10.027","0.002","10.243","0.002","16.852","0.003","90","","100.39","0.03","90","","1702.4","0.6","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H37 Cl3 O8 -","- C37 H37 Cl3 O8 -","- C74 H74 Cl6 O16 -","2","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.041","","","","0.0995","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012430","24.41","0.02","14.479","0.006","7.63","0.004","90","","90","","90","","2697","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","{5-(dimethylamino)-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}[N-(4- methoxyphenyl)-4-nitrosalicylaldiminato]palladium(II)","","- C30 H28 N4 O5 Pd -","- C30 H28 N4 O5 Pd -","- C120 H112 N16 O20 Pd4 -","4","1","GD1166","Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara","Two orthopalladated chromophores","Acta Crystallographica Section C","2002","58","1","m26","m28","10.1107/S0108270101014147","","","0.71069","MoKα","","0.1659","0.0553","","","0.0979","0.1237","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012431","31.582","0.01","7.5847","0.001","26.557","0.006","90","","104.96","0.03","90","","6146","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[4-(diethylamino)-N-(4-methoxyphenyl)salicylaldiminato]- {5-methoxy-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}palladium(II), dichloromethane hemisolvate","","- C32.5 H33 Cl N4 O5 Pd -","- C32.5 H33 Cl N4 O5 Pd -","- C260 H264 Cl8 N32 O40 Pd8 -","8","1","GD1166","Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara","Two orthopalladated chromophores","Acta Crystallographica Section C","2002","58","1","m26","m28","10.1107/S0108270101014147","","","0.71069","MoKα","","0.1764","0.0611","","","0.1171","0.1506","","","","","","0.975","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012433","23.5477","0.0004","4.9605","0.0001","14.2556","0.0008","90","","100.702","0.001","90","","1636.21","0.1","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","GD1178","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo","A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2002","58","1","o42","o45","10.1107/S0108270101018297","","","0.71073","MoKα","","0.061","0.044","","","0.108","0.124","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012434","9.5849","0.0002","12.3218","0.0004","13.3304","0.0004","83.4617","0.0014","80.2411","0.0017","85.7271","0.0016","1539.04","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","GD1178","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo","A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2002","58","1","o42","o45","10.1107/S0108270101018297","","","0.71073","MoKα","","0.081","0.054","","","0.138","0.154","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012435","7.544","0.001","9.085","0.001","9.302","0.001","89.84","0.01","84.03","0.01","87.98","0.01","633.68","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-4(1H)-pyridinethione","","- C6 H7 N S -","- C6 H7 N S -","- C24 H28 N4 S4 -","4","2","GG1079","Ziȩba, Andrzej; Maślankiewicz, Andrzej; Suwińska, Kinga","Azinyl Sulfides. LXVII. 1-Methylpyridine-4(1<i>H</i>)-thione","Acta Crystallographica Section C","2002","58","1","o32","o33","10.1107/S0108270101018029","","","1.54178","CuKα","","0.0635","0.0459","","","0.1258","0.1349","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012436","6.967","0.003","9.068","0.003","16.007","0.005","90","","91.05","0.03","90","","1011.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aquabromo(hydrogenpicolinato)mercury(II)","Aquabromo(6-carboxypyridine-2-carboxylato-O,N,O')mercury(II)","","- C7 H6 Br Hg N O5 -","- C7 H6 Br Hg N O5 -","- C28 H24 Br4 Hg4 N4 O20 -","4","1","JZ1482","Matković-Čalogović, Dubravka; Popović, Jasminka; Popović, Zora; Picek, Igor; Soldin, Željka","Aquabromo(6-carboxypyridine-2-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>')mercury(II)","Acta Crystallographica Section C","2002","58","1","m39","m40","10.1107/S0108270101018613","","","0.71073","MoKα","","0.06","0.028","","","0.058","0.066","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012437","8.7517","0.0001","17.3654","0.0002","13.0543","0.0002","90","","90.837","0.001","90","","1983.74","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetatobis(trimethylenethiourea)zinc(II) Monohydrate","","- C12 H24 N4 O5 S2 Zn -","- C12 H24 N4 O5 S2 Zn -","- C48 H96 N16 O20 S8 Zn4 -","4","1","LN1123","Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat","Diacetatobis(trimethylenethiourea)zinc(II) monohydrate","Acta Crystallographica Section C","2002","58","1","m31","m33","10.1107/S0108270101017577","","","0.71073","MoKα","","0.0674","0.0544","","","0.1324","0.1384","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012438","12.4995","0.0002","6.6344","0.0001","18.6203","0.0002","90","","107.022","0.001","90","","1476.48","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetramine-2,4,6-trinitrophenol","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","LN1125","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","Hexamethylenetetraminium 2,4,6-trinitrophenolate","Acta Crystallographica Section C","2002","58","1","o46","o47","10.1107/S0108270101018571","","","0.71073","MoKα","","0.0689","0.058","","","0.1474","0.1539","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012439","27.1214","0.0003","7.1327","0.0001","7.4776","0.0001","90","","90","","90","","1446.53","0.03","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Hexamethylenetetramine-4-hydroxy-3-methoxybenzaldehyde","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C56 H80 N16 O12 -","4","1","LN1127","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section C","2002","58","1","o48","o50","10.1107/S0108270101020194","","","0.71073","MoKα","","0.0631","0.0486","","","0.1071","0.1134","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012440","15.963","0.003","16.051","0.003","16.552","0.003","88.59","0.03","62.54","0.03","69.16","0.03","3466.9","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Antimony phthalocyanine - antimony iodide","Tetrakis(phthalocyaninato(2-)antimony(III) hexadecaiodotetraantimony(III)","","- C128 H64 I16 N32 Sb8 -","- C128 H64 I16 N32 Sb8 -","- C128 H64 I16 N32 Sb8 -","1","0.5","NA1539","Janczak, Jan; Idemori, Ynara Marina","Tetrakis[phthalocyaninato(2‒)antimony(III)] hexadecaiodotetraantimony(III)","Acta Crystallographica Section C","2002","58","1","m23","m25","10.1107/S0108270101017590","","","0.71073","MoKα","","0.062","0.0365","","","0.0728","0.0785","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012441","10.083","0.002","12.77","0.003","25.816","0.005","95.64","0.03","96.98","0.03","92.07","0.03","3279.6","1.2","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cl N6 P3 -","- C57 H78 Cl3 N18 P9 -","- C114 H156 Cl6 N36 P18 -","2","1","NA1540","Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.","Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative","Acta Crystallographica Section C","2002","58","1","o51","o54","10.1107/S010827010101770X","","","0.71073","MoKα","","0.115","0.0594","","","0.1375","0.1583","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012442","16.163","0.003","16.298","0.003","17.401","0.004","90","","103.36","0.03","90","","4459.8","1.6","120","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl N6 P3 -","- C19 H26 Cl N6 P3 -","- C152 H208 Cl8 N48 P24 -","8","1","NA1540","Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.","Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative","Acta Crystallographica Section C","2002","58","1","o51","o54","10.1107/S010827010101770X","","","0.71073","MoKα","","","0.0542","","","","0.1245","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012443","16.524","0.004","5.2898","0.0009","17.021","0.003","90","","111.229","0.017","90","","1386.8","0.5","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","NA1541","Crispini, Alessandra; Neve, Francesco","2,6-Diphenylpyridine-4-carboxylic acid","Acta Crystallographica Section C","2002","58","1","o34","o35","10.1107/S0108270101017693","","","0.71073","MoKα","","0.1272","0.0448","","","","0.0892","","","","","","0.872","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012444","10.0709","0.0007","12.6595","0.0008","13.547","0.001","77.016","0.007","75.004","0.006","68.225","0.006","1533.3","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","trans-bis(acetonitrile)-bis(di-2-pyridylsulfide-N,N')-ruthenium(ii) bis(tetrafluoroborate) monohydrate","","- C24 H24 B2 F8 N6 O Ru S2 -","- C24 H24 B2 F8 N6 O Ru S2 -","- C48 H48 B4 F16 N12 O2 Ru2 S4 -","2","1","NA1542","Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Lanza, Santo","<i>trans</i>-Diacetonitrilebis(di-2-pyridyl sulfide-<i>N,N</i>')ruthenium(II) bis(tetrafluoroborate) monohydrate","Acta Crystallographica Section C","2002","58","1","m56","m58","10.1107/S0108270101018091","","","0.71073","MoKα","","0.0443","0.0316","","","0.0772","0.0852","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012445","7.521","0.0007","10.6669","0.0009","13.3202","0.0009","80.185","0.006","82.009","0.007","75.147","0.007","1012.69","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H12 Hg Mn N10 O3 S4 -","- C7 H12 Hg Mn N10 O3 S4 -","- C14 H24 Hg2 Mn2 N20 O6 S8 -","2","1","OB1045","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Poly[[[tri(urea-κ<i>O</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]-tri-μ-tetrathiocyanato]","Acta Crystallographica Section C","2002","58","1","m36","m38","10.1107/S010827010101719X","","","0.71073","MoKα","","0.0321","0.0274","","0.0696","","0.0646","","","1.023","","","1.038","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012446","12.6014","0.0014","3.7706","0.0004","6.274","0.0007","90","","90","","90","","298.11","0.06","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl H2 O2 Sm -","- Cl H2 O2 Sm -","- Cl4 H8 O8 Sm4 -","4","0.5","OS1144","Jouve, Cyril; Marrot, Jerome; Riou, Didier","β-Sm(OH)~2~Cl: a new lamellar variety","Acta Crystallographica Section C","2002","58","1","i14","i15","10.1107/S0108270101016882","","","0.71073","MoKα","","0.0356","0.0254","","","0.0554","0.06","","","","","","1.118","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012447","8.1365","0.0004","12.5177","0.0006","15.7558","0.0008","93.054","0.001","97.494","0.001","98.03","0.001","1571.24","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-2,6-dimethanol)cobalt(II) disaccharinate dihydrate","","- C28 H30 Co N4 O12 S2 -","- C28 H30 Co N4 O12 S2 -","- C56 H60 Co2 N8 O24 S4 -","2","1","OS1148","Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","1","m17","m20","10.1107/S0108270101018807","","","0.71073","MoKα","","0.051","0.035","","","0.088","0.094","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012448","8.1544","0.0004","12.4805","0.0005","15.751","0.0007","93.195","0.001","97.501","0.001","97.877","0.001","1569.85","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-2,6-dimethanol)copper(II) disaccharinate dihydrate","","- C28 H30 Cu N4 O12 S2 -","- C28 H30 Cu N4 O12 S2 -","- C56 H60 Cu2 N8 O24 S4 -","2","1","OS1148","Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","1","m17","m20","10.1107/S0108270101018807","","","0.71073","MoKα","","0.056","0.035","","","0.083","0.09","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012449","7.2679","0.0003","15.0351","0.0007","13.3607","0.0006","90","","91.921","0.001","90","","1459.15","0.11","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Barium(II)-2,4-dinitrophenolate-18-Crown-6","","- C24 H30 Ba N4 O16 -","- C24 H30 Ba N4 O16 -","- C48 H60 Ba2 N8 O32 -","2","0.5","SK1500","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun","Barium(II)‒2,4-dinitrophenolate‒18-crown-6 at 183K","Acta Crystallographica Section C","2002","58","1","m45","m47","10.1107/S0108270101018339","","","0.71073","MoKα","","0.044","0.0381","","","0.1035","0.1206","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012450","10.3705","0.0018","14.903","0.002","20.375","0.004","90","","90","","90","","3149","0.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","μ~4~-oxo-hexa-μ-chloro-tetrakis[(2-methyl-2-thiazoline)copper(II)]","","- C16 H28 Cl6 Cu4 N4 O S4 -","- C16 H28 Cl6 Cu4 N4 O S4 -","- C64 H112 Cl24 Cu16 N16 O4 S16 -","4","0.5","SK1502","Bolos, C. A.; Christidis, P. C.","Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)]","Acta Crystallographica Section C","2002","58","1","m29","m30","10.1107/S0108270101016870","","","0.7107","MoKα","","0.1708","0.0635","","","0.1033","0.127","","","","","","0.901","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012451","28.049","0.007","31.198","0.008","3.727","0.001","90","","90","","90","","3261.4","1.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","nitroxoline","8-hydroxy-5-nitroquinoline","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C144 H96 N32 O48 -","16","1","SK1513","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride","Acta Crystallographica Section C","2002","58","1","o19","o21","10.1107/S0108270101018224","","","1.5418","CuKα","","","","","","","","","","2.104","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012452","7.566","0.004","7.467","0.004","16.334","0.007","90","","92.49","0.03","90","","921.9","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-5-nitroquinolinium chloride","","- C9 H7 Cl N2 O3 -","- C9 H7 Cl N2 O3 -","- C36 H28 Cl4 N8 O12 -","4","1","SK1513","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride","Acta Crystallographica Section C","2002","58","1","o19","o21","10.1107/S0108270101018224","","","1.5418","CuKα","","","","","","","","","","1.85","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012453","10.619","0.002","16.605","0.003","11.966","0.002","90","","104.67","0.03","90","","2041.2","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 S2 -","- C29 H20 S2 -","- C116 H80 S8 -","4","1","SK1514","Kansikas, Jarno; Sipilä, Kaija","An anthracene dimer with a fused 1,3-dithiole ring at 193K","Acta Crystallographica Section C","2002","58","1","o16","o18","10.1107/S0108270101016985","","","1.5418","CuKα","","0.0495","0.0414","","","0.1073","0.1129","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012454","9.6393","0.0004","11.4219","0.0005","17.7338","0.001","76.768","0.0018","87.458","0.0017","74.064","0.003","1827.24","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4'-pyridyl)ethene (1/1)","","- C48 H40 Fe N2 O2 -","- C48 H40 Fe N2 O2 -","- C96 H80 Fe2 N4 O4 -","2","1","SK1515","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane","Acta Crystallographica Section C","2002","58","1","m1","m4","10.1107/S0108270101017152","","","0.71073","MoKα","","0.0815","0.05","","","0.1107","0.1251","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012455","10.2027","0.0002","11.7067","0.0002","14.6172","0.0003","84.978","0.0009","70.2454","0.0008","70.3612","0.0008","1546.88","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,6-diaminohexane","","- C78 H76 Fe2 N2 O4 -","- C78 H76 Fe2 N2 O4 -","- C78 H76 Fe2 N2 O4 -","1","0.5","SK1515","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane","Acta Crystallographica Section C","2002","58","1","m1","m4","10.1107/S0108270101017152","","","0.71073","MoKα","","0.037","0.0315","","","0.078","0.0817","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012456","10.2076","0.0002","10.6559","0.0002","10.9341","0.0002","100.992","0.0016","109.453","0.0014","101.67","0.0011","1054.49","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4'-pyridyl)ethane‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C52 H48 N2 O6 -","- C52 H48 N2 O6 -","- C52 H48 N2 O6 -","1","0.5","SK1516","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions","Acta Crystallographica Section C","2002","58","1","o1","o5","10.1107/S0108270101017139","","","0.71073","MoKα","","0.0564","0.0439","","","0.1136","0.1226","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012457","11.8264","0.0009","14.2158","0.0009","16.8109","0.0012","90","","90","","90","","2826.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(4'-pyridyl)ethene‒1,1,1-tris(4-hydroxyphenyl)ethane‒methanol (1/1/1)","","- C33 H32 N2 O4 -","- C33 H32 N2 O4 -","- C132 H128 N8 O16 -","4","1","SK1516","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions","Acta Crystallographica Section C","2002","58","1","o1","o5","10.1107/S0108270101017139","","","0.71073","MoKα","","0.1006","0.0566","","","0.1226","0.1486","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012458","7.2907","0.0003","8.3423","0.0004","8.4324","0.0004","96.406","0.002","106.359","0.002","90.43","0.003","488.63","0.04","150","2","150","12","","","","","","","","4","P -1","-P 1","2","","N,N'-Dimethylpiperazine‒tartaric acid‒water (1/2/2)","","- C14 H30 N2 O14 -","- C14 H30 N2 O14 -","- C14 H30 N2 O14 -","1","0.5","SK1517","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A structural hierarchy in the hydrogen-bonded adduct <i>N</i>,<i>N</i>'-dimethylpiperazine‒tartaric acid‒water (1/2/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i>~= 3) with substructures having <i>N</i> = 1 and 2","Acta Crystallographica Section C","2002","58","1","o6","o8","10.1107/S0108270101017449","","","0.71073","MoKα","","0.0611","0.04","","","0.0974","0.1087","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012459","7.3982","0.0011","31.854","0.005","9.516","0.002","90","","94.608","0.017","90","","2235.3","0.7","294","1","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCPI-TTF","2-[3-(1-cyano-2-nitriloethylidene)-2-prop-2-enyl-2,3-dihydro- 1H-isoindol-1-yliden]propanedinitrile tetrathiafulvalene (1:1)","","- C23 H13 N5 S4 -","- C23 H13 N5 S4 -","- C92 H52 N20 S16 -","4","1","SK1518","Crean, Colm; Gallagher, John F.; Pratt, Albert C.","2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1<i>H</i>-isoindole-1,3-diylidene]bis(propanedinitrile)‒tetrathiafulvalene (1/1), TCPI‒TTF","Acta Crystallographica Section C","2002","58","1","o36","o38","10.1107/S0108270101017632","","","0.71073","MolybdenumKα","","0.06","0.045","","","0.11","0.121","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012460","3.7303","0.0002","7.6638","0.0004","22.6435","0.0013","90","","90.369","0.002","90","","647.33","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Phthalimide [1H-Isoindole-1,3(2H)-dione]","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C32 H20 N4 O8 -","4","1","SK1520","Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher","Phthalimide at 120K: perforated molecular ribbons containing three different ring motifs","Acta Crystallographica Section C","2002","58","1","o9","o10","10.1107/S0108270101018212","","","0.71073","MoKα","","0.0705","0.0429","","","0.0927","0.1027","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012461","11.2891","0.0003","11.4128","0.0004","13.4504","0.0005","91.217","0.002","114.64","0.003","113.759","0.0015","1403.88","0.1","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","5-(3-(4-methylphenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","2","SK1522","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen","Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","2002","58","1","o39","o41","10.1107/S0108270101018765","","","0.71073","MoKα","","0.137","0.0622","","","0.1346","0.1653","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012462","7.2648","0.0002","7.4705","0.0003","13.5855","0.0006","90.1799","0.0013","99.8452","0.0014","109.576","0.003","683.01","0.05","120","1","120","0.1","","","","","","","","4","P -1","-P 1","2","","5-(3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-[1,3] dioxane-4,6-dione","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","SK1522","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Insuasty, Braulio; Torres, Harlen","Supramolecular structures of 5-[3-(4-methylphenyl)- and 5-[3-(4-chlorophenyl)-2-propenylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","2002","58","1","o39","o41","10.1107/S0108270101018765","","","0.71073","MoKα","","0.0762","0.0525","","","0.1345","0.1531","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012463","13.3507","0.0001","16.8198","0.0002","17.6306","0.0002","90","","113.641","0.0007","90","","3626.8","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒2,2'-dipyridylamine (1/1)","","- C46 H39 Fe N3 O2 -","- C46 H39 Fe N3 O2 -","- C184 H156 Fe4 N12 O8 -","4","1","SK1523","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): a finite cyclic 1:1adduct with 2,2'-dipyridylamine","Acta Crystallographica Section C","2002","58","1","m5","m7","10.1107/S0108270101018844","","","0.71073","MoKα","","0.0446","0.0363","","","0.0896","0.0948","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012464","16.0822","0.0003","9.2422","0.0002","13.2718","0.0002","90","","114.393","0.0008","90","","1796.57","0.06","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1,4,4-tetramethylpiperazinium pentabromothallate(III)","","- C8 H20 Br5 N2 Tl -","- C8 H20 Br5 N2 Tl -","- C32 H80 Br20 N8 Tl4 -","4","0.5","SK1524","Linden, Anthony; Petridis, Alexander; James, Bruce D.","A second polymorph of 1,1,4,4-tetramethylpiperazinium pentabromothallate(III)","Acta Crystallographica Section C","2002","58","1","m53","m55","10.1107/S0108270101019746","","","0.71073","MoKα","","0.0349","0.0292","","","0.066","0.0678","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012465","10.179","0.004","7.933","0.002","23.776","0.006","90","","94.244","0.019","90","","1914.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,20-bis(2-hydroxyethyl)-6,20-diaza-3,9,17,23-hexaazoniatricyclo- [23.3.1.1.^11,15^]triaconta-1(29),11(30),12,14,25,27-hexaene tetrabromide tetrahydrate","","- C28 H58 Br4 N6 O6 -","- C28 H58 Br4 N6 O6 -","- C56 H116 Br8 N12 O12 -","2","0.5","TA1341","Yang, De-Xi; Li, Shu-An; Li, Dong-Feng; Tang, Wen-Xia","A novel binucleating macrocyclic ligand with two alcohol pendants","Acta Crystallographica Section C","2002","58","1","o11","o13","10.1107/S0108270101016146","","","0.71073","MoKα","","0.1058","0.0469","","","0.0984","0.1222","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012466","24.066","0.002","10.017","0.001","7.608","0.001","90","","101.35","0.01","90","","1798.2","0.3","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","Macrocalyxin I","2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren- 2-yl]propenoic acid","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","TA1347","Shi, Hao; Pan, Yuan Jiang","Macrocalyxin I","Acta Crystallographica Section C","2002","58","1","o55","o56","10.1107/S0108270101018625","","","0.71073","MoKα","","0.0576","0.04","","","0.0907","0.0968","","","","","","0.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012467","11.7051","0.0005","8.0381","0.0003","19.8739","0.0007","90","","92.879","0.002","90","","1867.51","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Fe N3 O8 -","- C18 H18 Fe N3 O8 -","- C72 H72 Fe4 N12 O32 -","4","1","TA1352","Yaoyu Feng,; Ong, Say-Leong; Hu, Jiangyong; Ng, Wun-Jern","Aqua(nitrilotriacetato)(1,10-phenanthroline)iron(III) monohydrate: a seven-coordinate iron(III) complex","Acta Crystallographica Section C","2002","58","1","m34","m35","10.1107/S0108270101017036","","","0.71073","MoKα","","0.0743","0.04","","","0.087","0.0975","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012468","8.154","0.001","8.602","0.003","15.005","0.004","90","","102.47","0.02","90","","1027.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H27 N O2 -","- C24.982 H27 N O2 -","- C49.964 H54 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","<small>D</small>-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.107","0.061","","","0.133","0.15","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012469","9.8063","0.0005","6.697","0.001","16.201","0.001","90","","101.455","0.005","90","","1042.77","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-carbonitrile","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C50 H58 N2 O4 -","2","1","AV1086","Lazar, Dušan; Stanković, Slobodanka; Pejanović, Vjera; Courseille, Christiane","<small>D</small>-Secoestrone derivatives. V. 3-Methoxy-17-oxo-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile and 17-hydroxy-3-methoxy-17-phenyl-16,17-secoestra-1,3,5(10)-triene-16-nitrile","Acta Crystallographica Section C","2002","58","2","o63","o65","10.1107/S0108270101018182","","","1.54178","CuKα","","0.044","0.039","","","0.093","0.1","","","","","","0.957","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012470","9.0336","0.0018","10.63","0.002","10.717","0.002","90","","108.78","0.03","90","","974.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[tris(2-aminoethyl)amine]nickel(II) dichoride","","- C12 H36 Cl2 N8 Ni -","- C12 H36 Cl2 N8 Ni -","- C24 H72 Cl4 N16 Ni2 -","2","0.5","AV1089","Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang","Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~","Acta Crystallographica Section C","2002","58","2","m70","m73","10.1107/S0108270101015992","","","0.71073","MoKα","","0.0913","0.0328","","","0.0633","0.0728","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012471","10.147","0.002","11.852","0.002","19.122","0.004","90","","104.44","0.03","90","","2227","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[tris(2-aminoethyl)amine]nickel(II) tetrathiotungstate","","- C12 H36 N8 Ni S4 W -","- C12 H36 N8 Ni S4 W -","- C48 H144 N32 Ni4 S16 W4 -","4","1","AV1089","Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang","Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~","Acta Crystallographica Section C","2002","58","2","m70","m73","10.1107/S0108270101015992","","","0.71073","MoKα","","0.0339","0.0214","","","0.0501","0.0526","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012472","17.643","0.004","14.466","0.002","10.481","0.003","90","","90","","90","","2675","1","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C120 H108 B12 Fe12 O12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0643","0.0392","","","0.0959","0.108","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012473","17.895","0.003","14.792","0.003","10.4806","0.0018","90","","90","","90","","2774.2","0.9","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylborazine","","- C30 H30 B3 Fe3 N3 -","- C30 H30 B3 Fe3 N3 -","- C120 H120 B12 Fe12 N12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.1097","0.0516","","","0.0919","0.1113","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012474","10.896","0.003","10.345","0.004","11.709","0.005","90","","100.213","0.018","90","","1298.9","0.8","154","2","154","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C60 H54 B6 Fe6 O6 -","2","1","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0978","0.0799","","","0.1978","0.2103","","","","","","1.249","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012475","25.6848","0.0018","9.7131","0.001","10.5531","0.0013","90","","111.63","0.006","90","","2447.4","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","0.5","AV1094","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","2,3,6,7-Tetrahydroxy-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene bis(1,4-dioxane) solvate","Acta Crystallographica Section C","2002","58","2","o86","o87","10.1107/S0108270101019035","","","0.71073","MoKα","","0.0686","0.0463","","","0.102","0.1125","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012476","15.6688","0.001","9.6025","0.0005","9.5303","0.0007","90","","90","","90","","1433.93","0.16","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C24 H38 N2 O12 U -","- C24 H38 N2 O12 U -","- C48 H76 N4 O24 U2 -","2","0.5","AV1095","Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo","First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane","Acta Crystallographica Section C","2002","58","2","m84","m86","10.1107/S0108270101019047","","","0.71073","MoKα","","0.0443","0.0388","","","0.0889","0.0911","","","","","","1.203","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2012477","7.8072","0.0005","11.0636","0.0008","17.9361","0.0009","90","","90","","90","","1549.24","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis ((R,R)-tartrato-O^1^,O^2^:O^3^,O^4^)dinickel(II) Trihydrate","","- C8 H18 Ni2 O17 -","- C8 H18 Ni2 O17 -","- C32 H72 Ni8 O68 -","4","1","AV1097","Scherb, Sandra; Näther, Christian; Bensch, Wolfgang","Diaquabis[μ-(<i>R</i>,<i>R</i>)-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^]dinickel(II) trihydrate","Acta Crystallographica Section C","2002","58","2","m135","m136","10.1107/S0108270101021059","","","0.71073","MoKα","","0.0243","0.0238","","","0.0627","0.063","","","","","","1.055","","","","has coordinates,has Fobs","198633","2020-10-21","18:00:00",""
"2012478","6.5676","0.0007","17.2459","0.0018","15.7394","0.0016","90","","96.803","0.01","90","","1770.2","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-2-methylbut-1-en-1-yl-(4-trifluoromethylphenyl)iodonium trifluoromethanesulfonate","","- C13 H13 F6 I O3 S -","- C13 H13 F6 I O3 S -","- C52 H52 F24 I4 O12 S4 -","4","1","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.059","0.049","","","0.134","0.144","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012479","9.1705","0.001","13.4357","0.0015","15.603","0.0017","69.245","0.01","88.342","0.01","74.358","0.01","1726.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","(Z)-2-methylbut-1-en-1-yl-(3,5-dichlorophenyl)iodonium trifluoromethanesulfonate","","- C12 H12 Cl2 F3 I O3 S -","- C12 H12 Cl2 F3 I O3 S -","- C48 H48 Cl8 F12 I4 O12 S4 -","4","2","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.104","0.059","","","0.133","0.152","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012480","12.5807","0.0013","13.2381","0.0014","13.6567","0.0014","81.854","0.01","72.429","0.01","79.851","0.01","2124.9","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","bis{(Z)-2-methylbut-1-en-1-yl-[3,5-bis(trifluoromethyl)phenyl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate","","- C29 H26 Cl2 F18 I2 O6 S2 -","- C29 H26 Cl2 F18 I2 O6 S2 -","- C58 H52 Cl4 F36 I4 O12 S4 -","2","1","BK1616","Hinkle, Robert J.; McDonald, Robert","(<i>Z</i>)-2-Methylbuten-1-yl(aryl)iodonium trifluoromethanesulfonates containing electron-withdrawing groups on the aryl moiety","Acta Crystallographica Section C","2002","58","2","o117","o121","10.1107/S0108270101019084","","","0.71073","MoKα","","0.043","0.032","","","0.074","0.078","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012481","12.731","0.003","4.216","0.0008","26.64","0.005","90","","96.87","0.03","90","","1419.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(9-ethyl-9H-carbazol-3-ylmethylene)malononitrile","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.125","0.062","","","0.131","0.156","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012482","8.437","0.0017","8.75","0.0017","12.3","0.003","79.82","0.03","76.82","0.03","63.76","0.03","790","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C36 H30 N6 S2 -","2","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.051","0.039","","","0.106","0.114","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012483","19.384","0.005","16.456","0.004","6.5323","0.0017","90","","95.637","0.019","90","","2073.6","0.9","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(9-ethyl-9H-carbazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile","","- C26 H19 N3 S -","- C26 H19 N3 S -","- C104 H76 N12 S4 -","4","1","BM1472","Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.","Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications","Acta Crystallographica Section C","2002","58","2","o72","o75","10.1107/S0108270101020170","","","0.71073","MoKα","","0.082","0.043","","","0.107","0.112","","","","","","0.917","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012484","26.454","0.003","14.499","0.003","14.517","0.003","90","","120.276","0.01","90","","4808.6","1.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Co(dtc)~2~{P(OMe)~2~Ph}]~2~(PF~6~)~2~","Bis[bis(dimethyldithiocarbamato)(dimethylphenylphosphonito)cobalt(III)] Bis(hexafluorophosphate)","","- C28 H46 Co2 F12 N4 O4 P4 S8 -","- C28 H46 Co2 F12 N4 O4 P4 S8 -","- C112 H184 Co8 F48 N16 O16 P16 S32 -","4","0.5","BM1475","Suzuki, Takayoshi; Takagi, Hideo D.; Kashiwabara, Kazuo","Bis(μ-<i>N,N</i>-dimethyldithiocarbamato-κ^3^<i>S,S</i>':<i>S</i>')bis[(dimethoxyphenylphosphane-κ<i>P</i>)(<i>N,N</i>-dimethyldithiocarbamato-κ^2^<i>S,S</i>')cobalt(III)] bis(hexafluorophosphate)","Acta Crystallographica Section C","2002","58","2","m95","m97","10.1107/S0108270101018406","","","0.71069","MoKα","","0.1298","0.0469","","","0.1377","0.1643","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012485","18.6227","0.0001","14.2708","0.0001","17.5255","0.0001","90","","91.65","0.001","90","","4655.66","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-O:O'] acetonitrile hemisolvate sesquihydrate]","","- C17 H28.5 Cu N8.5 O5.5 S -","- C17 H28.5 Cu N8.5 O5.5 S -","- C136 H228 Cu8 N68 O44 S8 -","8","2","BM1479","Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo","<i>catena</i>-Poly[[[tetrakis(1-methylimidazole-κ<i>N</i>^3^)copper(II)]-μ^2^-sulfato-κ^2^<i>O</i>:<i>O</i>'] acetonitrile hemisolvate sesquihydrate]","Acta Crystallographica Section C","2002","58","2","m65","m67","10.1107/S0108270101019825","","","0.71073","MoKα","","0.042","0.032","","","0.073","0.077","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012486","9.086","0.0004","13.055","0.0006","17.7367","0.0006","90","","90.084","0.003","90","","2103.88","0.15","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","triacetone amine monohydrate","2,2,6,6-tetramethylpiperidin-4-one monohydrate","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","BM1480","Bond, Andrew D.","Redetermination of the twinned structure of triacetone amine monohydrate","Acta Crystallographica Section C","2002","58","2","o115","o116","10.1107/S0108270101021527","","","0.7107","MoKα","","0.075","0.053","","","0.126","0.139","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012487","8.9927","0.0012","9.4979","0.0013","13.0245","0.0014","72.44","0.002","69.285","0.003","73.023","0.003","970.4","0.2","301","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","- C36 H36 Cl4 Cu2 Hg2 N4 O4 -","1","0.5","BR1346","Ercan, Ismail; Ercan, Filiz; Arici, Cengiz; Atakol, Orhan","Bis{[μ-<i>N,N</i>'-bis(salicylidene)-1,4-butanediamine-<i>N,N</i>',<i>O,O</i>'-copper(II)]-μ-chloro-chloromercury(II)}","Acta Crystallographica Section C","2002","58","2","m137","m138","10.1107/S0108270101019709","","","0.71073","MoKα","","","0.057","","","","0.1487","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012488","6.505","0.002","7.201","0.003","7.605","0.003","91.82","0.03","92.17","0.03","111.33","0.03","331.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dilead mercury chromate(VI)","","- Cr Hg O6 Pb2 -","- Cr Hg O6 Pb2 -","- Cr2 Hg2 O12 Pb4 -","2","1","BR1350","Klein, W.; Curda, J.; Friese, K.; Jansen, M.","Dilead mercury chromate(VI), Pb~2~HgCrO~6~","Acta Crystallographica Section C","2002","58","2","i23","i24","10.1107/S010827010102087X","","","0.71069","MoKα","","0.053","0.049","","","0.123","0.127","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012489","11.405","0.011","21.545","0.005","28.893","0.016","90","","97.73","0.06","90","","7035","8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)- 1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine","","- C26 H55 N11 P4 -","- C26 H55 N11 P4 -","- C208 H440 N88 P32 -","8","2","DA1202","Işıklan, Muhammed; Kılıç, Zeynel","6-Propylamino-2,6-propylepimino-2,4,4,8,8-pentakis(pyrrolidin-1-yl)-1,3,5,7,2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraazatetraphosphorocine","Acta Crystallographica Section C","2002","58","2","o80","o83","10.1107/S0108270101019151","","","0.71073","MoKα","","0.141","0.051","","","0.111","0.121","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012490","7.0052","0.0007","9.051","0.0009","14.021","0.002","103.51","0.005","98.776","0.005","91.83","0.004","852.15","0.17","180.2","","180.2","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 F Mo N O2 Si -","- C15 H20 F Mo N O2 Si -","- C30 H40 F2 Mo2 N2 O4 Si2 -","2","1","DA1210","Hayton, Trevor W.; Legzdins, Peter; Rettig, Steven J.","(η^5^-Cyclopentadienyl)(<i>p</i>-fluorophenoxo)(nitrosyl)(trimethylsilylmethyl)molybdenum(II)","Acta Crystallographica Section C","2002","58","2","m68","m69","10.1107/S0108270101019382","","","0.7107","MoKα","","0.0546","0.029","","0.0718","","0.0718","","","0.861","","","0.861","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012491","13.343","0.0003","5.756","0.0003","7.273","0.0006","90","","104.753","0.003","90","","540.17","0.05","100","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-5-thiolpyridine","","- C5 H6 N2 S -","- C5 H5 N2 S -","- C20 H20 N8 S4 -","4","1","DA1211","Sabino, J. R.; da Silva, C. H. T. P.; Yonashiro, M.","6-Aminopyridine-3-thiol","Acta Crystallographica Section C","2002","58","2","o78","o79","10.1107/S0108270101020352","","","0.71073","MoKα","","0.05","0.036","","","0.091","0.1","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012492","27.742","0.002","7.8344","0.0016","16.2658","0.0018","90","","125.679","0.005","90","","2871.7","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","fac-Re(CO)~3~(dpkO,OH)","fac-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^N,O,N')rhenium(I)","","- C14 H9 N2 O5 Re -","- C14 H9 N2 O5 Re -","- C112 H72 N16 O40 Re8 -","8","1","DA1212","Bakir, Mohammed","<i>fac</i>-Tricarbonyl[hydroxybis(2-pyridyl)methanolato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']rhenium(I)","Acta Crystallographica Section C","2002","58","2","m74","m76","10.1107/S0108270101019527","","","0.71073","MoKα","","0.032","0.029","","","0.09","0.093","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012493","18.8609","0.0003","15.4691","0.0004","11.601","0.0002","90","","123.145","0.009","90","","2834","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide- κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate","","- C18 H45 Cu N8 O12.5 S -","- C18 H45 Cu N8 O12.5 S -","- C72 H180 Cu4 N32 O50 S4 -","4","0.5","DN1005","Espinosa, Enrique; Meyer, Michel; Berard, David; Guilard, Roger","[(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-κ^6^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^,<i>O</i>^1^,<i>O</i>^8^]copper(II) sulfate 4.5-hydrate","Acta Crystallographica Section C","2002","58","2","m119","m121","10.1107/S0108270101021060","","","0.71073","MoKα","","0.04","0.037","","","0.111","0.113","","","","","","1.093","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2012494","7.2389","0.0014","11.2125","0.0014","12.7427","0.0015","90","","90","","90","","1034.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1R,3S-camphoramic acid","3-aminocarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","FR1358","Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(1<i>R</i>,3<i>S</i>)-Camphoramic acid","Acta Crystallographica Section C","2002","58","2","o106","o107","10.1107/S0108270101020819","","","0.71069","MoKα","","0.048","0.04","","0.116","","0.111","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012495","9.331","0.005","8.769","0.005","13.616","0.008","90","","92.29","0.016","90","","1113.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetylferrocene-1'-carboxylic acid","","- C13 H12 Fe O3 -","- C13 H12 Fe O3 -","- C52 H48 Fe4 O12 -","4","1","FR1360","Newman, Jacob M.; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.","1'-Acetylferrocene-1-carboxylic acid: an instance of hydrogen bonding in the rare dimeric acid-to-ketone mode","Acta Crystallographica Section C","2002","58","2","m89","m91","10.1107/S0108270101021771","","","0.71073","MoKα","","0.07","0.042","","","0.085","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012496","5.9937","0.0004","11.9746","0.0006","15.734","0.001","75.604","0.005","79.802","0.006","86.418","0.005","1076.32","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Thienylmethylammonium trichlorostannate(II)","","- C5 H8 Cl3 N S Sn -","- C5 H8 Cl3 N S Sn -","- C20 H32 Cl12 N4 S4 Sn4 -","4","2","GD1180","Mercier, Nicolas; Seyeux, Antoine; Morel, Celine; Riou, Amedee","(2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt","Acta Crystallographica Section C","2002","58","2","m127","m128","10.1107/S0108270101020856","","","0.71073","MoKα","","0.062","0.038","","","0.095","0.118","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012497","6.859","0.001","12.427","0.002","15.307","0.003","92.31","0.03","95.87","0.03","103.36","0.03","1260","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","melaminium acetate hydrate acetic acid solvate","2,4,6-triamino-1,3,5-triazine-1-ium acetate monohydrate acetic acid solvate","","- C7 H16 N6 O5 -","- C7 H16 N6 O5 -","- C28 H64 N24 O20 -","4","2","GD1181","Perpétuo, Genivaldo Julio; Janczak, Jan","Melaminium acetate acetic acid solvate monohydrate","Acta Crystallographica Section C","2002","58","2","o112","o114","10.1107/S0108270101021631","","","0.71073","MoKα","","0.094","0.037","","","0.045","0.057","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012498","8.466","0.0001","29.526","0.0003","14.1002","0.0001","90","","97.3941","0.0005","90","","3495.28","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-1κ^2^O,O':2(η^5^)-Cyclopentadienylcarboxylato- 2(η^5^)-diphenylphosphinocyclopentadienyl-bis[1,1(η^5^)- tetramethylcyclopentadienyl]iron(II)titanium(III)","","- C41 H44 Fe O2 P Ti -","- C41 H44 Fe O2 P Ti -","- C164 H176 Fe4 O8 P4 Ti4 -","4","1","GD1183","Mach, Karel; Kubišta, Jiří; Císařová, Ivana; Štěpnička, Petr","[μ-1κ^2^<i>O</i>,<i>O</i>':2(η^5^)-Cyclopentadienylcarboxylato][2(η^5^)-diphenylphosphinocyclopentadienyl]bis[1,1(η^5^)-tetramethylcyclopentadienyl]iron(II)titanium(III)","Acta Crystallographica Section C","2002","58","2","m116","m118","10.1107/S0108270101019370","","","0.71073","MoKα","","0.04","0.033","","","0.082","0.085","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012499","8.2189","0.0006","6.0621","0.0003","15.0977","0.001","90","","102.835","0.003","90","","733.43","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-trifluoromethylbenzonitrile","4-(trifluoromethyl)benzonitrile","","- C8 H4 F3 N -","- C8 H4 F3 N -","- C32 H16 F12 N4 -","4","1","GG1086","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","4-(Trifluoromethyl)benzonitrile","Acta Crystallographica Section C","2002","58","2","o66","o68","10.1107/S0108270101019540","","","0.71073","MoKα","","0.053","0.039","","","0.11","0.115","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012500","6.8807","0.0002","16.2254","0.0006","13.3379","0.0005","90","","111.28","0.002","90","","1387.54","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one","","- C16 H12 Br N3 O -","- C16 H12 Br N3 O -","- C64 H48 Br4 N12 O4 -","4","1","GG1087","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-<i>a</i>]benzimidazol-4(3<i>H</i>)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-<i>a</i>]benzimidazol-2(1<i>H</i>)-one form hydrogen-bonded base-paired dimers","Acta Crystallographica Section C","2002","58","2","o125","o128","10.1107/S0108270101021564","","","0.71073","MoKα","","0.06","0.043","","","0.104","0.114","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012501","8.136","0.0003","9.8647","0.0004","10.0975","0.0005","114.88","0.0013","94.9156","0.0015","100.966","0.003","709.18","0.05","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C34 H30 N6 O2 -","2","1","GG1087","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo","2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-<i>a</i>]benzimidazol-4(3<i>H</i>)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-<i>a</i>]benzimidazol-2(1<i>H</i>)-one form hydrogen-bonded base-paired dimers","Acta Crystallographica Section C","2002","58","2","o125","o128","10.1107/S0108270101021564","","","0.71073","MoKα","","0.075","0.046","","","0.107","0.12","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012502","7.5297","0.001","23.628","0.003","9.2916","0.001","90","","104.175","0.01","90","","1602.8","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-N,N')copper(II)]-μ- dicyanamido-N^1^:N^5^]","","- C16 H12 Cu N8 -","- C16 H12 Cu N8 -","- C64 H48 Cu4 N32 -","4","1","GG1091","Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Reedijk, Jan","<i>catena</i>-Poly[[dicyanamido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2002","58","2","m124","m126","10.1107/S0108270101021515","","","0.71073","MoKα","","0.034","0.027","","","0.07","0.073","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012503","4.3142","0.0007","22.141","0.004","6.4675","0.001","90","","105.441","0.011","90","","595.48","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B8 Bi2 O15 -","- B8 Bi2 O15 -","- B16 Bi4 O30 -","2","1","IZ1016","Teng, Bing; Yu, Wen Tao; Wang, Ji Yang; Cheng, Xiu Feng; Dong, Sheng Ming; Liu, Yao Gang","Bismuth octaborate, Bi~2~B~8~O~15~","Acta Crystallographica Section C","2002","58","2","i25","i26","10.1107/S0108270101019643","","","0.71073","MoKα","","0.0711","0.0697","","","0.1685","0.1706","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012504","9.7839","0.0005","20.7991","0.001","22.0788","0.0012","90","","99.172","0.006","90","","4435.5","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-bis(1,2,3,6-tetrahydro-1,3-dimethylpurine-2,6-dionato-κN^7^)bis (triphenylphosphine-κP)platinum(II)","","- C50 H44 N8 O4 P2 Pt -","- C50 H44 N8 O4 P2 Pt -","- C200 H176 N32 O16 P8 Pt4 -","4","1","JZ1480","Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain","Platinum complexes of oxopurines: <i>cis</i>-bis(theophyllinato-<i>N</i>^7^)bis(triphenylphosphine)platinum(II) and <i>cis</i>-chloro(theobrominato-<i>N</i>^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate","Acta Crystallographica Section C","2002","58","2","m111","m115","10.1107/S0108270101020364","","","0.71073","MoKα","","0.058","0.034","","","0.08","0.084","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012505","11.4777","0.0009","19.3276","0.0013","20.5946","0.0017","62.565","0.008","81.354","0.01","89.019","0.009","4001.7","0.6","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","cis-chloro(1,2,3,6-tetrahydro-3,7-dimethylpurine-2,6-dionato-κN^1^)bis (triphenylphosphine-κP)platinum(II) ethanol hemisolvate","","- C44 H40 Cl N4 O2.5 P2 Pt -","- C44 H40 Cl N4 O2.5 P2 Pt -","- C176 H160 Cl4 N16 O10 P8 Pt4 -","4","2","JZ1480","Dubler, Erich; Schmalle, Helmut W.; Arod, Frèdèric; Schneider, Alain","Platinum complexes of oxopurines: <i>cis</i>-bis(theophyllinato-<i>N</i>^7^)bis(triphenylphosphine)platinum(II) and <i>cis</i>-chloro(theobrominato-<i>N</i>^1^)bis(triphenylphosphine)platinum(II) ethanol hemisolvate","Acta Crystallographica Section C","2002","58","2","m111","m115","10.1107/S0108270101020364","","","0.71073","MoKα","","0.1186","0.042","","","0.079","0.092","","","","","","0.689","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012506","7.2419","0.0005","9.7619","0.0008","17.7469","0.0016","90","","90","","90","","1254.61","0.18","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl2 O3 -","- C11 H16 Cl2 O3 -","- C44 H64 Cl8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0277","0.0237","","","0.0576","0.059","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012507","7.4006","0.0005","9.7511","0.001","18.0171","0.0013","90","","90","","90","","1300.19","0.19","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br2 O3 -","- C11 H16 Br2 O3 -","- C44 H64 Br8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0465","0.037","","","0.0869","0.0956","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012508","22.994","0.003","7.185","0.001","16.806","0.003","90","","98.86","0.01","90","","2743.4","0.7","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H34 F12 N6 Ni2 O8 P2 -","- C10 H34 F12 N6 Ni2 O8 P2 -","- C40 H136 F48 N24 Ni8 O32 P8 -","4","0.5","LN1124","Muga, Iñaki; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Guzmán-Miralles, Carmen; Román, Pascual","(μ-Oxalato-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[aqua(diethylenetriamine)nickel(II)] bis(hexafluorophosphate) dihydrate","Acta Crystallographica Section C","2002","58","2","m81","m83","10.1107/S0108270101019072","","","0.71073","MoKα","","0.0716","0.061","","","","0.1905","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012509","6.203","0.001","7.259","0.001","22.657","0.005","90","","90","","90","","1020.2","0.3","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Methyl 3-(4-methoxyphenyl)propenoate","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","NA1531","Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris","Methyl 3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section C","2002","58","2","o76","o77","10.1107/S0108270101019539","","","0.71073","MoKα","","0.059","0.042","","","0.109","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012510","8.657","0.002","10.352","0.002","12.859","0.003","104.81","0.01","93.08","0.02","111.21","0.02","1024.9","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]diethylamine","","- C12 H20 F6 N3 O4 P S2 -","- C12 H20 F6 N3 O4 P S2 -","- C24 H40 F12 N6 O8 P2 S4 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.044","0.044","","0.063","","0.063","","","1.953","","","1.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012511","8.972","0.002","9.116","0.006","12.99","0.007","97.4","0.04","104.03","0.04","60.58","0.04","897.8","0.9","293","","293","","","","","","","","","7","P -1","-P 1","2","","[(4RS,5RS)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiaza- phosphol-2-yl]dimethylamine","","- C10 H16 F6 N3 O4 P S2 -","- C10 H16 F6 N3 O4 P S2 -","- C20 H32 F12 N6 O8 P2 S4 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.049","0.049","","0.07","","0.07","","","1.908","","","1.908","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012512","8.812","0.004","13.897","0.003","14.728","0.006","90","","90.21","0.03","90","","1803.6","1.2","293","","293","","","","","","","","","8","P 1 21 1","P 2yb","4","","bis[(4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2- benzodiazaphosphol-2-yl]methylamine chloroform solvate","","- C17.98 H23.98 Cl2.95 F12 N5 O8 P2 S4 -","- C17.983 H23 Cl2.948 F12 N5 O8 P2 S4 -","- C35.966 H46 Cl5.896 F24 N10 O16 P4 S8 -","2","1","NA1537","Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.","New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines","Acta Crystallographica Section C","2002","58","2","o108","o111","10.1107/S0108270101018200","","","0.71073","MoKα","","0.086","0.086","","0.051","","0.051","","","1.878","","","1.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012513","12.99","0.002","6.092","0.003","14.528","0.002","90","","98.55","0.02","90","","1136.9","0.6","180","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Dimenthyl malonate","Bis(2-isopropyl-5-methylcyclohex-1-yl) malonate","","- C23 H40 O4 -","- C23 H40 O4 -","- C46 H80 O8 -","2","1","NA1538","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Yohannes, Yonas","(‒)-Dimenthyl malonate","Acta Crystallographica Section C","2002","58","2","o84","o85","10.1107/S0108270101019308","","","0.71069","MoKα","","","0.058","","","","0.163","","","","","","0.934","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012514","5.9588","0.0004","10.901","0.001","11.29","0.001","113.7","0.005","93.164","0.004","91.957","0.005","669.22","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","DISODIUM PAMIDRONATE","Disodium 3-ammonium-1-hydroxypropylidene-1,1-bisphosphonate pentahydrate","","- C3 H19 N Na2 O12 P2 -","- C3 H19 N Na2 O12 P2 -","- C6 H38 N2 Na4 O24 P4 -","2","1","NA1543","Vega, Daniel; Fernández, Daniel; Ellena, Javier A.","Disodium pamidronate","Acta Crystallographica Section C","2002","58","2","m77","m80","10.1107/S0108270101019655","","","0.7107","MoKα","","","0.0416","","","","0.1056","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012515","8.935","0.0004","9.1189","0.0003","13.469","0.0006","75.897","0.001","89.831","0.001","62.201","0.001","933.64","0.07","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","syn-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","NA1545","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]","Acta Crystallographica Section C","2002","58","2","o59","o62","10.1107/S0108270101020820","","","0.71073","MoKα","","0.0917","0.0708","","","0.1653","0.1936","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012516","14.531","0.0002","8.7676","0.0001","30.0679","0.0001","90","","90","","90","","3830.71","0.07","183","2","183","2","","","","","","","","4","P n a 21","P 2c -2n","33","","anti-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C176 H144 N16 O48 -","8","2","NA1545","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]","Acta Crystallographica Section C","2002","58","2","o59","o62","10.1107/S0108270101020820","","","0.71073","MoKα","","0.0616","0.0477","","","0.109","0.1146","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012517","12.587","0.003","25.762","0.009","13.24","0.013","90","","108.24","0.03","90","","4078","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-2-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^] bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate","","- C34 H60 Cl4 N6 O Rh2 -","- C34 H56 Cl4 N6 O Rh2 -","- C136 H224 Cl16 N24 O4 Rh8 -","4","0.5","OB1049","Esquius, Glòria; Pons, Josefina; Yáñez, Ramón; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè","Bis[μ-4-(ethylammoniomethyl)-3,5-dimethylpyrazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^]bis[(η^4^-1,5-cyclooctadiene)rhodium(I)] dichloride dichloromethane methanol solvate","Acta Crystallographica Section C","2002","58","2","m133","m134","10.1107/S0108270101020017","","","0.71069","MoKα","","0.054","0.028","","","0.072","0.079","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012518","14.6683","0.0003","6.9409","0.0001","13.5889","0.0001","90","","111.157","0.001","90","","1290.25","0.03","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphato-S,S')","","- C12 H36 Cu N4 O4 P2 S4 -","- C12 H36 Cu N4 O4 P2 S4 -","- C24 H72 Cu2 N8 O8 P4 S8 -","2","0.5","OS1146","Fun, Hoong-Kun; Hao, Qingli; Ma, Haibo; Yang, Xujie; Lu, Lude; Wang, Xin; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Usman, Anwar","Bis(ethylenediamine)copper(II) bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphate)","Acta Crystallographica Section C","2002","58","2","m87","m88","10.1107/S0108270101020789","","","0.71073","MoKα","","0.0741","0.0452","","","0.0989","0.1059","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012519","8.059","0.001","12.116","0.001","24.744","0.002","90","","90","","90","","2416.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-phenoxy-4-pyridyl)methanesulfonamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C96 H96 N16 O24 S8 -","8","1","SK1503","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François","<i>N</i>-(3-Phenoxy-4-pyridinio)methanesulfonamidate","Acta Crystallographica Section C","2002","58","2","o88","o89","10.1107/S0108270101018595","","","1.54178","CuKα","","0.033","0.032","","","0.095","0.096","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012520","6.219","0.001","12.163","0.002","15.855","0.001","90","","91.13","0.01","90","","1199.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C48 H44 N12 O8 S4 -","4","1","SK1506","Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore","4-Methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole","Acta Crystallographica Section C","2002","58","2","o69","o71","10.1107/S0108270101017851","","","1.54178","CuKα","","0.0441","0.0377","","","0.1015","0.1062","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012521","14.738","0.001","5.75","0.001","15.898","0.001","90","","105.02","0.01","90","","1301.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","SK1506","Wouters, Johan; Norberg, Bernadette; Guccione, Salvatore","4-Methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[<i>N</i>-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole","Acta Crystallographica Section C","2002","58","2","o69","o71","10.1107/S0108270101017851","","","1.54178","CuKα","","0.0455","0.0418","","","0.1314","0.1348","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012522","10.5692","0.0002","10.6982","0.0002","10.7687","0.0001","94.848","0.001","99.091","0.001","119.064","0.001","1032.43","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (6aRS,8RS,12bRS)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6H-benzo[b]- naphtho[1,2-d]pyran-6a-carboxylate","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","1","SK1509","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhao, Bao-Guo; Xu, Jian-Hua","Ethyl (6a<i>RS</i>,8<i>RS</i>,12b<i>RS</i>)-6-oxo-8-phenyl-6a,7,8,12b-tetrahydro-6<i>H</i>-benzo[<i>b</i>]naphtho[1,2-<i>d</i>]pyran-6a-carboxylate","Acta Crystallographica Section C","2002","58","2","o57","o58","10.1107/S0108270101017164","","","0.71073","MoKα","","0.1117","0.0746","","","0.1751","0.2087","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012523","30.5212","0.0007","30.5212","0.0007","8.8689","0.0002","90","","90","","120","","7154.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine","","- C19 H18 N4 -","- C19 H18 N4 -","- C342 H324 N72 -","18","1","SK1526","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo","Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>][1,4]diazepines","Acta Crystallographica Section C","2002","58","2","o103","o105","10.1107/S0108270101020625","","","0.71073","MoKα","","0.0662","0.0497","","","0.1234","0.1334","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012524","9.0066","0.0018","17.969","0.004","18.007","0.004","115.73","0.03","101.02","0.03","98.83","0.03","2483","1.3","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5-(4-Chlorophenyl)-3-methyl-1-phenyl-1,6,7,8- tetrahydropyrazolo[3,4-b][1,4]diazepine","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C114 H102 Cl6 N24 -","6","3","SK1526","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo","Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>][1,4]diazepines","Acta Crystallographica Section C","2002","58","2","o103","o105","10.1107/S0108270101020625","","","0.71073","MoKα","","0.1207","0.0822","","","0.2064","0.2263","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012525","17.4665","0.0018","17.0031","0.0016","7.347","0.003","90","","94.566","0.018","90","","2175","0.9","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino- 9,10-dimethoxybenzo[a]quinolizine-water (2/5)","","- C23 H22 Cl N4 O4.5 -","- C23 H17 Cl N4 O2 -","- C92 H68 Cl4 N16 O8 -","4","1","SK1527","Linden, Anthony; Awad, Enas M.; Elwan, Nehal M.; Hassaneen, Hamdi M.; Heimgartner, Heinz","2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[<i>a</i>]quinolizine‒water (2/5)","Acta Crystallographica Section C","2002","58","2","o122","o124","10.1107/S010827010102090X","","","0.71069","MoKα","","0.099","0.0511","","","0.1383","0.1513","","","","","","0.967","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012526","9.0274","0.0004","6.5933","0.0004","13.117","0.0008","90","","90","","90","","780.73","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Trifluoromethyl-4-nitroaniline","","- C7 H5 F3 N2 O2 -","- C7 H5 F3 N2 O2 -","- C28 H20 F12 N8 O8 -","4","0.5","SK1528","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of <i>R</i>f̱{_4^4}(12) and <i>R</i>f̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o97","o99","10.1107/S0108270101021254","","","0.71073","MoKα","","0.061","0.041","","","0.105","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012527","7.1048","0.0002","15.3832","0.0005","14.3091","0.0006","90","","91.9102","0.0012","90","","1563.04","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-4-nitroaniline","","- C7 H5 F3 N2 O2 -","- C7 H5 F3 N2 O2 -","- C56 H40 F24 N16 O16 -","8","2","SK1528","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of <i>R</i>f̱{_4^4}(12) and <i>R</i>f̱{_4^4}(32) rings in 3-trifluoromethyl-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o97","o99","10.1107/S0108270101021254","","","0.71073","MoKα","","0.079","0.044","","","0.1","0.114","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012528","4.2494","0.0002","14.9094","0.0007","13.0958","0.0007","90","","96.138","0.002","90","","824.94","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-3-bromo-5-nitrobenzonitrile","","- C7 H4 Br N3 O2 -","- C7 H4 Br N3 O2 -","- C28 H16 Br4 N12 O8 -","4","1","SK1529","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating <i>R</i>f̱{_2^2}(12) and <i>R</i>f̱{_6^6}(36) rings in 2-bromo-6-cyano-4-nitroaniline","Acta Crystallographica Section C","2002","58","2","o100","o102","10.1107/S0108270101021485","","","0.71073","MoKα","","0.061","0.037","","","0.074","0.081","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012529","11.913","0.002","15.027","0.003","15.466","0.003","114.37","0.03","99","0.03","99.17","0.03","2412.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H97 Mo18 N4 Na7 O100 -","- C8 H8 Mo18 N4 Na7 O100 -","- C8 H8 Mo18 N4 Na7 O100 -","1","0.5","TA1340","Liu, Guang; Zhang, Shi-Wei","New girdle-like Mo~18~ polyanions linked into chains","Acta Crystallographica Section C","2002","58","2","m92","m94","10.1107/S0108270101017206","","","0.71073","MoKα","","0.0743","0.0559","","","0.1647","0.179","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012530","15.257","0.003","8.954","0.002","13.623","0.002","90","","102.71","0.02","90","","1815.5","0.6","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-4-tert-Butylcyclohexyl Picrate","cis-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene","","- C16 H21 N3 O7 -","- C16 H21 N3 O7 -","- C64 H84 N12 O28 -","4","1","TA1354","Spiniello, Marisa; White, Jonathan M.","<i>cis</i>- and <i>trans</i>-2-(4-<i>tert</i>-Butylcyclohexyloxy)-1,3,5-trinitrobenzene","Acta Crystallographica Section C","2002","58","2","o94","o96","10.1107/S0108270101019400","","","0.71069","MoKα","","0.052","0.039","","","0.098","0.107","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012531","14.95","0.003","8.349","0.001","14.292","0.005","90","","94.22","0.03","90","","1779.1","0.8","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-4-tert-Butylcyclohexyl Picrate","trans-2-(4-tert-butylcyclohexyloxy)-1,3,5-trinitrobenzene","","- C16 H21 N3 O7 -","- C16 H21 N3 O7 -","- C64 H84 N12 O28 -","4","1","TA1354","Spiniello, Marisa; White, Jonathan M.","<i>cis</i>- and <i>trans</i>-2-(4-<i>tert</i>-Butylcyclohexyloxy)-1,3,5-trinitrobenzene","Acta Crystallographica Section C","2002","58","2","o94","o96","10.1107/S0108270101019400","","","0.71069","MoKα","","0.085","0.047","","","0.097","0.112","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012532","8.5591","0.0002","10.6777","0.0002","17.6816","0.0004","90","","103.042","0.001","90","","1574.26","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S]bromopalladium(II)","","- C14 H21 Br Pd S2 -","- C14 H21 Br Pd S2 -","- C56 H84 Br4 Pd4 S8 -","4","1","TA1357","Bacsa, John; Moutloali, Richard M.; Darkwa, James","[2,6-Bis(isopropylthiomethyl)phenyl-κ^3^<i>S</i>,<i>C</i>^1^,<i>S</i>']bromopalladium(II)","Acta Crystallographica Section C","2002","58","2","m109","m110","10.1107/S0108270101020182","","","0.71073","MoKα","","0.03","0.024","","","0.05","0.052","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012533","14.3894","0.0008","15.9758","0.0007","16.0646","0.0009","61.128","0.003","70.648","0.002","83.316","0.003","3047","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis[1,1',2,2',3,3',4,4'-octamethyl-5-(2-pyridinio)-5'-(2-pyridyl)ferrocene] di-μ~3~-chloro-hexadeca-μ~2~-chloro-hexachlorodi-μ~4~-oxo-di-μ~3~-oxo- bis[(η^5^,κN)-1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadienyl] octauranium(IV) dichloromethane tetrasolvate","","- C88 H106 Cl32 Fe2 N6 O4 U8 -","- C88 H106 Cl32 Fe2 N6 O4 U8 -","- C88 H106 Cl32 Fe2 N6 O4 U8 -","1","0.5","TR1004","Moisan, Lionel; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","An ion pair formed by protonated Fe(cp*py)~2~ and the octanuclear cluster U~8~Cl~24~O~4~(cp*py)~2~ [cp*py is tetramethyl-5-(2-pyridyl)cyclopentadiene]","Acta Crystallographica Section C","2002","58","2","m98","m101","10.1107/S0108270101020029","","","0.71073","MoKα","","0.069","0.044","","","0.088","0.097","","","","","","1.026","","","","has coordinates,has Fobs","202207","2020-10-21","18:00:00",""
"2012534","19.2564","0.0003","8.9478","0.0002","29.2379","0.0005","90","","92.9544","0.0007","90","","5031.06","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-n-butylammonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) at 150K","","- C38 H72 N2 S10 Zn -","- C38 H72 N2 S10 Zn -","- C152 H288 N8 S40 Zn4 -","4","0.5","TR1005","Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.","Bis(tetra-<i>n</i>-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)","Acta Crystallographica Section C","2002","58","2","m105","m108","10.1107/S0108270101018534","","","0.71073","MoKα","","0.1461","0.0489","","","0.1084","0.1322","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012535","10.3451","0.0005","15.0563","0.0007","18.8083","0.0008","73.072","0.001","85.867","0.001","72.259","0.001","2668.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II)","","- C54 H40 As2 S10 Zn -","- C54 H40 As2 S10 Zn -","- C108 H80 As4 S20 Zn2 -","2","1","TR1005","Comerlato, Nadia M.; Harrison, William T.A.; Howie, R. Alan; Low, John Nicolson; Silvino, Alexandre C.; Wardell, James L.; Wardell, Solange M.S.V.","Bis(tetra-<i>n</i>-butylammonium) (a redetermination at 150K) and bis(tetraphenylarsonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc(II) (at 300K)","Acta Crystallographica Section C","2002","58","2","m105","m108","10.1107/S0108270101018534","","","0.71073","MoKα","","0.064","0.0335","","","0.0613","0.0671","","","","","","0.858","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012536","7.5103","0.0004","10.3304","0.0005","12.1206","0.0006","71.358","0.001","84.252","0.001","73.612","0.001","854.78","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(trimethylenethiourea-S)antimony(III) chloride","","- C8 H16 Cl3 N4 S2 Sb -","- C8 H16 Cl3 N4 S2 Sb -","- C16 H32 Cl6 N8 S4 Sb2 -","2","1","TR1006","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Keat, Goh Wooi","Dichlorobis(trimethylenethiourea-κ<i>S</i>)antimony(III) chloride","Acta Crystallographica Section C","2002","58","2","m122","m123","10.1107/S0108270101020911","","","0.71073","MoKα","","0.0647","0.058","","","0.1537","0.1578","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012537","8.4505","0.0017","9.955","0.002","12.172","0.002","90","","98.99","0.03","90","","1011.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate)","","- C8 H24 B2 F8 Pd S4 -","- C8 H24 B2 F8 Pd S4 -","- C16 H48 B4 F16 Pd2 S8 -","2","0.5","TR1008","Johansson, Maria H.; Oskarsson, Åke","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κ<i>S</i>)palladium(II) bis(tetrafluoroborate)","Acta Crystallographica Section C","2002","58","2","m102","m104","10.1107/S0108270101019357","","","0.71073","MoKα","","0.061","0.044","","","0.115","0.127","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012538","8.8804","0.0018","9.5397","0.0019","9.6999","0.0019","94.11","0.03","114.12","0.03","111.79","0.03","671.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","tetrakis(1,4-oxathiane-S)palladium(II) bis(tetrafluoroborate)","","- C16 H32 B2 F8 O4 Pd S4 -","- C16 H32 B2 F8 O4 Pd S4 -","- C16 H32 B2 F8 O4 Pd S4 -","1","0.5","TR1008","Johansson, Maria H.; Oskarsson, Åke","Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate) and tetrakis(1,4-oxathiane-κ<i>S</i>)palladium(II) bis(tetrafluoroborate)","Acta Crystallographica Section C","2002","58","2","m102","m104","10.1107/S0108270101019357","","","0.71073","MoKα","","0.109","0.08","","","0.188","0.203","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012539","12.494","0.0001","12.08","0.0003","7.16","0.0003","90","","105.264","0.001","90","","1042.52","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate","","- C7 H8 N Na O7 S -","- C7 H8 N Na O7 S -","- C28 H32 N4 Na4 O28 S4 -","4","1","AV1096","Chruszcz, Maksymilian; Lewinski, Krzysztof; sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate","The sodium salt of 2-hydroxy-5-nitrobenzylsulfonic acid","Acta Crystallographica Section C","2002","58","3","m150","m151","10.1107/S0108270102000069","","","0.71073","MoKα","","0.042","0.035","","","0.09","0.094","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012540","6.957","0.002","12.035","0.003","19.95","0.006","90","","90.1","0.006","90","","1670.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","16,16-dimethyl-D-homo-19,B-dinor-8,10-isotestosterone","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","AV1099","Egorov, Maxim Sergeevitch; Starova, Galina Leonidovna; Shavva, Alexandr Grigorievitch","Steroid 19,<i>B</i>-dinor-8,10-iso-analogues","Acta Crystallographica Section C","2002","58","3","o170","o171","10.1107/S0108270102001002","","","0.71073","MoKα","","0.103","0.061","","","0.141","0.164","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012541","8.8785","0.0003","14.9833","0.0006","12.5835","0.0005","90","","102.065","0.002","90","","1637","0.11","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 I3 O2 S2 Tl -","- C4 H12 I3 O2 S2 Tl -","- C16 H48 I12 O8 S8 Tl4 -","4","0.5","BJ1035","Ma, Guibin; Fischer, Andreas; Glaser, Julius","The trigonal‒bipyramidal triiodothallium(III) complex [TlI~3~{(CH~3~)~2~SO}~2~]","Acta Crystallographica Section C","2002","58","3","m177","m178","10.1107/S0108270101020649","","","0.71073","MoKα","","0.0444","0.0411","","","0.1015","0.1046","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012542","15.566","0.0001","12.664","0.0001","15.046","0.0002","90","","90.46","0.0006","90","","2965.89","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate","","- C18 H33 Cl6 La N6 -","- C18 H33 Cl6 La N6 -","- C72 H132 Cl24 La4 N24 -","4","1","BJ1036","Matsumoto, Kazuhiko; Tsuda, Tetsuya; Nohira, Toshiyuki; Hagiwara, Rika; Ito, Yasuhiko; Tamada, Osamu","Tris(1-ethyl-3-methylimidazolium) hexachlorolanthanate","Acta Crystallographica Section C","2002","58","3","m186","m187","10.1107/S0108270101020601","","","0.7107","MoKα","","0.0709","0.0479","","","0.0707","0.0861","","","","","","1.383","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012543","17.055","0.002","16.642","0.004","15.302","0.002","90","","119.13","0.01","90","","3793.8","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ- 2-aminopyrimidine-κ^2^N^1^:N^3^]","","- C40 H35 Ag2 Cl2 N3 P2 -","- C40 H35 Ag2 Cl2 N3 P2 -","- C160 H140 Ag8 Cl8 N12 P8 -","4","0.5","BJ1037","Jin, Qiong-Hua; Xin, Xiu-Lan; Ci, Xiao-Yan; Yu, Kai-Bei","<i>catena</i>-Poly[[di-μ-chloro-bis[(triphenylphosphine)silver(I)]]-μ-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2002","58","3","m174","m176","10.1107/S0108270102001518","","","0.71073","MoKα","","0.035","0.025","","","0.056","0.058","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012544","10.178","0.0014","10.178","0.0014","8.098","0.0016","90","","90","","120","","726.5","0.2","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) bis(hexafluoroarsenate)","","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.045","0.036","","","0.093","0.097","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012545","9.995","0.001","9.995","0.001","8.052","0.001","90","","90","","120","","696.63","0.13","173","2","173","2","","","","","","","","8","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) hexafluorophosphate perchlorate","","- C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.043","0.037","","","0.092","0.096","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012546","9.367","0.002","7.5127","0.0015","36.857","0.007","90","","93.184","0.009","90","","2589.7","0.9","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","stigmasterol hemihydrate","stigmasta-5,22-dien-3β-ol hemihydrate","","- C29 H49 O1.5 -","- C29 H49 O1.5 -","- C116 H196 O6 -","4","2","BK1624","Benavides, Gloria A.; Fronczek, Frank R.; Fischer, Nikolaus H.","Stigmasterol hemihydrate","Acta Crystallographica Section C","2002","58","3","o131","o132","10.1107/S0108270102000434","","","0.71073","MoKα","","0.09","0.059","","","0.136","0.156","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012547","8.931","0.002","12.338","0.002","17.779","0.003","90","","90","","90","","1959.1","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide A monohydrate","(1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3- (1,1dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-9H-1,7a- (epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3b]furo[3',2':3,4] cyclopenta[1,2-d]furan-5,9,12(4H)-trione monohydrate","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.036","0.032","","","0.08","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012548","7.4945","0.0015","12.973","0.003","20.934","0.004","90","","91","0.02","90","","2035","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","ginkgolide C sesquihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR) 3-(1,1-dimethylethyl) hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H,6aH- cyclopenta[c]furo[2,3b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12 (4H)-trione sesquihydrate","","- C20 H27 O12.5 -","- C20 H24 O12.5 -","- C80 H96 O50 -","4","2","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.033","0.031","","","0.084","0.086","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012549","11.403","0.002","12.95","0.003","13.646","0.003","90","","90","","90","","2015.1","0.7","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide J dihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3-(1,1-dimethylethyl) hexahydro-2,4,7b-trihydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H, 6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d] furan-5,9,12(4H)-trione dihydrate","","- C20 H28 O12 -","- C20 H28 O12 -","- C80 H112 O48 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.031","0.029","","","0.073","0.074","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012550","33.132","0.006","9.9664","0.0018","27.505","0.005","90","","105.331","0.004","90","","8759","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Butyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3- (2,4,6-trimethylphenyl)-isoxazole","","- C22 H32 B N O3 -","- C22 H32 B N O3 -","- C352 H512 B16 N16 O48 -","16","2","BM1469","Harrity, Joseph P. A.; Adams, Harry; Davies, Mark W.; Wybrow, Robert A.J.; Johnson, Christopher N.","5-Butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)isoxazole","Acta Crystallographica Section C","2002","58","3","o168","o169","10.1107/S0108270101017942","","","0.71073","MoKα","","0.1812","0.0631","","","0.1283","0.1721","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012551","5.852","0.0012","12.897","0.003","16.801","0.003","90","","90.87","0.03","90","","1267.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[bis(pyrimidin-2-yl-κN)amine](carbonato-κ^2^O,O')copper(II) dihydrate","","- C9 H13 Cu N5 O6 -","- C9 H13 Cu N5 O6 -","- C36 H52 Cu4 N20 O24 -","4","1","BM1478","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Aqua[bis(pyrimidin-2-yl-κ<i>N</i>)amine](carbonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section C","2002","58","3","m179","m181","10.1107/S0108270102000860","","","1.54178","CuKα","","0.037","0.036","","","0.101","0.103","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012552","12.5056","0.0014","13.3082","0.0016","12.9491","0.0014","90","","117.695","0.002","90","","1908.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate. methyl-5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate co-crystal (1/1)","","- C38 H46 N6 O10 -","- C38 H46 N6 O10 -","- C76 H92 N12 O20 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(<i>S</i>)-[2-(<i>R</i>)/(<i>S</i>)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.05","0.039","","","0.095","0.101","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012553","6.9782","0.0009","17.56","0.02","7.7576","0.001","90","","103.884","0.005","90","","922.8","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl-5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]- 1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","BM1481","Pilati, Tullio; Casalone, Gianluigi","The diastereoisomers methyl 5-(<i>S</i>)-[2-(<i>R</i>)/(<i>S</i>)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate","Acta Crystallographica Section C","2002","58","3","o178","o180","10.1107/S0108270101021552","","","0.71069","MoKα","","0.039","0.029","","","0.059","0.061","","","","","","0.844","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012554","7.0305","0.0012","7.686","0.002","18.951","0.004","90","","93.69","0.02","90","","1021.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5NBD","4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazole","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.084","0.04","","","0.098","0.13","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012555","6.7644","0.0019","21.277","0.006","7.788","0.006","90","","94.22","0.05","90","","1117.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6NBD","4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazole","","- C11 H12 N4 O3 -","- C11 H12 N4 O3 -","- C44 H48 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.191","0.069","","","0.146","0.224","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012556","7.4909","0.0016","10.8002","0.0014","15.1001","0.0019","90","","98.958","0.014","90","","1206.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7NBD","4-(azepan-1-yl)-7-nitro-2,1,3-benzoxadiazole","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C48 H56 N16 O12 -","4","1","BM1482","Saha, Satyen","4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores","Acta Crystallographica Section C","2002","58","3","o174","o177","10.1107/S0108270102000173","","","0.71073","MoKα","","0.106","0.051","","","0.125","0.174","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012557","11.0778","0.0011","17.535","0.002","15.4159","0.0018","90","","98.722","0.008","90","","2959.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis(triphenylphosphine)nickel(I)","","- C36 H30 Cl Ni P2 -","- C36 H30 Cl Ni P2 -","- C144 H120 Cl4 Ni4 P8 -","4","1","BM1484","Norman, Nicholas C.; Orpen, A Guy.; Quayle, Michael J.; Whittell, George R.","Chlorobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2002","58","3","m160","m161","10.1107/S010827010200032X","","","0.71073","MoKα","","0.0513","0.0306","","","0.066","0.0716","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012558","6.157","0.0012","12.308","0.003","7.561","0.0015","90","","97.74","0.03","90","","567.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rubidium manganese hexathiodiphosphate","","- Mn P2 Rb2 S6 -","- Mn P2 Rb2 S6 -","- Mn2 P4 Rb4 S12 -","2","0.5","BR1335","Taylor, Stephen P.; Krawiec, Mariusz; Hwu, Shiou-Jyh","High-temperature synthesis of Rb~2~MnP~2~S~6~ in molten salt medium","Acta Crystallographica Section C","2002","58","3","i27","i28","10.1107/S0108270101018017","","","0.71073","MoKα","","0.06","0.0549","","","0.1349","0.1369","","","","","","1.318","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012559","4.38088","0.00004","4.38088","0.00004","15.46525","0.00017","90","","90","","90","","296.811","0.005","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Caesium hydroxide monohydrate","","- Cs H3 O2 -","- Cs H3 O2 -","- Cs4 H12 O8 -","4","0.125","BR1352","Černý, Radovan; Favre-Nicolin, Vincent; Bertheville, Bernard","A tetragonal polymorph of caesium hydroxide monohydrate, CsOH·H~2~O, from X-ray powder data","Acta Crystallographica Section C","2002","58","3","i31","i32","10.1107/S0108270101021928","","","0.48562","synchrotron","","","","","","","","","","2.28","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012560","7.2621","0.0006","7.2621","0.0006","10.4415","0.0009","90","","90","","120","","476.89","0.07","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","trimercury aluminium hydrogen hexafluoride dioxide","","- Al F6 H Hg3 O2 -","- Al F6 Hg3 O2 -","- Al3 F18 Hg9 O6 -","3","0.0833333","BR1353","Weil, Matthias","Hg~3~AlF~6~O~2~H, a structure with a short interpolyhedral O···O distance","Acta Crystallographica Section C","2002","58","3","i37","i39","10.1107/S0108270102000690","","","0.71073","MoKα","","0.014","0.014","","","0.027","0.027","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012561","9.635","0.0005","22.0785","0.0011","15.5217","0.0008","90","","91.818","0.001","90","","3300.2","0.3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 Cl4 O7 S7 U -","- C14 H42 Cl4 O7 S7 U -","- C56 H168 Cl16 O28 S28 U4 -","4","1","DA1197","Warren J. Oldham; Brian L. Scott; Kent D. Abney; Wayne H. Smith; David A. Costa","Chloroheptakis(dimethyl sulfoxide)uranium(IV) trichloride","Acta Crystallographica Section C","2002","58","3","m139","m140","10.1107/S0108270101020492","","","0.71073","MoKα","","0.0291","0.0229","","","0.0532","0.0557","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012562","10.701","0.005","9.949","0.005","13.888","0.005","90","","90","","90","","1478.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2,4-dibromophenyl)triazene","","- C12 H7 Br4 N3 -","- C12 H7 Br4 N3 -","- C48 H28 Br16 N12 -","4","1","DA1213","Hörner, Manfredo; Casagrande, Ivan C.; Bordinhao, Jairo; Mössmer, Cäcilia M.","1,3-Bis(2,4-dibromophenyl)triazene","Acta Crystallographica Section C","2002","58","3","o193","o194","10.1107/S0108270102001683","","","0.71069","MoKα","","0.084","0.043","","","0.098","0.111","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012563","8.002","0.0001","13.304","0.0004","26.723","0.0006","83.427","0.002","85.045","0.001","74.051","0.001","2712.91","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[tetrakis(decanoato-κ^2^O:O')diruthenium(II,III)(Ru-Ru)]- μ-octanesulfonato-κ^2^-O:O']","","- C48 H93 O11 Ru2 S -","- C48 H93 O11 Ru2 S -","- C96 H186 O22 Ru4 S2 -","2","1","DA1217","Zelcer, Andrés; Chaia, Zulema Débora; Cukiernik, Fabio D.; Catellano, Eduardo E.; Piro, Oscar E.","A liquid crystal derived from ruthenium(II,III) and a long-chain carboxylate","Acta Crystallographica Section C","2002","58","3","m144","m146","10.1107/S0108270101021540","","","0.71073","MoKα","","0.081","0.049","","","0.121","0.155","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012564","13.738","0.003","7.4751","0.0016","17.1566","0.0018","90","","110.117","0.013","90","","1654.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile","","- C20 H18 N2 O -","- C20 H18 N2 O1.013 -","- C80 H72 N8 O4.052 -","4","1","DE1177","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","1,3-Dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section C","2002","58","3","o191","o192","10.1107/S0108270102000185","","","1.5418","CuKα","","0.054","0.046","","","0.133","0.141","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012565","12.504","0.0007","7.517","0.0005","13.0894","0.0005","90","","113.237","0.003","90","","1130.5","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trichloro(N, N-dimethylbiguanidium)zinc(II)","Trichloro(1,1-dimethylbiguanidium-κN^3^)zinc(II)","","- C4 H12 Cl3 N5 Zn -","- C4 H12 Cl3 N5 Zn -","- C16 H48 Cl12 N20 Zn4 -","4","1","DE1178","Zhu, Miaoli; Lu, Liping; Jin, Xianglin; Yang, Pin","Trichloro(1,1-dimethylbiguanidium-κ<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","2002","58","3","m158","m159","10.1107/S0108270102000549","","","0.71073","MoKα","","0.031","0.022","","","0.046","0.048","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012566","7.7638","0.001","8.4584","0.001","33.22","0.005","90","","90","","90","","2181.5","0.5","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","DE1179","Vasuki, G; Parthasarathi, V; Ramamurthi, K; Jindal, D. P; Dubey, S","4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile","Acta Crystallographica Section C","2002","58","3","o162","o163","10.1107/S0108270102000197","","","1.5418","CuKα","","0.052","0.039","","","0.092","0.105","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012567","6.537","0.001","8.95","0.001","51.128","0.009","90","","90","","90","","2991.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oate","","- C33 H49 N O6 -","- C33 H49 N O6 -","- C132 H196 N4 O24 -","4","1","FR1352","Bore, Lothar; Honda, Tadashi; Gribble, Gordon W.; Lork, Enno; Jasinski, Jerry P.","The anti-inflammatory triterpenoid methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate methanol solvate hydrate","Acta Crystallographica Section C","2002","58","3","o199","o200","10.1107/S010827010102176X","","","0.71073","MoKα","","0.105","0.07","","","0.183","0.2112","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012568","6.3346","0.0017","10.758","0.003","11.012","0.003","90","","94.202","0.017","90","","748.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclohexanone-3-carboxylic acid","(±)-3-Oxocyclohexanecarboxylic acid","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","FR1356","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids","Acta Crystallographica Section C","2002","58","3","o154","o156","10.1107/S0108270101020595","","","0.71073","MoKα","","0.085","0.049","","","0.105","0.122","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012569","6.625","0.002","5.669","0.001","21.841","0.005","90","","90.33","0.02","90","","820.3","0.3","241","2","241","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclohexanone-3-acetic acid","(±)-3-Oxocyclohexaneacetic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","FR1356","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids","Acta Crystallographica Section C","2002","58","3","o154","o156","10.1107/S0108270101020595","","","0.71073","MoKα","","0.085","0.054","","","0.126","0.143","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012570","7.3355","0.0003","9.4033","0.0004","14.1728","0.0007","90","","90","","90","","977.61","0.08","173","2","173","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","","- C15 H16 Cl4 N3 Nb O -","- C15 H16 Cl4 N3 Nb O -","- C30 H32 Cl8 N6 Nb2 O2 -","2","0.5","FR1359","Guzei, Ilia A.; Roberts, John; Saulys, Dovas A.","Pseudosymmetry in pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","Acta Crystallographica Section C","2002","58","3","m141","m143","10.1107/S0108270101021886","","","0.71073","MoKα","","0.02","0.02","","","0.054","0.054","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012571","11.678","0.003","11.678","0.002","8.6608","0.0012","90","","90","","90","","1181.1","0.4","293","2","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 Ni O4 -","- C12 H8 N2 Ni O4 -","- C48 H32 N8 Ni4 O16 -","4","0.5","FR1362","Lu, Tong-Bu; Luck, Rudy L.","Interpenetrating nets in <i>cis</i>-bis(pyridine-4-carboxylate)nickel(II)","Acta Crystallographica Section C","2002","58","3","m152","m154","10.1107/S0108270102000859","","","0.71069","MoKα","","","0.029","","","","0.092","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012572","13.393","0.003","9.233","0.002","14.162","0.003","90","","91.81","0.03","90","","1750.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylphenyl 2-methoxyacridine-9-carboxylate","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","GD1177","Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Methylphenyl 2-methoxyacridine-9-carboxylate","Acta Crystallographica Section C","2002","58","3","o157","o158","10.1107/S0108270102000574","","","0.71073","MoKα","","0.096","0.053","","","0.129","0.153","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012573","7.2398","0.0011","8.6611","0.0012","11.0585","0.0018","107.84","0.012","106.719","0.013","97.729","0.011","613.04","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-1,3-thiazole","","- C11 H11 Cl N2 O2 S -","- C11 H11 Cl N2 O2 S -","- C22 H22 Cl2 N4 O4 S2 -","2","1","GD1182","Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco","Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds","Acta Crystallographica Section C","2002","58","3","o151","o153","10.1107/S0108270102000598","","","0.71073","MoKα","","0.089","0.051","","","0.098","0.113","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012574","7.3379","0.0009","19.242","0.002","8.7798","0.0008","90","","93.738","0.009","90","","1237","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-1,3-thiazole","","- C12 H12 Cl N O2 S -","- C12 H12 Cl N O2 S -","- C48 H48 Cl4 N4 O8 S4 -","4","1","GD1182","Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco","Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds","Acta Crystallographica Section C","2002","58","3","o151","o153","10.1107/S0108270102000598","","","0.71073","MoKα","","0.056","0.041","","","0.108","0.119","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012575","4.4432","0.0002","14.8002","0.0007","9.5955","0.0005","90","","94.072","0.001","90","","629.41","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium manganese diselenite","","- Mn O6 Se2 Sr -","- Mn O6 Se2 Sr -","- Mn4 O24 Se8 Sr4 -","4","1","GD1190","Johnston, Magnus G.; Harrison, William T. A.","Strontium manganese diselenite, SrMn(SeO~3~)~2~, containing unusual MnO~5+1~ polyhedra","Acta Crystallographica Section C","2002","58","3","i33","i34","10.1107/S0108270102001208","","","0.71073","MoKα","","0.046","0.036","","","0.087","0.09","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012576","11.9085","0.0015","5.5168","0.0007","12.2376","0.0015","90","","94.67","0.03","90","","801.3","0.18","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Trifluoromethylphenylacetonitrile","[4-(trifluoromethyl)phenyl]acetonitrile","","- C9 H6 F3 N -","- C9 H6 F3 N -","- C36 H24 F12 N4 -","4","1","GG1095","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","[4-(Trifluoromethyl)phenyl]acetonitrile","Acta Crystallographica Section C","2002","58","3","o145","o147","10.1107/S0108270102000707","","","0.71073","MoKα","","0.0556","0.0439","","","0.1187","0.1248","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012577","13.0928","0.0002","12.6946","0.0002","13.2335","0.0002","90","","90","","90","","2199.51","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(chloromethyl)phosphonium chloride monohydrate","","- C4 H10 Cl5 O P -","- C4 H10 Cl5 O P -","- C32 H80 Cl40 O8 P8 -","8","1","GG1097","Weisbarth, Ralf; Jansen, Martin","Tetrakis(chloromethyl)phosphonium chloride monohydrate","Acta Crystallographica Section C","2002","58","3","o189","o190","10.1107/S0108270102001543","","","0.71073","MoKα","","0.031","0.026","","","0.059","0.062","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012578","11.3791","0.0004","6.00794","0.00015","5.1456","0.0003","90","","113.202","0.003","90","","323.33","0.02","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","mercury(II) tungstate(VI)","","- Hg O4 W -","- Hg O4 W -","- Hg4 O16 W4 -","4","0.5","IZ1018","Åsberg Dahlborg, Magnus B.; Svensson, Göran","HgWO~4~ synthesized at high pressure and temperature","Acta Crystallographica Section C","2002","58","3","i35","i36","10.1107/S0108270102000379","","","0.71073","MoKα","","0.035","0.027","","","0.068","0.07","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012579","8.5397","0.0014","7.1025","0.0014","10.7187","0.0016","90","","107.46","0.013","90","","620.17","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-(2-deoxy-α-D-ribofuranosyl)-5-aza-7-deazaguanine","2-amino-8-(2-deoxy-α-D-erythro-pentofuranosyl) -8H-imidazo[1,2-a][1,3,5]triazin-4-one monohydrate","","- C10 H15 N5 O5 -","- C10 H15 N5 O5 -","- C20 H30 N10 O10 -","2","1","JZ1477","Seela, Frank; Rosemeyer, Helmut; Melenewski, Alexander; Heithoff, Eva-Maria; Eickmeier, Henning; Reuter, Hans","The α-<small>D</small> anomer of 5-aza-7-deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2002","58","3","o142","o144","10.1107/S0108270101021916","","","0.71073","MoKα","","0.0319","0.0297","","","0.074","0.0762","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012580","19.476","0.002","8.2737","0.0004","21.786","0.002","90","","107.583","0.002","90","","3346.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[aquabis(1,2-diaminoethane)copper(II)] [bis(1,2-diaminoethane)hexa-μ-cyano-tetracyanotricopper(II)dinickel(II) dihydrate]","","- C18 H38 Cu4 N18 Ni2 O3 -","- C18 H37.774 Cu4 N18 Ni2 O3 -","- C72 H151.096 Cu16 N72 Ni8 O12 -","4","1","JZ1484","Černák, Juraj; Abboud, Khalil A.","Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane)","Acta Crystallographica Section C","2002","58","3","m167","m170","10.1107/S0108270101021898","","","0.71073","MoKα","","0.098","0.044","","","0.088","0.108","","","","","","0.919","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012581","4.9211","0.0001","13.3792","0.0002","20.5881","0.0004","90","","90","","90","","1355.53","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5'-cyclowyosine.H~2~O","4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate","","- C13 H15 N5 O5 -","- C13 H15 N5 O5 -","- C52 H60 N20 O20 -","4","1","JZ1488","Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože","3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate","Acta Crystallographica Section C","2002","58","3","o133","o135","10.1107/S0108270101021904","","","0.71073","MoKα","","0.0383","0.0343","","","0.078","0.0799","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012582","7.0887","0.0007","9.9723","0.0009","14.417","0.0013","83.773","0.002","78.629","0.002","77.153","0.002","971.9","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","aquochloro(1,10-phenanthroline-N,N')(4-methylphenylsulfonate-O)copper(II)","","- C19 H17 Cl Cu N2 O4 S -","- C19 H17 Cl Cu N2 O4 S -","- C38 H34 Cl2 Cu2 N4 O8 S2 -","2","1","JZ1489","Aller, Cristina; Castro, Jesús; Pérez-Lourido, Paulo; Labisbal, Elena; García-Vázquez, José Arturo","Aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(<i>p</i>-toluenesulfonato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2002","58","3","m155","m157","10.1107/S0108270102000458","","","0.71073","MoKα","","0.0509","0.0468","","","0.1227","0.1259","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012583","6.8193","0.0014","6.7291","0.0013","9.0902","0.0018","90","","104.72","0.03","90","","403.44","0.15","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cyclohexylphosphonic acid","","- C6 H13 O3 P -","- C6 H13 O3 P -","- C12 H26 O6 P2 -","2","0.5","JZ1491","Merz, Klaus; Knüfer, Annegret","Cyclohexylphosphonic acid","Acta Crystallographica Section C","2002","58","3","o187","o188","10.1107/S0108270102001439","","","0.71073","MoKα","","0.04","0.037","","","0.1","0.103","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012584","12.114","0.0006","12.9702","0.0006","6.5813","0.0003","90","","99.646","0.001","90","","1019.44","0.08","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium‒2,4-dinitrophenolate‒water (1/2/2)","","- C16 H22 N6 O12 -","- C16 H22 N6 O12 -","- C32 H44 N12 O24 -","2","0.5","LN1130","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","Piperazine-1,4-diium‒2,4-dinitrophenolate‒water (1/2/2)","Acta Crystallographica Section C","2002","58","3","o136","o138","10.1107/S0108270101021667","","","0.71073","MoKα","","0.07","0.052","","","0.115","0.12","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012585","8.9304","0.0004","21.3533","0.0012","7.5895","0.0003","90","","90","","90","","1447.27","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","poly[(μ~2~-thiocyanato-N,S)-bis(nicotinamide-N)copper(I)","catena-Poly[[bis(nicotinamide-κN^1^)copper(I)]-μ-thiocyanato-κ^2^N:S]","","- C13 H12 Cu N5 O2 S -","- C13 H12 Cu N5 O2 S -","- C52 H48 Cu4 N20 O8 S4 -","4","0.5","LN1135","Jeß, Inke","<i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","2002","58","3","m190","m192","10.1107/S0108270102001592","","","0.71073","MoKα","","0.042","0.03","","","0.073","0.078","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012586","11.628","0.0003","15.0898","0.0003","25.61","0.0006","90","","90.342","0.001","90","","4493.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate","","- C70 H62 Cl16 Fe2 O P4 Sb4 -","- C70 H62 Cl16 Fe2 O P4 Sb4 -","- C140 H124 Cl32 Fe4 O2 P8 Sb8 -","2","0.5","NA1547","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kasim, Nor Azilah","Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate","Acta Crystallographica Section C","2002","58","3","m162","m164","10.1107/S0108270101021370","","","0.71073","MoKα","","0.07","0.042","","","0.099","0.108","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012587","7.7922","0.0014","21.538","0.004","24.351","0.005","90","","98.92","0.02","90","","4037.4","1.4","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorobenzyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C192 H144 Cl12 N12 O24 -","12","3","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","1.54178","CuKα","","0.093","0.065","","","0.174","0.2","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012588","15.847","0.002","7.919","0.0007","11.0602","0.0011","90","","94.75","0.009","90","","1383.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Bromo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C64 H48 Br4 N4 O8 -","4","1","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","0.71073","MoKα","","0.068","0.042","","","0.114","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012589","15.6702","0.0008","6.156","0.0005","14.5889","0.0007","90","","112.236","0.004","90","","1302.67","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione","","- C15 H9 Cl2 N O2 -","- C15 H9 Cl2 N O2 -","- C60 H36 Cl8 N4 O8 -","4","1","NA1552","Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.","Three tetrahydroisoquinolinedione derivatives","Acta Crystallographica Section C","2002","58","3","o164","o167","10.1107/S0108270102000896","","","0.71073","MoKα","","0.05","0.036","","","0.144","0.156","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012590","11.349","0.002","4.704","0.002","13.731","0.001","90","","106.43","0.01","90","","703.1","0.3","294.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 Pt -","- C18 H12 N2 O2 Pt -","- C36 H24 N4 O4 Pt2 -","2","0.5","OA1121","Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro","Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate","Acta Crystallographica Section C","2002","58","3","m147","m149","10.1107/S0108270102000045","","","0.7107","MoKα","","","0.018","","","","0.045","","","","","","0.971","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012591","10.665","0.003","14.492","0.003","7.266","0.002","100.46","0.02","104.13","0.02","85.93","0.02","1070.5","0.5","294.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl2 N2 O6 Pt -","- C18 H22 Cl2 N2 O6 Pt -","- C36 H44 Cl4 N4 O12 Pt2 -","2","1","OA1121","Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro","Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate","Acta Crystallographica Section C","2002","58","3","m147","m149","10.1107/S0108270102000045","","","0.7107","MoKα","","","0.044","","","","0.136","","","","","","1.033","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2012592","9.89","0.001","16.563","0.001","15.135","0.002","90","","91.67","0.01","90","","2478.2","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-methylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum","","- C22 H14 Ir2 Mo2 O10 -","- C22 H14 Ir2 Mo2 O10 -","- C88 H56 Ir8 Mo8 O40 -","4","1","OA1125","Lucas, Nigel T.; Humphrey, Mark G.","Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","3","m171","m173","10.1107/S0108270102000057","","","0.7107","MoKα","","0.05","0.033","","0.04","","0.038","","","1.7","","","1.835","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012593","38.199","0.004","36.135","0.005","9.303","0.004","90","","90","","90","","12841","6","296.2","","296.2","","","","","","","","","6","F d d 2","F 2 -2d","43","","tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-tetramethylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum dichloromethane hemisolvate","","- C28.5 H27 Cl Ir2 Mo2 O10 -","- C28 H26 Cl Ir2 Mo2 O10 -","- C448 H416 Cl16 Ir32 Mo32 O160 -","16","1","OA1125","Lucas, Nigel T.; Humphrey, Mark G.","Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","3","m171","m173","10.1107/S0108270102000057","","","0.7107","MoKα","","0.046","0.023","","0.026","","0.023","","","0.79","","","0.82","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012594","6.791","0.001","11.17","0.002","11.246","0.002","93.75","0.03","97.13","0.03","102.56","0.02","822.4","0.3","140","","293","","","","","","","","","4","P -1","-P 1","2","monlow","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","2","OA1127","Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem","1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section C","2002","58","3","o148","o150","10.1107/S0108270102001087","","","0.71073","MoKα","","0.1277","0.0546","","","0.1288","0.1692","","","","","","0.905","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012595","6.774","0.002","15.875","0.003","13.477","0.003","90","","90","0.03","90","","1449.3","0.6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","Magnet-4","Dispiro[2H-benzimidazole-2,1'-cyclohexane-4',2''- [2H]benzimidazole],1,-oxide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","","OA1128","Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark","Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide","Acta Crystallographica Section C","2002","58","3","o183","o186","10.1107/S0108270102001099","","","0.71069","MoKα","","0.0648","0.0425","","","0.112","0.1191","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012596","5.416","0.002","7.29","0.002","10.426","0.003","104.39","0.03","104.15","0.03","98.41","0.03","377.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Magnet-5","dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","1","0.5","OA1128","Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark","Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide","Acta Crystallographica Section C","2002","58","3","o183","o186","10.1107/S0108270102001099","","","0.71069","MoKα","","0.0936","0.0534","","","0.1258","0.1393","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012597","16.0287","0.0011","9.6132","0.0007","20.2697","0.0015","90","","110.906","0.001","90","","2917.7","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{tris[2-(benzylamino)ethyl]amine-κ^4^N}silver(I) perchlorate","","- C27 H36 Ag Cl N4 O4 -","- C27 H36 Ag Cl N4 O4 -","- C108 H144 Ag4 Cl4 N16 O16 -","4","1","OB1051","Yoon, Il; Shin, Yong Woon; Kim, Jineun; Park, Ki-Min; Park, Sung Bae; Lee, Shim Sung","A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-κ^4^<i>N</i>}silver(I) perchlorate","Acta Crystallographica Section C","2002","58","3","m165","m166","10.1107/S0108270102000665","","","0.71073","MoKα","","0.048","0.033","","","0.081","0.09","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012598","10.942","0.002","10.223","0.001","21.092","0.002","90","","101.24","0.01","90","","2314.1","0.5","299","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]cobalt(II)","","- C44 H54 Co N8 Ni2 O10 -","- C44 H54 Co N8 Ni2 O10 -","- C88 H108 Co2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","0.71073","MoKα","","","0.031","","","","0.085","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012599","10.952","0.0012","10.2387","0.0013","21.0884","0.0012","90","","101.252","0.003","90","","2319.3","0.4","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]copper(II)","","- C44 H54 Cu N8 Ni2 O10 -","- C44 H54 Cu N8 Ni2 O10 -","- C88 H108 Cu2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","1.5418","CuKα","","","0.05","","","","0.159","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012600","11.009","0.002","10.206","0.0008","21.216","0.002","90","","101.247","0.007","90","","2338","0.5","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]manganese(II)","","- C44 H54 Mn N8 Ni2 O10 -","- C44 H54 Mn N8 Ni2 O10 -","- C88 H108 Mn2 N16 Ni4 O20 -","2","0.5","OB1055","Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut","Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)","Acta Crystallographica Section C","2002","58","3","m193","m196","10.1107/S0108270102001609","","","0.71073","MoKα","","","0.033","","","","0.099","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012601","7.557","0.001","8.618","0.001","10.582","0.001","108.26","0.01","104.5","0.01","102.37","0.01","600.65","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Barium tetraphosphate","Barium tetraphosphate","","- Ba3 O13 P4 -","- Ba3 O13 P4 -","- Ba6 O26 P8 -","2","1","OS1147","Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.","Barium tetraphosphate","Acta Crystallographica Section C","2002","58","3","i29","i30","10.1107/S0108270101021588","","","0.71073","MoKα","","0.0402","0.0315","","","0.0917","0.0994","","","","","","0.898","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012602","11.6418","0.0012","11.5449","0.0011","6.8981","0.0007","90","","99.476","0.01","90","","914.48","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","phenazine β-polymorph","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","OS1149","Jankowski, Wojciech; Gdaniec, Maria","The β-polymorph of phenazine","Acta Crystallographica Section C","2002","58","3","o181","o182","10.1107/S0108270102001464","","","0.71073","MoKα","","0.072","0.053","","","0.135","0.149","","","","","","1.227","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012603","7.0983","0.0011","9.3947","0.0015","13.88","0.002","87.686","0.003","79.635","0.003","79.498","0.003","895.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6,21-diaza-3,9,18,24-tetraazoniatricyclo[22.2.2.2^11,14^]triaconta- 11,13,24,26(1),27,29-hexaene benzene-1,2,4,5-tetracarboxylate hexahydrate","","- C34 H56 N6 O14 -","- C34 H56 N6 O14 -","- C34 H56 N6 O14 -","1","0.5","SK1508","Zhu, Long-Gen; Ellern, Arkady M.; Kostić, Nenad M.","The binary adduct of 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene and benzene-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section C","2002","58","3","o129","o130","10.1107/S0108270101020777","","","0.71073","MoKα","","0.099","0.047","","","0.093","0.104","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012604","36.426","0.009","9.141","0.001","6.281","0.002","90","","90","","90","","2091.4","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-17α-hydroxy-17β-benzylestra-1,3,5(10)-trien-16-one","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","SK1521","Stanković, Slobodanka; Lazar, Dušan; Medić-Mijačević, Ljubica; Penov-Gaši, Katarina; Sakač, Marija; Andrić, Silvana; Milenko, Bruvo","<small>D</small>-Secoestrone derivatives. VI. 17β-Benzyl-17α-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","2002","58","3","o172","o173","10.1107/S0108270101020807","","","1.5418","CuKα","","0.055","0.047","","","0.117","0.125","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012605","10.5606","0.0013","12.1254","0.0009","14.8196","0.001","90","","107.389","0.006","90","","1810.9","0.3","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate","","- C19 H17 N3 O4 S -","- C19 H17 N3 O4 S -","- C76 H68 N12 O16 S4 -","4","1","SK1525","Gallagher, John F.; Coleman, Clare M.; O'Shea, Donal F.","Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1<i>H</i>-imidazol-4-yl]sulfanyl}acetate: synthesis <i>via</i> a microwave-mediated combinatorial chemistry approach","Acta Crystallographica Section C","2002","58","3","o139","o141","10.1107/S0108270101020571","","","0.71073","MoKα","","0.066","0.042","","","0.098","0.11","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012606","13.716","0.003","14.103","0.003","6.214","0.004","90","","90","","90","","1202","0.9","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-cis-3-trans-3-Ethyl-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid","","- C12 H20 O3 -","- C12 H20 O3 -","- C48 H80 O12 -","4","1","SK1530","Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","<i>trans</i>-3-Ethyl-<i>cis</i>-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen","Acta Crystallographica Section C","2002","58","3","o159","o161","10.1107/S0108270102000252","","","0.71069","MoKα","","0.062","0.034","","","0.081","0.092","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012607","7.3677","0.0003","14.7904","0.0019","25.379","0.003","90","0.009","90","0.009","90","0.009","2765.6","0.5","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O14 Rb3 Ta5 -","- O14 Rb3 Ta5 -","- O112 Rb24 Ta40 -","8","1","TA1346","du Boulay, Douglas; Yamashita, Reiko; Ishizawa, Nobuo","Synchrotron X-ray study of orthorhombic Rb~3~Ta~5~O~14~ with a modified pyrochlore structure","Acta Crystallographica Section C","2002","58","3","i40","i44","10.1107/S010827010101890X","","","0.8499","synchrotron","","0.044","0.043","","0.047","","0.047","","","3.244","","","3.275","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012608","9.049","0.002","10.507","0.003","10.779","0.003","71.79","0.04","89.52","0.04","76.13","0.04","942.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis[(4-aminopyridinio)acetato-κO]diaquamanganese(II) diperchlorate","","- C28 H36 Cl2 Mn N8 O18 -","- C28 H36 Cl2 Mn N8 O18 -","- C28 H36 Cl2 Mn N8 O18 -","1","0.5","TA1355","Zhang, Yu; Tao, Hanbing; Duan, Chunying; Li, Yizhi; Zhu, Longgen","Tetrakis[(4-aminopyridinio)acetato-κ<i>O</i>]diaquamanganese(II) diperchlorate","Acta Crystallographica Section C","2002","58","3","m188","m189","10.1107/S0108270102000343","","","0.71073","MoKα","","0.055","0.049","","","0.143","0.148","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012609","20.0909","0.0004","11.3466","0.0001","15.6407","0.0004","90","","95.476","0.001","90","","3549.24","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^N:N']] benzene-1,2,4,5-tetracarboxylate(4-) dihydrate]","","- C30 H38 Co2 N4 O18 -","- C30 H38 Co2 N4 O18 -","- C120 H152 Co8 N16 O72 -","4","0.5","VJ1159","Wu, Chuan-De; Lu, Can-Zhong; Yu, Ya-Qin; Zhuang, Hong-Hui; Huang, Jin-Shun","<i>catena</i>-Poly[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,2,4,5-tetracarboxylate(4{-}) dihydrate]","Acta Crystallographica Section C","2002","58","3","m197","m198","10.1107/S0108270102001579","","","0.71073","MoKα","","0.061","0.047","","","0.106","0.117","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012610","10.03","0.001","11.336","0.001","13.656","0.002","90.99","0.02","109.47","0.02","101.01","0.03","1431.4","0.4","213","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Ag N5 O3 -","- C10 H16 Ag N5 O3 -","- C40 H64 Ag4 N20 O12 -","4","2","BK1637","Mohamed, Ahmed A.; Fackler, John P. Jr","Bis(3,5-dimethylpyrazole-κ<i>N</i>^2^)silver(I) nitrate","Acta Crystallographica Section C","2002","58","4","m228","m229","10.1107/S0108270102002044","","","0.71073","MoKα","","0.0559","0.04","","","0.0881","0.0943","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012611","7.357","0.002","7.667","0.002","8.19","0.002","92.1","0.01","109.81","0.01","117.31","0.01","375.84","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4,7-dichlorobenzo[c]furazan 1-oxide, polymorph I","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C12 H4 Cl4 N4 O4 -","2","1","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.04","0.034","","","0.091","0.095","","","","","","1.09","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012612","21.828","0.005","7.819","0.002","27.501","0.007","90","","105.21","0.03","90","","4529","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,7-dichlorobenzo[c]furazan 1-oxide, polymorph II","","- C6 H2 Cl2 N2 O2 -","- C6 H2 Cl2 N2 O2 -","- C144 H48 Cl48 N48 O48 -","24","3","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.045","0.034","","","0.077","0.081","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012613","22.81","0.006","7.835","0.002","27.859","0.007","90","","105.31","0.02","90","","4802","2","175","2","175","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,7-dibromobenzo[c]furazan 1-oxide","","- C6 H2 Br2 N2 O2 -","- C6 H2 Br2 N2 O2 -","- C144 H48 Br48 N48 O48 -","24","3","BK1639","Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.","The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide","Acta Crystallographica Section C","2002","58","4","o235","o238","10.1107/S0108270102003591","","","0.71073","MoKα","","0.06","0.033","","","0.053","0.058","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012614","11.803","0.001","25.951","0.002","12.31","0.001","90","","115.31","0.01","90","","3408.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(3,4,7,8-Tetramethyl-1,10-phenanthroline-N,N')nickel(II) dinitrate, methanol solvate","","- C33 H40 N6 Ni O9 -","- C32.846 H36 N6 Ni O8.846 -","- C131.384 H144 N24 Ni4 O35.384 -","4","1","BK1640","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Two nickel complexes stabilized by nitrate counter-ions","Acta Crystallographica Section C","2002","58","4","m221","m224","10.1107/S0108270102002834","","","0.71073","MoKα","","0.084","0.056","","","0.15","0.163","","","","","","0.951","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2012615","12.328","0.002","14.851","0.003","14.124","0.003","90","","100.06","0.03","90","","2546.1","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Triaqua-(2,4,6-tris(2-Pyridyl)-1,3,5-triazine-N,N',N"")nickel(II), dinitrate, trihydrate","","- C18 H24 N8 Ni O12 -","- C18 H24 N8 Ni O12 -","- C72 H96 N32 Ni4 O48 -","4","1","BK1640","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Two nickel complexes stabilized by nitrate counter-ions","Acta Crystallographica Section C","2002","58","4","m221","m224","10.1107/S0108270102002834","","","0.71073","MoKα","","0.041","0.037","","","0.089","0.092","","","","","","0.924","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012616","15.1714","0.0009","9.019","0.0005","17.2111","0.001","90","","90","","90","","2355","0.2","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","cis-Dioxocyclam","1,4,8,11-Tetraazacyclotetradecane-5,7-dione","","- C10 H20 N4 O2 -","- C10 H20 N4 O2 -","- C80 H160 N32 O16 -","8","","BK1641","Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A.","<i>cis</i>-Dioxocyclam","Acta Crystallographica Section C","2002","58","4","o226","o227","10.1107/S0108270102003165","","","0.71073","MoKα","","0.036","0.034","","","0.087","0.088","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012617","8.3991","0.001","15.51","0.003","7.1584","0.001","90","","104.261","0.01","90","","903.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(thiourea-κS)gold(I) chloride","","- C2 H8 Au Cl N4 S2 -","- C2 H8 Au Cl N4 S2 -","- C8 H32 Au4 Cl4 N16 S8 -","4","0.5","BM1485","Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.","Two thiourea-containing gold(I) complexes","Acta Crystallographica Section C","2002","58","4","m252","m255","10.1107/S0108270102003062","","","0.71073","MoKα","","0.064","0.031","","","0.089","0.102","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012618","8.059","0.0001","11.498","0.0002","20.069","0.0004","88.813","0.0009","85.054","0.0011","88.217","0.0012","1851.52","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(thiourea-κS)gold(I)] sulfate","","- C4 H16 Au2 N8 O4 S5 -","- C4 H16 Au2 N8 O4 S5 -","- C16 H64 Au8 N32 O16 S20 -","4","2","BM1485","Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.","Two thiourea-containing gold(I) complexes","Acta Crystallographica Section C","2002","58","4","m252","m255","10.1107/S0108270102003062","","","0.7107","MoKα","","0.055","0.049","","","0.133","0.139","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012619","13.3194","0.0003","7.7311","0.0001","16.5545","0.0003","90","","90","","90","","1704.68","0.05","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","3,4-(4-methoxybenzo):8,9-benzo-bicyclo[4.4.1]undeca-3,9-dien-11-one ethylene acetal","5-methoxyspiro[tetracyclo[8.8.1.0^3,8^.0^12,17^]nonadeca-3,5,7,12,14,16-hexene- 19,2'-[1,3]dioxolane]","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","BM1488","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal","Acta Crystallographica Section C","2002","58","4","o218","o219","10.1107/S0108270102001816","","","0.71073","MoKα","","0.0378","0.0338","","","0.082","0.0842","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012620","14.238","0.002","8.3554","0.0013","16.487","0.003","90","","95.261","0.003","90","","1953.1","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium nonastannide","","- K4 Sn9 -","- K4 Sn9 -","- K16 Sn36 -","4","1","BR1356","Hoch, Constantin; Wendorff, Marco; Röhr, Caroline","Tetrapotassium nonastannide, K~4~Sn~9~","Acta Crystallographica Section C","2002","58","4","i45","i46","10.1107/S0108270102002032","","","0.7107","MoKα","","0.0498","0.027","","","0.0475","0.0582","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012621","8.3979","0.0009","5.3327","0.0006","11.1482","0.0012","90","","108.422","0.002","90","","473.67","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Trimercury(II) {bis[selenite(IV)] selenate(VI)}]","","- Hg3 O10 Se3 -","- Hg3 O10 Se3 -","- Hg6 O20 Se6 -","2","1","BR1358","Weil, Matthias; Kolitsch, Uwe","Hg~3~Se~3~O~10~, a mercury(II) compound with mixed-valence oxoselenium(IV/VI) anions","Acta Crystallographica Section C","2002","58","4","i47","i49","10.1107/S0108270102001920","","","0.71073","MoKα","","0.032","0.027","","","0.058","0.06","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012622","7.93","0.002","7.93","0.002","20.21","0.009","90","","90","","120","","1100.6","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","ethoxydinitronitrosyl(N,N,N',N'-tetramethylethylendiamine- κ^2^N,N')ruthenium(II)","","- C8 H21 N5 O6 Ru -","- C8 H21 N5 O6 Ru -","- C24 H63 N15 O18 Ru3 -","3","1","DA1216","Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E.","A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","Acta Crystallographica Section C","2002","58","4","m235","m236","10.1107/S0108270102001701","","","1.5418","CuKα","","0.035","0.035","","","0.094","0.094","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012623","10.255","0.0015","9.509","0.0014","13.455","0.0014","90","","99.715","0.011","90","","1293.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbobenzoxy-dehydro-leucyl-alanyl-leucylmethylester","methyl N-(benzyloxycarbonyl)-α,β-dehydroleucyl-L-alanyl-L-leucinate","","- C24 H35 N3 O6 -","- C24 H35 N3 O6 -","- C48 H70 N6 O12 -","2","1","DE1174","Makker, Jyoti; Dey, Sharmistha; Kumar, Pravindra; Singh, Tej P.","Design of peptides with α,β-dehydro residues: pseudo-tripeptide <i>N</i>-benzyloxycarbonyl‒ΔLeu‒<small>L</small>-Ala‒<small>L</small>-Leu‒OCH~3~","Acta Crystallographica Section C","2002","58","4","o212","o214","10.1107/S0108270101016468","","","1.5418","CuKα","","0.0614","0.053","","","0.1472","0.1542","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012624","18.3531","0.0018","10.871","0.0012","13.821","0.0012","90","","90","","90","","2757.5","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","triethylammonium 26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate","","- C34 H39 N O4 -","- C34 H39 N O4 -","- C136 H156 N4 O16 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.1","0.057","","","0.106","0.124","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012625","20.1364","0.0014","30.908","0.0014","16.0088","0.001","90","","118.587","0.003","90","","8748.9","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tris(triethylammonium) tris{26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate} acetonitrile solvate","","- C104 H120 N4 O12 -","- C104 H120 N4 O12 -","- C416 H480 N16 O48 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.095","0.056","","","0.12","0.14","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012626","7.7958","0.0011","9.9319","0.0014","14.849","0.002","74.673","0.002","81.96","0.002","79.617","0.002","1085.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridine)(dichromate)copper(II)","","- C20 H16 Cr2 Cu N4 O7 -","- C20 H16 Cr2 Cu N4 O7 -","- C40 H32 Cr4 Cu2 N8 O14 -","2","1","FR1351","Maggard, Paul A.; Kopf, Amy L.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(dichromato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2002","58","4","m207","m209","10.1107/S0108270101021722","","","0.71073","MoKα","","0.0469","0.039","","","0.1029","0.1088","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012627","9.923","0.003","9.527","0.003","27.337","0.007","90","","90","","90","","2584.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-aminopyridium 2-chloro-4-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.096","0.04","","","0.097","0.137","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012628","12.624","0.004","7.27","0.002","14.023","0.005","90","","96.329","0.005","90","","1279.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Aminopyridium 2-chloro-5-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C48 H40 Cl4 N12 O16 -","4","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.053","0.034","","","0.084","0.093","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012629","12.219","0.006","8.488","0.004","13.368","0.006","90","","112.467","0.009","90","","1281.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridium 5-chloro-2-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C48 H40 Cl4 N12 O16 -","4","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.114","0.049","","","0.121","0.146","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012630","25.608","0.019","8.475","0.006","12.433","0.01","90","","103.749","0.014","90","","2621","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Aminopyridium 4-chloro-2-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.065","0.037","","","0.093","0.12","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012631","3.513","0.002","11.802","0.002","9.191","0.001","90","","99.5","0.02","90","","375.8","0.2","296.2","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-poly[[(6-carboxypyridine-2-carboxylato-κ^3^O,N,O')lithium(I)]-μ- aqua-κ^2^O:O]","","- C7 H6 Li N O5 -","- C7 H6 Li N O5 -","- C14 H12 Li2 N2 O10 -","2","0.5","GG1090","Odoko, Mamiko; Kusano, Ai; Oya, Naomi; Okabe, Nobuo","A lithium complex of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","m215","m216","10.1107/S0108270102002718","","","0.71073","MoKα","","","0.068","","","","0.235","","","","","","1.153","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012632","10.418","0.004","6.627","0.003","11.733","0.005","90","","106.29","0.02","90","","777.5","0.6","160","2","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}manganese(III)","","- C16 H16 Cl Mn N2 O3 -","- C16 H16 Cl Mn N2 O3 -","- C32 H32 Cl2 Mn2 N4 O6 -","2","1","GG1092","Martínez, David; Motevalli, Majid; Watkinson, Michael","Aquachloro[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneiminato)]manganese(III)","Acta Crystallographica Section C","2002","58","4","m258","m260","10.1107/S0108270102003529","","","0.71073","MoKα","","","0.037","","","","0.099","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012633","18.3307","0.0002","10.9887","0.0001","18.7279","0.0002","90","","106.172","0.0007","90","","3623.1","0.07","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Br F3 Ni P2 -","- C42 H36 Br F3 Ni P2 -","- C168 H144 Br4 F12 Ni4 P8 -","4","1","GG1096","Edwards, Alison J.; Wenger, Eric","The seven-membered nickelacycle [NiBr{<i>o</i>-CH=C(CF~3~)C~6~H~4~CH~2~PPh~2~-κ^2^<i>C</i>,<i>P</i>}{PPh(CH~2~Ph)~2~}]","Acta Crystallographica Section C","2002","58","4","m230","m231","10.1107/S0108270102002883","","","0.71073","MoKα","","","0.0312","","","","0.0362","","","","","","1.0509","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012634","8.8719","0.0017","12.0961","0.0017","15.323","0.004","90","","94.702","0.016","90","","1638.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-(5-bromo-2-oxidobenzylideneamino)benzoato-κ^3^O,N,O']dimethyltin(IV)","","- C16 H14 Br N O3 Sn -","- C16 H14 Br N O3 Sn -","- C64 H56 Br4 N4 O12 Sn4 -","4","1","GG1098","Georgina M. Rosair; Dey, Dilip Kumar; Samanta, Brajagopal; Mitra, Samiran","[5-Bromo-<i>N</i>-(2-carboxylatophenyl)salicylideniminato]dimethyltin(IV)","Acta Crystallographica Section C","2002","58","4","m266","m267","10.1107/S0108270102003530","","","0.71073","MoKα","","0.053","0.042","","","0.103","0.109","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012635","8.8647","0.0002","13.3168","0.0003","15.1469","0.0004","72.154","0.0008","78.62","0.0009","88.348","0.0015","1667.63","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis[1-(3-chloropropyl)-1,2,4-triazole- κN^4^]bis(tetrafluoroborato)copper(II)","","- C20 H32 B2 Cl4 Cu F8 N12 -","- C20 H32 B2 Cl4 Cu F8 N12 -","- C40 H64 B4 Cl8 Cu2 F16 N24 -","2","1","GG1102","Mills, Allison M.; Flinzner, Kristel; Stassen, Arno F.; Haasnoot, Jaap G.; Spek, Anthony L.","Tetrakis[1-(3-chloropropyl)-1,2,4-triazole-κ<i>N</i>^4^]bis(tetrafluoroborato-κ<i>F</i>)copper(II)","Acta Crystallographica Section C","2002","58","4","m243","m245","10.1107/S0108270102003086","","","0.71073","MoKα","","0.0785","0.0502","","","0.1153","0.1285","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012636","8.0859","0.0005","11.8567","0.0007","9.2347","0.0005","90","","113.512","0.001","90","","811.85","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Caesium molybdenomethylendiphosphonate","","- C H3 Cs Mo O8 P2 -","- C H2 Cs Mo O8 P2 -","- C4 H8 Cs4 Mo4 O32 P8 -","4","1","IZ1019","Barthelet, Karin; Riou, Didier; Férey, Gerard","CsMoO~2~(HO~3~P‒CH~2~‒PO~3~): a new metallodiphosphonate with a hybrid framework","Acta Crystallographica Section C","2002","58","4","m264","m265","10.1107/S0108270102003992","","","0.71073","MoKα","","0.048","0.033","","0.09","","0.081","","","1.068","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012637","9.3225","0.0019","8.0089","0.0017","21.651","0.005","90","","102.263","0.005","90","","1579.6","0.6","293","2","293","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","barium copper indium nitride","tetradecabarium dicopper tetraindium heptanitride","","- Ba14 Cu2 In4 N7 -","- Ba14 Cu2 In4 N7 -","- Ba28 Cu4 In8 N14 -","2","0.5","IZ1020","Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko","Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters","Acta Crystallographica Section C","2002","58","4","i50","i52","10.1107/S010827010200361X","","","0.71073","MoKα","","0.08","0.045","","","0.102","0.112","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012638","11.752","0.003","17.795","0.003","9.594","0.003","90","","107.95","0.03","90","","1908.7","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(4-methylpyridine-κN)copper(II)]-bis-μ-[[dicyanoargentate(I)- κ^2^N:N']]","","- C16 H14 Ag2 Cu N6 -","- C16 H14 Ag2 Cu N6 -","- C64 H56 Ag8 Cu4 N24 -","4","0.5","JZ1492","Triščíková, Ľubica; Potočňák, Ivan; Wagner, Christoph","Low-dimensional compounds containing cyano groups. I. <i>catena</i>-Poly[[[dicyanoargentato(I)-κ<i>N</i>]bis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-dicyanoargentato(I)-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2002","58","4","m246","m248","10.1107/S0108270102002123","","","0.71073","MoKα","","0.025","0.019","","","0.047","0.049","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012639","42.785","0.012","10.32","0.014","32.238","0.011","90","","130.785","0.012","90","","10778","15","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-[1,2-Bis(diisopropylphosphino-κP)-1,2-dicarba-closo- dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate","","- C14.5 H39 B10 Cl3 P2 Pt -","- C14.5 H39 B10 Cl3 P2 Pt -","- C232 H624 B160 Cl48 P32 Pt16 -","16","2","JZ1494","Paavola, Sari; Teixidor, Francesc; Viñas, Clara; Kivekäs, Raikko","<i>cis</i>-[1,2-Bis(diisopropylphosphino-κ<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","4","m237","m239","10.1107/S0108270102002184","","","0.71073","MoKα","","0.124","0.068","","","0.133","0.146","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012640","8.5466","0.0012","12.1018","0.0016","12.9993","0.0016","109.293","0.014","99.966","0.016","95.14","0.01","1234.2","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","(BETS)Fe(tdas)~2~","bis[4,5-ethylenedithio-2-(4,5-ethylenedithio-1,3-diselenacyclopent-4-en-2- ylidene)-1,3-diselenacyclopent-4-enium] bis(μ-1,2,5-thiadiazole-3,4-dithiolato-κ^3^S^4^,S^5^:S^4^)- bis[(1,2,5-thiadiazole-3,4-dithiolato-κ^2^S^4^,S^5^)iron(III)]","","- C28 H16 Fe2 N8 S20 Se8 -","- C28 H16 Fe2 N8 S20 Se8 -","- C28 H16 Fe2 N8 S20 Se8 -","1","0.5","JZ1495","Pilia, Luca; Faulmann, Christophe; Malfant, Isabelle; Collière, Vincent; Mercuri, Maria Laura; Deplano, Paola; Cassoux, Patrick","(BETS)~2~[Fe(tdas)~2~]~2~: a new metal in the molecular conductor family","Acta Crystallographica Section C","2002","58","4","m240","m242","10.1107/S010827010200330X","","","0.71073","MoKα","","0.049","0.033","","","0.068","0.073","","","","","","0.982","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2012641","20.598","0.004","20.598","0.004","14.07","0.008","90","","90","","90","","5970","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetra-μ-acetato-κ^2^O:O'-bis[(4-phenylpyridine-κN)copper(II)]","","- C30 H30 Cu2 N2 O8 -","- C30 H30 Cu2 N2 O8 -","- C240 H240 Cu16 N16 O64 -","8","0.5","JZ1496","Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Zheng, Shao-Liang; Ng, Seik Weng","Tetra-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis[(4-phenylpyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section C","2002","58","4","m232","m234","10.1107/S0108270102002962","","","0.71073","MoKα","","0.1","0.053","","","0.121","0.14","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012642","7.632","0.004","10.341","0.005","6.289","0.005","90","","112.77","0.04","90","","457.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","tert-Butyltrichlorotin(IV)","tert-Butyltrichlorotin(IV)","","- C4 H9 Cl3 Sn -","- C4 H9 Cl3 Sn -","- C8 H18 Cl6 Sn2 -","2","0.5","LN1131","Reuter, Hans; Eickmeier, Henning; Puff, Heinrich; Beckermann, Norbert; Hänssgen, Dieter","Tin‒halide compounds. IV. <i>tert</i>-Butyltrichlorotin(IV)","Acta Crystallographica Section C","2002","58","4","m217","m218","10.1107/S0108270102001737","","","0.71073","MoKα","","0.036","0.036","","","0.101","0.101","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012643","11.036","0.001","12.348","0.001","14.002","0.001","76.35","0.01","77.19","0.01","70.82","0.01","1729.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis-[hydrogen-1,1'-bis(diphenylphosphinato)ferrocenium octachlorodiantimony(III)","","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","- C68 H58 Cl8 Fe2 O4 P4 Sb2 -","1","0.5","LN1132","Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kassim, Nor Azilah M.","Bis[hydrogen 1,1'-bis(diphenylphosphinato)ferrocenium] octachlorodiantimony(III)","Acta Crystallographica Section C","2002","58","4","m225","m227","10.1107/S0108270102002056","","","0.71073","MoKα","","0.0307","0.0272","","","0.074","0.0755","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012644","13.204","0.001","9.694","0.001","13.655","0.001","90","","117.11","0.01","90","","1555.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenylmonoethylphosphine-dithiomonometaphosphoryl chloride","","- C14 H15 Cl P2 S2 -","- C14 H15 Cl P2 S2 -","- C56 H60 Cl4 P8 S8 -","4","1","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.03","0.028","","","0.08","0.081","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012645","11.413","0.003","11.413","0.004","13.566","0.003","90","","90","","120","","1530.3","0.8","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl chloride","","- C9 H21 Cl P2 S2 -","- C9 H21 Cl0.99999 P2 S2.00001 -","- C36 H84 Cl3.99996 P8 S8.00004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.022","0.022","","","0.053","0.054","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012646","11.522","0.003","11.522","0.003","13.45","0.004","90","","90","","120","","1546.4","0.7","180","2","180","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Tris-n-propylphosphine-dithiomonometaphosphoryl bromide","","- C9 H21 Br P2 S2 -","- C9 H21 Br0.9999 P2 S2.0001 -","- C36 H84 Br3.9996 P8 S8.0004 -","4","0.333333","LN1136","Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian","Triorganophosphine‒dithiomonometaphosphoryl halides","Acta Crystallographica Section C","2002","58","4","o247","o250","10.1107/S0108270102004080","","","0.71073","MoKα","","0.06","0.033","","","0.057","0.061","","","","","","0.892","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012647","22.1109","0.0004","6.9308","0.0001","22.1109","0.0004","90","","95.128","0.001","90","","3374.85","0.1","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]indol-2(3H)-one","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","NA1555","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]-1<i>H</i>-indol-2(3<i>H</i>)-one: a twinned crystal","Acta Crystallographica Section C","2002","58","4","o239","o241","10.1107/S0108270102003542","","","0.71073","MoKα","","0.131","0.057","","","0.122","0.145","","","","","","0.822","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012648","14.877","0.004","14.775","0.003","15.581","0.004","90","","115.8","0.02","90","","3083.4","1.4","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","","- C30 H54 Ag4 F12 N2 O16 S16 -","- C30 H54 Ag4 F12 N2 O16 S16 -","- C60 H108 Ag8 F24 N4 O32 S32 -","2","0.5","OA1126","Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku","A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","Acta Crystallographica Section C","2002","58","4","m213","m214","10.1107/S0108270102001075","","","0.7107","MoKα","","","0.047","","","","0.133","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012649","9.583","0.002","10.74","0.002","15.247","0.003","106.79","0.03","90.65","0.02","104.09","0.03","1451.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazinethione","1-Methyl-5,6-diphenyl-2(1H)-pyrazinethione","","- C17 H14 N2 S -","- C17 H14 N2 S -","- C68 H56 N8 S4 -","4","2","OA1129","Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem; Scheffer, John R.; Yang, Jie","1-Methyl-5,6-diphenylpyrazine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2002","58","4","o220","o222","10.1107/S0108270102001105","","","0.71073","MoKα","","0.1449","0.0494","","","0.091","0.1072","","","","","","0.811","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012650","3.7663","0.0006","16.1667","0.0012","5.5705","0.0004","90","","93.156","0.007","90","","338.67","0.06","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Dipicolinic acid","2,6-pyridinedicarboxylic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C14 H10 N2 O8 -","2","0.5","SK1531","Carranza Téllez, Vladimir; Sánchez Gaytán, Brenda; Bernès, Sylvain; González Vergara, Enrique","The supramolecular structure of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2002","58","4","o228","o230","10.1107/S0108270102002172","","","0.71073","MoKα","","0.043","0.04","","","0.118","0.121","","","","","","1.061","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012651","36.449","0.003","9.082","0.002","11.636","0.002","90","","106.1","0.07","90","","3700.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tos-Aib-ONP~o~","2-nitrophenyl 2-methyl-2-(para-toluenesulfonylamino)propanoate","","- C17 H18 N2 O6 S -","- C17 H18 N2 O6 S -","- C136 H144 N16 O48 S8 -","8","1","SK1532","Crisma, Marco; Toniolo, Claudio","Reactive intermediates in peptide synthesis. <i>ortho</i>-Nitrophenyl <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyrate","Acta Crystallographica Section C","2002","58","4","o215","o217","10.1107/S0108270102002020","","","0.71073","MoKα","","0.102","0.047","","","0.12","0.144","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012652","24.388","0.005","12.47","0.002","18.425","0.004","90","","127.74","0.03","90","","4431","2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquadodecabromohexatantalum(I,II) bis(tetramethylammonium) tetrabromide dihydrate","","- C8 H40 Br16 N2 O8 Ta6 -","- C8 H40 Br16 N2 O8 Ta6 -","- C32 H160 Br64 N8 O32 Ta24 -","4","0.5","SK1533","Vojnović, Marija; Jozić, Dražan; Giester, Gerald; Perić, Berislav; Planinić, Pavica; Brničević, Nevenka","Bis(tetramethylammonium) hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum tetrabromide dihydrate","Acta Crystallographica Section C","2002","58","4","m219","m220","10.1107/S0108270102001841","","","0.71073","MoKα","","0.036","0.028","","","0.066","0.069","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012653","6.4715","0.0001","12.2447","0.0003","13.0098","0.0004","77.2052","0.001","76.6823","0.001","84.3491","0.0016","977.06","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,6-Diaminohexane‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C46 H52 N2 O6 -","- C46 H52 N2 O6 -","- C46 H52 N2 O6 -","1","0.5","SK1534","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl","Acta Crystallographica Section C","2002","58","4","o204","o208","10.1107/S0108270102001488","","","0.71073","MoKα","","0.054","0.041","","","0.101","0.109","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012654","12.1021","0.0004","10.771","0.0004","15.2142","0.0006","90","","90.28","0.0017","90","","1983.17","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Bipyridyl‒1,1,1-tris(4-hydroxyphenyl)ethane (1/2)","","- C50 H44 N2 O6 -","- C50 H44 N2 O6 -","- C100 H88 N4 O12 -","2","0.5","SK1534","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl","Acta Crystallographica Section C","2002","58","4","o204","o208","10.1107/S0108270102001488","","","0.71073","MoKα","","0.063","0.044","","","0.106","0.117","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012655","7.154","0.0003","7.875","0.0002","8.0352","0.0003","73.882","0.0016","85.7214","0.0013","80.9841","0.0015","429.29","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","S-(4-Nitrophenyl)thioglycolic acid","[(4-nitrophenyl)sulfanyl]acetic acid","","- C8 H7 N O4 S -","- C8 H7 N O4 S -","- C16 H14 N2 O8 S2 -","2","1","SK1535","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded molecular ladders in <i>S</i>-(4-nitrophenyl)thioglycolic acid","Acta Crystallographica Section C","2002","58","4","o201","o203","10.1107/S0108270102001786","","","0.71073","MoKα","","0.038","0.032","","","0.086","0.089","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012656","8.2573","0.0002","10.2229","0.0002","17.6996","0.0005","90","","90","","90","","1494.09","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^O:O]","","- C18 H16 O Sn -","- C18 H16 O Sn -","- C72 H64 O4 Sn4 -","4","1","SK1536","Glidewell, Christopher; Low, John N.; Bomfim, João A. S.; Filgueiras, Carlos A. L.; Wardell, James L.","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>] at 120K","Acta Crystallographica Section C","2002","58","4","m199","m201","10.1107/S0108270102001798","","","0.71073","MoKα","","0.029","0.025","","","0.058","0.06","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012657","7.5113","0.0014","7.2791","0.0013","13.898","0.003","90","","90","","90","","759.9","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Aminobenzenesulfonic acid","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C24 H28 N4 O12 S4 -","4","1","SK1537","Low, John N.; Glidewell, Christopher; .","A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid","Acta Crystallographica Section C","2002","58","4","o209","o211","10.1107/S0108270102003025","","","0.71073","MoKα","","0.0262","0.0252","","","0.0688","0.0692","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012658","12.287","0.004","14.352","0.004","24.719","0.003","90","","90","","90","","4359","1.9","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H7 Ir3 Mo O11 -","- C17 H7 Ir3 Mo O11 -","- C136 H56 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.059","0.034","","0.0366","","0.0343","","","1.43","","","1.549","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012659","11.543","0.005","17.198","0.009","25.382","0.006","90","","90","","90","","5039","4","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Ir3 Mo O11 -","- C20 H13 Ir3 Mo O11 -","- C160 H104 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0748","0.0384","","0.0382","","0.0341","","","1.23","","","1.312","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012660","10.922","0.003","10.226","0.002","11.725","0.002","90","","104.64","0.02","90","","1267","0.5","296.2","","296.2","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 Ir3 Mo O11 -","- C21 H15 Ir3 Mo O11 -","- C42 H30 Ir6 Mo2 O22 -","2","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0209","0.0193","","0.0226","","0.0224","","","1.387","","","1.386","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012661","11.5797","0.0005","9.5007","0.0004","14.8683","0.0006","90","","107.899","0.001","90","","1556.57","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaqua(2,2'-bipyridine-κ^2^N,N')(nitrato-κO)manganese(II) nitrate","","- C10 H14 Mn N4 O9 -","- C10 H14 Mn N4 O9 -","- C40 H56 Mn4 N16 O36 -","4","1","TA1358","Zhang, Xiaofeng; Huang, Deguang; Wang, Wenguo; Chen, Changneng; Liu, Qiutian","Triaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)manganese(II) nitrate","Acta Crystallographica Section C","2002","58","4","m268","m269","10.1107/S0108270102003876","","","0.71073","MoKα","","0.061","0.039","","","0.114","0.135","","","","","","0.931","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012662","8.5876","0.0006","11.7161","0.0009","13.8624","0.0011","73.531","0.007","74.745","0.006","69.59","0.006","1232.44","0.17","301","2","","","","","","","","","","5","P -1","-P 1","2","","Trisaquatris(2,6-dinitrophenolato-κ^2^O^1^,O^2^)yttrium(III)","","- C18 H15 N6 O18 Y -","- C18 H15 N6 O18 Y -","- C36 H30 N12 O36 Y2 -","2","1","TA1359","Suh, Hong Ryol; Suh, Hyung Sock; Yun, Sock Sung; Lee, Eun Kwang; Kang, Sung Kwon","Triaquatris(2,6-dinitrophenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)yttrium(III)","Acta Crystallographica Section C","2002","58","4","m202","m203","10.1107/S0108270102002822","","","0.71073","MoKα","","","0.056","","","","0.103","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","200215","2020-10-21","18:00:00",""
"2012663","10.3955","0.0006","9.7127","0.0008","7.1234","0.0004","90","","105.236","0.006","90","","693.96","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Polymeric [ethylenediamine-cobalt(II)] molybdate(VI)","","- C2 H8 Co Mo N2 O4 -","- C2 H8 Co Mo N2 O4 -","- C8 H32 Co4 Mo4 N8 O16 -","4","1","TA1361","Bi-Zhou Lin","Layered (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) molybdate(VI)","Acta Crystallographica Section C","2002","58","4","m261","m263","10.1107/S0108270102003864","","","0.71069","MoKα","","0.0261","0.0232","","","0.0533","0.0543","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012664","22.247","0.008","6.888","0.002","15.211","0.004","90","","93.07","0.01","90","","2327.5","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine- κ^2^N:N'] diperchlorate]","","- C14 H16 Cl4 Cu N4 O12 -","- C14 H16 Cl4 Cu N4 O12 -","- C56 H64 Cl16 Cu4 N16 O48 -","4","0.5","TA1367","Yuan, Ji-Xin; Hu, Mao-Lin; Cheng, Ya-Qian; Chen, Li-Chun; Ng, Seik Weng","<i>catena</i>-Poly[[[diaquabis(5-chloropyridinium-2-olato-κ<i>O</i>)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] diperchlorate]","Acta Crystallographica Section C","2002","58","4","m270","m272","10.1107/S0108270102003852","","","0.71073","MoKα","","0.0598","0.0433","","","0.1105","0.1216","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012665","17.077","0.002","12.747","0.001","14.422","0.001","90","","93.22","0.01","90","","3134.4","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(isoquinoline-1-carboxylato-κ^2^O,N)(1,10-phenanthroline-κ^2^N,N')zinc(II) dimethylformamide sesquisolvate","","- C36.5 H30.5 N5.5 O5.5 Zn -","- C36.5 H30.5 N5.5 O5.5 Zn -","- C146 H122 N22 O22 Zn4 -","4","1","TR1009","Daran, Jean-Claude; Lemoine, Pascale; Viossat, Bernard","Bis(isoquinoline-1-carboxylato-κ^2^<i>O</i>,<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) dimethylformamide sesquisolvate","Acta Crystallographica Section C","2002","58","4","m210","m212","10.1107/S0108270102001932","","","0.71073","MoKα","","0.04","0.033","","","0.079","0.082","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012666","8.898","0.0002","19.3848","0.0005","17.5894","0.0003","90","","92.302","0.001","90","","3031.48","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ^2^N,N']bis(pyridine-κN)lithium(I)","","- C24 H46 Li N4 P Si2 -","- C24 H46 Li N4 P Si2 -","- C96 H184 Li4 N16 P4 Si8 -","4","0.5","TR1011","Schultz, Madeleine; Straub, Bernd; Hofmann, Peter","[<i>P</i>,<i>P</i>-Di-<i>tert</i>-butyl-<i>N</i>-trimethylsilyl-<i>P</i>-(trimethylsilylamino)phosphine imidato-κ^2^<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)lithium(I)","Acta Crystallographica Section C","2002","58","4","m256","m257","10.1107/S0108270102002706","","","0.71073","MoKα","","0.088","0.053","","","0.125","0.144","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012667","6.7599","0.0003","13.3609","0.0008","19.024","0.0005","90","","90","","90","","1718.22","0.14","122","1","122","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate","","- C12 H24 Cl Mn N6 O4 -","- C12 H24 Cl Mn N6 O4 -","- C48 H96 Cl4 Mn4 N24 O16 -","4","1","TR1013","Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni","<i>trans</i>-Bis(cyano-κ<i>C</i>)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)manganese(III) perchlorate, a low-spin manganese(III) complex","Acta Crystallographica Section C","2002","58","4","m204","m206","10.1107/S0108270102001713","","","0.71073","MoKα","","0.072","0.058","","","0.148","0.159","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012668","6.4567","0.0001","12.0271","0.0002","10.7163","0.0002","90","","93.8719","0.0005","90","","830.28","0.02","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dispiro[1,3-dithietane-2,2':4,2''-diadamantane]","","- C20 H28 S2 -","- C20 H28 S2 -","- C40 H56 S4 -","2","0.5","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0364","0.0306","","","0.0785","0.0814","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012669","6.6436","0.0001","12.3102","0.0002","15.6057","0.0002","77.0671","0.0005","86.7263","0.0006","77.1671","0.0007","1212.81","0.03","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]","","- C30 H42 S3 -","- C30 H42 S3 -","- C60 H84 S6 -","2","1","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0478","0.0348","","","0.0867","0.0937","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012670","13.3264","0.0002","11.5166","0.0001","12.9233","0.0001","90","","116.064","0.0005","90","","1781.69","0.03","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dispiro[1,2,4-trithiolane-3,2':5,2''-diadamantane]","","- C20 H28 S3 -","- C20 H28 S3 -","- C80 H112 S12 -","4","1","TR1020","Linden, Anthony; Fu, Changchun; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","The dimer, trimer and 1,2,4-trithiolane of adamantanethione","Acta Crystallographica Section C","2002","58","4","o231","o234","10.1107/S0108270102003190","","","0.71073","MoKα","","0.0495","0.0358","","","0.0896","0.0969","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012671","7.2186","0.0001","5.3462","0.0002","6.2521","0.0003","90","","98.8352","0.0011","90","","238.419","0.015","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0355","0.0308","","","0.0658","0.0676","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012672","7.2079","0.0003","5.3216","0.0001","6.2121","0.0002","90","","98.709","0.002","90","","235.534","0.013","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0297","0.0269","","","0.0611","0.0622","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012673","5.3259","0.0002","6.272","0.0002","14.259","0.0006","90","","90","","90","","476.31","0.03","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0281","0.0238","","","0.0572","0.0589","","","","","","1.273","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012674","5.3014","0.0002","6.2319","0.0002","14.2427","0.0002","90","","90","","90","","470.55","0.02","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0288","0.0277","","","0.0614","0.0617","","","","","","1.288","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012675","6.6738","0.0006","5.4133","0.0005","7.1954","0.0006","90","","90","","90","","259.95","0.04","270","2","270","2","","","","","","","","4","P m m a","-P 2a 2a","51","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu2 H8 O8 P4 -","2","0.25","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0511","0.0331","","","0.0418","0.0452","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012676","9.9","0.002","9.33","0.002","17.01","0.003","90","","90.23","0.02","90","","1571.2","0.5","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]- 1,3,2-dioxaphosphorinane-2-thione","","- C11 H17 N2 O3 P S2 -","- C11 H17 N2 O3 P S2 -","- C44 H68 N8 O12 P4 S8 -","4","1","AV1105","Pop, Mihaela; Borodi, Gheorghe; Goubitz, Kees; Peschar, René; Fraanje, Jan; Fenesan, Ioan; Schenk, Henk","5,5-Dimethyl-2-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yloxy]-1,3,2-dioxaphosphorinane-2-thione","Acta Crystallographica Section C","2002","58","5","o280","o281","10.1107/S0108270102005218","","","1.5418","CuKα","","0.069","0.059","","","0.145","0.154","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012677","18.581","0.0005","12.5906","0.0004","7.4709","0.0002","90","","94.645","0.001","90","","1742.05","0.09","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[1H-indole-3,2'-oxetan]-2(3H)-one","","- C18 H13 Br Cl N O3 -","- C18 H13 Br Cl N O3 -","- C72 H52 Br4 Cl4 N4 O12 -","4","1","AV1106","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","1-Acetyl-3'-(4-bromophenyl)-3'-chlorospiro[3<i>H</i>-indole-3,2'-oxetan]-2(1<i>H</i>)-one","Acta Crystallographica Section C","2002","58","5","o287","o288","10.1107/S0108270102005681","","","0.71073","MoKα","","0.097","0.05","","","0.11","0.12","","","","","","0.812","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012678","14.139","0.001","18.739","0.001","24.473","0.002","90","","90","","90","","6484.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin A","β-hydroxydecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C55 H99 N9 O17 -","- C55 H99 N9 O17 -","- C220 H396 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0356","0.0349","","","0.0913","0.092","","","","","","1.09","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012679","14.245","0.002","18.87","0.003","24.558","0.004","90","","90","","90","","6601.3","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin B","β-hydroxydodecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C57 H103 N9 O17 -","- C56.9992 H102.998 N9 O17 -","- C227.997 H411.99 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0666","0.0504","","","0.123","0.1339","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2012680","10.738","0.002","6.253","0.002","7.875","0.002","98.3","0.03","108.39","0.03","90.68","0.03","495.6","0.2","173","2","173","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","cacodyl cyanide","cyanodimethylarsine","","- C3 H6 As N -","- C3 H6 As N -","- C12 H24 As4 N4 -","4","","BK1648","Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.","Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine","Acta Crystallographica Section C","2002","58","5","m307","m309","10.1107/S0108270102006030","","","0.71073","MoKα","","0.035","0.033","","","0.089","0.09","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012681","11.313","0.007","6.175","0.004","16.701","0.011","90","","109.673","0.009","90","","1098.6","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cyanodimethylstibine","","- C3 H6 N Sb -","- C3 H6 N Sb -","- C24 H48 N8 Sb8 -","8","1","BK1648","Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.","Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine","Acta Crystallographica Section C","2002","58","5","m307","m309","10.1107/S0108270102006030","","","0.71073","MoKα","","0.038","0.038","","","0.097","0.097","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012682","12.799","0.004","10.015","0.003","13.168","0.004","90","","115.96","0.04","90","","1517.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-Cyano-10-methylacridinium hydrogen dinitrate","","- C15 H12 N4 O6 -","- C15 H12 N4 O6 -","- C60 H48 N16 O24 -","4","0.5","BM1487","Huta, Olexyj M.; Patsaj, Ihor O.; Konitz, Antoni; Meszko, Joanna; Błażejowski, Jerzy","9-Cyano-10-methylacridinium hydrogen dinitrate","Acta Crystallographica Section C","2002","58","5","o295","o297","10.1107/S0108270102004912","","","0.71073","MoKα","","0.101","0.047","","","0.141","0.169","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012683","8.177","0.005","8.214","0.003","14.456","0.006","84.69","0.03","81.13","0.04","63.53","0.05","858.5","0.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","trans-(2-Acetylpyridine-κ^2^N,O)dichlorobis(dimethyl sulfoxide-κS)ruthenium(II)","","- C11 H19 Cl2 N O3 Ru S2 -","- C11 H19 Cl2 N O3 Ru S2 -","- C22 H38 Cl4 N2 O6 Ru2 S4 -","2","1","BM1490","Pal, Satyanarayan; Pal, Samudranil","<i>trans</i>-(2-Acetylpyridine-κ^2^<i>N</i>,<i>O</i>)dichlorobis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2002","58","5","m273","m274","10.1107/S0108270102003797","","","0.71073","MoKα","","0.052","0.04","","","0.109","0.118","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012684","10.3075","0.0001","10.9284","0.0001","17.3424","0.0002","87.5556","0.0004","88.8661","0.0004","89.3366","0.0005","1951.25","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(5-tert-butylpyrazole-1κN^2^)tetrachloro-1κCl,2κ^3^Cl-μ-oxo- 1:2κ^2^O-diiron(III)","","- C28 H48 Cl4 Fe2 N8 O -","- C28 H48 Cl4 Fe2 N8 O -","- C56 H96 Cl8 Fe4 N16 O2 -","2","1","BM1491","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","Tetrakis(5-<i>tert</i>-butylpyrazole-1κ<i>N</i>^2^)tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxo-1:2κ^2^<i>O</i>-diiron(III)","Acta Crystallographica Section C","2002","58","5","m290","m291","10.1107/S0108270102004948","","","0.71073","MoKα","","0.038","0.033","","","0.087","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012685","8.096","0.004","21.282","0.011","9.281","0.005","90","","95.28","0.04","90","","1592.3","1.4","178","2","178","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,16-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.051","0.041","","","0.108","0.119","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012686","7.47","0.003","11.287","0.004","9.494","0.003","90","","90.83","0.03","90","","800.4","0.5","178","2","178","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,15-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.045","0.036","","","0.09","0.096","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012687","8.699","0.002","11.79","0.003","7.628","0.002","90","","91.9","0.02","90","","781.9","0.3","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,12-bis(methoxycarbonyl)[2.2]paracyclophane","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","0.5","BM1493","Jones, Peter G.; Hillmer, Jörg; Hopf, Henning","Three isomeric bis(methoxycarbonyl)[2.2]paracyclophanes","Acta Crystallographica Section C","2002","58","5","o301","o304","10.1107/S0108270102005140","","","0.71073","MoKα","","0.062","0.045","","","0.116","0.131","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012688","9.9511","0.0012","7.6156","0.001","13.5616","0.0016","90","","109.104","0.003","90","","971.1","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-bromo-N,N-dimethylanilinium bromide","","- C8 H11 Br2 N -","- C8 H11 Br2 N -","- C32 H44 Br8 N4 -","4","1","BM1494","Jones, Peter G.; Gray, Lilian","Secondary interactions in 4-bromo-<i>N</i>,<i>N</i>-dimethylanilinium bromide","Acta Crystallographica Section C","2002","58","5","o282","o283","10.1107/S0108270102004882","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.043","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012689","15.6621","0.0009","8.9873","0.0004","31.196","0.002","90","","100.761","0.007","90","","4313.9","0.4","293","","293","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Te Tl2 -","- Te Tl2 -","- Te44 Tl88 -","44","5.5","BR1351","Radovan Černý; Jean-Marc Joubert; Yaroslav Filinchuk; Yves Feutelais","Tl~2~Te and its relationship with Tl~5~Te~3~","Acta Crystallographica Section C","2002","58","5","i63","i65","10.1107/S0108270102005085","","","0.71073","MoKα","","","0.107","","0.188","0.18","","","","","","","2.372","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012690","5.3145","0.0002","10.6234","0.0005","14.7782","0.0007","90","","90","","90","","834.35","0.06","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","γ sodium gallate","","- Ga Na O2 -","- Ga Na O2 -","- Ga16 Na16 O32 -","16","2","BR1357","Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón","γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction","Acta Crystallographica Section C","2002","58","5","i69","i70","10.1107/S0108270102003049","","","1.54056","CuKα~1~","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012691","11.865","0.004","12.117","0.003","6.467","0.002","90","","113.82","0.03","90","","850.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver trinickel phosphate bis(hydrogenphosphate)","","- Ag H2 Ni3 O12 P3 -","- Ag H2 Ni3 O12 P3 -","- Ag4 H8 Ni12 O48 P12 -","4","0.5","BR1359","Ben Smail, Ridha; Jouini, Tahar","AgNi~3~(PO~4~)(HPO~4~)~2~: an alluaudite-like structure","Acta Crystallographica Section C","2002","58","5","i61","i62","10.1107/S0108270102003153","","","0.71069","MoKα","","0.02","0.02","","","0.051","0.051","","","","","","1.206","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012692","12.773","0.003","7.529","0.002","7.108","0.002","90","","104.37","0.02","90","","662.2","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Rubidium diniobium tris(disulfide) tetrathiophosphate","","- Nb2 P Rb S10 -","- Nb2 P Rb S10 -","- Nb4 P2 Rb2 S20 -","2","1","BR1362","Changkeun Kim; Hoseop Yun","A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~)","Acta Crystallographica Section C","2002","58","5","i53","i54","10.1107/S0108270102004316","","","0.71073","MoKα","","0.039","0.039","","","0.114","0.114","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012693","7.9481","0.0002","11.3472","0.0003","6.0425","0.0003","90","","90","","90","","544.97","0.03","292","1","291","","10000","","","","","","","5","P n a 21","P 2c -2n","33","","bis(ammonium) fluorophosphate","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","BR1363","Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl","Bis(ammonium) fluorophosphate at room temperature","Acta Crystallographica Section C","2002","58","5","i66","i68","10.1107/S010827010200553X","","","0.71073","MoKα","","0.023","0.022","","","0.031","0.031","","","","1.79","1.79","1.76","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012694","7.837","0.002","24.074","0.009","9.543","0.002","90","","102.87","0.02","90","","1755.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylic acid ethyl ester","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","DE1181","Damodharan, Lakshminarasimhan; Shamaladevi, Nagarajarao; Pattabhi, Vasantha; Behera, Manoranjan; Kotha, Sambasivarao","Ethyl 6-acetylamino-6,7-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>c</i>]cycloheptene-6-carboxylate","Acta Crystallographica Section C","2002","58","5","o266","o267","10.1107/S0108270102004687","","","1.5418","CuKα","","0.124","0.08","","","0.222","0.262","","","","","","1.048","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012695","22.4188","0.0001","22.4188","0.0001","11.9764","0.0001","90","","90","","90","","6019.37","0.06","279","2","279","2","","","","","","","","6","I -4","I -4","82","","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)","","- C26 H21 Mn O11 S3 Sn -","- C26 H21 Mn O11 S3 Sn -","- C208 H168 Mn8 O88 S24 Sn8 -","8","1","FG1638","Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure","Acta Crystallographica Section C","2002","58","5","m297","m299","10.1107/S0108270102004377","","","1.54178","CuKα","","0.035","0.033","","","0.081","0.082","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012696","10.0225","0.0014","14.862","0.002","10.0873","0.0014","90","","110.758","0.011","90","","1405","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-3-oxo-11α(H)-eudesm-4-en-12-oic acid","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2- naphthyl)propionic acid","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","FR1365","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-2-(1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-7-oxo-2-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid keto acid","Acta Crystallographica Section C","2002","58","5","o251","o253","10.1107/S0108270102004365","","","0.71073","MoKα","","0.061","0.042","","","0.096","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012697","8.6648","0.001","9.963","0.0016","11.1996","0.0011","91.083","0.009","109.199","0.005","109.571","0.01","851.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate","4-Amino-2'-(di-2-pyridylmethylene)benzohydrazide hydrate","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C36 H34 N10 O4 -","2","1","GD1194","Bakir, Mohammed; Orville Green","Di-2-pyridyl ketone <i>p</i>-aminobenzoylhydrazone hydrate","Acta Crystallographica Section C","2002","58","5","o263","o265","10.1107/S0108270102004511","","","0.71073","MoKα","","0.172","0.05","","","0.094","0.124","","","","","","0.947","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012698","8.941","0.002","9.732","0.002","10.9449","0.001","110.058","0.014","93.437","0.013","109.012","0.019","829.8","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","trans-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κN^3^]bis(pyridine- κN)palladium(II)","","- C34 H26 F2 N10 O4 Pd -","- C34 H26 F2 N10 O4 Pd -","- C34 H26 F2 N10 O4 Pd -","1","0.5","GD1195","Hörner, Manfredo; Visentin, Lorenzo do C.; Dahmer, Marisa; Bordinhao, Jairo","<i>trans</i>-Bis[3-(2-fluorophenyl)-1-(4-nitrophenyl)triazenido-κ<i>N</i>^3^]bis(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","5","m286","m287","10.1107/S0108270102004602","","","0.71073","MoKα","","","0.045","","","","0.105","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012699","8.1392","0.0004","8.4351","0.0004","11.3852","0.0006","77.951","0.003","81.192","0.002","70.681","0.002","718.39","0.06","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","3-methyl-1,4-diphenyl-1H-pyrazolo-(3,4-b)pyridine","","- C19 H15 N3 -","- C19 H15 N3 -","- C38 H30 N6 -","2","1","GD1203","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","C—H···π and π‒π interactions in the supramolecular structure of 3-methyl-1,4-diphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2002","58","5","o298","o300","10.1107/S0108270102006340","","","0.71073","MoKα","","0.1325","0.0525","","","0.0976","0.1229","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012700","9.0072","0.0007","9.7391","0.0006","15.5818","0.0011","75.407","0.003","85.574","0.003","81.367","0.004","1306.68","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","penta-μ-cyano-tricyanotris(ethylenediamine)dicopper(II)tungsten(IV) tetrahydrate","","- C14 H32 Cu2 N14 O4 W -","- C14 H24 Cu2 N14 O4 W -","- C28 H48 Cu4 N28 O8 W2 -","2","1","GG1099","Li, Dong-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu; Tang, Wen-Xia","A three-dimensional Cu^II^‒W^IV^ bimetallic porous assembly containing a zigzag ladder structure","Acta Crystallographica Section C","2002","58","5","m280","m282","10.1107/S0108270102004298","","","0.71073","MoKα","","0.029","0.026","","","0.06","0.061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012701","9.818","0.002","9.402","0.002","12.571","0.004","90","","93.8","0.02","90","","1157.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N',N'',N'''-Tetraethylbenzene-1,4-dicarboxamidinium bis(tetrazolate)","","- C18 H30 N12 -","- C18 H30 N12 -","- C36 H60 N24 -","2","0.5","GG1105","Kraft, Arno; Peters, Lars; Fröhlich, Roland","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetraethylterephthalamidinium bis(tetrazolate)","Acta Crystallographica Section C","2002","58","5","o272","o274","10.1107/S0108270102004730","","","1.54178","CuKα","","0.059","0.047","","","0.128","0.137","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012702","9.585","0.002","15.51","0.002","15.865","0.002","90","","114.198","0.011","90","","2151.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6‒Bis((dimethylamino‒κN)methyl)phenyl‒κC]iodopalladium(II) bis(diiodine)","","- C12 H19 I5 N2 Pd -","- C12 H19 I5 N2 Pd -","- C48 H76 I20 N8 Pd4 -","4","1","GG1107","Mills, Allison M.; Beek, Johannus A. M. van; Koten, Gerard van; Spek, Anthony L.","{2,6-Bis[(dimethylamino-κ<i>N</i>)methyl]phenyl-κ<i>C</i>}iodopalladium(II) bis(diiodine)","Acta Crystallographica Section C","2002","58","5","m304","m306","10.1107/S0108270102005620","","","0.71073","MoKα","","0.0476","0.0397","","","0.0999","0.1036","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012703","8.5292","0.0012","10.7291","0.0016","11.0469","0.0016","109.417","0.002","91.555","0.003","110.945","0.003","878.1","0.2","120","1","120","1","","","","","","","","3","P -1","-P 1","2","","2-Phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C23 H21 N3 -","- C23 H21 N3 -","- C46 H42 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.06","0.052","","","0.141","0.146","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012704","8.511","0.0002","10.7015","0.0003","11.0357","0.0003","110.036","0.002","92.1613","0.0015","110.328","0.001","871.37","0.04","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5-(4-Bromophenyl)-2-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C22 H18 Br N3 -","- C22 H18 Br N3 -","- C44 H36 Br2 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.046","0.037","","","0.087","0.091","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012705","21.2115","0.0003","11.1385","0.0002","17.5948","0.0004","90","","122.427","0.001","90","","3508.84","0.12","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-5-phenyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline","","- C22 H18 Cl N3 -","- C22 H18 Cl N3 -","- C176 H144 Cl8 N24 -","8","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.059","0.047","","","0.121","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012706","5.556","0.0001","12.2526","0.0002","14.0827","0.0003","77.923","0.0009","83.006","0.0008","87.814","0.001","930.41","0.03","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","5-(4-Bromophenyl)-2-(4-chlorophenyl)-1,5,6,10b-tetrahydropyrazolo[1,5-c] quinazoline","","- C22 H17 Br Cl N3 -","- C22 H17 Br Cl N3 -","- C44 H34 Br2 Cl2 N6 -","2","1","GG1111","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio","The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines","Acta Crystallographica Section C","2002","58","5","o305","o310","10.1107/S0108270102006200","","","0.71073","MoKα","","0.042","0.034","","","0.076","0.08","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012707","6.1072","0.0004","26.0105","0.0014","7.138","0.0005","90","","101.416","0.009","90","","1111.45","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bipyridinium hexafluorophosphate","2,2'-Bipyridinium hexafluorophosphate","","- C10 H9 F6 N2 P -","- C10 H9 F6 N2 P -","- C40 H36 F24 N8 P4 -","4","1","JZ1500","Kraus, Florian; Breu, Josef","Arene‒arene stacking in the revised structure of 2,2'-bipyridinium hexafluorophosphate","Acta Crystallographica Section C","2002","58","5","o254","o256","10.1107/S0108270102003955","","","0.71073","MoKα","","0.035","0.029","","","0.087","0.091","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012708","6.7262","0.0006","6.5427","0.0004","19.8","0.002","90","","93.444","0.004","90","","869.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Polymeric aqua(nitrilotriacetato)erbium(III)","","- C6 H8 Er N O7 -","- C6 H8 Er N O7 -","- C24 H32 Er4 N4 O28 -","4","1","LN1137","Wu, Chuan-De; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun","Polymeric aqua(nitrilotriacetato)erbium(III)","Acta Crystallographica Section C","2002","58","5","m283","m285","10.1107/S010827010200464X","","","0.71073","MoKα","","0.038","0.032","","","0.067","0.072","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012709","9.2688","0.0017","10.455","0.0018","11.349","0.002","112.462","0.003","94.924","0.002","113.908","0.002","890.6","0.3","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","catena-poly-[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-benzene- 1,4-dicarboxylato-κ^2^O^1^,O^4^]","","- C20 H14 Co N2 O5 -","- C20 H14 Co N2 O5 -","- C40 H28 Co2 N4 O10 -","2","1","NA1551","Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O","Acta Crystallographica Section C","2002","58","5","m275","m279","10.1107/S0108270102004341","","","0.71073","MoKα","","0.077","0.037","","","0.054","0.06","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012710","9.009","0.004","9.289","0.003","11.171","0.006","99.11","0.04","106.64","0.04","92.39","0.03","880.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly-[[[(di-2-pyridyl-κN-amine)copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O^1^,O^1'^,O^4^,O^4'^] hydrate]","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C36 H30 Cu2 N6 O10 -","2","1","NA1551","Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O","Acta Crystallographica Section C","2002","58","5","m275","m279","10.1107/S0108270102004341","","","0.71069","MoKα","","0.062","0.039","","","0.094","0.1","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012711","12.8969","0.0003","8.5064","0.0001","13.0472","0.0003","90","","109.803","0.001","90","","1346.71","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[1-(Phenylsulfonyl)ethyl]benzoic acid","","- C15 H14 O4 S -","- C15 H14 O4 S -","- C60 H56 O16 S4 -","4","1","NA1557","Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim","2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid","Acta Crystallographica Section C","2002","58","5","o257","o259","10.1107/S0108270102004389","","","0.71073","MoKα","","0.069","0.049","","","0.117","0.124","","","","","","0.938","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012712","7.4805","0.001","7.5125","0.0009","14.4853","0.0018","94.634","0.009","91.807","0.001","116.02","0.008","727.09","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[1-(Phenylsulfonyl)propyl]benzoic acid","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C32 H32 O8 S2 -","2","1","NA1557","Sethu Sankar, K.; Velmurugan, D.; Thirumamagal, B. T. S.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Moon, Jib-Kim","2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid","Acta Crystallographica Section C","2002","58","5","o257","o259","10.1107/S0108270102004389","","","0.71073","MoKα","","0.056","0.04","","","0.098","0.107","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012713","15.0582","0.0003","11.3915","0.0003","15.8945","0.0003","90","","109.595","0.001","90","","2568.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol- 3-yl}acrylate","","- C28 H27 N3 O4 S -","- C28 H27 N3 O4 S -","- C112 H108 N12 O16 S4 -","4","1","NA1558","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.","Ethyl β-{2-[4-(dimethylamino)phenyliminomethyl]-1-(phenylsulfonyl)indol-3-yl}acrylate","Acta Crystallographica Section C","2002","58","5","o277","o279","10.1107/S0108270102005152","","","0.71073","MoKα","","0.163","0.068","","","0.152","0.187","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012714","9.094","0.002","12.575","0.002","8.352","0.001","93.03","0.03","115.84","0.03","93.97","0.03","853.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tos-Aib-OSu","N^α^-para-toluenesulphonyl-α-aminoisobutyric acid N-oxysuccinimido ester","","- C15 H18 N2 O6 S -","- C15 H18 N2 O6 S -","- C30 H36 N4 O12 S2 -","2","1","NA1559","Crisma, Marco; Toniolo, Claudio","Reactive intermediates in peptide synthesis: the <i>N</i>-oxysuccinimido ester of <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyric acid","Acta Crystallographica Section C","2002","58","5","o275","o276","10.1107/S0108270102004717","","","0.71073","MoKα","","0.0829","0.0435","","","0.1164","0.1416","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012715","4.5819","0.0006","10.0867","0.0013","18.087","0.002","90","","90","","90","","835.91","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 O4 P -","- C7 H9 O4 P -","- C28 H36 O16 P4 -","4","1","NA1560","Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Lippolis, Vito; Schröder, Martin; Wilson, Claire","4-Methoxyphenylphosphonic acid: reactivity of Lawesson's reagent","Acta Crystallographica Section C","2002","58","5","o260","o262","10.1107/S0108270102004547","","","0.71073","MoKα","","0.0616","0.0416","","","0.0881","0.0942","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012716","15.6152","0.001","9.1842","0.0006","17.792","0.0011","90","","90.83","0.002","90","","2551.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C96 H96 N32 O16 S8 -","8","2","NA1564","Low, John N.; Quesada, Antonio; Marchal, Antonio; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into π-stacked chains","Acta Crystallographica Section C","2002","58","5","o284","o286","10.1107/S0108270102005735","","","0.71073","MoKα","","0.0507","0.0365","","","0.0962","0.1011","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012717","13.423","0.003","13.561","0.003","19.156","0.004","90","","106.83","0.03","90","","3337.6","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(η^3^-Allyl-2κ^3^C)(chloro-1κCl)(μ-N,N'-diethyldithioxamidato- 1:2κ^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1κP]palladium(II)platinum(II) chloroform solvate","","- C27 H30 Cl4 N3 P Pd Pt S2 -","- C27 H30 Cl4 N3 P Pd Pt S2 -","- C108 H120 Cl16 N12 P4 Pd4 Pt4 S8 -","4","1","NA1566","Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe","(η^3^-Allyl-2κ^3^<i>C</i>)(chloro-1κ<i>Cl</i>)(μ-<i>N</i>,<i>N</i>'-diethyldithioxamidato-1:2κ^4^<i>S</i>,<i>S</i>':<i>N</i>,<i>N</i>')[diphenyl(2-pyridyl)phosphine-1κ<i>P</i>]palladium(II)platinum(II) chloroform solvate","Acta Crystallographica Section C","2002","58","5","m316","m318","10.1107/S0108270102006303","","","0.71073","MoKα","","0.088","0.041","","","0.082","0.089","","","","","","0.801","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012718","14.052","0.006","10.192","0.005","14.047","0.006","90","","90","","90","","2011.8","1.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichlorobis(2-methylquinoline N-oxide-κO)zinc(II)","","- C20 H18 Cl2 N2 O2 Zn -","- C20 H18 Cl2 N2 O2 Zn -","- C80 H72 Cl8 N8 O8 Zn4 -","4","0.5","SK1538","Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik","Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) from powder data","Acta Crystallographica Section C","2002","58","5","m300","m301","10.1107/S0108270102005292","","","1.54056","CuKα~1~","","","","","","","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012719","13.389","0.003","7.146","0.001","19.473","0.004","90","","108.57","0.03","90","","1766.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly-[[bis(cis-1-tert-butyltetrazole-κN^4^)copper(II)]-di-μ-chloro]","","- C10 H20 Cl2 Cu N8 -","- C10 H20 Cl2 Cu N8 -","- C40 H80 Cl8 Cu4 N32 -","4","1","SK1540","Ivashkevich, Dmitry O.; Degtyarik, Mikhail M.; Gaponik, Pavel N.; Lyakhov, Alexander S.","<i>catena</i>-Poly[[bis(<i>cis</i>-1-<i>tert</i>-butyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro]","Acta Crystallographica Section C","2002","58","5","m288","m289","10.1107/S0108270102004754","","","0.71069","MoKα","","0.058","0.043","","","0.117","0.127","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012720","10.2753","0.001","11.1003","0.001","15.6822","0.0015","70.406","0.01","82.483","0.01","74.161","0.01","1619.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquatetrakis(trimethylphosphine oxide-κO)cerium(III) trichloride trihydrate","","- C12 H50 Ce Cl3 O11 P4 -","- C12 H50 Ce Cl3 O11 P4 -","- C24 H100 Ce2 Cl6 O22 P8 -","2","1","SK1541","Hill, Nicholas J.; Leung, Lai-Shi; Levason, William; Webster, Michael","Tetraaquatetrakis(trimethylphosphine oxide-κ<i>O</i>)cerium(III) trichloride trihydrate","Acta Crystallographica Section C","2002","58","5","m295","m296","10.1107/S0108270102004766","","","0.71073","MoKα","","0.032","0.027","","","0.061","0.064","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012721","12.3971","0.0005","8.3608","0.0005","14.5237","0.0007","90","","106.585","0.003","90","","1442.75","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.087","0.049","","","0.115","0.132","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012722","5.8083","0.0006","12.3104","0.0013","15.726","0.0016","68.549","0.002","85.978","0.002","82.737","0.002","1037.81","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylamino-4,6-bis(benzyloxy)pyrimidine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.056","0.041","","","0.105","0.111","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012723","12.5654","0.0008","13.2735","0.0008","14.2279","0.0009","90","","93.09","0.002","90","","2369.6","0.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-bis(N-pyrrolidino)pyrimidine","","- C12 H19 N5 -","- C12 H19 N5 -","- C96 H152 N40 -","8","1","SK1546","Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer","Acta Crystallographica Section C","2002","58","5","o289","o294","10.1107/S0108270102005632","","","0.71073","MoKα","","0.048","0.041","","","0.113","0.117","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012724","13.2963","0.0002","13.2963","0.0002","20.6366","0.0005","90","","90","","90","","3648.38","0.12","150","1","150","1","","","","","","","","5","P 41","P 4w","76","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.084","0.046","","","0.094","0.108","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012725","13.3288","0.0002","13.3288","0.0002","20.5834","0.0007","90","","90","","90","","3656.78","0.15","150","1","150","1","","","","","","","","5","P 43","P 4cw","78","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.113","0.049","","","0.081","0.098","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012726","12.9408","0.0007","15.5347","0.0008","17.5303","0.0009","90","","92.092","0.001","90","","3521.8","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N- dichloro-1κCl,2κCl-dirhenium(III)(Re-Re) dichloromethane solvate","","- C29 H18 Cl4 N4 Re2 S8 -","- C29 H18 Cl4 N4 Re2 S8 -","- C116 H72 Cl16 N16 Re8 S32 -","4","1","TA1364","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^<i>N</i>:<i>S</i>^2^;1:2κ^4^<i>S</i>^2^:<i>N</i>-dichloro-1κ<i>Cl</i>,2κ<i>Cl</i>-dirhenium(III)(<i>Re</i>—<i>Re</i>) dichloromethane solvate: a bridged complex with a long Re—Re quadruple bond","Acta Crystallographica Section C","2002","58","5","m292","m294","10.1107/S0108270102004249","","","0.71073","MoKα","","0.038","0.025","","","0.047","0.051","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012727","15.5374","0.0007","20.7751","0.0009","22.3924","0.001","90","","90","","90","","7228.1","0.6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)","","- C30 H45 Cl5 P3 Re2 -","- C30 H45 Cl5 P3 Re2 -","- C240 H360 Cl40 P24 Re16 -","8","1","TA1365","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)","Acta Crystallographica Section C","2002","58","5","m302","m303","10.1107/S0108270102005644","","","0.71073","MoKα","","0.0586","0.031","","","0.0441","0.0484","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012728","11.732","0.004","18.415","0.006","13.703","0.005","90","","92.842","0.005","90","","2956.8","1.8","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,2'-methyliminodiethanolato)-1κ^3^O,N,O';3κ^3^O,N,O'-di-μ~3~-propane- 1,3-diolato-1:2:3-κ^4^O:O,O':O'-μ-propane-1,3-diolato-1:3κ^2^O:O'-propane- 1,3-diolato-2κ^2^O,O'-trititanium(IV)","","- C22 H46 N2 O12 Ti3 -","- C22 H46 N2 O12 Ti3 -","- C88 H184 N8 O48 Ti12 -","4","1","TA1372","Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana","Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~","Acta Crystallographica Section C","2002","58","5","m310","m312","10.1107/S0108270102006273","","","0.71073","MoKα","","0.063","0.044","","","0.108","0.121","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012729","15.684","0.004","8.64","0.002","14.916","0.004","90","","104.528","0.005","90","","1956.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Dichlorobis(N-propylimidazolidine-S)cobalt(II)","","- C12 H24 Cl2 Co N4 S2 -","- C12 H24 Cl2 Co N4 S2 -","- C48 H96 Cl8 Co4 N16 S8 -","4","1","TR1016","Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Piso, José; García-Vázquez, José Arturo","Dichlorobis(1-propylimidazolidine-2-thione-κ<i>S</i>)cobalt(II)","Acta Crystallographica Section C","2002","58","5","m319","m322","10.1107/S0108270102006285","","","0.71073","MoKα","","0.1751","0.0485","","","0.1304","0.1733","","","","","","0.857","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012730","14.596","0.001","14.753","0.001","28.531","0.004","90","","90","","90","","6143.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N O7 Si -","- C32 H39 N O7 Si -","- C256 H312 N8 O56 Si8 -","8","1","BK1630","Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.","2-(3-<i>tert</i>-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole","Acta Crystallographica Section C","2002","58","6","o330","o332","10.1107/S0108270102003669","","","0.71073","MoKα","","0.0877","0.0483","","","0.0968","0.1273","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012731","6.58","0.001","9.186","0.001","4.8966","0.0007","91.52","0.01","103.52","0.01","74.78","0.01","277.48","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(±)-tartaric acid","(2R/S,3R/S)-dihydroxy-1,4-butanedioic acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","BK1636","Luner, Paul E.; Patel, Aditya D.; Swenson, Dale C.","(±)-Tartaric acid","Acta Crystallographica Section C","2002","58","6","o333","o335","10.1107/S0108270102006650","","","0.71073","MoKα","","0.0394","0.0331","","","0.0953","0.1012","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012732","7.18","0.004","8.43","0.005","12.688","0.01","90","","101.46","0.08","90","","752.7","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-O-β-D-glucopyranosyl-α-L-rhamnopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C26 H48 O20 -","2","1","BM1489","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 2-<i>O</i>-β-<small>D</small>-glucopyranosyl-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2002","58","6","o328","o329","10.1107/S0108270102005905","","","0.71073","MoKα","","0.049","0.037","","","0.085","0.087","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012733","10.1284","0.0008","11.8155","0.001","12.5299","0.001","110.852","0.002","93.855","0.002","96.043","0.002","1384.6","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide","","- C25 H23 I3 O2 P2 -","- C25 H23 I3 O2 P2 -","- C50 H46 I6 O4 P4 -","2","1","BM1492","Boraei, Ahmed A.; du Mont, Wolf-W.; Ruthe, Frank; Jones, Peter G.","Polymeric methylenebis(diphenylphosphine oxide) hydrogen triiodide","Acta Crystallographica Section C","2002","58","6","o318","o320","10.1107/S0108270102005930","","","0.71073","MoKα","","0.044","0.035","","","0.089","0.093","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012734","8.609","0.002","14.232","0.003","14.752","0.003","90","","97.5","0.02","90","","1792","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II)","","- C21 H26 Ru -","- C21 H26 Ru -","- C84 H104 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.037","0.024","","","0.052","0.056","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012735","11.648","0.002","14.757","0.003","13.798","0.003","90","","103.134","0.015","90","","2309.7","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^5^-[2](4,7)indeno[2]paracyclophanyl)(η^5^-pentamethylcyclopentadienyl) ruthenium(II)","","- C29 H32 Ru -","- C29 H32 Ru -","- C116 H128 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.029","0.021","","","0.055","0.058","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012736","12.62","0.003","17.026","0.004","13.005","0.003","90","","95.92","0.02","90","","2779.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(η^5^-[2](4,7)indeno[2]paracyclophanyl)ruthenium(II)","","- C38 H34 Ru -","- C38 H34 Ru -","- C152 H136 Ru4 -","4","1","BM1496","Jones, Peter G.; Hartig, Thorsten; Hopf, Henning","Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)","Acta Crystallographica Section C","2002","58","6","m347","m350","10.1107/S0108270102008090","","","0.71073","MoKα","","0.039","0.029","","","0.073","0.079","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012737","7.147","0.008","12.283","0.014","14.016","0.016","90","","90.49","0.07","90","","1230","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lithium Barium Diphosphate","Dilithium barium diphosphate","","- Ba Li2 O7 P2 -","- Ba Li2 O7 P2 -","- Ba8 Li16 O56 P16 -","8","1","BR1355","Dridi, Nezha; Arbib, E.; Boukhari, Ali; Holt, Elizabeth M.","Dilithium barium diphosphate","Acta Crystallographica Section C","2002","58","6","i74","i75","10.1107/S0108270102006741","","","0.71073","MoKα","","0.071","0.062","","","0.185","0.189","","","","","","1.489","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012738","5.345","0.001","26.62","0.004","6.559","0.001","90","","107.28","0.01","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Sodium hexamanganese bis(diphosphate) triphosphate","Sodium hexamanganese bis(diphosphate) triphosphate","","- Mn6 Na O24 P7 -","- Mn6 Na O24 P7 -","- Mn12 Na2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.09","0.05","","","0.076","0.088","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012739","5.479","0.001","27.112","0.006","6.769","0.001","90","","107.11","0.02","90","","961","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Potassium hexacadmium bis(diphosphate) triphosphate","Potassium hexacadmium bis(diphosphate) triphosphate","","- Cd6 K O24 P7 -","- Cd6 K O24 P7 -","- Cd12 K2 O48 P14 -","2","0.5","BR1364","Bennazha, J.; El-Maadi, A.; Boukhari, Ali; Holt, Elizabeth M.","NaMn~6~(P~2~O~7~)~2~(P~3~O~10~) and KCd~6~(P~2~O~7~)~2~(P~3~O~10~)","Acta Crystallographica Section C","2002","58","6","i76","i78","10.1107/S0108270102006753","","","0.71073","MoKα","","0.048","0.04","","","0.117","0.124","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012740","5.2465","0.0006","5.2465","0.0006","23.702","0.003","90","","90","","120","","565.01","0.12","295","","295","","","","","","","","","4","R -3 m :H","-R 3 2""","166","hydrocerussite","lead carbonate hydroxide","","- C2 H2 O8 Pb3 -","- C2 O7.9998 Pb2.99996 -","- C6 O23.9994 Pb8.99988 -","3","0.0833333","BR1365","Martinetto, Pauline; Anne, Michel; Dooryhée, Eric; Walter, Philippe; Tsoucaris, Georges","Synthetic hydrocerussite, 2PbCO~3~·Pb(OH)~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2002","58","6","i82","i84","10.1107/S0108270102006844","","","0.35324","synchrotron","","","","","","","","","","1.66","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012741","15.4727","0.0012","7.782","0.0009","6.5009","0.0007","90","","90","","90","","782.76","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium zinc hydrogen pyrophosphate dihydrate","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H20 K4 O36 P8 Zn4 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0278","0.0252","","","0.0645","0.0661","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012742","15.7186","0.0005","7.8706","0.0005","6.5297","0.0005","90","","90","","90","","807.82","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","potassium manganese(II) hydrogenpyrophosphate dihydrate","","- H5 K Mn O9 P2 -","- H5 K Mn O9 P2 -","- H20 K4 Mn4 O36 P8 -","4","0.5","BR1366","Assaaoudi, Hassane; Ennaciri, Abdelaziz; Harcharras, Mohamed; El Bali, Brahim; Reinauer, Felix; Glaum, Robert; Rulmont, André; Spirlet, Marie-Rose","KZn(HP~2~O~7~)·2H~2~O and KMn(HP~2~O~7~)·2H~2~O: acid pyrophosphate metallates(II) with layer structures","Acta Crystallographica Section C","2002","58","6","i79","i81","10.1107/S0108270102007394","","","0.71073","MoKα","","0.0316","0.0241","","","0.0586","0.0613","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012743","9.3025","0.0008","9.3025","0.0008","25.9412","0.0018","90","","90","","120","","1944.1","0.3","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Dipotassium strontium hexaniobium octadecachloride","","- Cl18 K2 Nb6 Sr -","- Cl18 K2 Nb6 Sr -","- Cl54 K6 Nb18 Sr3 -","3","0.166667","BR1367","Duraisamy, Thirumalai; Lachgar, Abdessadek","K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride","Acta Crystallographica Section C","2002","58","6","i85","i86","10.1107/S010827010200687X","","","0.71073","MoKα","","0.0425","0.0307","","","0.0672","0.0725","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012744","9.729","0.002","9.823","0.002","19.392","0.004","81.92","0.03","80.28","0.03","80.34","0.03","1788.7","0.7","200","3","200","3","","","","","","","","5","P -1","-P 1","2","","Hexaaquadodeca-μ-bromo-octahedro-hexatantalum bromide chloride octahydrate","","- Br12.4 Cl1.6 H28 O14 Ta6 -","- Br12.397 Cl1.603 O14 Ta6 -","- Br24.794 Cl3.206 O28 Ta12 -","2","1","BR1370","Vojnović, Marija; Perić, Berislav; Planinić, Pavica; Giester, Gerald; Brničević, Nevenka","Hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum bromide chloride octahydrate","Acta Crystallographica Section C","2002","58","6","i71","i73","10.1107/S0108270102006856","","","0.71073","MoKa","","0.0459","0.0305","","","0.0589","0.0626","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012745","14.829","0.003","16.1465","0.0019","19.282","0.003","90","","91.27","0.02","90","","4615.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Polymeric bis(N,N-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)","","- C24 H36 Cd2 Hg2 N12 O4 S8 -","- C24 H36 Cd2 Hg2 N12 O4 S8 -","- C96 H144 Cd8 Hg8 N48 O16 S32 -","4","1","DA1215","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Lu, Guang Tian","Polymeric bis(<i>N</i>,<i>N</i>-dimethylacetamide)tetrakis(thiocyanato)cadmium(II)mercury(II)","Acta Crystallographica Section C","2002","58","6","m341","m343","10.1107/S0108270102005942","","","0.71073","MoKα","","0.1225","0.0536","","","0.099","0.1211","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012746","9.4742","0.0008","19.287","0.001","33.032","0.002","90","","90","","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine- 4-one","","- C15 H16 N4 O S -","- C15 H16 N4 O S -","- C240 H256 N64 O16 S16 -","16","2","DE1182","Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R.","A dimeric layered structure of a 4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine compound","Acta Crystallographica Section C","2002","58","6","o325","o327","10.1107/S0108270102006649","","","1.5418","CuKα","","0.064","0.049","","","0.169","0.19","","","","","","1.523","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012747","9.1442","0.0018","12.448","0.003","14.518","0.003","90.19","0.03","92.4","0.03","91.1","0.03","1650.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","triaqua-1κ^3^O-μ-cyano-1:2κ^2^N:C-pentacyano-2κ^5^C-tetrakis -(2-pyrrolidone-1κO)chromium(III)dysprosium(III) dihydrate","","- C22 H38 Cr Dy N10 O9 -","- C22 H38 Cr Dy N10 O9 -","- C44 H76 Cr2 Dy2 N20 O18 -","2","1","DE1183","Kou, Hui-Zhong; Gao, Song; Wang, Ru-Ji","A cyano-bridged dinuclear 4<i>f</i>‒3<i>d</i> array","Acta Crystallographica Section C","2002","58","6","m325","m326","10.1107/S0108270102005966","","","0.71073","MoKα","","0.0318","0.0291","","","0.0726","0.0736","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012748","10.4684","0.0004","10.3551","0.0003","9.4337","0.0003","90","","96.939","0.002","90","","1015.14","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(pyridine-κN)bis(3,3,3-trifluoropropyl-κC^1^)tin(IV)","","- C16 H18 Cl2 F6 N2 Sn -","- C16 H18 Cl2 F6 N2 Sn -","- C32 H36 Cl4 F12 N4 Sn2 -","2","0.5","DN1011","Allouchi, Hassan; Cotrait, Michel; Jousseaume, Bernard; Rascle, Marie-Claude; Toupance, Thierry","Dichlorobis(pyridine-κ<i>N</i>)bis(3,3,3-trifluoropropyl-κ<i>C</i>^1^)tin(IV)","Acta Crystallographica Section C","2002","58","6","m363","m364","10.1107/S0108270102007874","","","0.71069","MoKα","","0.071","0.039","","","0.078","0.085","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012749","29.982","0.005","14.154","0.003","27.612","0.002","90","","137.36","0.03","90","","7937","5","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","13,21,35,43-tetramethyl-3,6,9,17,25,28,31,39,46,49- decaoxaheptacyclo[21.21.3^1,23^.3^11,33^.0^2,41^.0^10,15^.0^19,24^.0^32,37^] pentaconta-1,10,12,14,19,21,23,32,34,36,41,43-dodecaene","","- C44 H52 O10 -","- C44 H52 O10 -","- C352 H416 O80 -","8","1","FG1641","Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano","1,3-Bridged <i>p</i>-methyloctahomotetraoxacalix[4]arene‒bis-crown-3","Acta Crystallographica Section C","2002","58","6","o345","o346","10.1107/S0108270102006868","","","0.71069","MoKα","","0.052","0.052","","0.067","0.067","0.067","","","0.853","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012750","9.5705","0.0007","11.7377","0.0009","12.4726","0.0011","97.011","0.003","107.571","0.004","102.297","0.006","1278.71","0.18","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Tri-n-butyltin-N-(1-naphthyl)-maleamate","","","- C26 H37 N O3 Sn -","- C26 H37 N O3 Sn -","- C52 H74 N2 O6 Sn2 -","2","1","FG1647","Parvez, Masood; Ali, Saqib; Ahmad, Sajjad; Bhatti, Moazzam Hussain; Mazhar, Muhammad","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin]-μ-<i>N</i>-(1-naphthyl)maleamato]","Acta Crystallographica Section C","2002","58","6","m334","m335","10.1107/S0108270102007539","","","0.71073","MoKα","","0.076","0.061","","","0.16","0.169","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012751","7.6862","0.0006","11.8902","0.0009","13.3644","0.0011","109.492","0.003","92.902","0.004","101.347","0.004","1119.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","I","bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate","","- C21 H20 Cu N6 O7 -","- C21 H20 Cu N6 O7 -","- C42 H40 Cu2 N12 O14 -","2","1","FR1363","Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.","New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~","Acta Crystallographica Section C","2002","58","6","m330","m333","10.1107/S010827010200690X","","","0.71073","MoKα","","0.0443","0.0362","","","0.0969","0.1001","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012752","12.347","0.003","26.54","0.006","7.1648","0.0016","90","","119.129","0.004","90","","2050.9","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","II","catena-poly[[[bis(2,2'-bipyridine)copper(II)]-μ-nitrato-O:O'] nitrate]","","- C20 H16 Cu N6 O6 -","- C20 H16 Cu N6 O6 -","- C80 H64 Cu4 N24 O24 -","4","0.5","FR1363","Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.","New structures in the bipyridine‒copper(II) nitrate‒methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~","Acta Crystallographica Section C","2002","58","6","m330","m333","10.1107/S010827010200690X","","","0.71073","MoKα","","0.0989","0.0594","","","0.1252","0.1394","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012753","7.962","0.003","8.249","0.004","18.931","0.009","90","","90","","90","","1243.4","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","FV-LAMAL","2-[(3-Furyl)(hydroxy)methyl]-2,3-dimethylcyclohexanone","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","FR1367","Esther García G.; Mendoza G., Virgilio; Guzmán-B., José Agustín; Graniel, Luis Angel Maldonado; Hernández-Ortega, Simón","2-[3-Furyl(hydroxy)methyl]-2,3-dimethylcyclohexanone","Acta Crystallographica Section C","2002","58","6","o336","o338","10.1107/S0108270102007527","","","0.71073","MoKα","","0.0845","0.0524","","","0.0891","0.0983","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012754","12.832","0.004","7.961","0.003","11.809","0.004","90","","99.79","0.02","90","","1188.8","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","FR1370","Papadakis, Markos M.; Martins, Sonia P.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-12-Oxotricyclo[6.2.2.0^1,6^]dodecane-10-carboxylic acid: hydrogen bonding in a tricyclic δ-keto acid","Acta Crystallographica Section C","2002","58","6","o321","o322","10.1107/S0108270102006893","","","0.71073","MoKα","","0.065","0.044","","","0.103","0.114","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012755","9.346","0.002","11.413","0.002","19.493","0.004","90","","90","","90","","2079.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-t-butoxycarbonyl-N-methyl-(O-benzyl)-L-tyrosine","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","GD1196","Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek","<i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<i>N</i>-methyl-<small>L</small>-tyrosine","Acta Crystallographica Section C","2002","58","6","o353","o354","10.1107/S0108270102007114","","","0.71073","MoKα","","0.0613","0.0479","","","0.105","0.1118","","","","","","1.341","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012756","10.2643","0.0003","13.4878","0.0004","21.1227","0.0008","86.2858","0.001","77.9955","0.0013","73.932","0.003","2748.51","0.16","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","- C120 H140 N4 O32 Zn -","1","1","GD1198","Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg","Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-<i>meso</i>-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^<i>N</i>]zinc(II), dibenzo-24-crown-8 and methanol","Acta Crystallographica Section C","2002","58","6","m344","m346","10.1107/S010827010200776X","","","0.7107","MoKα","","0.0878","0.0698","","","0.1547","0.1673","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012757","6.568","0.001","13.282","0.003","20.801","0.005","90","","90","","90","","1814.6","0.7","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kamebanin","rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14- methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","GD1200","Pan, Yuan Jiang; Shi, Hao","The natural diterpenoid kamebanin","Acta Crystallographica Section C","2002","58","6","o323","o324","10.1107/S0108270102007175","","","0.71073","MoKα","","0.0736","0.0447","","","0.0945","0.1048","","","","","","0.927","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012758","7.476","0.001","8.923","0.001","10.155","0.001","76.68","0.01","89.08","0.01","80.66","0.01","650.3","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[3,4-d]pyrimidine","5-benzyl-1,7-dimethyl-4,6-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","GD1201","Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.","Isomeric pyrazolo[3,4-<i>d</i>]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions","Acta Crystallographica Section C","2002","58","6","o311","o313","10.1107/S0108270102006315","","","0.71073","MoKα","","0.054","0.0463","","","0.1274","0.1343","","","","","","1.048","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012759","12.468","0.001","7.449","0.001","15.076","0.002","90","","108.94","0.01","90","","1324.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[3,4-d]pyrimidine","1-benzyl-5,7-dimethyl-4-dioxo-4,5,6,7-tetrahydropyrazolo[3,4-d]pyrimidine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","GD1201","Avasthi, Kamlakar; Rawat, Diwan S.; Chandra, Tilak; Sharon, Ashoke; Maulik, Prakas R.","Isomeric pyrazolo[3,4-<i>d</i>]pyrimidine-based molecules: disappearance of dimerization due to interchanged substitutions","Acta Crystallographica Section C","2002","58","6","o311","o313","10.1107/S0108270102006315","","","0.71073","MoKα","","0.1301","0.0593","","","0.1301","0.1588","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012760","8.1517","0.0016","13.4955","0.0012","15.486","0.002","90","","90","","90","","1703.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-α-isosparteine copper(II) diazide","(Diazido-N)[(-)-α-isosparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","GD1202","Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak","(‒)-α-Isosparteine copper(II) diazide","Acta Crystallographica Section C","2002","58","6","m361","m362","10.1107/S0108270102008016","","","0.71073","MoKα","","0.112","0.052","","","0.063","0.087","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012761","7.2703","0.0006","7.2963","0.0008","24.086","0.003","90","","94.517","0.008","90","","1273.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-methoxyphenyl)-4-nitrophenylimine","N-(2-methoxyphenyl)-4-nitrophenylimine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","GG1100","Zhang, De-Chun","The effect of molecular planarity on crystal non-centrosymmetry in benzylidene‒aniline derivatives","Acta Crystallographica Section C","2002","58","6","o351","o352","10.1107/S0108270102006479","","","0.71073","MoKα","","0.059","0.04","","","0.1","0.108","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012762","8.6495","0.0018","17.118","0.004","10.568","0.002","90","","113.85","0.02","90","","1431.1","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","","catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamide-κN)copper(II)]- μ-dicyanamide-κ^2^N:N']","","- C14 H8 Cu N8 -","- C14 H8 Cu N8 -","- C56 H32 Cu4 N32 -","4","1","GG1106","Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar","Low-dimensional compounds containing cyano groups. II. <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II)]-μ-dicyanamido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2002","58","6","m327","m329","10.1107/S0108270102006625","","","0.71073","MoKα","","0.024","0.023","","","0.06","0.064","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012763","10.1635","0.0017","17.038","0.003","12.547","0.003","90","","108.155","0.013","90","","2064.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,6,11,12-tetrahydro-5,12;6,11-di-o-benzenodibenzo[a,e]cyclooctene- 5,6-dicarboxylic anhydride","","- C30 H18 O3 -","- C30 H18 O3 -","- C120 H72 O12 -","4","1","NA1561","Cicogna, Francesca; Ingrosso, Giovanni; Marchetti, Fabio","A [4π+4π] intramolecular photocyclomer of 9-anthroic anhydride: 5,6,11,12-tetrahydro-5,12;6,11-di-<i>o</i>-benzenodibenzo[<i>a</i>,<i>e</i>]cyclooctene-5,6-dicarboxylic anhydride","Acta Crystallographica Section C","2002","58","6","o359","o361","10.1107/S0108270102007436","","","0.71073","MoKα","","0.176","0.066","","","0.105","0.138","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012764","8.232","0.003","15.348","0.005","10.539","0.003","90","","94.5","0.02","90","","1327.4","0.8","293","2","293","3","","","","","","","","6","P 1 21 1","P 2yb","4","","Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate","","- C20 H36 Cl Co N4 O10 -","- C20 H36 Cl Co N4 O10 -","- C40 H72 Cl2 Co2 N8 O20 -","2","1","NA1562","Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.","Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-<i>trans</i>(O)-(1,2-diaminoethane-κ^2^<i>N</i>,<i>N</i>)bis(<i>S</i>-tyrosinato)cobalt(III) chloride tetrahydrate","Acta Crystallographica Section C","2002","58","6","m338","m340","10.1107/S0108270102006728","","","0.71073","MoKα","","0.045","0.0318","","","0.081","0.0881","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012765","9.402","0.002","10.121","0.003","13.71","0.003","90","","90","","90","","1304.6","0.6","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Cl2 N6 S2 Zn -","- C4 H14 Cl2 N6 S2 Zn -","- C16 H56 Cl8 N24 S8 Zn4 -","4","1","NA1563","Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M.","Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^<i>N</i>^1^,<i>N</i>^4^)zinc(II) chloride","Acta Crystallographica Section C","2002","58","6","m358","m360","10.1107/S0108270102007564","","","0.71073","MoKα","","","0.065","","","","0.124","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012766","17.541","0.002","12.112","0.001","24.95","0.003","90","","109.26","0.01","90","","5004.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-dicloro [tris-(diphenylphosphinoethyl)amine] ruthenium (II) chloform solvate","","- C44.4 H46.5 Cl9.5 N O P3 Ru -","- C44.4 H46.5 Cl9.5 N O P3 Ru -","- C177.6 H186 Cl38 N4 O4 P12 Ru4 -","4","1","NA1568","Anzellotti, Atilio; Briceño, Alexander; Delgado, Gerzon; Díaz de Delgado, Graciela; Fontal, Bernardo","<i>cis</i>-Dichloro[tris(diphenylphosphinoethyl)amine]ruthenium(II)‒chloroform‒water (1/2.5/1)","Acta Crystallographica Section C","2002","58","6","m355","m357","10.1107/S0108270102008004","","","0.71069","MoKα","","0.1696","0.0797","","","0.1807","0.2233","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012767","8.932","0.001","5.324","0.001","26.316","0.002","90","","92.8","0.01","90","","1249.9","0.3","288","2","288","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoylacetone S-methylisothiosemicarbazone","1-(1-Benzoylpropen2-yl)-3-methylisothiosemicarbazide","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C48 H60 N12 O4 S4 -","4","1","NA1569","Forni, Alessandra; Gradinaru, Julieta","1-(1-Benzoylpropen-2-yl)-3-methylisothiosemicarbazide","Acta Crystallographica Section C","2002","58","6","o342","o344","10.1107/S0108270102007059","","","0.71073","MoKα","","0.085","0.05","","","0.14","0.151","","","","","","0.881","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012768","4.539","0.001","28.544","0.006","9.863","0.002","90","","97.57","0.03","90","","1266.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","melaminium glutarate monohydrate","2,4,6-triamino-1,3,5-triazine-1-ium glutarate monohydrate","","- C8 H16 N6 O5 -","- C8 H16 N6 O5 -","- C32 H64 N24 O20 -","4","1","NA1570","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium glutarate monohydrate","Acta Crystallographica Section C","2002","58","6","o339","o341","10.1107/S0108270102007266","","","0.71073","MoKα","","0.075","0.029","","","0.058","0.07","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012769","7.681","0.0002","14.461","0.0003","14.619","0.0004","90","","90","","90","","1623.8","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","a precursor of a β-lactamase inhibitor","allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","NA1571","Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom","Precursor of a β-lactamase inhibitor: allyl (4<i>S</i>,8<i>S</i>,9<i>R</i>)-10-[(<i>E</i>)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","Acta Crystallographica Section C","2002","58","6","o367","o369","10.1107/S010827010200793X","","","0.71073","MoKα","","0.0509","0.0434","","","0.1206","0.1271","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012770","10.8806","0.0002","22.467","0.0005","11.5313","0.0003","90","","92.208","0.001","90","","2816.78","0.11","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionylamino)pyridyl]-1- phenylethyl p-bromobenzoate","","- C30 H33 Br N2 O3 -","- C30 H33 Br N2 O3 -","- C120 H132 Br4 N8 O12 -","4","2","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-(<i>N</i>-phenyl-<i>N</i>-propionylamino)piperidin-1-yl]-1-phenylethyl <i>p</i>-bromobenzoate and <i>N</i>-{(3<i>R</i>,4<i>S</i>)-1-[(2<i>S</i>)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-<i>N</i>-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0485","0.0471","","","0.1201","0.1215","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012771","6.1932","0.0001","10.7461","0.0001","33.0458","0.0003","90","","90","","90","","2199.29","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{(3R,4S)1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-4-pyridyl}- N-phenylpropenamide","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C92 H108 Br4 N8 O8 -","4","1","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-(<i>N</i>-phenyl-<i>N</i>-propionylamino)piperidin-1-yl]-1-phenylethyl <i>p</i>-bromobenzoate and <i>N</i>-{(3<i>R</i>,4<i>S</i>)-1-[(2<i>S</i>)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-<i>N</i>-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0434","0.0414","","","0.1029","0.1052","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012772","20.96","0.004","6.8198","0.0014","11.73","0.002","90","","118.67","0.03","90","","1471.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ethyl 2-{[5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]hydrazono}- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate 7,7,8,8-tetracyano-p-quinodimethane (1/1)","","","- C28 H26 N8 O4 S2 -","- C28 H26 N8 O4 S2 -","- C56 H52 N16 O8 S4 -","2","0.25","SK1545","Toplak, Renata; Lorcy, Dominique","A neutral complex of an azino‒DTDAF compound with TCNQ","Acta Crystallographica Section C","2002","58","6","o370","o372","10.1107/S0108270102007722","","","0.71073","MoKα","","0.057","0.041","","","0.102","0.108","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012773","7.307","0.003","6.453","0.003","14.423","0.008","90","","101.83","0.03","90","","665.6","0.6","298","2","298","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Aqua(4,4'-oxydibenzoato-κO)cadmium(II)","","- C14 H10 Cd O6 -","- C14 H10 Cd O6 -","- C28 H20 Cd2 O12 -","2","0.5","SK1548","Hu, Mao-Lin; Gao, Peng; Ng, Seik Weng","Aqua(4,4'-oxydibenzoato-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section C","2002","58","6","m323","m324","10.1107/S0108270102006352","","","0.71073","MoKα","","0.028","0.025","","","0.066","0.067","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012774","7.544","0.005","9.084","0.006","9.152","0.008","72.65","0.06","66.61","0.05","76.96","0.07","545.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-1H-imidazo[5,4-f]quinolin-6-ium chloride monohydrate","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C22 H24 Cl2 N6 O2 -","2","1","SK1549","Kettmann, Viktor; Lokaj, Jan; Milata, Viktor; Saloň, Jozef; Hasan, Mohamed Mahmoud Mohamed","1-Methyl-1<i>H</i>-imidazo[4,5-<i>f</i>]quinolin-6-ium chloride monohydrate","Acta Crystallographica Section C","2002","58","6","o365","o366","10.1107/S0108270102008089","","","0.71073","MoKα","","0.137","0.07","","","0.162","0.201","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012775","7.238","0.0005","11.9743","0.0009","21.2062","0.0016","90","","90","","90","","1837.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[N-(Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole","","- C20 H22 N6 -","- C20 H22 N6 -","- C80 H88 N24 -","4","1","SK1550","Glidewell, Christopher; Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo","5-[<i>N</i>-(1<i>H</i>-Benzotriazol-1-ylmethyl)amino]-3-<i>tert</i>-butyl-1-phenylpyrazole: sheets built from N—H···N, C—H···N and C—H···π(pyrazole) interactions","Acta Crystallographica Section C","2002","58","6","o314","o317","10.1107/S0108270102006881","","","0.71073","MoKα","","0.049","0.044","","","0.1048","0.1075","","","","","","1.072","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012776","20.79","0.0011","16.052","0.001","16.778","0.0009","90","","105.604","0.004","90","","5392.8","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide‒1,4-dioxan (1/0.6)","","- C55.2 H38.4 N6 O15.6 S6 -","- C55.2 H38.4 N6 O15.6 S6 -","- C220.8 H153.6 N24 O62.4 S24 -","4","0.5","SK1551","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Low, John N.; Zakaria, Choudhury M.","<i>N</i>,<i>N</i>'-Dithiobisphthalimide‒1,4-dioxan (1/0.6): a <i>C</i>2/<i>c</i> solvate with disordered solvent molecules localized in channels","Acta Crystallographica Section C","2002","58","6","o347","o350","10.1107/S0108270102007680","","","0.71073","MoKα","","0.159","0.072","","","0.145","0.183","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012777","11.0731","0.0005","7.3642","0.0003","22.9129","0.0011","90","","111.456","0.002","90","","1738.94","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","SK1553","Quesada, Antonio; Low, John N.; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine: chains built from three-centre N—H···(N,O) and N—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2002","58","6","o355","o358","10.1107/S0108270102008181","","","0.71073","MoKα","","0.264","0.063","","","0.114","0.169","","","","","","0.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012778","4.0368","0.0003","7.7237","0.0004","10.1355","0.0005","84.607","0.004","80.825","0.005","75.318","0.005","301.31","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cd N6 S4 -","- C4 H8 Cd N6 S4 -","- C4 H8 Cd N6 S4 -","1","0.5","TA1373","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cadmium(II)]-di-μ-thiourea-κ^4^<i>S</i>:<i>S</i>]","Acta Crystallographica Section C","2002","58","6","m336","m337","10.1107/S0108270102007631","","","0.71073","MoKα","","0.0246","0.0222","","","0.0631","0.0649","","","","","","1.144","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012779","8.6706","0.0005","8.5319","0.0006","13.3143","0.0009","90","","103.84","0.001","90","","956.35","0.11","303","2","303","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione","","- C17 H14 S5 Sn -","- C17 H14 S5 Sn -","- C34 H28 S10 Sn2 -","2","1","TR1026","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","6,6-Diphenyl-6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione","Acta Crystallographica Section C","2002","58","6","m351","m354","10.1107/S0108270102007898","","","0.71073","MoKα","","0.05","0.042","","","0.11","0.118","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012780","11.3973","0.0004","14.2749","0.0005","12.5609","0.0005","90","","114.625","0.001","90","","1857.74","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene]-2,2'-dithione","","- C10 H8 S10 Sn -","- C10 H8 S10 Sn -","- C40 H32 S40 Sn4 -","4","1","TR1026","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","6,6-Diphenyl-6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione","Acta Crystallographica Section C","2002","58","6","m351","m354","10.1107/S0108270102007898","","","0.71073","MoKα","","0.047","0.033","","","0.083","0.091","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012781","12.3178","0.0001","15.5281","0.0001","20.4617","0.0001","90","","90","","90","","3913.75","0.04","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C44 H36 O7 S U -","- C44 H36 O7 S U -","- C176 H144 O28 S4 U4 -","4","1","AV1108","Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada","(Dibenzyl sulfoxide-κ<i>O</i>)bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","2002","58","7","m368","m370","10.1107/S010827010200848X","","","0.71073","MoKα","","0.063","0.048","","","0.104","0.121","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012782","11.053","0.002","7.409","0.002","17.956","0.004","90","","100.16","0.02","90","","1447.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(5-phenyltetrazol-2-yl)methane","","- C15 H12 N8 -","- C15 H12 N8 -","- C60 H48 N32 -","4","1","AV1109","Lyakhov, Alexander S.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.","Bis(5-phenyltetrazol-2-yl)methane","Acta Crystallographica Section C","2002","58","7","o381","o383","10.1107/S0108270102008466","","","0.71069","MoKα","","0.058","0.041","","","0.113","0.126","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012783","7.0863","0.0003","28.4885","0.0011","4.8336","0.0002","90","","94.874","0.001","90","","972.27","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate","","- C4 H17 N2 O6 P -","- C4 H17 N2 O6 P -","- C16 H68 N8 O24 P4 -","4","1","AV1110","Demir, Selcuk; Yilmaz, Veysel T.; Andac, Omer; Harrison, William T. A.","<i>N</i>-(2-Hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate","Acta Crystallographica Section C","2002","58","7","o407","o408","10.1107/S0108270102009629","","","0.71073","MoKα","","0.038","0.032","","","0.088","0.091","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012784","7.78","0.001","13.056","0.001","15.245","0.001","97.04","0.01","93.48","0.01","94.23","0.01","1528.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-3,4,5-triethoxybenzoato-κ^2^O:O')bis[(pyrazine- κN)rhodium(II)](Rh-Rh)","","- C60 H76 N4 O20 Rh2 -","- C60 H76 N4 O20 Rh2 -","- C60 H76 N4 O20 Rh2 -","1","0.5","BK1651","Castro, Maria Ana; Chaia, Zulema D.; Piro, Oscar E.; Cukiernik, Fabio D.; Castellano, Eduardo E.; Rusjan, Marcia","A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand","Acta Crystallographica Section C","2002","58","7","m393","m395","10.1107/S0108270102009460","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.087","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012785","11.66","0.001","17.164","0.002","17.102","0.002","90","","92.75","0.02","90","","3418.7","0.6","90","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2- trifluoroethylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C19 H16 F3 N O3 -","- C19 H16 F3 N O3 -","- C152 H128 F24 N8 O24 -","8","2","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.134","0.051","","","0.123","0.16","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012786","9.539","0.001","16.716","0.001","11.72","0.001","90","","92.9","0.01","90","","1866.4","0.3","90","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,3- pentafluoropropylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C20 H16 F5 N O3 -","- C20 H16 F5 N O3 -","- C80 H64 F20 N4 O12 -","4","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.134","0.057","","","0.146","0.181","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012787","10.07","0.002","11.003","0.002","11.266","0.002","93.75","0.03","111.33","0.03","115.8","0.02","1008.9","0.5","93","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4- heptafluorobutylidene]-4-(1-methylethylidene)dihydrofuran-2,5-dione","","- C21 H16 F7 N O3 -","- C21 H16 F7 N O3 -","- C42 H32 F14 N2 O6 -","2","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.088","0.054","","","0.135","0.152","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012788","7.721","0.001","20.737","0.002","13.496","0.001","90","","99.35","0.01","90","","2132.1","0.4","90","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,2-trifluoroethylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione","","- C26 H24 F3 N O3 -","- C26 H24 F3 N O3 -","- C104 H96 F12 N4 O12 -","4","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.073","0.056","","","0.132","0.14","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012789","10.313","0.001","10.924","0.001","11.729","0.001","87.67","0.01","82.65","0.01","73.24","0.01","1254.8","0.2","90","2","273","2","","","","","","","","5","P -1","-P 1","2","","(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4-heptafluorobutylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione","","- C28 H24 F7 N O3 -","- C28 H24 F7 N O3 -","- C56 H48 F14 N2 O6 -","2","1","BK1655","Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J.","Structural properties of a series of photochromic fluorinated indolylfulgides","Acta Crystallographica Section C","2002","58","7","o389","o393","10.1107/S0108270102008041","","","0.71073","MoKα","","0.065","0.044","","","0.101","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012790","19.523","0.004","9.2726","0.0019","9.939","0.002","90","","90","","90","","1799.2","0.6","293","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H15 Be F4 N2 O0.5 -","- C6 H15 Be F4 N2 O0.5 -","- C48 H120 Be8 F32 N16 O4 -","8","1","BM1497","Gerrard, Lee A.; Weller, Mark T.","Dabconium orthofluoroberyllate hemihydrate","Acta Crystallographica Section C","2002","58","7","m407","m408","10.1107/S0108270102009654","","","0.71073","MoKα","","0.0479","0.0432","","","0.113","0.117","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012791","8.4293","0.0002","18.833","0.0003","13.9401","0.0003","90","","95.4144","0.0009","90","","2203.1","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate","","- C18 H23 Cl2 Cu I N5 -","- C18 H23 Cl2 Cu I N5 -","- C72 H92 Cl8 Cu4 I4 N20 -","4","1","BM1500","Halcrow, Malcolm A.; Kilner, Colin A.","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate","Acta Crystallographica Section C","2002","58","7","m424","m426","10.1107/S0108270102010053","","","0.71073","MoKα","","0.046","0.034","","","0.083","0.088","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012792","5.296","0.002","6.359","0.001","16.238","0.004","80.93","0.01","81.8","0.03","72.92","0.02","513.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sodium silver tricobalt diphosphate","Sodium silver tricobalt diphosphate","","- Ag0.58 Co3 Na1.42 O14 P4 -","- Ag0.576 Co3 Na1.424 O14 P4 -","- Ag1.152 Co6 Na2.848 O28 P8 -","2","1","BR1368","Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.","Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate","Acta Crystallographica Section C","2002","58","7","i87","i89","10.1107/S0108270102008922","","","0.71073","MoKα","","0.05","0.04","","","0.101","0.107","","","","","","1.048","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012793","15.088","0.002","5.641","0.001","8.171","0.001","90","","116.11","0.01","90","","624.48","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sodium silver copper(II) diphosphate","Sodium silver copper(II) diphosphate","","- Ag0.88 Cu Na1.12 O7 P2 -","- Ag0.876 Cu Na1.124 O7 P2 -","- Ag3.504 Cu4 Na4.496 O28 P8 -","4","0.5","BR1368","Bennazha, J.; Boukhari, Ali; Holt, Elizabeth M.","Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate","Acta Crystallographica Section C","2002","58","7","i87","i89","10.1107/S0108270102008922","","","0.71073","MoKα","","0.06","0.049","","","0.152","0.161","","","","","","1.204","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012794","12.1975","0.001","12.9531","0.001","6.754","0.002","90","","113.85","0.04","90","","976","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","sodium manganese arsenate(1.72/3.28/12)","","- As3 Mn3.28 Na1.72 O12 -","- As3 Mn3.28 Na1.72 O12 -","- As12 Mn13.12 Na6.88 O48 -","4","0.5","BR1372","Brahim Ayed; Mohamed Krifa; Amor Haddad","Na~1.72~Mn~3.28~(AsO~4~)~3~","Acta Crystallographica Section C","2002","58","7","i98","i100","10.1107/S010827010200882X","","","0.71073","MoKα","","0.1166","0.0511","","","0.1174","0.1406","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012795","29.781","0.0004","5.422","0.0001","9.8768","0.0002","90","","96.618","0.001","90","","1584.21","0.05","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Gallium fluorophenylphosphonate","","- C6 H5 F Ga O3 P -","- C6 H5 F Ga O3 P -","- C48 H40 F8 Ga8 O24 P8 -","8","1","BR1373","Loiseau, Thierry; Neeraj, Sharma; Cheetham, Anthony K.","GaFPO~3~(C~6~H~5~): a new fluorinated gallium phenylphosphonate with a layered network","Acta Crystallographica Section C","2002","58","7","m379","m381","10.1107/S0108270102008934","","","0.71073","MoKα","","0.0515","0.0421","","0.109","","0.1043","","","1.097","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012796","5.496","0.0002","5.496","0.0002","20.0873","0.0016","90","","90","","120","","525.47","0.05","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Magnesium nitridoboride","","- B9 Mg N -","- B9 Mg N -","- B54 Mg6 N6 -","6","0.166667","BR1376","Mironov, Andrei; Kazakov, Sergei; Jun, Jan; Karpinski, Janusz","MgNB~9~, a new magnesium nitridoboride","Acta Crystallographica Section C","2002","58","7","i95","i97","10.1107/S0108270102009253","","","0.71069","MoKα","","0.017","0.017","","","0.035","0.035","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012797","9.69","0.003","6.451","0.002","9.774","0.003","90","","103.075","0.006","90","","595.1","0.3","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Ge -","- Cl4 Ge -","- Cl16 Ge4 -","4","1","BR1378","Merz, Klaus; Driess, Matthias","Germanium(IV) chloride at 193K","Acta Crystallographica Section C","2002","58","7","i101","i102","10.1107/S0108270102010351","","","0.71073","MoKα","","0.0268","0.0255","","","0.0697","0.0714","","","","","","1.272","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012798","8.6079","0.0012","8.9177","0.0011","16.717","0.003","90","","93.841","0.013","90","","1280.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1,3-propanediamine-κ^2^N,N')nickel(II) bis(sulfanilate)","","- C18 H36 N6 Ni O8 S2 -","- C18 H36 N6 Ni O8 S2 -","- C36 H72 N12 Ni2 O16 S4 -","2","0.5","DE1184","Kim, Chong-Hyeak; Lee, Sueg-Geun","Diaquabis(1,3-propanediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(sulfanilate)","Acta Crystallographica Section C","2002","58","7","m421","m423","10.1107/S0108270102009897","","","0.71073","MoKα","","0.032","0.03","","","0.082","0.084","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012799","9.363","0.0002","9.972","0.0005","11.127","0.0005","90","","105.33","0.003","90","","1001.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-D-ALA-L-PIP-NH^i^Pr","1-(tert-butoxycarbonyl-D-alanyl)-N-isopropyl-L-pipecolamide","","- C17 H31 N3 O4 -","- C17 H31 N3 O4 -","- C34 H62 N6 O8 -","2","1","DN1009","Didierjean, Claude; Boussard, Guy; Aubry, André","A pipecolic acid (Pip)-containing dipeptide, Boc-<small>D</small>-Ala-<small>L</small>-Pip-NH^<i>i^</i>Pr","Acta Crystallographica Section C","2002","58","7","o394","o396","10.1107/S0108270102008715","","","0.7107","MoKα","","0.066","0.054","","","0.14","0.15","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2012800","5.6203","0.0008","5.6203","0.0008","7.9983","0.001","90","","90","","120","","218.8","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","dipotassium caesium ytterbium bis(phosphate)","","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","- Cs K2 O8 P2 Yb -","1","0.0833333","DN1010","Rghioui, Lotfi; El Ammari, Lahcen; Benarafa, Larbi; Wignacourt, Jean Pierre","K~2~CsYb(PO~4~)~2~","Acta Crystallographica Section C","2002","58","7","i90","i91","10.1107/S0108270102008107","","","0.71073","MoKα","","0.016","0.016","","0.039","","0.039","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012801","8.47","0.002","9.702","0.002","14.648","0.003","85.55","0.01","80.11","0.02","68.2","0.01","1100.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane- 1,9-diamine-2κ^4^N)-nitrosyl-1κN-copper(II)iron(II) dihydrate","","- C13 H25 Cu Fe N11 O5 -","- C13 H25 Cu Fe N11 O5 -","- C26 H50 Cu2 Fe2 N22 O10 -","2","1","FG1643","Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong","μ-Cyano-1:2κ^2^<i>C</i>:<i>N</i>-tetracyano-1κ^4^<i>C</i>-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^<i>N</i>^1,3,7,9^)-nitrosyl-1κ<i>N</i>-copper(II)iron(II) dihydrate","Acta Crystallographica Section C","2002","58","7","m382","m384","10.1107/S0108270102009149","","","0.71073","MoKα","","0.029","0.025","","","0.066","0.067","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012802","14.882","0.002","14.882","0.002","6.4052","0.0011","90","","90","","120","","1228.5","0.3","150","","150","","","","","","","","","5","P -3","-P 3","147","[Fe(phox)~3~]","Tris[2-(2'-oxazolinyl)-phenolato]iron(II)","","- C27 H24 Fe N3 O6 -","- C27 H24 Fe N3 O6 -","- C54 H48 Fe2 N6 O12 -","2","0.333333","FG1649","Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan","Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)","Acta Crystallographica Section C","2002","58","7","m390","m392","10.1107/S0108270102009435","","","0.71073","MoKa","","0.1151","0.0741","","","0.1514","0.1681","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012803","5.2885","0.0001","8.1643","0.0002","28.8446","0.0005","90","","90","","90","","1245.42","0.04","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-(4-vinylbenzyl)adenine","9-(4-vinylbenzyl)adenine","","- C14 H13 N5 -","- C14 H13 N5 -","- C56 H52 N20 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.046","0.039","","","0.106","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012804","5.9603","0.0002","7.0132","0.0002","25.9571","0.0009","90","","90","","90","","1085.03","0.06","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(4-vinylbenzyl)uracil","1-(4-vinylbenzyl)uracil","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.077","0.054","","","0.12","0.135","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012805","12.375","0.002","15.248","0.002","14.119","0.002","90","","90","","90","","2664.2","0.7","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl- κN)(trimethylsilylmethyl)molybdenum(III)]","","- C20 H38 Mo2 N2 O4 Si2 -","- C20 H38 Mo2 N2 O4 Si2 -","- C80 H152 Mo8 N8 O16 Si8 -","4","1","FR1372","Trevor W. Hayton; Peter Legzdins; Steven J. Rettig","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl-κ<i>N</i>)(trimethylsilylmethyl)molybdenum(II)]","Acta Crystallographica Section C","2002","58","7","m377","m378","10.1107/S010827010200865X","","","0.71069","MoKα","","0.073","0.037","","0.063","","0.063","","","1.215","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012806","8.3016","0.0009","11.8473","0.0018","14.3024","0.0009","93.896","0.008","99.206","0.007","100.562","0.01","1358.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis(thiourea)chlorocopper(I) di(4,5-Diazafluoren-9-one) monohydrate","","- C24 H22 Cl Cu N8 O3 S2 -","- C24 H22 Cl Cu N8 O3 S2 -","- C48 H44 Cl2 Cu2 N16 O6 S4 -","2","1","FR1373","Wu, Zhiyong; Xu, Duanjun; Wu, Jingyun; Chiang, Michael Y.","Chlorobis(thiourea-κ<i>S</i>)copper(I) bis(4,5-diazafluoren-9-one) monohydrate","Acta Crystallographica Section C","2002","58","7","m374","m376","10.1107/S0108270102009022","","","0.71069","MoKα","","0.0828","0.042","","","0.1125","0.1324","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012807","6.699","0.002","11.409","0.003","11.764","0.003","90","","94.98","0.02","90","","895.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","FR1378","Newman, Jacob M.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3,11-Dioxoandrost-4-ene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","2002","58","7","o402","o404","10.1107/S0108270102009393","","","0.71073","MoKα","","0.063","0.041","","","0.077","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012808","17.1668","0.0003","17.1668","0.0003","12.2545","0.0003","90","","90","","90","","3611.39","0.13","83","2","83","2","","","","","","","","4","I -4","I -4","82","Mn12-acetate","hexadeca-μ-acetato-tetraaquadodeca-μ~3~-oxo-dodecamanganese acetic acid disolvate tetrahydrate","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","GD1192","Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry","Disorder effects in Mn~12~‒acetate at 83K","Acta Crystallographica Section C","2002","58","7","m371","m373","10.1107/S0108270102009010","","","0.71073","MoKα","","0.033","0.03","","","0.071","0.073","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012809","15.721","0.0019","6.8582","0.0008","8.2338","0.001","90","","90","","90","","887.75","0.18","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylphenyl isocyanide","","- C10 H11 N -","- C10 H11 N -","- C40 H44 N4 -","4","0.5","GD1206","Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard","2,4,6-Trimethylphenyl isocyanide","Acta Crystallographica Section C","2002","58","7","o384","o385","10.1107/S0108270102008491","","","0.71073","MoKα","","0.121","0.046","","","0.095","0.115","","","","","","0.913","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012810","27.679","0.011","8.126","0.004","18.776","0.009","90","","129.15","0.06","90","","3275","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamidinium acetate acetone hemisolvate","","- C15.5 H23 N4 O2.5 -","- C15.5 H23 N4 O2.5 -","- C124 H184 N32 O20 -","8","1","GD1208","Kettmann, Viktor; Světlík, Jan","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamidinium acetate acetone hemisolvate","Acta Crystallographica Section C","2002","58","7","o423","o424","10.1107/S010827010200937X","","","0.71073","MoKα","","0.1174","0.0726","","","0.1933","0.2291","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012811","16.892","0.005","20.624","0.006","10.854","0.003","90","","115.267","0.005","90","","3419.6","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide-κ^2^O^1^,N^2^]nickel(II) nitrate methanol disolvate monohydrate","","- C26 H44 Cl N7 Ni O11 -","- C26 H44 Cl N7 Ni O11 -","- C104 H176 Cl4 N28 Ni4 O44 -","4","0.5","GG1109","Lewis, Gareth R.; Blake, Alexander J.","Aquachlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide-κ^2^<i>O</i>^1^,<i>N</i>^2^]nickel(II) nitrate methanol disolvate monohydrate","Acta Crystallographica Section C","2002","58","7","m398","m400","10.1107/S0108270102008831","","","0.71073","MoKα","","0.076","0.066","","","0.188","0.198","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012812","11.959","0.002","10.303","0.002","21.489","0.004","90","","145.05","0.03","90","","1516.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","GG1112","Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2002","58","7","o399","o401","10.1107/S0108270102009241","","","0.71073","MoKα","","0.117","0.048","","","0.101","0.121","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012813","7.5182","0.0015","25.125","0.005","10.612","0.002","90","","106.07","0.03","90","","1926.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-isopropoxyphenyl)-5-oxo-1-(4-tolyl)pyrrolidine-2-carbonitrile","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","GG1112","Karapetyan, Harutyun; Tamazyan, Rafael; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-aryl-5-oxopyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2002","58","7","o399","o401","10.1107/S0108270102009241","","","0.71073","MoKα","","0.087","0.049","","","0.115","0.142","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012814","10.661","0.002","11.69","0.002","20.698","0.004","90","","138.6","0.03","90","","1705.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-chlorobenzoyl)-2-phenylpyrrolidine-2-carboxamide","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","GG1113","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section C","2002","58","7","o386","o388","10.1107/S0108270102008636","","","0.71073","MoKα","","0.094","0.048","","","0.124","0.148","","","0.951","","","0.951","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012815","12.665","0.003","12.214","0.002","9.3453","0.0019","90","","91.98","0.03","90","","1444.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-furoyl)-2-phenylpyrrolidine-2-carboxamide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","GG1113","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Hovhannesyan, Vahagn; Gasparyan, Sahak","1-Substituted derivatives of 2-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section C","2002","58","7","o386","o388","10.1107/S0108270102008636","","","0.71073","MoKα","","0.046","0.037","","0.117","","0.125","","","1.005","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012816","8.1782","0.0018","32.06","0.012","8.709","0.003","90","","94.68","0.03","90","","2275.8","1.3","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Ni O4 P2 S4 -","- C42 H56 Ni O4 P2 S4 -","- C84 H112 Ni2 O8 P4 S8 -","2","0.5","GG1114","Özcan, Yusuf; Ide, Semra; Karakus̨, Mehmet; Yılmaz, Hamza","<i>trans</i>-Bis[<i>O</i>-2,4-di-<i>tert</i>-butylphenyl (4-methoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","2002","58","7","m388","m389","10.1107/S0108270102008764","","","0.71073","MoKα","","","0.0498","","","","0.1409","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012817","15.698","0.003","15.337","0.003","19.957","0.004","90","","90","","90","","4804.9","1.6","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^P,S,P'](triphenylphosphine- κP)platinum(II) diperchlorate acetone solvate","","- C49 H49 Cl2 O9 P3 Pt S -","- C49 H49 Cl2 O9 P3 Pt S -","- C196 H196 Cl8 O36 P12 Pt4 S4 -","4","0.5","GG1116","Andreasen, Lars V.; Hazell, Alan; Wernberg, Ole","[Bis(2-diphenylphosphinoethyl) sulfide-κ^3^<i>P</i>,<i>S</i>,<i>P</i>'](triphenylphosphine-κ<i>P</i>)platinum(II) diperchlorate acetone solvate","Acta Crystallographica Section C","2002","58","7","m385","m387","10.1107/S0108270102009186","","","0.71073","MoKα","","","0.032","","","","0.036","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012818","7.7405","0.0002","8.3297","0.0002","11.3317","0.0003","82.257","0.0009","71.5605","0.0008","62.7543","0.001","616.17","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(2-Iodobenzylidene)-3-nitroaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C26 H18 I2 N4 O4 -","2","1","GG1119","Wardell, James L.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Iodobenzylidene)-3-nitroaniline: sheets formed by a combination of C—H···O hydrogen bonds and two aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","7","o428","o430","10.1107/S0108270102008624","","","0.71073","MoKα","","0.03","0.028","","","0.067","0.068","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012819","5.9376","0.0004","5.9376","0.0004","22.0966","0.0009","90","","90","","120","","674.65","0.07","293","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Tl3 H (SO4)2","Trithallium hydrogen bis(sulfate)","","- H O8 S2 Tl3 -","- O8 S2 Tl3 -","- O24 S6 Tl9 -","3","0.0833333","IZ1021","Matsuo, Yasumitsu; Kawachi, Shinya; Shimizu, Yuya; Ikehata, Seiichiro","Trithallium hydrogen bis(sulfate), Tl~3~H(SO~4~)~2~, in the super-ionic phase by X-ray powder diffraction","Acta Crystallographica Section C","2002","58","7","i92","i94","10.1107/S0108270102008569","","","1.54184","CuKα","","","","","","","","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012820","9.5024","0.0006","12.6678","0.0007","14.637","0.001","95.929","0.005","106.777","0.005","104.1","0.005","1607.25","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium(0)]","","- C56 H96 Cl2 N2 O16 Pd2 -","- C56 H96 Cl2 N2 O16 Pd2 -","- C56 H96 Cl2 N2 O16 Pd2 -","1","0.5","LN1139","Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge","Bis(tetra-<i>n</i>-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^<i>C</i>^1^,<i>C</i>^4^)palladium]","Acta Crystallographica Section C","2002","58","7","m404","m406","10.1107/S0108270102009642","","","0.71073","MoKα","","0.026","0.022","","","0.054","0.055","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012821","27.4797","0.0002","6.7734","0.0002","7.4212","0.0005","90","","92.026","0.001","90","","1380.45","0.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-diphenyl-1,4-benzoquinonediamine","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.087","0.062","","","0.152","0.17","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012822","25.678","0.004","7.4815","0.0013","6.9588","0.0012","90","","90","","90","","1336.9","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.077","0.049","","","0.121","0.133","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012823","10.9886","0.0004","12.3322","0.0004","11.9612","0.0005","90","","112.829","0.0002","90","","1493.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C64 H64 N4 O12 S4 -","2","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.081","0.066","","","0.176","0.196","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012824","8.312","0.002","10.611","0.001","23.595","0.002","90","","90.76","0.01","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-{[(diphenyloxyphosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one","","- C23 H19 N2 O5 P -","- C23 H19 N2 O5 P -","- C92 H76 N8 O20 P4 -","4","1","NA1572","Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Grabowski, Sławomir J.; Nawrot-Modranka, Jolanta","A benzopyran derivative substituted at position 3","Acta Crystallographica Section C","2002","58","7","o405","o406","10.1107/S0108270102008508","","","0.71073","MoKα","","0.059","0.039","","","0.124","0.13","","","","","","1.138","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012825","6.412","0.001","14.569","0.002","19.144","0.003","90","","105.02","0.01","90","","1727.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dienyl-3-endoacetaldehyde 2,4-dinitrophenylhydrazone","2-(exo-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-endo-yl)acetaldehyde 2,4-dinitrophenylhydrazone","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","NA1574","Abdul Ajees, A.; Palani, N.; Balasubramanian, K. K.","2-(<i>exo</i>-Tricyclo[5.2.1.0^2,6^]deca-4,8-dien-3-<i>endo</i>-yl)acetaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2002","58","7","o433","o435","10.1107/S010827010200968X","","","1.5418","CuKα","","0.112","0.067","","","0.183","0.214","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012826","8.8713","0.0002","18.5116","0.0001","22.1042","0.0005","90","","90","","90","","3629.99","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","NA1575","Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate","Acta Crystallographica Section C","2002","58","7","m401","m403","10.1107/S0108270102009320","","","0.71073","MoKα","","","0.0383","","","0.0832","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012827","15.2278","0.0008","15.8992","0.0005","8.5558","0.0003","90","","97.586","0.0011","90","","2053.31","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl N-[2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl]glycinate","","- C22 H23 N5 O4 -","- C22 H23 N5 O4 -","- C88 H92 N20 O16 -","4","1","NA1576","Low, John N.; Glidewell, Christopher; Quesada, Antonio; Nogueras, Manuel; Sánchez, Adolfo","Ethyl <i>N</i>-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)glycinate: sheets built from a three-centre N—H···(N,O), and two-centre C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2002","58","7","o425","o427","10.1107/S0108270102009575","","","0.71073","MoKα","","0.1684","0.0689","","","0.1373","0.1761","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012828","5.225","0.001","6.166","0.001","7.079","0.001","84.03","0.03","76.88","0.03","77.81","0.03","216.73","0.07","295","2","293","2","","","","","","","","3","P -1","-P 1","2","3-amino-1,2,4-triazine","3-amino-1,2,4-triazine","","- C3 H4 N4 -","- C3 H4 N4 -","- C6 H8 N8 -","2","1","NA1577","Perpétuo, Genivaldo Julio; Janczak, Jan","3-Amino-1,2,4-triazine","Acta Crystallographica Section C","2002","58","7","o431","o432","10.1107/S0108270102009733","","","0.71073","MoKα","","0.059","0.034","","","0.07","0.083","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012829","15.5724","0.0003","7.4976","0.0002","24.264","0.0005","90","","128.498","0.001","90","","2217.16","0.09","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium 2-butyl-4-chloro-1-{[2'-(5-tetrazolido)biphenyl-4-yl]methyl}-1H-imidazol- 5-ylmethanol","","- C22 H22 Cl K N6 O -","- C22 H22 Cl K N6 O -","- C88 H88 Cl4 K4 N24 O4 -","4","1","NA1578","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.; Echeverría, Gustavo","Losartan potassium, a non-peptide agent for the treatment of arterial hypertension","Acta Crystallographica Section C","2002","58","7","m418","m420","10.1107/S0108270102009745","","","0.71073","MoKα","","","0.043","","","","0.116","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012830","8.0338","0.0006","24.627","0.002","7.4087","0.0005","90","","106.872","0.002","90","","1402.7","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","1","NA1579","MacLean, Elizabeth J.; Low, John N.; Quesada, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher","4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine from synchrotron data at 150K: double chains built from N—H···N, N—H···O, N—H···π(arene) and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2002","58","7","o442","o444","10.1107/S0108270102010387","","","0.6867","synchrotron","","0.0755","0.0474","","","0.1146","0.1252","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012831","9.8888","0.001","10.7259","0.001","13.1808","0.001","69.45","0.01","82.737","0.01","70.075","0.01","1230.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-tetrahedro-tetracopper(I)]- di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]","","- C12 H20 Cu4 N4 O2 S8 -","- C12 H16 Cu4 N4 O2 S8 -","- C24 H32 Cu8 N8 O4 S16 -","2","1","OB1063","Du, Ji-Min; Zeng, Hui-Yi; Dong, Zhen-Chao; Guo, Guo-Cong; Huang, Jin-Shun","<i>catena</i>-Poly[[[bis(μ-4,5-dihydrothiazole-2-thiolato)-<i>tetrahedro</i>-tetracopper(I)]-di-μ-4,5-dihydrothiazole-2-thiolato] dihydrate]","Acta Crystallographica Section C","2002","58","7","m396","m397","10.1107/S0108270102009198","","","0.71073","MoKα","","0.052","0.045","","","0.159","0.17","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012832","12.5921","0.0003","7.5227","0.0001","18.2511","0.0004","90","","95.915","0.001","90","","1719.66","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate","","- C18 H50 Cl4 Cr2 N10 O10 -","- C18 H50 Cl4 Cr2 N10 O10 -","- C36 H100 Cl8 Cr4 N20 O20 -","2","0.5","OB1068","Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul","Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K","Acta Crystallographica Section C","2002","58","7","m409","m412","10.1107/S0108270102009885","","","0.71069","MoKα","","0.031","0.026","","","0.068","0.07","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012833","12.5546","0.0004","7.4907","0.0001","18.1157","0.0004","90","","95.939","0.001","90","","1694.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate","","- C18 H50 Cl4 Cr2 N10 O10 -","- C18 H50 Cl4 Cr2 N10 O10 -","- C36 H100 Cl8 Cr4 N20 O20 -","2","0.5","OB1068","Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul","Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K","Acta Crystallographica Section C","2002","58","7","m409","m412","10.1107/S0108270102009885","","","0.71069","MoKα","","0.026","0.022","","","0.058","0.059","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012834","13.768","0.004","17.021","0.005","15.543","0.004","90","","105.424","0.005","90","","3511.2","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20- tetrathiacalix[4]arene‒dichloromethane (1/2)","","- C74 H72 Cl4 N4 O4 S4 -","- C74 H72 Cl4 N4 O4 S4 -","- C148 H144 Cl8 N8 O8 S8 -","2","0.5","SK1542","Dong,Shujing; Zhu,Wenxiang; Yuan, Daqiang; Yan, Xi","5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetrakis(2-cyanobenzyloxy)-2,8,14,20-tetrathiacalix[4]arene‒dichloromethane (1/2)","Acta Crystallographica Section C","2002","58","7","o376","o377","10.1107/S0108270102008077","","","0.71073","MoKα","","0.1048","0.0596","","","0.1525","0.1864","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012835","11.7912","0.0012","8.4725","0.0007","14.768","0.004","90","","90","","90","","1475.3","0.4","293","2","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(trimethylphosphine)silver(I) hexafluorophosphate","","- C6 H18 Ag F6 P3 -","- C6 H18 Ag F6 P3 -","- C24 H72 Ag4 F24 P12 -","4","0.5","SK1552","Alyea, Elmer C.; Kannan, Shanmugaperumal; Meehan, Paul R.","Bis(trimethylphosphine)silver(I) hexafluorophosphate","Acta Crystallographica Section C","2002","58","7","m365","m367","10.1107/S0108270102007734","","","0.71073","MoKα","","0.047","0.032","","","0.091","0.095","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012836","15.0514","0.0002","19.5456","0.0002","23.0921","0.0006","108.046","0.0005","102.787","0.0006","101.308","0.0008","6037.06","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Triphenylsilanol","","- C18 H16 O Si -","- C18 H16 O Si -","- C288 H256 O16 Si16 -","16","8","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.118","0.061","","","0.147","0.174","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012837","16.8842","0.0003","8.5391","0.0002","23.7053","0.0006","90","","96.131","0.001","90","","3398.18","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(triphenylsilanol) dimethyl sulfoxide solvate","","- C38 H38 O3 S Si -","- C38 H38 O3 S Si2 -","- C152 H152 O12 S4 Si8 -","4","0.5","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.071","0.042","","","0.097","0.109","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012838","9.3033","0.0003","11.6929","0.0005","14.7154","0.0006","87.73","0.003","80.906","0.003","87.804","0.0017","1578.58","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(triphenylsilanol) 1,4-dioxan solvate","","- C76 H72 O6 Si4 -","- C76 H72 O6 Si4 -","- C76 H72 O6 Si4 -","1","0.5","SK1558","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.","Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions","Acta Crystallographica Section C","2002","58","7","o409","o415","10.1107/S0108270102009381","","","0.71073","MoKα","","0.183","0.063","","","0.104","0.135","","","","","","0.917","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012839","6.6442","0.0001","10.307","0.0002","17.2597","0.0004","100.339","0.0008","98.6403","0.0009","103.697","0.0016","1106.51","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(4-nitrophenylsulfanylmethyl)triphenylstannane","","- C25 H21 N O2 S Sn -","- C25 H21 N O2 S Sn -","- C50 H42 N2 O4 S2 Sn2 -","2","1","SK1559","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: <i>R</i>f̱{_2^2}(<i>X</i>) rings (<i>X</i> is 10, 18 or 24) and C—H···π interactions","Acta Crystallographica Section C","2002","58","7","m413","m417","10.1107/S0108270102010375","","","0.71073","MoKα","","0.039","0.032","","","0.076","0.079","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012840","6.8715","0.0004","9.968","0.0005","17.6403","0.001","81.0264","0.0019","89.4798","0.0019","72.5146","0.0017","1137.42","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(4-nitrophenylsulfonylmethyl)triphenylstannane","","- C25 H21 N O4 S Sn -","- C25 H21 N O4 S Sn -","- C50 H42 N2 O8 S2 Sn2 -","2","1","SK1559","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: <i>R</i>f̱{_2^2}(<i>X</i>) rings (<i>X</i> is 10, 18 or 24) and C—H···π interactions","Acta Crystallographica Section C","2002","58","7","m413","m417","10.1107/S0108270102010375","","","0.71073","MoKα","","0.019","0.018","","","0.046","0.046","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012841","28.2157","0.0011","28.2157","0.0011","14.2592","0.0004","90","","90","","120","","9831.2","0.6","160","1","160","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C414 H522 N54 O72 -","18","1","SK1560","Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah","<i>N</i>,<i>N</i>-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","Acta Crystallographica Section C","2002","58","7","o436","o438","10.1107/S0108270102010314","","","0.71073","MoKα","","0.089","0.047","","","0.078","0.09","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2012842","20.515","0.003","10.4596","0.0011","20.517","0.003","90","","104.223","0.013","90","","4267.6","1","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","di-tert-butylsilanediol","","- C8 H20 O2 Si -","- C8 H20 O2 Si -","- C128 H320 O32 Si16 -","16","2","SK1561","Bats, Jan W.; Scholz, Stefan; Lerner, Hans-Wolfram","The low-temperature phase of di-<i>tert</i>-butylsilanediol","Acta Crystallographica Section C","2002","58","7","o439","o441","10.1107/S010827010201034X","","","0.71073","MoKα","","0.078","0.051","","","0.111","0.13","","","","","","1.22","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012843","11.0515","0.0017","18.2104","0.0012","4.3441","0.0011","90","","90.47","0.02","90","","874.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,7-diiodo-2,1,3-benzothiadiazole","","- C6 H2 I2 N2 S -","- C6 H2 I2 N2 S -","- C24 H8 I8 N8 S4 -","4","1","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.026","0.019","","","0.05","0.055","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012844","20.892","0.014","33.38","0.02","3.942","0.003","90","","90","","90","","2749","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","7,7'-diiodo-4,4'-bis(2,1,3-benzothiadiazole)","","- C12 H4 I2 N4 S2 -","- C12 H4 I2 N4 S2 -","- C96 H32 I16 N32 S16 -","8","0.5","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.057","0.055","","","0.151","0.152","","","","","","1.212","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012845","16.675","0.003","7.871","0.0014","14.339","0.003","90","","116.839","0.003","90","","1679.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Di(1-naphthyl)ditelluride","alpha-naphthylditelluride","","- C20 H14 Te2 -","- C20 H14 Te2 -","- C80 H56 Te8 -","4","0.5","TA1375","Schulz Lang, Ernesto; Burrow, Robert Alan; Silveira, Edson Tarabal","Bis(1-naphthyl) ditelluride","Acta Crystallographica Section C","2002","58","7","o397","o398","10.1107/S0108270102008284","","","0.71073","MoKα","","0.036","0.028","","","0.067","0.069","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012846","7.2171","0.0006","18.541","0.003","20.176","0.006","90","","90","","90","","2699.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C31 H42 N2 O2 -","- C31 H42 N2 O2 -","- C124 H168 N8 O8 -","4","1","VJ1164","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2002","58","7","o421","o422","10.1107/S0108270102009319","","","1.5418","CuKα","","0.049","0.043","","","0.117","0.123","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012847","6.104","0.001","10.3202","0.0018","11.96","0.002","94.863","0.003","94.078","0.003","99.867","0.003","736.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate dimethylformamide disolvate","","- C24 H32 N6 O2 S4 -","- C24 H32 N6 O2 S4 -","- C24 H32 N6 O2 S4 -","1","0.5","BJ1039","Xu, Li; Zhou, Jian-Hao; Chen, Xue-Tai; You, Xiao-Zeng","Dibenzyl 2,2'-(ethane-1,2-diylidene)dihydrazinecarbodithioate bis(dimethylformamide) solvate","Acta Crystallographica Section C","2002","58","8","o513","o514","10.1107/S0108270102011411","","","0.71073","MoKα","","0.074","0.048","","","0.123","0.13","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012848","11.484","0.003","18.385","0.006","9.509","0.003","90","","90","","90","","2007.7","1.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,5-bis[(N-B)-(2-aminoethoxy)phenylboryl]thiophene","","- C20 H24 B2 N2 O2 S -","- C20 H24 B2 N2 O2 S -","- C80 H96 B8 N8 O8 S4 -","4","0.5","BM1498","Cox, Philip J.; Wardell, James L.","Coordinative N→B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(<i>N</i>\ρightarrow <i>B</i>)-(2-aminoethoxy)phenylboryl]thiophene","Acta Crystallographica Section C","2002","58","8","o515","o517","10.1107/S0108270102010594","","","0.71073","MoKα","","0.112","0.04","","","0.065","0.075","","","","","","0.629","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012849","7.9977","0.0003","15.923","0.0006","12.1212","0.0004","90","","124.194","0.002","90","","1276.77","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate","","- C20 H18 Cl2 Cu2 N8 O8 -","- C20 H18 Cl2 Cu2 N8 O8 -","- C40 H36 Cl4 Cu4 N16 O16 -","2","0.5","BM1502","Hallam, Matthew J.; Kilner, Colin A.; Halcrow, Malcolm A.","Bis[μ-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate","Acta Crystallographica Section C","2002","58","8","m445","m446","10.1107/S010827010201154X","","","0.71073","MoKα","","0.0445","0.0369","","","0.0898","0.0941","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012850","6.7379","0.0001","26.7454","0.0004","10.6473","0.0002","90","","105.429","0.0006","90","","1849.58","0.05","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)disulfane","","- C16 H24 Cl2 O2 S2 -","- C16 H24 Cl2 O2 S2 -","- C64 H96 Cl8 O8 S8 -","4","1","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.069","0.038","","","0.082","0.093","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012851","13.0673","0.0001","25.7808","0.0002","13.1619","0.0001","90","","114.667","0.0003","90","","4029.43","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)trisulfane","","- C16 H24 Cl2 O2 S3 -","- C16 H24 Cl2 O2 S3 -","- C128 H192 Cl16 O16 S24 -","8","2","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.048","0.033","","","0.08","0.086","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012852","11.1372","0.0001","13.0843","0.0001","16.3379","0.0002","71.8478","0.0005","89.8055","0.0005","73.5431","0.0005","2160.2","0.04","253","1","253","1","","","","","","","","5","P -1","-P 1","2","","1,4-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)tetrasulfane","","- C16 H24 Cl2 O2 S4 -","- C16 H24 Cl2 O2 S4 -","- C64 H96 Cl8 O8 S16 -","4","2","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.065","0.041","","","0.102","0.114","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012853","7.1475","0.0001","7.1475","0.0001","46.3268","0.0008","90","","90","","90","","2366.69","0.06","160","1","160","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1,6-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)hexasulfane","","- C16 H24 Cl2 O2 S6 -","- C16 H24 Cl2 O2 S6 -","- C64 H96 Cl8 O8 S24 -","4","0.5","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.092","0.043","","","0.074","0.085","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012854","6.6027","0.001","8.9552","0.001","16.844","0.002","90","","90","","90","","996","0.2","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Potassium closo-13-oxopentamolybdate","","- K Mo5 O13 -","- K Mo5 O13 -","- K4 Mo20 O52 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71073","MoKα","","0.043","0.037","","","0.094","0.1","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012855","6.697","0.001","9.027","0.001","17.047","0.002","90","","90","","90","","1030.6","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium niobium antimony oxide (1/1.76/3.24)","","- K Nb1.76 O13 Sb3.24 -","- K Nb1.76 O13 Sb3.24 -","- K4 Nb7.04 O52 Sb12.96 -","4","0.25","BR1369","Ftini, Mohamed Mongi; Krifa, Mohamed; Amor, Haddad","KMo~5~O~13~ and KNb~1.76~Sb~3.24~O~13~","Acta Crystallographica Section C","2002","58","8","i106","i108","10.1107/S0108270102007886","","","0.71069","MoKα","","0.028","0.023","","","0.07","0.072","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012856","6.528","0.003","7.956","0.004","9.501","0.004","104.03","0.04","109.17","0.02","101.66","0.03","430.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Heptairon tetrakis(hydrogenphosphate) bis(phosphate)","","- Fe7 H4 O24 P6 -","- Fe7 H4 O24 P6 -","- Fe7 H4 O24 P6 -","1","0.5","BR1377","Zhou, Bei-Chuan; Yao, You-Wei; Wang, Ru-Ji","Heptairon bis(phosphate) tetrakis(hydrogenphosphate)","Acta Crystallographica Section C","2002","58","8","i109","i110","10.1107/S0108270102009873","","","0.71073","MoKα","","0.053","0.043","","","0.1","0.106","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012857","9.6384","0.0005","9.6723","0.0005","9.7512","0.0005","90","","102.465","0.001","90","","887.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hydrated rubidium gallium phosphate","Rubidium aqua-μ~3~-hydroxo-di-μ-phosphato-digallium hydrate","","- Ga2 H5 O11 P2 Rb -","- Ga2 H5 O11 P2 Rb -","- Ga8 H20 O44 P8 Rb4 -","4","1","BR1379","Beitone, Lionel; Loiseau, Thierry; Ferey, Gerard","Rb(GaPO~4~)~2~(OH)(H~2~O)·H~2~O: a hydrated rubidium gallium phosphate analogue of GaPO~4~·2H~2~O and leucophosphite","Acta Crystallographica Section C","2002","58","8","i103","i105","10.1107/S0108270102010600","","","0.71073","MoKα","","0.027","0.024","","0.064","","0.062","","","0.963","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012858","14.392","0.003","21.233","0.004","22.172","0.004","90","","106.95","0.03","90","","6481","2","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorobis(4,4',4''-tri-tert-butyl-2,2';6',2''-terpyridine- κ^3^N)terbium(III) diperchlorate ethanol disolvate","","- C58 H84 Cl3 N6 O11 Tb -","- C57.98 H70 Cl3 N6 O10.99 Tb -","- C231.92 H280 Cl12 N24 O43.96 Tb4 -","4","1","DN1012","Mürner, Hans-Ruedi; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Aquachlorobis(4,4',4''-tri-<i>tert</i>-butyl-2,2';6',2''-terpyridine-κ^3^<i>N</i>)terbium(III) diperchlorate ethanol disolvate","Acta Crystallographica Section C","2002","58","8","m434","m435","10.1107/S0108270102009939","","","0.7107","MoKα","","0.112","0.065","","","0.177","0.203","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012859","12.5976","0.0003","7.7874","0.0003","14.8929","0.0005","90","","94.427","0.002","90","","1456.67","0.08","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-benzenesulfonylmethyl-2-methyl-5-nitro-imidazol-1-yl)-ethanol","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","DN1013","Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.","2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole","Acta Crystallographica Section C","2002","58","8","o496","o498","10.1107/S0108270102011964","","","0.71073","MoKα","","0.0505","0.0462","","","0.1087","0.1129","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012860","11.1646","0.0004","8.8148","0.0002","13.0731","0.0004","90","","93.542","0.002","90","0.002","1284.11","0.07","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-benzenesulfonylmethyl-2-methyl-5-nitro-thiazole","","- C11 H10 N2 O4 S2 -","- C11 H10 N2 O4 S2 -","- C44 H40 N8 O16 S8 -","4","1","DN1013","Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.","2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole","Acta Crystallographica Section C","2002","58","8","o496","o498","10.1107/S0108270102011964","","","0.71073","MoKα","","0.0389","0.0364","","","0.0957","0.0973","","","","","","1.161","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012861","7.9689","0.0011","7.603","0.0008","24.654","0.003","90","","90","","90","","1493.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-nitrophenylacetonitrile","(2-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.048","0.041","","","0.119","0.123","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012862","5.3641","0.0004","11.5157","0.0009","12.1981","0.001","90","","100.369","0.002","90","","741.19","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-nitrophenylacetonitrile","(3-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.047","0.039","","","0.115","0.118","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012863","8.1695","0.0007","5.9775","0.0005","15.726","0.0013","90","","100.695","0.002","90","","754.61","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrophenylacetonitrile","(4-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.046","0.039","","","0.117","0.12","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012864","14.0005","0.0009","6.0243","0.0002","24.4427","0.0006","90","","91.903","0.003","90","","2060.44","0.16","132","1","132","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Hydroxy(4-nitrophenyl)methylene]diphosphonic acid tetrahydrofuran disolvate","","- C15 H25 N O11 P2 -","- C15 H25 N O11 P2 -","- C60 H100 N4 O44 P8 -","4","1","FG1653","Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry","[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers","Acta Crystallographica Section C","2002","58","8","o521","o524","10.1107/S0108270102012386","","","0.71073","MoKα","","0.058","0.045","","","0.088","0.096","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012865","8.42","0.02","23.05","0.01","5.91","0.02","90","","97.7","0.2","90","","1137","5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[Hydroxy(phenyl)methylene]diphosphonic acid monohydrate","","- C7 H12 O8 P2 -","- C7 H12 O8 P2 -","- C28 H48 O32 P8 -","4","2","FG1653","Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry","[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers","Acta Crystallographica Section C","2002","58","8","o521","o524","10.1107/S0108270102012386","","","1.5418","CuKα","","0.05","0.04","","","0.095","0.096","","","","","","1.124","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2012866","11.324","0.001","9.855","0.001","35.012","0.001","90","","90","","90","","3907.3","0.5","294","1","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C160 H216 N40 O16 -","8","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.058","0.042","","0.045","","0.042","","","2.102","","","1.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012867","5.148","0.001","10.739","0.001","35.279","0.001","90","","94.07","0.001","90","","1945.5","0.4","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C80 H108 N20 O8 -","4","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.084","0.043","","0.11","","0.041","","","4.189","","","1.621","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012868","5.207","0.002","5.876","0.003","15.339","0.007","82.21","0.01","81.43","0.01","72.17","0.01","439.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","Methyl (R)-5-{2-[1-(tert-butoxycarbonylamino)ethyl]-thiazol-4-yl}-penta- (E,E)-2,4-dienoate","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","1","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.7107","MoKα","","0.037","0.035","","","0.098","0.1","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012869","10.078","0.001","8.882","0.001","8.512","0.001","90","","109.89","0.01","90","","716.48","0.14","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-methyl-8-oxa-16-thia-3,17-diazabicyclo[12.2.1]heptadeca-(Z,E)- 1(17),10,12,14-tetraene-4,9-dione","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C28 H32 N4 O6 S2 -","2","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.71073","MoKα","","0.035","0.03","","","0.068","0.07","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012870","6.859","0.0018","9.273","0.002","7.925","0.002","90","","114.082","0.005","90","","460.2","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-diaqua-dichloro-(μ-1,4-dioxane-O,O')-iron(II)","","- C4 H12 Cl2 Fe O4 -","- C4 H12 Cl2 Fe O4 -","- C8 H24 Cl4 Fe2 O8 -","2","0.5","FR1377","Speer Jr, Richard L.; Pinkerton, A. Alan","<i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2002","58","8","m441","m442","10.1107/S0108270102010508","","","0.71073","MoKα","","0.0381","0.0348","","","0.0908","0.0935","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012871","15.153","0.006","9.386","0.003","17.122","0.006","90","","93.629","0.014","90","","2430.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalene-1-acetic acid monohydrate","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","2","FR1380","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-(2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalen-1-yl)acetic acid: hydrogen-bonding pattern of the monohydrate of an unsaturated bicyclic γ-keto acid","Acta Crystallographica Section C","2002","58","8","o491","o493","10.1107/S0108270102011526","","","0.71073","MoKα","","0.12","0.055","","","0.113","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012872","11.78","0.002","6.906","0.001","18.823","0.004","90","","103.88","0.03","90","","1486.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(Trichloroacetylimino)acridine monohydrate","","- C15 H11 Cl3 N2 O2 -","- C15 H11 Cl3 N2 O2 -","- C60 H44 Cl12 N8 O8 -","4","1","GD1205","Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(Trichloroacetylimino)acridine monohydrate","Acta Crystallographica Section C","2002","58","8","o460","o462","10.1107/S0108270102010399","","","0.71073","MoKα","","0.1903","0.0512","","","0.1463","0.1941","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012873","11.341","0.002","20.965","0.004","12.334","0.002","90","","117.8","0.03","90","","2594.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","melaminium phosphate hydrate","hexakis(2,4,6-triamino-1,3,5-triazin-1-ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","","- C18 H59 N36 O24 P5 -","- C18 H59 N36 O24 P5 -","- C36 H118 N72 O48 P10 -","2","1","GD1207","Janczak, Jan; Perpétuo, Genivaldo Julio","Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate","Acta Crystallographica Section C","2002","58","8","o455","o459","10.1107/S0108270102010521","","","0.71073","MoKα","","0.044","0.03","","","0.062","0.067","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012874","17.929","0.0012","17.929","0.0012","5.2196","0.0005","90","","90","","90","","1677.8","0.2","105","2","293","2","","","","","","","","4","I 4","I 4","79","","N-(L-2-aminobutyryl)-L-alanine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C56 H112 N16 O24 -","8","1","GD1209","Görbitz, Carl Henrik","<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.081","0.079","","","0.179","0.18","","","","","","1.267","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012875","15.4292","0.0005","5.4602","0.0002","18.132","0.0006","90","","113.505","0.001","90","","1400.81","0.08","105","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(L-alanylamino)-L-butyric acid","","- C7 H14.66 N2 O3.33 -","- C7 H14.6667 N2 O3.33333 -","- C42 H88 N12 O20 -","6","3","GD1209","Görbitz, Carl Henrik","<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.057","0.037","","","0.071","0.074","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012876","17.555","0.002","11.708","0.002","16.696","0.008","90","","92.43","0.03","90","","3428.5","1.8","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trimethorprim formate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium formate","","- C15 H20 N4 O5 -","- C15 H20 N4 O5 -","- C120 H160 N32 O40 -","8","1","GD1211","Umadevi, Balakrishnan; Prabakaran, Ponraj; Muthiah, Packianathan Thomas","A pseudo-quadruple hydrogen-bonding motif consisting of six N—H···O hydrogen bonds in trimethoprim formate","Acta Crystallographica Section C","2002","58","8","o510","o512","10.1107/S0108270102011150","","","1.54178","CuKα","","0.065","0.061","","","0.161","0.166","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012877","27.277","0.005","6.439","0.001","19.675","0.004","90","","94.06","0.03","90","","3447","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium","","- C38 H48 Cd N2 Si2 -","- C38 H48 Cd N2 Si2 -","- C152 H192 Cd4 N8 Si8 -","4","0.5","GD1214","Strohmann, Carsten; Schildbach, Daniel","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium","Acta Crystallographica Section C","2002","58","8","m447","m449","10.1107/S0108270102011307","","","0.71073","MoKα","","0.043","0.039","","","0.1","0.103","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012878","27.215","0.005","6.41","0.001","19.576","0.004","90","","93.38","0.03","90","","3409.1","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[diphenyl(piperidinomethyl)silyl]methyl}magnesium","","- C38 H48 Mg N2 Si2 -","- C38 H48 Mg N2 Si2 -","- C152 H192 Mg4 N8 Si8 -","4","0.5","GD1214","Strohmann, Carsten; Schildbach, Daniel","Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium","Acta Crystallographica Section C","2002","58","8","m447","m449","10.1107/S0108270102011307","","","0.71073","MoKα","","0.058","0.044","","","0.109","0.115","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012879","8.6089","0.0001","13.205","0.0002","13.9083","0.0002","90","","90","","90","","1581.1","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","epoxy dodecane","(1S,3R,8S,9S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]- 9,10-epoxydodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.059","0.042","","","0.133","0.166","","","","","","1.198","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012880","8.9545","0.0004","10.6231","0.0006","9.0858","0.0006","90","","109.497","0.004","90","","814.72","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dodec-9-one","(1S,3R,8S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec- 9-one","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.06","0.051","","","0.152","0.164","","","","","","1.234","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012881","11.4923","0.0006","7.9061","0.0004","14.3117","0.0007","90","","94.335","0.001","90","","1296.63","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitrophenyl 4-nitrophenyl disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","1","GG1120","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Nitrophenyl 4-nitrophenyl disulfide","Acta Crystallographica Section C","2002","58","8","o485","o486","10.1107/S0108270102011344","","","0.71073","MoKα","","0.068","0.039","","","0.094","0.105","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012882","11.4056","0.0003","8.7364","0.0003","12.8357","0.0005","90","","109.005","0.0012","90","","1209.28","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.035","0.026","","","0.05","0.053","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012883","7.9024","0.0005","28.7265","0.0015","11.3019","0.0006","90","","90","","90","","2565.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C104 H88 I8 N16 O16 -","8","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.032","0.023","","","0.069","0.083","","","","","","1.211","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012884","20.5882","0.0014","6.4413","0.0006","11.7354","0.0006","90","","91.004","0.005","90","","1556","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-Hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide methanol hemisolvate","","- C16.5 H20 Br N O1.5 -","- C16.5 H18 Br N O1.5 -","- C66 H72 Br4 N4 O6 -","4","1","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0297","0.0275","","","0.079","0.0809","","","","","","1.058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012885","11.097","0.002","11.742","0.002","21.829","0.004","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0496","0.0334","","","0.0918","0.0992","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012886","11.177","0.0014","12.0378","0.0018","12.7533","0.0009","90","","90","","90","","1715.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-sparteine zinc(II) dibromide","dibromo[(-)-sparteine-N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C60 H104 Br8 N8 Zn4 -","4","1","LN1140","Lee, Yong-Min; Kang, Sung Kwon; Kim, Young-Inn; Choi, Sung-Nak","Dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2002","58","8","m453","m454","10.1107/S0108270102011988","","","0.71073","MoKα","","0.0961","0.0526","","","0.0919","0.1043","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012887","8.52","0.002","12.095","0.002","22.323","0.005","90","","90","","90","","2300.4","0.8","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (3S,6R,9R)-(5-oxo-3-{N-[1(R)-phenylethyl]carbamoyl}- 1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate","","- C22 H33 N3 O5 -","- C22 H33 N3 O5 -","- C88 H132 N12 O20 -","4","1","LN1142","Soave, Raffaella; Destro, Riccardo","<i>tert</i>-Butyl (3<i>S</i>,6<i>R</i>,9<i>R</i>)-(5-oxo-3-{[1(<i>R</i>)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95K","Acta Crystallographica Section C","2002","58","8","o507","o509","10.1107/S0108270102011538","","","0.71073","MoKα","","0.0489","0.0477","","","0.1081","0.1087","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012888","16.608","0.002","8.357","0.001","19.647","0.005","90","","93.3","0.01","90","","2722.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate","","- C27 H26 Cl2 N O5 P S -","- C27 H26 Cl2 N O5 P S -","- C108 H104 Cl8 N4 O20 P4 S4 -","4","1","NA1565","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate","Acta Crystallographica Section C","2002","58","8","o450","o454","10.1107/S0108270102009587","","","0.71069","MoKα","","0.11","0.059","","","0.15","0.181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012889","16.837","0.001","8.323","0.001","19.611","0.001","90","","104.11","0.01","90","","2665.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diethyl {3-[β-(4-bromophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate","","- C27 H27 Br N O5 P S -","- C27 H27 Br N O5 P S -","- C108 H108 Br4 N4 O20 P4 S4 -","4","1","NA1565","Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim","Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate","Acta Crystallographica Section C","2002","58","8","o450","o454","10.1107/S0108270102009587","","","0.71073","MoKα","","0.136","0.05","","","0.118","0.144","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012890","7.306","0.001","15.247","0.003","13.014","0.002","90","","91.1","0.03","90","","1449.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","VB-2","Methyl 3-deoxy-2-S-methylmercurio-2-thio-β-D-manno-2-octulosonate-(2,6)","","- C10 H18 Hg O7 S -","- C10 H16 Hg O7 S -","- C40 H64 Hg4 O28 S4 -","4","2","OB1066","Belakhov, Valery; Botoshansky, Mark; Baasov, Timor","Methyl 2,3-dideoxy-2-<i>S</i>-methylmercurio-2-thio-β-<small>D</small>-<i>manno</i>-oct-2-ulopyranosonate-(2,6)","Acta Crystallographica Section C","2002","58","8","m450","m452","10.1107/S010827010201123X","","","0.7107","MoKα","","0.069","0.064","","","0.165","0.172","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012891","12.1194","0.0014","10.2869","0.0008","12.5048","0.0016","90","","115.864","0.008","90","","1402.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2'-hydroxyl-4''-dimethylaminochalcone","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua","2'-Hydroxyl-4''-dimethylaminochalcone","Acta Crystallographica, Section C","2002","58","","o445","o446","10.1107/S0108270102010247","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012892","12.924","0.001","11.412","0.001","17.084","0.001","90","","109.18","0.01","90","","2379.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,10-phenanthroline-κ^2^N,N')(thiosulfato-κ^2^O:S)manganese(II) methanol solvate","","- C25 H20 Mn N4 O4 S2 -","- C25 H16 Mn N4 O4 S2 -","- C100 H64 Mn4 N16 O16 S8 -","4","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.058","0.044","","","0.119","0.125","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012893","15.38","0.0012","7.0779","0.0005","30.148","0.002","90","","90","","90","","3281.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S]","","- C14 H16 Mn N2 O5 S2 -","- C14 H16 Mn N2 O5 S2 -","- C112 H128 Mn8 N16 O40 S16 -","8","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.077","0.041","","","0.078","0.087","","","","","","0.853","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012894","9.812","0.002","11.141","0.001","11.443","0.002","82.47","0.01","77.56","0.01","89.46","0.01","1210.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","2","","Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine","(1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds","Acta Crystallographica, Section C","2002","58","","o474","o476","10.1107/S0108270102010843","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2012895","20.191","0.002","13.4041","0.0014","12.1408","0.0014","90","","105.554","0.008","90","","3165.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetra-n-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C22 H36 N Ni S10 -","- C22 H36 N Ni S10 -","- C88 H144 N4 Ni4 S40 -","4","0.5","SK1555","Liu, Guoqun; Xue, Gang; Yu, Wentao; Xu, Wen","Tetra-<i>n</i>-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)","Acta Crystallographica Section C","2002","58","8","m436","m438","10.1107/S0108270102010764","","","0.71073","MoKα","","0.095","0.059","","","0.14","0.157","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012896","11.366","0.0002","14.4438","0.0002","17.6675","0.0002","78.148","0.001","87.016","0.001","75.485","0.001","2748.01","0.07","120","2","293","2","","","","","","","","8","P 1","P 1","1","","(5,10,15,20-Tetraphenylporphyrinato-κ^4^N)bis(L-valine-κN methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C58 H56 Cl2 F3 Fe N6 O7 S -","- C116 H112 Cl4 F6 Fe2 N12 O14 S2 -","2","2","SK1557","Kobeissi, Marwan; Toupet, Loic; Simonneaux, Gerard","(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)bis(<small>L</small>-valine-κ<i>N</i> methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate","Acta Crystallographica Section C","2002","58","8","m443","m444","10.1107/S0108270102011605","","","0.71069","MoKα","","0.09","0.049","","","0.113","0.133","","","","","","0.993","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012897","9.7633","0.0004","10.9896","0.0004","16.621","0.0007","90","","90","","90","","1783.35","0.12","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino [2,3-d]oxazole","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","SK1563","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole","Acta Crystallographica Section C","2002","58","8","o477","o479","10.1107/S0108270102011083","","","0.71073","MoKα","","0.083","0.052","","","0.109","0.122","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012898","12.4812","0.0003","14.3317","0.0001","18.5727","0.0003","102.607","0.001","99.511","0.001","94.529","0.001","3174.64","0.1","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl- 9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d]oxazole","","- C43 H27 N O5 -","- C43 H27 N O5 -","- C172 H108 N4 O20 -","4","2","SK1563","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole","Acta Crystallographica Section C","2002","58","8","o477","o479","10.1107/S0108270102011083","","","0.71073","MoKα","","0.207","0.073","","","0.154","0.194","","","","","","0.748","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012899","14.7686","0.0003","14.7686","0.0003","13.1319","0.0003","90","","90","","90","","2864.22","0.11","160","1","160","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetraphenylarsonium tetraiodothallate(III)","","- C24 H20 As I4 Tl -","- C24 H20 As I4 Tl -","- C96 H80 As4 I16 Tl4 -","4","0.25","SK1564","Linden, Anthony; James, Bruce D.","Tetraphenylarsonium tetraiodothallate(III)","Acta Crystallographica Section C","2002","58","8","m439","m440","10.1107/S0108270102010636","","","0.71073","MoKα","","0.0416","0.0307","","","0.073","0.0776","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012900","14.1042","0.0005","7.056","0.0003","16.4004","0.0007","90","","90.113","0.0018","90","","1632.15","0.11","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,4-diazoniabicyclo[2.2.2]octane-N-[(hydroxyphosphinato)methyl]iminiodiacetate -water (1/1/1.5","","- C11 H25 N3 O8.5 P -","- C11 H25 N3 O8.5 P -","- C44 H100 N12 O34 P4 -","4","1","SK1565","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","Self-assembled hydrogen-bonded bilayers in 1,4-diazabicyclo[2.2.2]octane‒<i>N</i>-(phosphonomethyl)iminodiacetic acid‒water (1/1/1.5)","Acta Crystallographica Section C","2002","58","8","o467","o469","10.1107/S0108270102010648","","","0.71073","MoKα","","0.055","0.038","","","0.088","0.096","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012901","4.8066","0.0003","9.5179","0.0006","6.1346","0.0004","90","","107.911","0.004","90","","267.05","0.03","292","2","292","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2-(hydroxymethyl)-1,2-propanediol","","- C4 H10 O3 -","- C4 H10 O3 -","- C8 H20 O6 -","2","0.5","SK1567","Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.","Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","Acta Crystallographica Section C","2002","58","8","o499","o502","10.1107/S0108270102011800","","","0.71073","MoKα","","0.0483","0.0361","","","0.0946","0.103","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012902","11.6928","0.0011","5.661","0.0005","21.0034","0.0019","90","","92.7","0.002","90","","1388.7","0.2","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","","- C11 H22 N2 O8 -","- C11 H22 N2 O8 -","- C44 H88 N8 O32 -","4","0.5","SK1567","Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.","Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide","Acta Crystallographica Section C","2002","58","8","o499","o502","10.1107/S0108270102011800","","","0.71073","MoKα","","0.0633","0.0481","","","0.1482","0.1874","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012903","29.457","0.004","14.06","0.002","14.703","0.002","90","","112.518","0.005","90","","5625.2","1.4","90","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H72 Co2 N10 S8 -","- C48 H72 Co2 N10 S8 -","- C192 H288 Co8 N40 S32 -","4","0.5","TA1380","Mochida, Tomoyuki; Takazawa, Kousuke; Matsushita, Michio M.; Sugawara, Tadashi","Bis(tetra-<i>n</i>-butylammonium) bis(μ-1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)]","Acta Crystallographica Section C","2002","58","8","m431","m433","10.1107/S0108270102010430","","","0.7107","MoKα","","","0.045","","","","0.067","","","","","","1.437","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012904","7.9459","0.0013","7.9698","0.0012","20.111","0.003","80.527","0.003","84.183","0.003","67.291","0.003","1157.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N10 S2 -","- C22 H20 Co N10 S2 -","- C44 H40 Co2 N20 S4 -","2","1","TR1029","Cai, Chen-Xin; Tian, Yun-Qi; Li, Yi-Zhi; You, Xiao-Zeng","The mononuclear cobalt(II) complex Co^II^(DMBDIZ)~2~(NCS)~2~, where DMBDIZ is 2,6-dimethylbenzo[1,2-<i>d</i>:4,5-<i>d</i>']diimidazole","Acta Crystallographica Section C","2002","58","8","m459","m460","10.1107/S0108270102011423","","","0.71073","MoKα","","0.0826","0.0558","","","0.1165","0.1273","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012905","8.9874","0.0002","11.163","0.0002","13.1879","0.0003","99.1532","0.0008","95.0138","0.0009","95.729","0.002","1292.52","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II)","","- C26 H22 N4 O8 S2 Zn -","- C26 H22 N4 O8 S2 Zn -","- C52 H44 N8 O16 S4 Zn2 -","2","1","TR1032","Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands","Acta Crystallographica Section C","2002","58","8","m427","m430","10.1107/S0108270102010491","","","0.71073","MoKα","","0.0441","0.0336","","","0.0762","0.0805","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012906","8.7516","0.0001","11.4547","0.0001","13.5442","0.0002","99.8079","0.0006","96.5191","0.0005","95.1327","0.0005","1321.03","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-pyridylmethanol)bis(saccharinato)cadmium(II)","","- C26 H22 Cd N4 O8 S2 -","- C26 H22 Cd N4 O8 S2 -","- C52 H44 Cd2 N8 O16 S4 -","2","1","TR1032","Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.","Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands","Acta Crystallographica Section C","2002","58","8","m427","m430","10.1107/S0108270102010491","","","0.71073","MoKα","","0.0308","0.0274","","","0.0648","0.0664","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012907","7.9749","0.0002","8.0952","0.0003","8.1395","0.0003","69.3082","0.0018","66.657","0.002","67.3547","0.0015","432.59","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diiodo-4-nitrophenol","","- C6 H3 I2 N O3 -","- C6 H3 I2 N O3 -","- C12 H6 I4 N2 O6 -","2","1","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.035","0.032","","","0.096","0.115","","","","","","1.169","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012908","8.0608","0.0009","12.4501","0.0014","11.679","0.0013","90","","90","","90","","1172.1","0.2","292","2","292","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,6-Diiodo-4-nitrophenyl acetate","","- C8 H5 I2 N O4 -","- C8 H5 I2 N O4 -","- C32 H20 I8 N4 O16 -","4","0.5","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.057","0.041","","","0.103","0.112","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012909","15.2372","0.0003","16.2672","0.0004","8.3262","0.0002","90","","99.2039","0.0015","90","","2037.22","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-Diiodo-4-nitroanisole","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C56 H40 I16 N8 O24 -","8","1","TR1033","Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2002","58","8","o463","o466","10.1107/S0108270102010776","","","0.71073","MoKα","","0.038","0.033","","","0.074","0.077","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012910","8.5183","0.0006","10.2278","0.0008","11.3272","0.0009","66.635","0.001","71.387","0.001","82.976","0.001","858.54","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","meso-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(3-carboxy-5-nitrobenzoate)","","- C32 H46 N6 O12 -","- C32 H46 N6 O12 -","- C32 H46 N6 O12 -","1","0.5","TR1034","MacLean, Elizabeth J.; Teat, Simon J.; Farrell, Dorcas M. M.; Ferguson, George; Glidewell, Christopher","The salt-type 1:2 adduct of <i>meso</i>-5,5,7,12,12,14-hexa-<i>C</i>-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational isomers of [(tet-a)H~2~]^2+^","Acta Crystallographica Section C","2002","58","8","o470","o473","10.1107/S0108270102010958","","","0.6867","synchrotron","","0.069","0.062","","","0.16","0.165","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012911","9.15","0.001","9.491","0.001","16.839","0.002","83.01","0.01","85.26","0.01","76.39","0.01","1408.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazolo[3,4-d]pyrimidine","1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylthio-4,5-dihydro-1H-pyrazolo [3,4-d]pyrimidine-4-one)","","- C29 H28 N8 O2 S2 -","- C29 H28 N8 O2 S2 -","- C58 H56 N16 O4 S4 -","2","1","VJ1169","Avasthi, Kamlakar; Tewari, Ashish; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups","Acta Crystallographica Section C","2002","58","8","o494","o495","10.1107/S0108270102012039","","","0.71073","MoKα","","0.083","0.047","","","0.103","0.121","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012912","15.368","0.003","6.22","0.0012","23.142","0.005","90","","90.44","0.03","90","","2212.1","0.8","295","","295","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","0.5","AV1111","Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","Acta Crystallographica Section C","2002","58","9","o549","o550","10.1107/S0108270102012945","","","0.71073","MoKα","","0.098","0.033","","","0.08","0.092","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012913","10.3406","0.0015","10.3406","0.0015","20.402","0.003","90","","90","","90","","2181.5","0.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II) hypophosphite","hexaaquacobalt(II) bis(hypophosphite)","","- Co H16 O10 P2 -","- Co H16 O10 P2 -","- Co8 H128 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.054","0.037","","","0.084","0.093","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012914","10.3111","0.0013","10.3111","0.0013","20.346","0.003","90","","90","","90","","2163.2","0.5","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II)/nickel(II) hypophosphite","hexaaquacobalt(II)/nickel(II) (0.5/0.5) bis(hypophosphite)","","- Co0.5 H16 Ni0.5 O10 P2 -","- Co0.5 H16 Ni0.5 O10 P2 -","- Co4 H128 Ni4 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.033","0.021","","","0.067","0.073","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012915","9.0193","0.0001","20.6107","0.0002","13.6609","0.0003","90","","104.372","0.001","90","","2460.01","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O12 -","- C24 H16 N6 O12 -","- C96 H64 N24 O48 -","4","1","AV1113","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai","The ternary complex 4-(2-pyridyl)pyridinium‒3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid (1/1/1)","Acta Crystallographica Section C","2002","58","9","o589","o590","10.1107/S0108270102013100","","","0.71073","MoKα","","0.0748","0.0592","","","0.1369","0.1443","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012916","10.7999","0.0001","9.2851","0.0001","18.7949","0.0003","90","","90","","90","","1884.72","0.04","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino [2,3-d]thiazole","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","AV1114","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole","Acta Crystallographica Section C","2002","58","9","o543","o544","10.1107/S0108270102013112","","","0.71073","MoKα","","0.0606","0.0494","","","0.1146","0.1301","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012917","6.387","0.0003","11.615","0.0008","6.884","0.0003","90","","105.1","0.003","90","","493.06","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","potassium vanadium tellurite","","- K O5 Te V -","- K O5 Te V -","- K4 O20 Te4 V4 -","4","1","BR1380","Rozier, Patrick; Vendier, Laure; Galy, Jean","KVTeO~5~ and a redetermination of the Na homologue","Acta Crystallographica Section C","2002","58","9","i111","i113","10.1107/S0108270102011708","","","0.71073","MoKα","","0.047","0.033","","0.068","","0.063","","","1.04","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012918","5.884","0.0002","11.376","0.0003","6.819","0.0002","90","","103.068","0.0017","90","","444.62","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium vanadium tellurite","","- Na O5 Te V -","- Na O5 Te V -","- Na4 O20 Te4 V4 -","4","1","BR1380","Rozier, Patrick; Vendier, Laure; Galy, Jean","KVTeO~5~ and a redetermination of the Na homologue","Acta Crystallographica Section C","2002","58","9","i111","i113","10.1107/S0108270102011708","","","0.71073","MoKα","","0.019","0.018","","0.044","","0.043","","","1.074","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012919","3.838","0.0006","3.838","0.0006","29.145","0.007","90","","90","","90","","429.31","0.14","293","2","293","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 -","- Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 -","- Ba1.74 Ca1.28 Cu4 Hg1.58 O15.12 Sr2.98 Tl2.42 -","2","0.0625","BR1382","Valldor, Martin; Bryntse, Ingrid; Morawski, Andrzej","The superconductor (Tl,Hg,Ca)~2~(Ba,Sr)~2~(Ca,Sr,Tl)Cu~2~O~7.6~","Acta Crystallographica Section C","2002","58","9","i126","i128","10.1107/S0108270102013148","","","0.71073","MoKα","","0.0292","0.0204","","","0.0202","0.0208","","","","2.29","2.29","2.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012920","9.3072","0.0005","28.7064","0.0014","9.6152","0.0003","90","","93.401","0.001","90","","2564.4","0.2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H6 Na10 O29 S6 U -","- H6 Na10 O29 S6 U -","- H24 Na40 O116 S24 U4 -","4","1","BR1383","Burns, Peter C.; Hayden, Leslie A.","A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~·3H~2~O","Acta Crystallographica Section C","2002","58","9","i121","i123","10.1107/S0108270102011812","","","0.71073","MoKα","","","0.019","","","","0.052","","","","","","1.048","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2012921","12.1856","0.0005","4.3869","0.0002","11.8687","0.0005","90","","90","","90","","634.47","0.05","153","2","153","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","Dineodymium tritelluride","","- Nd2 Te3 -","- Nd2 Te3 -","- Nd8 Te12 -","4","0.5","BR1384","Ijjaali, Ismail; Ibers, James A.","Dineodymium tritelluride, Nd~2~Te~3~","Acta Crystallographica Section C","2002","58","9","i124","i125","10.1107/S0108270102012635","","","0.71073","MoKα","","0.02","0.02","","","0.046","0.046","","","","","","1.407","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012922","7.5493","0.0001","8.9297","0.0002","10.5701","0.0002","78.045","0.001","82.912","0.001","82.828","0.001","688.15","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","caesium tetrasilver dizinc thioyanate","caesium tetrasilver dizinc nonathiocyanate","","- C9 Ag4 Cs N9 S9 Zn2 -","- C9 Ag4 Cs N9 S9 Zn2 -","- C9 Ag4 Cs N9 S9 Zn2 -","1","0.5","BR1385","Günes̨, Minna; Valkonen, Jussi","Cs[Ag~4~Zn~2~(SCN)~9~]","Acta Crystallographica Section C","2002","58","9","i119","i120","10.1107/S0108270102013136","","","0.71073","MoKα","","","0.049","","","","0.114","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012923","9.9826","0.0001","9.504","0.0002","25.079","0.001","90","","90.667","0.005","90","","2379.2","0.11","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 5-[2-(2-aminophenylimino)-2-phenylethylidene]- 4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","","- C25 H21 Cl N4 O2 S -","- C25 H21 Cl N4 O2 S -","- C100 H84 Cl4 N16 O8 S4 -","4","1","DN1014","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","Acta Crystallographica Section C","2002","58","9","o585","o588","10.1107/S0108270102012647","","","0.71073","MoKα","","0.049","0.042","","","0.123","0.145","","","","","","1.228","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012924","9.7619","0.0002","10.7465","0.0003","12.1924","0.0002","87.137","0.002","83.151","0.002","75.469","0.001","1229.04","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-{2-[2-(methylamino)phenylimino]-2-phenylethylidene}- 4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","","- C26 H23 N5 O4 S -","- C26 H23 N5 O4 S -","- C52 H46 N10 O8 S2 -","2","1","DN1014","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate","Acta Crystallographica Section C","2002","58","9","o585","o588","10.1107/S0108270102012647","","","0.71073","MoKα","","0.058","0.043","","","0.134","0.163","","","","","","1.172","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012925","8.2337","0.0001","30.7435","0.0003","30.3142","0.0002","90","","93.27","0.001","90","","7661.02","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Chlorotris(2,4,6-trimethylphenyl)tin(IV)","","- C27 H33 Cl Sn -","- C27 H33 Cl Sn -","- C324 H396 Cl12 Sn12 -","12","3","FG1654","Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate","Acta Crystallographica Section C","2002","58","9","m466","m468","10.1107/S0108270102012362","","","1.54178","CuKα","","0.08","0.049","","0.111","","0.101","","","0.939","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012926","8.2564","0.0001","16.8363","0.0001","19.5759","0.0001","94.996","0.001","96.568","0.001","90.539","0.001","2692.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trimesityl tin chloride ethanol hemisolvate","Chlorotris(2,4,6-trimethylphenyl)tin(IV) ethanol hemisolvate","","- C28 H36 Cl O0.5 Sn -","- C28 H36 Cl O0.5 Sn -","- C112 H144 Cl4 O2 Sn4 -","4","2","FG1654","Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate","Acta Crystallographica Section C","2002","58","9","m466","m468","10.1107/S0108270102012362","","","1.54178","CuKα","","0.07","0.046","","","0.107","0.115","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012927","8.735","0.002","9.526","0.002","10.605","0.003","90","","91","0.02","90","","882.3","0.4","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","benzyl 2-hydroxo-3,4-di-O-acetyl-β-D-fucopyranoside","","- C17 H22 O7 -","- C17 H22 O7 -","- C34 H44 O14 -","2","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.04","","","","0.13","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012928","8.901","0.001","14.261","0.001","25.583","0.001","90","","90","","90","","3247.4","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)- (1→2)-3,4-O-isopropylidene-β-D-fucopyranoside","","- C33 H40 O12 -","- C33 H40 O12 -","- C132 H160 O48 -","4","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.041","","","","0.138","","","","","","0.89","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012929","7.2391","0.0014","17.2093","0.0011","12.3461","0.001","90","","98.066","0.01","90","","1522.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12)","2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12)","","- C9 H18 B10 S -","- C9 H18 B10 S -","- C36 H72 B40 S4 -","4","1","FR1379","Kivekäs, Raikko; Flores, Miquel Angles; Viñas, Clara; Sillanpää, Reijo","2-Methyl-1-phenylsulfanyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2002","58","9","o570","o571","10.1107/S0108270102012982","","","0.71069","MoKα","","0.104","0.05","","","0.116","0.135","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012930","12.058","0.002","7.054","0.001","24.398","0.005","90","","90","","90","","2075.2","0.6","90","0.2","90","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.058","0.042","","","0.104","0.112","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012931","17.779","0.004","5.535","0.001","10.652","0.002","90","","90","","90","","1048.2","0.4","90","0.2","90","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.035","0.031","","","0.065","0.067","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012932","8.4545","0.0005","12.5846","0.0008","8.4726","0.0005","90","","116.269","0.003","90","","808.36","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-methylphenol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0632","0.0433","","","0.1016","0.1109","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012933","4.6556","0.0005","14.593","0.0015","12.4616","0.0009","90","","96.658","0.004","90","","840.92","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-methoxyphenol","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0612","0.0419","","","0.098","0.1087","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012934","11.1451","0.0011","13.5515","0.0012","8.1935","0.0009","90","","97.486","0.006","90","","1226.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-bis(hydroxymethyl)-4-phenoxyphenol","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.1376","0.0687","","","0.1398","0.1713","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012935","7.0604","0.0004","16.4995","0.0011","25.6678","0.0017","90","","90","","90","","2990.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-bis(hydroxymethyl)-4-[1-(4-methoxyphenyl)-1-methylethyl]phenol","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0637","0.0447","","","0.1082","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012936","10.1338","0.0009","11.996","0.003","13.421","0.002","67.496","0.017","76.903","0.011","67.574","0.011","1387.1","0.5","298","2","293","","","","","","","","","4","P -1","-P 1","2","","3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide","","- C27 H39 I2 N3 -","- C27 H39 I2 N3 -","- C54 H78 I4 N6 -","2","1","GD1217","Puliti, Raffaella; Mattia, Carlo Andrea; Mazzarella, Lelio","3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide","Acta Crystallographica Section C","2002","58","9","o582","o584","10.1107/S0108270102013768","","","1.54178","CuKα","","0.072","0.05","","","0.142","0.16","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012937","14.8727","0.0007","9.4421","0.0005","18.5973","0.0009","90","","99.348","0.001","90","","2576.9","0.2","294","2","294","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Platinum(IV)tetra(p-methoxyphenyl)porphyrin dibromide","Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^N]platinum(IV) chloroform/acetonitrile solvate","","- C50.034 H38.603 Br2 Cl2.688 N4.569 O4 Pt -","- C52.068 H41.206 Br2 Cl5.376 N5.138 O4 Pt -","- C104.136 H82.412 Br4 Cl10.752 N10.276 O8 Pt2 -","2","0.5","GD1222","Tate, John R.; Kantardjieff, Katherine; Crundwell, Guy; Mink, Larry M.","Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]platinum(IV) chloroform acetonitrile solvate","Acta Crystallographica Section C","2002","58","9","m485","m486","10.1107/S0108270102013859","","","0.71073","MoKα","","0.069","0.04","","","0.103","0.12","","","","","","0.817","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012938","7.2535","0.0008","10.3652","0.0012","10.5626","0.0012","99.262","0.002","94.862","0.002","105.844","0.002","747.05","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-guanidinoacetic acid-κ^2^O:O')bis[(nitrato-κ^2^O)copper(II)]","","- C12 H28 Cu2 N16 O20 -","- C12 H28 Cu2 N16 O20 -","- C12 H28 Cu2 N16 O20 -","1","0.5","GG1121","Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle","Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2002","58","9","m471","m474","10.1107/S0108270102013227","","","0.71073","MoKα","","0.0535","0.0417","","","0.1102","0.115","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012939","6.836","0.0012","7.6404","0.0014","8.7765","0.0016","82.37","0.02","75.05","0.02","79.46","0.02","433.63","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","TEX","4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane","","- C6 H6 N4 O8 -","- C6 H6 N4 O8 -","- C12 H12 N8 O16 -","2","1","GG1130","Karaghiosoff, Konstantin; Klapötke, Thomas M.; Michailovski, Alexej; Holl, Gerhard","4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane (TEX): a nitramine with an exceptionally high density","Acta Crystallographica Section C","2002","58","9","o580","o581","10.1107/S0108270102014774","","","0.71073","MoKα","","0.044","0.034","","","0.093","0.099","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012940","5.1865","0.0004","5.1865","0.0004","23.4881","0.0008","90","","90","","120","","547.18","0.06","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","bis[lead(II) carbonate] barium difluoride","","- C2 Ba F2 O6 Pb2 -","- C2 Ba F2 O6 Pb2 -","- C6 Ba3 F6 O18 Pb6 -","3","0.0833333","IZ1024","Weil, Matthias","The ordered hydrocerussite-type structure of (PbCO~3~)~2~·BaF~2~","Acta Crystallographica Section C","2002","58","9","i132","i134","10.1107/S0108270102013884","","","0.71073","MoKα","","0.02","0.02","","","0.044","0.044","","","","","","1.336","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012941","6.8195","0.0007","7.953","0.001","16.387","0.002","90","","99.811","0.008","90","","875.76","0.18","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cadmium acetylenedicarboxylate tetrahydrate","catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ^4^O,O':O'',O'''] monohydrate]","","- C4 H8 Cd O8 -","- C4 H8 Cd O8 -","- C16 H32 Cd4 O32 -","4","1","JZ1517","Ruschewitz, Uwe; Pantenburg, Ingo","[Cd{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first cadmium salt of acetylenedicarboxylic acid","Acta Crystallographica Section C","2002","58","9","m483","m484","10.1107/S0108270102014658","","","0.71073","MoKα","","0.028","0.02","","","0.047","0.048","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012942","5.4778","0.0006","9.8774","0.001","20.409","0.0016","98.79","0.07","94.06","0.08","99.93","0.09","1069.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate","","- C21 H37 N O2 -","- C21 H37 N O2 -","- C42 H74 N2 O4 -","2","1","LN1145","Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Ethyl 4-dodecyl-3,5-dimethyl-1<i>H</i>-pyrrole-2-carboxylate: intermolecular interactions in an amphiphilic pyrrole","Acta Crystallographica Section C","2002","58","9","o572","o574","10.1107/S0108270102013653","","","1.5418","CuKα","","0.0695","0.0474","","","0.143","0.1563","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012943","13.672","0.0008","8.0201","0.0005","14.4687","0.0009","90","","106.101","0.001","90","","1524.27","0.16","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H2(Br4TPrPc)","3,6,13,16-tetrabromo-2,7,12,17-tetrapropylporphycene","","- C32 H34 Br4 N4 -","- C32 H34 Br4 N4 -","- C64 H68 Br8 N8 -","2","0.5","OB1071","Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio","3,6,13,16-Tetrabromo-2,7,12,17-tetrapropylporphycene","Acta Crystallographica Section C","2002","58","9","o563","o564","10.1107/S0108270102013483","","","0.71073","MoKα","","0.036","0.031","","","0.079","0.082","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012944","14.0187","0.0003","10.5729","0.0002","16.0212","0.0004","90","","103.836","0.001","90","","2305.73","0.09","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(tetraethylammonium) cyclotetravanadate dihydrate","Tetrakis(tetraethylammonium) cyclo-tetra-μ-oxo-tetrakis[dioxovanadium(V)] dihydrate","","- C32 H84 N4 O14 V4 -","- C32 H84 N4 O14 V4 -","- C64 H168 N8 O28 V8 -","2","0.5","OB1072","Nakano, Hiroyuki; Ozeki, Tomoji; Yagasaki, Atsushi","(Et~4~N)~4~[V~4~O~12~]·2H~2~O","Acta Crystallographica Section C","2002","58","9","m464","m465","10.1107/S0108270102013008","","","0.71073","MoKα","","0.125","0.058","","","0.12","0.141","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012945","22.02","0.004","6.223","0.004","21.225","0.003","90","","91.61","0.01","90","","2907","2","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ca O20 -","- C24 H30 Ca O20 -","- C96 H120 Ca4 O80 -","4","0.5","OB1075","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","Bis(5-hydroxy-2-hydroxymethyl-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)bis(2-hydroxymethyl-5-oxido-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)calcium(II) tetrahydrate","Acta Crystallographica Section C","2002","58","9","m469","m470","10.1107/S0108270102013537","","","0.7107","MoKα","","","0.0476","","","","0.1516","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012946","12.748","0.002","7.476","0.003","16.657","0.002","90","","90.68","0.01","90","","1587.4","0.7","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8-Hydroxyquinaldinic acid","8-hydroxyquinolinium-2-carboxylate","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C80 H56 N8 O24 -","8","1","OB1077","Okabe, Nobuo; Muranishi, Yasunori","8-Hydroxyquinaldinic acid and its nickel(II) complex","Acta Crystallographica Section C","2002","58","9","m475","m477","10.1107/S0108270102013628","","","0.7107","MoKα","","","0.053","","","","0.197","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012947","9.237","0.001","15.865","0.003","7.2","0.001","97.63","0.01","106.95","0.01","101.9","0.01","966.4","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","bis(8-hydroxyquinoline-2-carboxylato-κ^3^O^2^,N,O^8^)nickel(II) trihydrate","","- C20 H18 N2 Ni O9 -","- C20 H18 N2 Ni O9 -","- C40 H36 N4 Ni2 O18 -","2","1","OB1077","Okabe, Nobuo; Muranishi, Yasunori","8-Hydroxyquinaldinic acid and its nickel(II) complex","Acta Crystallographica Section C","2002","58","9","m475","m477","10.1107/S0108270102013628","","","0.7107","MoKα","","","0.04","","","","0.134","","","","","","0.904","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012948","8.2712","0.0013","7.9726","0.0012","13.39","0.002","90","","90.762","0.012","90","","882.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","SK1562","Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael","The low-temperature phase of diisopropylammonium bromide","Acta Crystallographica Section C","2002","58","9","o555","o557","10.1107/S0108270102013379","","","0.71073","MoKα","","0.0532","0.0439","","","0.1095","0.114","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012949","5.3163","0.0003","8.1348","0.0004","27.259","0.002","90","","90","","90","","1178.87","0.12","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan formic acid solvate","L-2-Amino-3-(1H-indol-3-yl)-propionic acid formic acid solvate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SK1566","Hübschle, Christian B.; Dittrich, Birger; Luger, Peter","<small>L</small>-Tryptophan formic acid solvate at 183K","Acta Crystallographica Section C","2002","58","9","o540","o542","10.1107/S0108270102012489","","","0.71073","MoKα","","0.065","0.051","","","0.121","0.126","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012950","9.7451","0.0003","9.7451","0.0003","14.1764","0.0006","90","","90","","90","","1346.29","0.08","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","1,1'-di(hydrazinoethanoyl)2,2'-biimidazole monohydrate","","- C10 H16 N8 O3 -","- C10 H16 N8 O3 -","- C40 H64 N32 O12 -","4","0.5","SK1568","Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.","1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole","Acta Crystallographica Section C","2002","58","9","o565","o567","10.1107/S0108270102013458","","","0.71073","MoKα","","0.037","0.0316","","0.0798","","0.0767","","","1.118","","","1.139","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012951","10.0505","0.0005","4.9326","0.0002","15.4663","0.0007","90","","106.904","0.003","90","","733.61","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-di(hydrazinopropanoyl)-2,2'-biimidazole","","- C12 H18 N8 O2 -","- C12 H18 N8 O2 -","- C24 H36 N16 O4 -","2","0.5","SK1568","Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.","1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole","Acta Crystallographica Section C","2002","58","9","o565","o567","10.1107/S0108270102013458","","","0.71073","MoKα","","0.0495","0.0399","","0.108","","0.1009","","","1.045","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012952","13.5897","0.0001","18.7968","0.0001","10.9688","0.0001","90","","96.427","0.001","90","","2784.29","0.04","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1-pyridin-2-ylethanone-κN 4-phenylthiosemicarbazonato-κ^2^N^4^,S)manganese(II)","","- C28 H26 Mn N8 S2 -","- C28 H26 Mn N8 S2 -","- C112 H104 Mn4 N32 S8 -","4","0.5","SK1569","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; A. Sreekanth; S. Sivakumar; M. R. Pratapchandra Kurup","Bis[1-(pyridin-2-yl)ethanone-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^4^,<i>S</i>]manganese(II)","Acta Crystallographica Section C","2002","58","9","m461","m463","10.1107/S0108270102011976","","","0.71073","MoKα","","0.0738","0.0496","","","0.1241","0.145","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012953","13.4095","0.0007","8.5268","0.0006","15.0432","0.0009","90","","103.928","0.004","90","","1669.47","0.18","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(trichlorophosphino)iminium hexachloroniobate","","- Cl12 N Nb P2 -","- Cl12 N Nb P2 -","- Cl48 N4 Nb4 P8 -","4","0.5","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.038","0.0312","","","0.0773","0.0818","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012954","13.3957","0.0005","8.5165","0.0004","15.0937","0.0005","90","","103.855","0.003","90","","1671.86","0.12","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(trichlorophosphino)iminium hexachlorotantalate","","- Cl12 N P2 Ta -","- Cl12 N P2 Ta -","- Cl48 N4 P8 Ta4 -","4","0.5","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.0325","0.0272","","","0.0662","0.0694","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012955","8.9436","0.0004","9.0892","0.0004","14.2963","0.0006","91.77","0.002","105.714","0.003","107.973","0.002","1055.78","0.08","250","1","250","1","","","","","","","","4","P -1","-P 1","2","","Bis(trichlorophosphino)iminium tri-μ-chloro-bis[trichlorotitanium(IV)]","","- Cl15 N P2 Ti2 -","- Cl15 N P2 Ti2 -","- Cl30 N2 P4 Ti4 -","2","1","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.051","0.0363","","","0.0923","0.0989","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012956","18.0456","0.0004","11.4295","0.0006","15.7039","0.0005","90","","90","","90","","3239","0.2","250","1","250","1","","","","","","","","4","C m c a","-C 2ac 2","64","","Bis[bis(trichlorophosphino)iminium] di-μ-chloro-bis[tetrachlorozirconium(IV)]","","- Cl22 N2 P4 Zr2 -","- Cl22 N2 P4 Zr2 -","- Cl88 N8 P16 Zr8 -","4","","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.0419","0.0299","","","0.0703","0.0739","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012957","7.707","0.0002","16.1001","0.0003","14.3067","0.0004","90","","95.077","0.001","90","","1768.26","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N,N'-Dithiobisphthalimide‒nitrobenzene (2/1)","","- C38 H21 N5 O10 S4 -","- C38 H21 N5 O10 S4 -","- C76 H42 N10 O20 S8 -","2","1","SK1574","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio","<i>N</i>,<i>N</i>'-Dithiobisphthalimide‒nitrobenzene (2/1): a <i>Pn</i> solvate with localized solvent molecules ordered head-to-tail in channels","Acta Crystallographica Section C","2002","58","9","o551","o554","10.1107/S0108270102012830","","","0.71073","MoKα","","0.0737","0.0428","","","0.0857","0.0963","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012958","4.2626","0.0006","14.512","0.002","10.255","0.002","90","","92.272","0.011","90","","633.86","0.18","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiothymine","2,3-dihydro-5-methyl-2-thioxopyrimidin-4(1H)-one","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","SK1576","Matković-Čalogović, Dubravka; Bešić, Erim; Sanković, Krešimir","5-Methyl-2-thiouracil","Acta Crystallographica Section C","2002","58","9","o568","o569","10.1107/S010827010201315X","","","0.71073","MoKα","","0.051","0.035","","","0.098","0.106","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012959","12.2764","0.0013","7.8543","0.0009","13.6935","0.0015","90","","101.666","0.002","90","","1293.1","0.2","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydro-3,3-dimethylspiro[1H-4-oxanthracene-5,2'-oxiran]-10(5H)-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","SK1577","Ferreira, Vitor F.; Pinto, Antonio V.; Pinto, Maria C. R. F.; da Silva, Milton N.; Skakle, J. M. S.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.","2,3-Dihydro-3,3-dimethylspiro[1<i>H</i>-4-oxanthracene-5,2'-oxiran]-10(5<i>H</i>)-one","Acta Crystallographica Section C","2002","58","9","o560","o562","10.1107/S0108270102013665","","","0.71073","MoKα","","0.098","0.059","","","0.157","0.187","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012960","13.343","0.005","7.832","0.002","8.27","0.002","90","","90","","90","","864.2","0.4","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H5 Ag Cl N3 O3 -","- C5 H5 Ag Cl N3 O3 -","- C20 H20 Ag4 Cl4 N12 O12 -","4","1","TA1379","Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","Polymeric (3-amino-2-chloropyridine)nitratosilver(I)","Acta Crystallographica Section C","2002","58","9","m481","m482","10.1107/S0108270102013872","","","0.71073","MoKα","","0.043","0.034","","","0.079","0.083","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012961","14.991","0.001","10.633","0.001","15.064","0.001","90","","90","","90","","2401.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dimorphorino-2-ethylium-1-dithioate","","- C10 H16 N2 O2 S2 -","- C10 H16 N2 O2 S2 -","- C80 H128 N16 O16 S16 -","8","1","TA1383","Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji","The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate","Acta Crystallographica Section C","2002","58","9","o558","o559","10.1107/S0108270102013756","","","0.71073","MoKα","","0.0596","0.0453","","","0.0972","0.1032","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012962","14.006","0.003","12.951","0.003","15.011","0.003","90","","104.15","0.03","90","","2640.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano- 2κ^5^C-iron(III)yttrium(III)","","- C18 H30 Fe N8 O6 Y -","- C18 H30 Fe N8 O6 Y -","- C72 H120 Fe4 N32 O24 Y4 -","4","0.5","TA1385","Zhou, Bei Chuan; Kou, Hui-Zhong; He, Yi; Xiong, Ming; Wang, Ru-Ji; Li, Yadong","Tetraaqua-1κ^4^<i>O</i>-bis(ε-caprolactam-1κ<i>O</i>)-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>-pentacyano-2κ^5^<i>C</i>-iron(III)yttrium(III), a novel cyano-bridged dinuclear complex","Acta Crystallographica Section C","2002","58","9","m478","m480","10.1107/S0108270102014026","","","0.71073","MoKα","","0.064","0.044","","","0.082","0.087","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012963","5.5355","0.0011","13.56","0.003","9.6048","0.0019","90","","106.73","0.03","90","","690.4","0.3","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 Be F4 N2 -","- C3 H12 Be F4 N2 -","- C12 H48 Be4 F16 N8 -","4","1","BM1505","Gerrard, Lee A.; Weller, Mark T.","Propane-1,2-diammonium tetrafluoroberyllate","Acta Crystallographica Section C","2002","58","10","m504","m505","10.1107/S0108270102015718","","","0.71073","MoKα","","","0.03","","","","0.077","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012964","9.6977","0.0008","9.2191","0.0007","10.3008","0.0008","90","","92.624","0.007","90","","919.97","0.13","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(1'S,4aS,7R,8aR)-4a-ethyl-1-(1'-phenylethyl)octahydroquinolinium-7-ol bromide","","- C19 H30 Br N O -","- C19 H30 Br N O -","- C38 H60 Br2 N2 O2 -","2","1","BM1506","Vázquez, Edna; Galindo, Alberto; Bernès, Sylvain; Gnecco, Dino","(‒)-(1'<i>S</i>,4a<i>S</i>,7<i>R</i>,8a<i>R</i>)-4a-Ethyl-7-hydroxy-1-(1'-phenylethyl)perhydroquinolinium bromide","Acta Crystallographica Section C","2002","58","10","o591","o592","10.1107/S0108270102014725","","","0.71073","MoKα","","0.044","0.033","","","0.074","0.079","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012965","8.7343","0.0004","17.945","0.0009","28.723","0.0017","90","","90","","90","","4502","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,2'-bipyridine-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C22 H16 Cl Cu N7 O4 -","- C22 H16 Cl Cu N7 O4 -","- C176 H128 Cl8 Cu8 N56 O32 -","8","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.064","0.036","","","0.084","0.091","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012966","10.2999","0.0009","14.3808","0.0012","16.4311","0.0016","74.12","0.01","83.371","0.011","80.046","0.01","2299.7","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","μ-dicyanamido-κ^2^N^1^:N^3^-bis[bis(2,2'-bipyridine-κ^2^N,N')copper(II)] tris(perchlorate) ethanol hemisolvate","","- C43 H35 Cl3 Cu2 N11 O12.5 -","- C43 H35 Cl3 Cu2 N11 O12.5 -","- C86 H70 Cl6 Cu4 N22 O25 -","2","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.104","0.046","","","0.099","0.113","","","","","","0.837","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012967","9.5817","0.0002","9.5817","0.0002","7.829","0.0002","90","","90","","120","","622.48","0.02","293","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Tetrastrontium dimanganese copper nonaoxide","","- Cu0.91 Mn2.09 O9 Sr4 -","- Cu0.90733 Mn2.09267 O9 Sr4 -","- Cu2.72199 Mn6.278 O27 Sr12 -","3","0.5","BR1374","El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques","Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~","Acta Crystallographica Section C","2002","58","10","i138","i140","10.1107/S0108270102015639","","","0.71073","MoKα","","0.049","0.034","","","0.071","0.076","","","","1.07","1.07","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012968","6.8713","0.0004","8.8805","0.0005","4.8976","0.0003","90","","101.525","0.002","90","","292.83","0.03","295","","295","","","","","","","","","4","C 1 2/m 1","-C 2y","12","γ indium gadolinium digermanate","Indium gadolinium digermanium heptaoxide","","- Gd0.92 Ge2 In1.08 O7 -","- Gd0.92 Ge2 In1.08 O7 -","- Gd1.84 Ge4 In2.16 O14 -","2","0.25","BR1375","Juarez-Arellano, Erick-Adrian; Rosales, Ivonne; Bucio, Lauro; Orozco, Eligio","In~1.08~Gd~0.92~Ge~2~O~7~: a new member of the thortveitite family","Acta Crystallographica Section C","2002","58","10","i135","i137","10.1107/S0108270102013343","","","1.54056","CuKα~1~","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012969","21.054","0.004","9.3083","0.0018","15.551","0.004","90","","106.15","0.02","90","","2927.4","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-ene-17β-ol bromide hemihydrate","","- C32 H46 Br N2 O1.5 -","- C32 H46 Br N2 O1.5 -","- C128 H184 Br4 N8 O6 -","4","1","DE1189","Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.","3β-(1-Allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17β-ol bromide hemihydrate","Acta Crystallographica Section C","2002","58","10","o598","o599","10.1107/S0108270102013434","","","0.71073","MoKα","","0.062","0.034","","","0.072","0.089","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012970","8.5768","0.0005","9.8285","0.0009","10.7315","0.0007","96.288","0.006","92.042","0.004","106.338","0.005","860.79","0.11","299","1","299","1","","","","","","","","3","P -1","-P 1","2","","2-Methyl-1,4,5-triphenyl-1H-imidazole","","- C22 H18 N2 -","- C22 H18 N2 -","- C44 H36 N4 -","2","1","FG1661","Vázquez García, Rosa A.; Bernès, Sylvain; Gutiérrez Pérez, René; Martínez García, Marcos","2-Methyl-1,4,5-triphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2002","58","10","o619","o620","10.1107/S0108270102016220","","","0.71073","MoKα","","0.069","0.05","","","0.132","0.145","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012971","11.212","0.008","5.992","0.005","13.204","0.014","90","","110.16","0.03","90","","832.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","o-phenylenediamine phosphite","2-Aminoanilinium phosphite","","- C6 H11 N2 O3 P -","- C6 H11 N2 O3 P -","- C24 H44 N8 O12 P4 -","4","1","FR1382","Abdallah Khaoulana Idrissi; Mohamed Saadi; Mohamed Rafiq; Elizabeth M. Holt","2-Aminoanilinium phosphite","Acta Crystallographica Section C","2002","58","10","o604","o605","10.1107/S0108270102015184","","","0.71073","MoKα","","0.0715","0.0585","","","0.1535","0.1668","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012972","15.21","0.003","6.0099","0.0011","19.683","0.004","90","","96.814","0.003","90","","1786.5","0.6","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 complex of bis(4-aminophenyl)disulfide and 4-aminothiophenol","Bis(4-aminophenyl)disulfide-4-aminothiophenol (1/1)","","- C18 H19 N3 S3 -","- C18 H19 N3 S3 -","- C72 H76 N12 S12 -","4","1","FR1383","Vangala, Venu R.; Desiraju, Gautam R.; Jetti, Ram K. R.; Bläser, Dieter; Boese, Roland","A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol","Acta Crystallographica Section C","2002","58","10","o635","o636","10.1107/S0108270102012994","","","0.71073","MoKα","","0.0605","0.05","","","0.1178","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012973","8.2525","0.0007","8.2653","0.0006","13.9594","0.0006","94.191","0.006","93.879","0.006","105.293","0.006","912.24","0.11","213","2","213","2","","","","","","","","4","P -1","-P 1","2","6-acetonyldihydroavicine","1-(5-methyl-5,6-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j] phenanthridin-6-yl)acetone","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C46 H38 N2 O10 -","2","1","FR1384","Morel, Ademir F.; Gonzaga, Wellington de A.; Burrow, Robert A.; Maichle-Mössmer, Cäcilia; Strähle, Johannes","6-Acetonyldihydroavicine","Acta Crystallographica Section C","2002","58","10","o606","o607","10.1107/S0108270102015202","","","1.5418","CuKα","","0.0713","0.0444","","","0.1113","0.1249","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012974","6.0193","0.0011","8.2285","0.001","12.5811","0.0011","82.545","0.009","86","0.014","89.752","0.013","616.36","0.15","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(R)-mandelic acid (S)-alanine hemihydrate","","- C11 H16 N O5.5 -","- C11 H16 N O5.5 -","- C22 H32 N2 O11 -","2","2","FR1385","Hu, Zi-Qiang; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(<i>R</i>)-Mandelic acid (<i>S</i>)-alanine hemihydrate","Acta Crystallographica Section C","2002","58","10","o612","o614","10.1107/S0108270102015688","","","0.71073","MoKα","","0.041","0.03","","","0.079","0.084","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012975","16.2812","0.0017","10.001","0.001","12.2564","0.0013","90","","110.72","0.02","90","","1866.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tmima boric acid","Tris[(1-methylimidazol-2-yl)methyl]amine boric acid","","- C15 H24 B N7 O3 -","- C15 H24 B N7 O3 -","- C60 H96 B4 N28 O12 -","4","1","FR1390","Mashuta, Mark S.; Cheruzel, Lionel; Buchanan, Robert M.","Tris[(1-methylimidazol-2-yl)methyl]amine‒boric acid (1/1)","Acta Crystallographica Section C","2002","58","10","o629","o631","10.1107/S0108270102016542","","","0.71073","MoKα","","0.054","0.042","","","0.102","0.11","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012976","20.006","0.005","11.072","0.003","11.882","0.003","90","","98.94","0.02","90","","2600","1.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-bipyridinium-1,1'-bis(2-ethylsulfonate)-bis(hydroquinone)","","- C26 H28 N2 O10 S2 -","- C26 H28 N2 O10 S2 -","- C104 H112 N8 O40 S8 -","4","0.5","GD1224","Robinson, Paul D.; Smith, Kevin R.; Vermeulen, Lori A.","A zwitterionic viologen disulfonate‒hydroquinone charge-transfer crystal: 2,2'-(4,4'-bipyridinium-1,1'-diyl)di(ethanesulfonate)‒hydroquinone (1/2)","Acta Crystallographica Section C","2002","58","10","o632","o634","10.1107/S0108270102016219","","","0.71069","MoKα","","0.066","0.033","","","0.086","0.098","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012977","6.7584","0.0008","20.145","0.004","11.255","0.002","90","","90","","90","","1532.3","0.4","289","2","289","2","","","","","","","","4","C m c 21","C 2c -2","36","","1,4-diazoniabicyclo[2.2.2]octane bis(maleate)","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","0.5","GD1226","Cui, Rong Sun; Zhi, Min Jin","The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds","Acta Crystallographica Section C","2002","58","10","o600","o601","10.1107/S0108270102014956","","","0.71073","MoKα","","0.042","0.033","","","0.074","0.078","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012978","12.5588","0.0012","17.807","0.0012","6.9608","0.0006","90","","90.794","0.011","90","","1556.5","0.2","293","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[bis[[μ-cyano-1:2κ^2^C:N-diethylenetriamine- 2κ^3^N-copper(II)silver(I)]-μ-cyano-1:2'κ^2^C:N] dicyanosilver(I) tricyanodisilver(I)]","","- C17 H26 Ag5 Cu2 N15 -","- C17 H26 Ag5 Cu2 N15 -","- C34 H52 Ag10 Cu4 N30 -","2","0.5","GG1124","Černák, Juraj; Chomič, Jozef; Massa, Werner","Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric cation [Cu(dien)Ag(CN)~2~]~<i>n~</i>^<i>n^+</i> and the unusual [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine)","Acta Crystallographica Section C","2002","58","10","m490","m493","10.1107/S0108270102013240","","","0.71073","MoKα","","0.058","0.031","","","0.061","0.067","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012979","8.872","0.001","9.249","0.001","10.456","0.001","91.71","0.01","114.11","0.01","117.88","0.01","665.8","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-acetato-κ^3^O,O':O')bis[bis(acetato-κ^2^O,O')diaquadysprosium(III)] tetrahydrate","","- C12 H34 Dy2 O20 -","- C12 H34 Dy2 O20 -","- C12 H34 Dy2 O20 -","1","0.5","GG1129","Baggio, Ricardo; Muñoz, Juan Carlos; Perec, Mireille","Bis(μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>')bis[bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquadysprosium(III)] tetrahydrate","Acta Crystallographica Section C","2002","58","10","m498","m500","10.1107/S010827010201510X","","","0.71073","MoKα","","0.041","0.041","","","0.095","0.095","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012980","7.665","0.002","10.533","0.002","9.263","0.002","90","","98.57","0.02","90","","739.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dibenzyldithioxamide","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","0.5","GG1132","Bruno, Giuseppe; Lanza, Santo; Nicoló, Francesco; Tresoldi, Giuseppe; Rosace, Giuseppe","<i>N</i>,<i>N</i>'-Dibenzyldithiooxamide","Acta Crystallographica Section C","2002","58","10","o608","o609","10.1107/S0108270102016025","","","0.71073","MoKα","","0.0424","0.0337","","","0.0934","0.096","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012981","7.29","0.004","10.648","0.006","28.353","0.016","93.685","0.01","94.922","0.011","100.811","0.01","2147","2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","(E)-(4-hydroxyphenyl)(4-nitrophenyl)diazene","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","4","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.103","0.055","","","0.124","0.143","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012982","6.153","0.0012","7.55","0.0015","13.683","0.003","100.8","0.03","102.68","0.03","91.74","0.03","607.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-(4-methoxyphenyl)(4-nitrophenyl)diazene","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.068","0.046","","","0.128","0.144","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012983","7.4279","0.0018","12.009","0.003","19.552","0.005","86.502","0.005","80.511","0.005","87.604","0.005","1716.1","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","(E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","","- C19 H20 Br N3 O -","- C19 H20 Br N3 O -","- C76 H80 Br4 N12 O4 -","4","2","GG1133","Huang, Xinjiang; Kuhn, Genevieve H.; Nesterov, Vladimir N.; Averkiev, Boris B.; Penn, Benjamin; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","(<i>E</i>)-(4-Hydroxyphenyl)(4-nitrophenyl)diazene, (<i>E</i>)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (<i>E</i>)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene","Acta Crystallographica Section C","2002","58","10","o624","o628","10.1107/S010827010201627X","","","0.71073","MoKα","","0.161","0.047","","","0.077","0.094","","","","","","0.676","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012984","8.678","0.003","10.815","0.003","11.899","0.004","67.566","0.005","89.831","0.005","71.435","0.005","969.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","01023a","poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di-μ~3~-trifluoromethanesulfonato-lithium(I)]","","- C8 H14 F6 Li2 O9 S2 -","- C8 H14 F6 Li2 O9 S2 -","- C16 H28 F12 Li4 O18 S4 -","2","1","GG1134","Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.","Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]","Acta Crystallographica Section C","2002","58","10","m501","m503","10.1107/S0108270102015135","","","0.71073","MoKα","","0.054","0.041","","","0.107","0.116","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012985","9.545","0.004","13.871","0.006","15.589","0.007","90","","92.974","0.008","90","","2061.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[[bis(2-methoxyethyl) ether]lithium(I)]-di- μ-~3~-trifluoroacetato-dilithium(I)-μ~3~-trifluoroacatato]","","- C12 H14 F9 Li3 O9 -","- C12 H14 F8.99997 Li3 O9 -","- C48 H56 F35.9999 Li12 O36 -","4","1","GG1134","Henderson, Wesley A.; Young, Victor G. Jr; Brooks, Neil R.; Smyrl, William H.","Li^+^ cation coordination in [Li~2~(CF~3~SO~3~)~2~(diglyme)] and [Li~3~(C~2~F~3~O~2~)~3~(diglyme)]","Acta Crystallographica Section C","2002","58","10","m501","m503","10.1107/S0108270102015135","","","0.71073","MoKα","","0.035","0.026","","","0.063","0.067","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2012986","14.447","0.005","11.579","0.005","24.981","0.005","90","","95.195","0.005","90","","4162","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-tert-Butyl-N'-[(2-cyclohexylamino-5-nitrobenzene)sulfonyl]urea","","- C17 H26 N4 O5 S -","- C17 H26 N4 O5 S -","- C136 H208 N32 O40 S8 -","8","2","GG1135","Michaux, Catherine; Dogné, Jean-Michel; Norberg, Bernadette; Durant, François; Masereel, Bernard","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-(2-cyclohexylamino-5-nitrobenzenesulfonyl)urea, BM531, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition","Acta Crystallographica Section C","2002","58","10","o621","o623","10.1107/S0108270102016463","","","1.54178","CuKα","","0.079","0.047","","","0.12","0.136","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012987","10.836","0.002","12.606","0.002","8.331","0.001","93.19","0.02","99.83","0.02","109.65","0.02","1048.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate","","- H44 Na2 Ni2 O50 V10 -","- Na2 Ni2 O50 V10 -","- Na2 Ni2 O50 V10 -","1","0.5","IZ1023","Higami, Tomoyuki; Hashimoto, Masato; Okeya, Seichi","[Ni(H~2~O)~6~]~2~[Na(H~2~O)~3~]~2~[V~10~O~28~]·4H~2~O, bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate","Acta Crystallographica Section C","2002","58","10","i144","i146","10.1107/S0108270102015603","","","0.71069","MoKα","","0.146","0.058","","","0.128","0.152","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012988","8.7065","0.001","9.53","0.001","10.3274","0.001","73.35","0.018","86.9","0.02","80.5","0.02","809.69","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diammonium aqua-μ-carbonato-tri-μ-oxalatodineodymium(III) hydrate","","- C7 H12 N2 Nd2 O17 -","- C7 H12 N2 Nd2 O17 -","- C14 H24 N4 Nd4 O34 -","2","1","JZ1509","Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée","A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O","Acta Crystallographica Section C","2002","58","10","m517","m520","10.1107/S0108270102014737","","","0.7107","MoKα","","0.033","0.024","","0.082","","0.058","","","1.151","","","0.881","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012989","7.945","0.003","9.262","0.003","11.701","0.003","85.13","0.02","89.34","0.03","80.35","0.03","845.8","0.5","293","2","293","3","","","","","","","","6","P -1","-P 1","2","","Aquanitrato(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^O,N^1^,N^4^)copper(II) nitrate","","- C10 H16 Cu N6 O9 S -","- C10 H16 Cu N6 O9 S -","- C20 H32 Cu2 N12 O18 S2 -","2","1","JZ1514","Leovac, Vukadin M.; Jevtović, Violeta S.; Bogdanović, Goran A.","Transition metal complexes with thiosemicarbazide-based ligands. XLIV. Aqua(3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carboxaldehyde 3-methylisothiosemicarbazone-κ^3^<i>O</i>,<i>N</i>^1^,<i>N</i>^4^)nitratocopper(II) nitrate","Acta Crystallographica Section C","2002","58","10","m514","m516","10.1107/S010827010201586X","","","0.71073","MoKα","","0.045","0.034","","","0.09","0.095","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012990","8.7476","0.0004","15.3691","0.0006","11.0972","0.0004","90","","97.759","0.001","90","","1478.28","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaqua-μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di- μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato- κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate","","- C26 H22 Co4 N4 O18 -","- C26 H22 Co4 N4 O18 -","- C52 H44 Co8 N8 O36 -","2","0.5","JZ1519","Plater, M. John; Foreman, Mark R. St J.; Howie, R. Alan","Polymeric diaqua(μ~2~-2,2'-bipyrimidinyl-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)-di-μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^5^)tetracobalt(II) dihydrate","Acta Crystallographica Section C","2002","58","10","m487","m489","10.1107/S0108270102014804","","","0.71073","MoKα","","0.028","0.024","","","0.065","0.067","","","","","","1.035","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2012991","9.254","0.0002","11.4154","0.0004","11.8476","0.0004","89.198","0.001","116.162","0.001","107.108","0.001","1063.82","0.06","100","2","100","","","","","","","","","3","P -1","-P 1","2","","9-methylfluoren-9-ol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","2","JZ1524","Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.","The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K","Acta Crystallographica Section C","2002","58","10","o615","o618","10.1107/S0108270102015822","","","0.71073","MoKα","","","0.049","","","","0.127","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012992","8.738","0.0002","11.4571","0.0003","11.7097","0.0004","90.952","0.002","103.462","0.001","106.225","0.001","1090.47","0.05","200","2","100","","","","","","","","","3","P -1","-P 1","2","","9-methylfluoren-9-ol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","2","JZ1524","Morris, David G.; Muir, Kenneth W.; Ryder, Karl S.","The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K","Acta Crystallographica Section C","2002","58","10","o615","o618","10.1107/S0108270102015822","","","0.71073","MoKα","","","0.058","","","","0.156","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012993","6.8039","0.0014","17.011","0.003","6.1959","0.0012","90","","90","","90","","717.1","0.2","148","","148","2","","","","","","","","4","F m m 2","F 2 -2","42","2,6-diiodopyridine","2,6-diiodopyridine","","- C5 H3 I2 N -","- C5 H3 I2 N -","- C20 H12 I8 N4 -","4","0.25","LN1141","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","2,6-Diiodopyridine","Acta Crystallographica Section C","2002","58","10","o602","o603","10.1107/S0108270102014932","","","0.71073","MoKα","","0.02","0.02","","","0.0498","0.0498","","","","","","1.107","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012994","6.9306","0.0008","11.1084","0.0015","13.7591","0.0011","90","","90","","90","","1059.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-β-D-erythro-furanosyl)-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1<i>H</i>(2<i>H</i>)-pyrazolo[3,4-<i>d</i>]pyrimidine <i>N</i>^1^- and <i>N</i>^2^-(2'-deoxy-β-<small>D</small>-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0542","0.0424","","","0.0985","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012995","4.9396","0.0007","13.1528","0.0014","8.178","0.0012","90","","102.772","0.009","90","","518.17","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-deoxy-β-D-erythro-furanosyl)-2H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C20 H24 N8 O6 -","2","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1<i>H</i>(2<i>H</i>)-pyrazolo[3,4-<i>d</i>]pyrimidine <i>N</i>^1^- and <i>N</i>^2^-(2'-deoxy-β-<small>D</small>-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0332","0.0328","","","0.092","0.0924","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012996","14.2921","0.0009","14.2755","0.0009","11.1465","0.0007","90","","119.031","0.001","90","","1988.5","0.2","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Ca N2 O16 P4 -","- C6 H24 Ca N2 O16 P4 -","- C24 H96 Ca4 N8 O64 P16 -","4","0.5","OB1076","Fernández, Daniel; Vega, Daniel; Goeta, Andrés","The calcium-binding properties of pamidronate, a bone-resorption inhibitor","Acta Crystallographica Section C","2002","58","10","m494","m497","10.1107/S010827010201497X","","","0.71073","MoKα","","","0.035","","","","0.1","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012997","7.163","0.002","18.604","0.002","7.357","0.002","90","","113.38","0.02","90","","899.9","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl Cu O5 -","- C6 H9 Cl Cu O5 -","- C24 H36 Cl4 Cu4 O20 -","4","1","OB1078","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","<i>catena</i>-Poly[[[aqua(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-chloro] monohydrate]","Acta Crystallographica Section C","2002","58","10","m506","m508","10.1107/S0108270102015226","","","0.7107","MoKα","","","0.0205","","","","0.0578","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012998","8.462","0.004","6.612","0.004","21.456","0.003","90","","99.88","0.02","90","","1182.7","0.9","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cu N2 O6 -","- C22 H32 Cu N2 O6 -","- C44 H64 Cu2 N4 O12 -","2","0.5","OB1079","Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio","5-<i>n</i>-Butylpyridine-2-carboxylate‒copper(II) and ‒iron(III) complexes","Acta Crystallographica Section C","2002","58","10","m511","m513","10.1107/S0108270102015615","","","0.7107","MoKα","","","0.045","","","","0.166","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012999","9.946","0.005","22.271","0.005","14.072","0.004","90","","98.4","0.03","90","","3083.6","1.9","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Fe N3 O6 -","- C30 H36 Fe N3 O6 -","- C120 H144 Fe4 N12 O24 -","4","1","OB1079","Okabe, Nobuo; Muranishi, Yasunori; Wada, Yoshio","5-<i>n</i>-Butylpyridine-2-carboxylate‒copper(II) and ‒iron(III) complexes","Acta Crystallographica Section C","2002","58","10","m511","m513","10.1107/S0108270102015615","","","0.7107","MoKα","","","0.062","","","","0.225","","","","","","0.925","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013000","8.871","0.002","8.875","0.002","14.161","0.004","106.54","0.02","100.6","0.02","100.93","0.03","1015.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(isothiocyanato-κN)bis(methanol-κO)bis[2,4,6-tri(4-pyridyl)- 1,3,5-triazine-κN^4^]manganese(II)","","- C40 H32 Mn N14 O2 S2 -","- C40 H32 Mn N14 O2 S2 -","- C40 H32 Mn N14 O2 S2 -","1","0.5","OB1080","Kim, Jinkwon; Han, Sujin","<i>trans</i>-Bis(isothiocyanato-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis[2,4,6-tri(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^2^]manganese(II)","Acta Crystallographica Section C","2002","58","10","m521","m522","10.1107/S0108270102016475","","","0.71073","MoKα","","0.069","0.049","","","0.122","0.132","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013001","6.3186","0.0013","8.0176","0.0016","9.7493","0.0019","97.96","0.03","92.49","0.03","92.68","0.03","487.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3,5,7-tetraselenathiocalix[4]arene","1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane","","- C16 H8 S4 Se4 -","- C16 H8 S4 Se4 -","- C16 H8 S4 Se4 -","1","0.5","SK1580","Kunnari, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku","1,3,5,7-Tetraselena-2,4,6,8(2,5)-tetrathiophenaoctaphane","Acta Crystallographica Section C","2002","58","10","o610","o611","10.1107/S0108270102015408","","","0.71073","MoKα","","0.041","0.033","","","0.087","0.091","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013002","12.961","0.008","7.979","0.005","18.113","0.011","90","","104.184","0.01","90","","1816.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fleroxacin hydrochloride hydrate","4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolyl]- 1-methylpiperazinium chloride hydrate","","- C17 H21 Cl F3 N3 O4 -","- C17 H21 Cl F3 N3 O4 -","- C68 H84 Cl4 F12 N12 O16 -","4","1","TA1382","Zheng, Xiang-Jun; Zhao, Hui-Chun; Jin, Lin-Pei","Fleroxacin hydrochloride hydrate","Acta Crystallographica Section C","2002","58","10","o596","o597","10.1107/S0108270102014968","","","0.71073","MoKα","","0.067","0.038","","","0.089","0.1","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013003","31.172","0.01","10.407","0.003","19.116","0.006","90","","116.002","0.003","90","","5574","3","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato- 2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)","","- C21 H47 N3 O8 Ti Zr -","- C21.006 H44.186 N3 O8 Ti Zr -","- C168.048 H353.488 N24 O64 Ti8 Zr8 -","8","1","TA1389","Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim","A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>';1:2κ^2^<i>O</i>)(methyliminodiethanolato-2κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dipropanolato-1κ<i>O</i>,2κ<i>O</i>-titanium(IV)zirconium(IV)","Acta Crystallographica Section C","2002","58","10","m509","m510","10.1107/S0108270102015275","","","0.71073","MoKα","","0.072","0.043","","","0.098","0.104","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013004","13.285","0.006","5.394","0.002","13.75","0.006","90","","100.19","0.03","90","","969.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dipotassium dimanganese tristrontium tris(diphosphate)","Dipotassium dimanganese tristrontium tris(diphosphate)","","- K2 Mn2 O21 P6 Sr3 -","- K2 Mn2 O21 P6 Sr3 -","- K4 Mn4 O42 P12 Sr6 -","2","1","TA1391","Aicha El Maadi; Ali Boukhari; Elizabeth M. Holt","Dipotassium tristrontium dimanganese tris(diphosphate)","Acta Crystallographica Section C","2002","58","10","i141","i143","10.1107/S0108270102015214","","","0.71073","MoKα","","0.1107","0.0663","","","0.1499","0.1736","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013005","8.5668","0.0005","11.9073","0.0006","14.0768","0.0008","109.195","0.001","103.383","0.001","96.374","0.001","1291.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Diaqua(18-crown-6)barium(II)sulfide saccharin","di-(μ-sulfido-1:2κ^2^S)bis[(diaqua-1,4,7,10,13,16-hexaoxacyclooctadecane- 6κO)barium(II)] bis(saccharin)","","- C38 H66 Ba2 N2 O22 S4 -","- C38 H66 Ba2 N2 O22 S4 -","- C38 H66 Ba2 N2 O22 S4 -","1","0.5","AV1115","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun","Di-μ-sulfido-bis[diaqua(18-crown-6)barium(II)]‒saccharin (1/2)","Acta Crystallographica Section C","2002","58","11","m534","m536","10.1107/S0108270102016712","","","0.71073","MoKα","","0.037","0.034","","","0.1","0.102","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013006","9.7563","0.0003","28.5733","0.001","7.2263","0.0002","90","","90","","90","","2014.47","0.11","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","cis-transoid-cis dicyclohexano-18-crown-6","cis-transoid-cis 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane","","- C20 H36 O6 -","- C20 H36 O6 -","- C80 H144 O24 -","4","0.5","AV1116","Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz","A new polymorph of <i>cis</i>‒<i>transoid</i>‒<i>cis</i>-dicyclohexano-18-crown-6","Acta Crystallographica Section C","2002","58","11","o683","o684","10.1107/S0108270102018206","","","0.71073","MoKα","","0.133","0.046","","","0.087","0.102","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013007","13.7492","0.0003","14.9672","0.0003","16.8669","0.0003","97.9362","0.0002","109.755","0.0007","108.864","0.0007","2969.64","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","triaqua(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)(2-nitrophenolato- κO)barium(II)‒2-nitrophenolate‒aqua(1,4,7,10,13,16- hexaoxacyclooctadecane-κ^6^O)bis(2-nitrophenolato-κ^2^O,O')barium(II) (1/1/1)","","- C48 H72 Ba2 N4 O28 -","- C48 H72 Ba2 N4 O28 -","- C96 H144 Ba4 N8 O56 -","2","1","AV1117","Chantrapromma, Suchada; Usman, Anwar; .; Fun, Hoong-Kun; .","A ternary complex of aqua(18-crown-6)bis(<i>o</i>-nitrophenolato)barium(II), the triaqua(18-crown-6)(<i>o</i>-nitrophenolato)barium(II) cation and the <i>o</i>-nitrophenolate anion","Acta Crystallographica Section C","2002","58","11","m531","m533","10.1107/S0108270102016451","","","0.71073","MoKα","","0.075","0.063","","","0.164","0.171","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013008","7.5707","0.0015","11.303","0.002","12.605","0.003","63.98","0.03","84.49","0.03","82.26","0.03","959.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","propylammonium tris(2-aminoethyl)amine-1κ^4^N-di-μ-thio-1:2κ^4^S-dithio- 2κ^2^S-antimony(V)nickel(II)","","- C9 H28 N5 Ni S4 Sb -","- C9 H28 N5 Ni S4 Sb -","- C18 H56 N10 Ni2 S8 Sb2 -","2","1","AV1121","Ralph Stähler; Wolfgang Bensch","The new thioantimonate(V) (C~3~H~10~N)[NiSbS~4~(C~6~H~18~N~4~)]","Acta Crystallographica Section C","2002","58","11","m537","m538","10.1107/S0108270102017754","","","0.71073","MoKα","","0.031","0.019","","","0.047","0.05","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013009","7.9273","0.0014","12.721","0.002","7.4773","0.0014","90","","102.382","0.006","90","","736.5","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C24 H28 Cl8 N4 -","4","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.034","0.027","","","0.069","0.071","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013010","23.037","0.004","4.331","0.0008","14.855","0.003","90","","104.441","0.012","90","","1435.3","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C48 H56 Cl16 N8 -","8","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.068","0.047","","","0.114","0.123","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013011","6.9531","0.0004","7.4755","0.0006","7.4978","0.0004","71.119","0.003","75.731","0.003","72.694","0.003","347.16","0.04","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","4-chloromethylpyridinium chloride","","- C6 H7 Cl2 N -","- C6 H7 Cl2 N -","- C12 H14 Cl4 N2 -","2","1","BM1509","Jones, Peter G.; Vancea, Fabiola; Herbst-Irmer, Regine","Secondary interactions in <i>n</i>-(chloromethyl)pyridinium chlorides (<i>n</i> = 2, 3, 4)","Acta Crystallographica Section C","2002","58","11","o665","o668","10.1107/S0108270102017018","","","0.71073","MoKα","","0.027","0.024","","","0.069","0.07","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013012","6.46","0.004","30.997","0.007","10.665","0.002","90","","90.22","0.04","90","","2135.6","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe5 K3 O24 P6 -","- Fe5 K3 O24 P6 -","- Fe20 K12 O96 P24 -","4","0.5","BR1386","Lajmi, Besma; Hidouri, Mourad; Ben Amara, Mongi","The iron phosphate K~3~Fe~5~(PO~4~)~6~","Acta Crystallographica Section C","2002","58","11","i156","i158","10.1107/S0108270102015251","","","0.56087","AgKα","","0.0254","0.0186","","","0.0487","0.0505","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013013","5.7148","0.0009","8.6568","0.0008","10.6906","0.0011","108.623","0.009","99.878","0.015","105.561","0.013","463.26","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,4'-ethylenedipyridinium dimaleate","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","DE1187","Zhang, Jing; Hou, Xueliang; Bu, Weifeng; Wu, Lixin; Ye, Ling; Yang, Guangdi; Fan, Yuguo","Hydrogen-bonded 1,2-bis(4-pyridyl)ethylene and maleic acid","Acta Crystallographica Section C","2002","58","11","o663","o664","10.1107/S0108270102017079","","","0.71073","MoKα","","0.097","0.066","","","0.166","0.188","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013014","14.559","0.002","10.755","0.002","15.346","0.004","90","","114.1","0.01","90","","2193.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C92 H104 N8 O24 -","4","1","DE1191","Malathy Sony, S. M.; Kuppayee, M.; Ponnuswamy, M. N.; Bhasker Reddy, D.; Padmavathi, V.; Fun, Hoong-Kun","9,9-Dimethoxy-7,11-diphenyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione monohydrate","Acta Crystallographica Section C","2002","58","11","o678","o680","10.1107/S0108270102017080","","","0.71073","MoKα","","0.284","0.067","","","0.139","0.192","","","","","","0.742","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013015","5.903","0.001","5.903","0.001","45.164","0.004","90","","90","","90","","1573.8","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(S)-trans-cyclohexane-1,2-dicarboximide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","FA1000","Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz","(<i>S</i>)-<i>trans</i>-Cyclohexane-1,2-dicarboximide","Acta Crystallographica Section C","2002","58","11","o661","o662","10.1107/S0108270102018061","","","1.54178","CuKα","","0.044","0.041","","0.128","","0.125","","","1.053","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013016","7.6006","0.0006","21.16","0.0016","11.4733","0.0009","90","","98.916","0.001","90","","1822.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua(1,10-phenanthroline-κ^2^N,N')(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)manganese(II) monohydrate","","- C19 H15 Mn N3 O6 -","- C19 H15 Mn N3 O6 -","- C76 H60 Mn4 N12 O24 -","4","1","FG1665","Ma, Chengbing; Fan, Cheng; Chen, Changneng; Liu, Qiutian","Aqua(dipicolinato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate","Acta Crystallographica Section C","2002","58","11","m553","m555","10.1107/S010827010201822X","","","0.71073","MoKα","","0.077","0.044","","","0.101","0.125","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013017","10.228","0.002","5.184","0.001","19.047","0.004","90","","103.6","0.03","90","","981.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium-succinate-succinic acid (2/1/1)","","- C18 H24 N4 O8 -","- C18 H24 N4 O8 -","- C36 H48 N8 O16 -","2","0.5","FR1391","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","2-Aminopyridinium‒succinate‒succinic acid (2/1/1)","Acta Crystallographica Section C","2002","58","11","o691","o692","10.1107/S0108270102017808","","","0.71073","MoKα","","0.06","0.037","","","0.092","0.104","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013018","9.7278","0.001","17.907","0.003","13.541","0.002","90","","110.907","0.008","90","","2203.5","0.6","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-fluorophenyl)-3-(triphenylgermyl)propionic acid","","- C27 H23 F Ge O2 -","- C27 H23 F Ge O2 -","- C108 H92 F4 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.035","0.028","","","0.067","0.07","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013019","10.984","0.003","13.71","0.004","20.245","0.005","90","","113.857","0.014","90","","2788.2","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid","","- C31 H32 Ge O2 -","- C31 H32 Ge O2 -","- C124 H128 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.081","0.043","","","0.098","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013020","10.476","0.002","16.337","0.003","15.119","0.005","90","","92.018","0.008","90","","2586","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(tribenzylgermyl)-3-(4-tolyl)propionic acid","","- C31 H32 Ge O2 -","- C31 H32 Ge O2 -","- C124 H128 Ge4 O8 -","4","1","FR1392","Hans, Karm; Parvez, Masood; Mahboob, Sumera; Imtiaz-ud-Din; Mazhar, Muhammad; Ali, Saqib","Derivatives of substituted 3-trichlorogermylpropionic acid","Acta Crystallographica Section C","2002","58","11","m559","m562","10.1107/S010827010201795X","","","0.71073","MoKα","","0.054","0.037","","","0.087","0.094","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013021","7.282","0.002","13.14","0.003","6.76","0.002","90","","90","","90","","646.8","0.3","174","2","174","2","","","","","","","","3","P n a 21","P 2c -2n","33","phthalaldehyde","benzene-1,2-dicarbaldehyde","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.03","0.027","","","0.077","0.078","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013022","3.776","0.001","11.171","0.003","15.229","0.004","90","","94.98","0.01","90","","640","0.3","174","2","174","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isophthalaldehyde","benzene-1,3-dicarboxaldehyde, polymorph A","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.054","0.039","","","0.079","0.099","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013023","11.374","0.003","3.811","0.001","15.721","0.004","90","","110.419","0.01","90","","638.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isophthalaldehyde","benzene-1,3-dicarbaldehyde, polymorph B","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.049","0.042","","","0.117","0.118","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013024","7.3215","0.0002","12.048","0.0003","10.5082","0.0003","90","","98.877","0.001","90","","915.82","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C40 H40 F4 N4 O8 -","4","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.041","0.033","","","0.09","0.094","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013025","9.4933","0.0003","9.7792","0.0003","20.2345","0.0007","90","","90","","90","","1878.51","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.086","0.043","","","0.091","0.104","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013026","4.9811","0.0001","20.7383","0.0004","18.4869","0.0005","90","","93.021","0.001","90","","1907.03","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","2","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.093","0.046","","","0.097","0.113","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013027","14.1297","0.0005","16.0074","0.0007","15.699","0.001","90","","102.533","0.004","90","","3466.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-MI","7-methoxy-1H-indazole","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C144 H144 N36 O18 -","18","9","GD1218","Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain","7-Methoxy-1<i>H</i>-indazole, a new inhibitor of neuronal nitric oxide synthase","Acta Crystallographica Section C","2002","58","11","o688","o690","10.1107/S0108270102017948","","","0.71073","MoKα","","0.178","0.053","","","0.096","0.128","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013028","13.2734","0.0001","14.3376","0.0001","18.664","0.0002","90","","90","","90","","3551.92","0.05","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(S)-Ru(η^5^-C~5~H~5){(+)EPHOS}Cl","chloro(η^5^-cyclopentadienyl)-(+)-{(2S,3R)-2-[(diphenylphosphino)methylamino]- 3-phenylpropyl diphenylphosphinite-κ^2^P,P'}ruthenium(II)","","- C39 H38 Cl N O P2 Ru -","- C39 H38 Cl N O P2 Ru -","- C156 H152 Cl4 N4 O4 P8 Ru4 -","4","1","GD1228","Haquette, Pierre; Lebideau, Franck; Dagorne, Samuel; Marrot, Jérôme; Jaouen, Gérard","A new optically pure half-sandwich Cp‒Ru diphosphine complex with a chiral metal centre, (<i>S</i>)-Ru(η^5^-C~5~H~5~)(EPHOS)Cl {EPHOS is (+)-(1<i>R</i>,2<i>S</i>)-2-[(diphenylphosphino)methylamino]-1-phenylpropyl diphenylphosphinite}","Acta Crystallographica Section C","2002","58","11","m551","m552","10.1107/S0108270102018395","","","0.71073","MoKα","","0.073","0.038","","","0.067","0.078","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013029","10.1678","0.0004","11.297","0.0006","11.3566","0.0006","90","","90.284","0.003","90","","1304.47","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","","Lynch, Daniel E.; McClenaghan, Ian","1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone","Acta Crystallographica, Section C","2002","58","","o642","o644","10.1107/S0108270102017109","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013030","10.69","0.002","5.5066","0.0011","21.363","0.004","90","","90","","90","","1257.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","Lynch, Daniel E.; McClenaghan, Ian","1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone","Acta Crystallographica, Section C","2002","58","","o642","o644","10.1107/S0108270102017109","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2013031","5.6862","0.0004","13.0264","0.0008","15.563","0.002","90","","90","","90","","1152.76","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,6-Bis(thiophen-2-yl)pyridazine","3,6-Bis(thiophen-2-yl)pyridazine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C48 H32 N8 S8 -","4","1","GG1137","Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter","3,6-Di(thiophen-2-yl)pyridazine","Acta Crystallographica Section C","2002","58","11","o640","o641","10.1107/S0108270102016037","","","0.71073","MoKα","","0.036","0.032","","","0.071","0.074","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013032","16.199","0.005","12.661","0.004","14.785","0.004","90","","115.23","0.03","90","","2743.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-methylacridinium methyl sulfate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","GG1138","Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy","10-Methyl- and 9,10-dimethylacridinium methyl sulfate","Acta Crystallographica Section C","2002","58","11","o669","o671","10.1107/S0108270102017171","","","1.54178","CuKα","","0.059","0.046","","","0.147","0.168","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013033","9.271","0.002","6.822","0.001","11.591","0.002","90","","96.24","0.03","90","","728.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","9,10-dimethylacridinium methyl sulfate","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C32 H34 N2 O8 S2 -","2","0.5","GG1138","Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy","10-Methyl- and 9,10-dimethylacridinium methyl sulfate","Acta Crystallographica Section C","2002","58","11","o669","o671","10.1107/S0108270102017171","","","1.54178","CuKα","","0.048","0.046","","","0.135","0.137","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013034","8.179","0.0016","22.747","0.005","31.752","0.006","90","","90","","90","","5907","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒ tetrafluoroborate‒acetonitrile (1/2/2)","","- C23 H24 B2 Cu F8 N10 O -","- C23 H24 B2 Cu F8 N10 O -","- C184 H192 B16 Cu8 F64 N80 O8 -","8","1","GG1141","Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.","(Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒tetrafluoroborate‒acetonitrile (1/2/2)","Acta Crystallographica Section C","2002","58","11","m542","m544","10.1107/S0108270102018097","","","0.71073","MoKα","","0.089","0.059","","","0.157","0.175","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013035","5.124","0.001","12.213","0.005","15.072","0.009","90","","90","","90","","943.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Sodium zinc diiron(III) triphosphate","","- Fe2 Na O12 P3 Zn -","- Fe2 Na O12 P3 Zn -","- Fe8 Na4 O48 P12 Zn4 -","4","1","IZ1022","Hidouri, Mourad; Lajmi, Besma; Ben Amara, Mongi","The iron phosphate NaZnFe~2~(PO~4~)~3~","Acta Crystallographica Section C","2002","58","11","i147","i148","10.1107/S010827010201541X","","","0.71073","MoKα","","0.035","0.029","","","0.076","0.078","","","","","","1.241","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013036","25.7758","0.0013","25.7758","0.0013","8.7624","0.0006","90","","90","","120","","5041.7","0.5","293","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","henicosamagnesium pentacosazinc","","- Mg21 Zn25 -","- Mg21 Zn25 -","- Mg126 Zn150 -","6","0.166667","IZ1025","Černý, Radovan; Renaudin, Guillaume","The intermetallic compound Mg~21~Zn~25~","Acta Crystallographica Section C","2002","58","11","i154","i155","10.1107/S0108270102018103","","","0.71073","MoKα","","","0.032","","","","0.076","","","","","","0.958","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013037","5.2863","0.0004","5.3603","0.0004","7.5025","0.0006","90","","90.005","0.002","90","","212.59","0.03","293","","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lithium sodium aluminium fluoride","lithium disodium aluminium hexafluoride","","- Al F6 Li Na2 -","- Al F6 Li Na2 -","- Al2 F12 Li2 Na4 -","2","0.5","IZ1026","Kirik, Sergei D.; Zaitseva, Julia N.; Yakimov, Igor S.; Golovnev, Nikolay N.","LiNa~2~AlF~6~: a powder structure solution","Acta Crystallographica Section C","2002","58","11","i159","i160","10.1107/S0108270102018462","","","1.5418","CuKα","","","","","","","","","","1.85","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013038","7.22","0.002","12.728","0.002","32.21","0.006","90","","90","","90","","2960","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2'3'-dehydrosalannol","methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)]- 8-(3-furyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy- 2a,5a,6a,7-tetramethyl-5-(3-methylbut-2-enoyloxy)-2H,3H- cyclopenta[4',5']furo[2',3':6,5]benzo[cd]isobenzofuran-6-acetate","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","LN1144","Malathi, R; Rajan, S. S.; Gopalakrishnan, Geetha; Suresh, G.","2',3'-Dehydrosalannol","Acta Crystallographica Section C","2002","58","11","o681","o682","10.1107/S010827010201747X","","","1.54178","CuKα","","0.091","0.045","","","0.116","0.151","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013039","25.6945","0.0015","16.0188","0.0011","7.975","0.0004","90","","90","","90","","3282.5","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(±)-6-tert-butyl-8-hydroxymethyl-2-phenyl-4H-benzo-1,3-dioxin","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","2","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.08","0.051","","","0.095","0.107","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013040","20.5349","0.001","20.5349","0.001","9.3356","0.0005","90","","90","","90","","3936.7","0.3","100","2","100","2","","","","","","","","3","I -4","I -4","82","","2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-benzo-1,3-dioxin)","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.063","0.044","","","0.089","0.097","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013041","9.352","0.0005","9.7671","0.0005","11.8264","0.0006","99.489","0.001","107.504","0.001","91.441","0.001","1012.92","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","Hexamethylenetetraamine‒4-nitrocatechol‒water (1/2/1)","","- C18 H24 N6 O9 -","- C18 H24 N6 O9 -","- C36 H48 N12 O18 -","2","1","LN1149","Chantrapromma, Suchada; Usman, Anwar; Fun, Hoong-Kun; Bo-Long Poh; Chatchanok Karalai","Hexamethylenetetramine‒4-nitrocatechol‒water (1/2/1)","Acta Crystallographica Section C","2002","58","11","o675","o677","10.1107/S0108270102017559","","","0.71073","MoKα","","0.0459","0.0398","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013042","8.9102","0.0004","17.1911","0.001","10.4861","0.001","90","","105.859","0.008","90","","1545.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate monohydrate","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","LN1152","Ramos Silva, Manuela; Matos Beja, Ana; Paixão, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Hydrogen-bonding and C—H···π interactions in ethyl 4-acetyl-5-methyl-3-phenyl-1<i>H</i>-pyrrole-2-carboxylate monohydrate","Acta Crystallographica Section C","2002","58","11","o685","o687","10.1107/S0108270102018255","","","1.5418","CuKα","","0.045","0.04","","","0.105","0.11","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013043","12.955","0.002","13.293","0.003","16.202","0.003","65.03","0.02","81.91","0.02","83.73","0.02","2500.3","0.9","200","2","298","2","","","","","","","","5","P -1","-P 1","2","aquamagnesium phthalocyanine","Aqua(phthalocyaninato)magnesium","","- C32 H18 Mg N8 O -","- C32 H18 Mg N8 O -","- C128 H72 Mg4 N32 O4 -","4","2","NA1580","Janczak, Jan; Idemori, Ynara Marina","Aqua(phthalocyaninato)magnesium","Acta Crystallographica Section C","2002","58","11","m549","m550","10.1107/S0108270102018474","","","0.71073","MoKα","","0.0755","0.049","","","0.0903","0.0985","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013044","22.3862","0.0008","24.7393","0.0008","8.323","0.0003","90","","91.624","0.001","90","","4607.6","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","trans-{CrBr~2~(Me~2~tn)~2~]Br.0.5HClO~4~.3H~2~O","trans-Dibromobis(2,2-dimethyl-1,3-diaminopropane)chromium(III) Bromide Hemi(hydrogen perchlorate) Trihydrate","","- C20 H69 Br6 Cl Cr2 N8 O10 -","- C10 H34.5 Br3 Cl0.5 Cr N4 O5 -","- C80 H276 Br24 Cl4 Cr8 N32 O40 -","8","1","OB1082","Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio","Bis[<i>trans</i>-dibromo(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] dibromide hydrogen perchlorate hexahydrate","Acta Crystallographica Section C","2002","58","11","m539","m541","10.1107/S0108270102018231","","","0.71069","MoKα","","0.0584","0.0417","","","0.1005","0.1076","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013045","9.0068","0.0007","11.2034","0.0008","15.875","0.0012","103.753","0.002","90.361","0.002","90.392","0.001","1555.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazone","","- C16 H17 N5 S -","- C16 H17 N5 S -","- C64 H68 N20 S4 -","4","2","OB1085","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Philip, Varughese; Sreekanth, A.; Prathapachandra Kurup, M. R.","Di-2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-(butane-1,4-diyl)thiosemicarbazone","Acta Crystallographica Section C","2002","58","11","o652","o654","10.1107/S0108270102017699","","","0.71073","MoKα","","0.142","0.076","","","0.143","0.17","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013046","7.33","0.003","10.819","0.004","22.453","0.008","90","","90","","90","","1780.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}","","- C16 H20 Cl2 N2 Pd2 -","- C16 H20 Cl2 N2 Pd2 -","- C64 H80 Cl8 N8 Pd8 -","4","1","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.06","0.049","","","0.105","0.109","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013047","18.511","0.005","18.511","0.005","15.698","0.006","90","","90","","90","","5379","3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","[SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine- κN)palladium(II)","","- C13 H15 Cl N2 Pd -","- C13 H15 Cl N2 Pd -","- C208 H240 Cl16 N32 Pd16 -","16","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.071","0.046","","","0.1","0.11","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013048","10.423","0.004","13.398","0.005","15.861","0.005","90","","93.429","0.009","90","","2211","1.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)}","","- C20 H26 N2 O4 Pd2 -","- C20 H26 N2 O4 Pd2 -","- C80 H104 N8 O16 Pd8 -","4","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.105","0.065","","","0.155","0.177","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013049","6.7676","0.0006","4.1477","0.0003","5.0206","0.0005","90","","108.205","0.007","90","","133.87","0.02","30","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","HCFC 31","Chlorofluoromethane","","- C H2 Cl F -","- C H2 Cl F -","- C2 H4 Cl2 F2 -","2","1","SK1582","Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P.","Neutron powder-profile study of chlorofluoromethane","Acta Crystallographica Section C","2002","58","11","o672","o674","10.1107/S0108270102017328","","neutron","1.3279","neutron","","","","","","","","","","1.71","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013050","5.902","0.001","5.902","0.001","32.78","0.01","90","","90","","120","","988.9","0.4","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","W hexaferrite","strontium zinc cobalt hexadecairon oxide","","- Co Fe16 O27 Sr Zn -","- Co0.99999 Fe16 O27 Sr Zn -","- Co1.99998 Fe32 O54 Sr2 Zn2 -","2","0.0833333","SK1585","Graetsch, Heribert A.","Zn location in the <i>W</i>-type hexagonal ferrite SrZnCoFe~16~O~27~","Acta Crystallographica Section C","2002","58","11","i152","i153","10.1107/S0108270102017316","","","0.71073","MoKα","","0.026","0.023","","","0.055","0.056","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013051","6.9588","0.0004","7.1984","0.0004","17.4239","0.0011","101.181","0.002","98.559","0.002","95.36","0.004","839.95","0.09","120","1","120","1","","","","","","","","4","P 1","P 1","1","","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3)","","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","- C24 H38 N16 O15 -","1","1","SK1591","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Melguizo, Manuel; Quesada, Antonio","2-Amino-4,6-dimethoxy-5-nitrosopyrimidine‒water (4/3): seven independent molecular components are linked into a three-dimensional framework by six three-centre and eight two-centre hydrogen bonds","Acta Crystallographica Section C","2002","58","11","o655","o657","10.1107/S0108270102017444","","","0.71073","MoKα","","0.0996","0.0533","","","0.1149","0.1395","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013052","4.9598","0.0006","12.239","0.002","12.015","0.008","90","","106.67","0.07","90","","698.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","glycine trifluoroacetate","Glycinium trifluoroacetate","","- C4 H6 F3 N O4 -","- C4 H6 F3 N O4 -","- C16 H24 F12 N4 O16 -","4","1","SK1592","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Glycinium trifluoroacetate","Acta Crystallographica Section C","2002","58","11","o658","o660","10.1107/S010827010201778X","","","0.71073","MoKα","","0.044","0.03","","","0.083","0.092","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013053","9.0595","0.0005","9.8517","0.0005","20.8019","0.0012","86.528","0.003","82.042","0.003","74.826","0.003","1774.04","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dihydro[2.2.2]cryptand (2+) di-μ-hydroxo-bis[bis(nitrato-κ^2^O,O')dioxouranium(VI)] monohydrate","","- C18 H42 N6 O25 U2 -","- C18 H42 N6 O25 U2 -","- C36 H84 N12 O50 U4 -","2","1","SQ1000","Thuéry, Pierre; Masci, Bernardo","Dihydro[2.2.2]cryptand di-μ-hydroxo-bis[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)] monohydrate","Acta Crystallographica Section C","2002","58","11","m556","m558","10.1107/S0108270102018759","","","0.71073","MoKα","","0.041","0.028","","","0.063","0.068","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013054","13.0914","0.0008","20.5067","0.0012","12.7721","0.0006","105.519","0.001","91.231","0.002","82.789","0.002","3277.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Decatungstodysprosate","Nonasodium decatungstodysprosate pentatriacontahydrate","","- Dy H70 Na9 O71 W10 -","- Dy Na9 O71 W10 -","- Dy2 Na18 O142 W20 -","2","1","TA1388","Sawada, Keiju; Yamase, Toshihiro","Nonasodium decatungstodysprosate pentatriacontahydrate","Acta Crystallographica Section C","2002","58","11","i149","i151","10.1107/S0108270102016773","","","0.71069","MoKα","","0.046","0.036","","","0.088","0.104","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013055","16.986","0.003","7.441","0.002","13.488","0.005","90","","104.009","0.006","90","","1654.1","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro-{N-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido- κ^2^N,O}titanium(IV)","","- C15 H17 Cl2 N O2 S Ti -","- C15 H17 Cl2 N O2 S Ti -","- C60 H68 Cl8 N4 O8 S4 Ti4 -","4","1","TA1393","Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno J. R.","Dichloro{<i>N</i>-[3-(η^5^-cyclopentadienyl)propyl]-4-toluenesulfonamido-κ^2^<i>N</i>,<i>O</i>}titanium(IV)","Acta Crystallographica Section C","2002","58","11","m529","m530","10.1107/S0108270102016785","","","0.71073","MoKα","","0.028","0.024","","","0.065","0.067","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013056","7.99482","0.00003","8.84525","0.00004","8.35318","0.00004","90","","90","","90","","590.705","0.004","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead tartrate","Lead tartrate","","- C4 H4 O6 Pb -","- C4 H4 O6 Pb -","- C16 H16 O24 Pb4 -","4","1","AV1119","De Ridder, Dirk J. A.; Goubitz, Kees; Sonneveld, Ed J.; Molleman, Wim; Schenk, Henk","Lead tartrate from X-ray powder diffraction data","Acta Crystallographica Section C","2002","58","12","m596","m598","10.1107/S0108270102019637","","","1.54056","CuKα","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013057","18.043","0.003","7.1948","0.0013","18.048","0.003","90","","118.205","0.013","90","","2064.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN^4^)methanamine- κN]copper(II)","","- C5 H11 Cl2 Cu N5 -","- C5 H11 Cl2 Cu N5 -","- C40 H88 Cl16 Cu8 N40 -","8","2","AV1123","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.","Dichloro[<i>N</i>,<i>N</i>-dimethyl-1-(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^4^)methanamine-κ<i>N</i>]copper(II)","Acta Crystallographica Section C","2002","58","12","m563","m564","10.1107/S0108270102019431","","","0.71069","MoKα","","0.059","0.043","","","0.115","0.122","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013058","8.5542","0.001","32.027","0.003","12.391","0.0007","90","","104.493","0.003","90","","3286.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyano-2-ethoxy-4,6-diphenylpyridine","","- C20 H16 N2 O -","- C19.996 H16 N2 O -","- C159.968 H128 N16 O8 -","8","2","DE1195","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","C—H···N and C—H···π interactions in 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile","Acta Crystallographica Section C","2002","58","12","o697","o699","10.1107/S0108270102018383","","","1.5418","CuKα","","0.099","0.051","","","0.129","0.16","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013059","11.67","0.003","6.5073","0.0016","12.693","0.003","90","","107.975","0.018","90","","916.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium 4-nitrophenylarsonate","","- C6 H9 As N2 O5 -","- C6 H9 As N2 O5 -","- C24 H36 As4 N8 O20 -","4","1","DE1196","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Chun; Zheng, Guo-Li; Li, Li; Liu, Jing-Fu; Hu, Ning-Hai; Jia, Heng-Qing","Ammonium 4-nitrophenylarsonate","Acta Crystallographica Section C","2002","58","12","m613","m614","10.1107/S0108270102020462","","","0.71073","MoKα","","0.039","0.03","","","0.075","0.077","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013060","10.2994","0.0014","11.1508","0.0016","13.8197","0.0019","68.023","0.016","68.73","0.015","80.092","0.017","1370.3","0.4","200","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(II)","","- C60 H52 Ni O8 P2 S4 -","- C60 H52 Ni O8 P2 S4 -","- C60 H52 Ni O8 P2 S4 -","1","0.5","DN1015","Baudron, Stephane A.; Batail, Patrick","Bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(II) and bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(III) iodide","Acta Crystallographica Section C","2002","58","12","m575","m577","10.1107/S0108270102019212","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013061","9.4071","0.0003","10.2501","0.0006","15.4642","0.0007","85.671","0.004","77.541","0.004","80.24","0.004","1433.75","0.12","293","2","","","","","","","","","","7","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cis-1,2-dimethoxycarbonylethylenedithiolato-κ^2^S,S')nickelate(III) iodide","","- C60 H52 I Ni O8 P2 S4 -","- C60 H52 I Ni O8 P2 S4 -","- C60 H52 I Ni O8 P2 S4 -","1","0.5","DN1015","Baudron, Stephane A.; Batail, Patrick","Bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(II) and bis(tetraphenylphosphonium) bis[<i>cis</i>-1,2-bis(methoxycarbonyl)ethylenedithiolato-κ^2^<i>S</i>,<i>S</i>']nickelate(III) iodide","Acta Crystallographica Section C","2002","58","12","m575","m577","10.1107/S0108270102019212","","","0.71073","Mokα","","","0.032","","","","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013062","21.7323","0.0015","7.8564","0.0005","26.0263","0.0018","90","","90.605","0.001","90","","4443.4","0.5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper(II) Lariat-PreH","","","- C34 H52 Cl2 Cu2 N10 O14 -","- C34 H52 Cl2 Cu2 N10 O14 -","- C136 H208 Cl8 Cu8 N40 O56 -","4","1","FG1662","Salma Kiani; Richard J. Staples; .; Alan B. Packard; .","A lariat-functionalized copper(II) diimine‒dioxime complex","Acta Crystallographica Section C","2002","58","12","m593","m595","10.1107/S0108270102019911","","","0.71073","MoKα","","0.0783","0.0452","","","0.1201","0.1374","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013063","11.588","0.001","11.588","0.001","17.177","0.002","90","","90","","120","","1997.5","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","catena-Poly[tris(ethylenediamine-κ^2^N)nickel(II) [[trithiocyanato-κ^3^N-sodium(I)]-μ-aqua-κ^2^O:O]]","","- C9 H26 N9 Na Ni O S3 -","- C9 H26 N9 Na Ni O S3 -","- C36 H104 N36 Na4 Ni4 O4 S12 -","4","0.333333","FG1666","Shen, Liang; Jing, Zhi Min","<i>catena</i>-Poly[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) [[trithiocyanato-κ^3^<i>N</i>-sodium(I)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>]]","Acta Crystallographica Section C","2002","58","12","m591","m592","10.1107/S0108270102019509","","","0.71073","MoKα","","0.055","0.038","","","0.123","0.13","","","","","","1.02","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2013064","7.118","0.001","9.328","0.001","9.483","0.001","111","0.01","106.8","0.01","103.85","0.01","519.65","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-(1,3,5,8,10,12-hexaazacyclotetradecane-3,10-diyl)diethanol- κ^4^N^1^,N^5^,N^8^,N^12^]bis(thiocyanato-κS)copper(II)","","- C14 H30 Cu N8 O2 S2 -","- C14 H30 Cu N8 O2 S2 -","- C14 H30 Cu N8 O2 S2 -","1","0.5","FG1669","Shen, Liang","[2,2'-(1,3,5,8,10,12-Hexaazacyclotetradecane-3,10-diyl)diethanol-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]bis(thiocyanato-κ<i>S</i>)copper(II)","Acta Crystallographica Section C","2002","58","12","m588","m590","10.1107/S0108270102019728","","","0.71073","MoKα","","0.036","0.034","","","0.087","0.089","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013065","9.845","0.005","6.77","0.005","13.994","0.008","90","","101.12","0.03","90","","915.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-4-acetylcyclohexanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","FR1396","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","<i>trans</i>-4-Acetylcyclohexanecarboxylic acid and (±)-<i>trans</i>-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids","Acta Crystallographica Section C","2002","58","12","o693","o696","10.1107/S0108270102018553","","","0.71073","MoKα","","0.1","0.059","","","0.139","0.166","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013066","6.943","0.002","10.489","0.003","12.778","0.004","90","","101.47","0.02","90","","912","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-2-acetylcyclohexanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","FR1396","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","<i>trans</i>-4-Acetylcyclohexanecarboxylic acid and (±)-<i>trans</i>-2-acetylcyclohexanecarboxylic acid: hydrogen-bonding patterns in two isomeric keto acids","Acta Crystallographica Section C","2002","58","12","o693","o696","10.1107/S0108270102018553","","","0.71073","MoKα","","0.107","0.052","","","0.088","0.104","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013067","10.473","0.002","14.961","0.003","8.569","0.002","90","","94.028","0.01","90","","1339.3","0.5","294","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N10 Ni O6 -","- C24 H24 N10 Ni O6 -","- C48 H48 N20 Ni2 O12 -","2","0.5","FR1398","Hörner, Manfredo; Oliveira, Julieta Saldanha de; Bordinhao, Jairo; Beck, Johannes","<i>trans</i>-Bis[1-methyl-3-(<i>p</i>-nitrophenyl)triazenido 1-oxide-κ^2^<i>N</i>^3^,<i>O</i>]dipyridinenickel(II)","Acta Crystallographica Section C","2002","58","12","m586","m587","10.1107/S0108270102019820","","","0.71073","MoKα","","0.0465","0.0311","","","0.0699","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013068","7.4046","0.001","14.796","0.0013","7.7788","0.0011","90","","99.727","0.012","90","","839.98","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Fe O8 -","- C4 H12 Fe O8 -","- C16 H48 Fe4 O32 -","4","1","FR1400","Tu-Gen Xu; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang","<i>catena</i>-Poly[[tetraaquairon(II)]-μ-succinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2002","58","12","m615","m616","10.1107/S0108270102020693","","","0.71069","MoKα","","0.03","0.027","","","0.074","0.076","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013069","11.127","0.0008","15.622","0.001","12.47","0.001","90","","106.28","0.01","90","","2080.7","0.3","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)","","- C21 H18 Cl2 N2 O Pd S -","- C21 H18 Cl2 N2 O Pd S -","- C84 H72 Cl8 N8 O4 Pd4 S4 -","4","1","GA1000","Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L.","[5-Benzyl-3-phenyl-2-(2-pyridyl-κ<i>N</i>)thiazolidin-4-one-κ<i>S</i>]dichloropalladium(II)","Acta Crystallographica Section C","2002","58","12","m583","m585","10.1107/S0108270102019224","","","0.71073","MoKα","","0.069","0.039","","","0.067","0.075","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013070","10.2785","0.0002","12.6674","0.0003","16.2495","0.0005","71.693","0.002","89.362","0.002","76.317","0.002","1947.05","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","CUmof-2","catena-Poly[[[bis[diaqua(4,4'-bipyridine)cadmium(II)]-bis[μ-(N''- carboxymethyldiethylenetriamine-N,N,N',N''-tetraacetato)cadmium(II)]]- μ-4,4'-bipyridine] tetradecahydrate]","","- C58 H98 Cd4 N12 O38 -","- C58 H98 Cd4 N12 O38 -","- C58 H98 Cd4 N12 O38 -","1","0.5","GD1231","Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek","A novel one-dimensional coordination polymer with Cd^2+^ and diethylenetriaminepentaacetic acid","Acta Crystallographica Section C","2002","58","12","m608","m610","10.1107/S0108270102019960","","","0.7107","MoKα","","0.032","0.027","","","0.07","0.072","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013071","24.862","0.004","7.3778","0.0014","19.633","0.004","90","","101.823","0.006","90","","3524.8","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2,4-diamino-5-naphthalen-1-yl-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene Cl","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","","- C18 H22 Cl N5 -","- C18 H22 Cl N5 -","- C144 H176 Cl8 N40 -","8","1","GG1139","Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J.","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","Acta Crystallographica Section C","2002","58","12","o730","o732","10.1107/S0108270102019108","","","1.5418","CuKα","","0.063","0.052","","","0.143","0.155","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013072","12.271","0.002","5.324","0.002","15.15","0.001","90","","97.85","0.01","90","","980.5","0.4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)cobalt(II) dihydrate","","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","- C40 H40 Co2 N4 O16 -","2","0.5","GG1140","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate","Acta Crystallographica Section C","2002","58","12","m578","m580","10.1107/S0108270102018942","","","0.71073","MoKα","","","0.031","","","","0.116","","","","","","0.836","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013073","12.171","0.002","5.351","0.004","15.107","0.002","90","","97.91","0.01","90","","974.5","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bisaquabis(isoquinoline-1-carboxylato-N,O)nickel(II) dihydrate","","- C20 H20 N2 Ni O8 -","- C20 H20 N2 Ni O8 -","- C40 H40 N4 Ni2 O16 -","2","0.5","GG1140","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of isoquinoline-1-carboxylate","Acta Crystallographica Section C","2002","58","12","m578","m580","10.1107/S0108270102018942","","","0.71073","MoKα","","","0.04","","","","0.143","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013074","11.5759","0.0005","9.3063","0.0004","11.5275","0.0004","90","","118.896","0.002","90","","1087.23","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(pyrrolidin-1-yl)-1,4-naphthoquinone","","- C14 H12.95 Cl0.05 N O2 -","- C14 H12.95 Cl0.05 N O2 -","- C56 H51.8 Cl0.2 N4 O8 -","4","1","GG1143","Lynch, Daniel E.; Ian McClenaghan","2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2002","58","12","o704","o707","10.1107/S0108270102019194","","","0.71073","MoKα","","0.0814","0.0472","","","0.11","0.123","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013075","13.205","0.003","11.387","0.002","11.22","0.002","90","","93.12","0.03","90","","1684.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(phenylthio)-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","GG1143","Lynch, Daniel E.; Ian McClenaghan","2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2002","58","12","o704","o707","10.1107/S0108270102019194","","","0.71073","MoKα","","0.11","0.0482","","","0.1035","0.126","","","","","","0.951","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013076","6.6664","0.0019","6.6765","0.0019","15.5711","0.0018","84.075","0.004","82.803","0.005","85.776","0.005","682.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Isozoledronate monosodium","Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate","","- C5 H17 N2 Na O11 P2 -","- C5 H17 N2 Na O11 P2 -","- C10 H34 N4 Na2 O22 P4 -","2","1","GG1144","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Monosodium [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate)","Acta Crystallographica Section C","2002","58","12","m599","m600","10.1107/S0108270102019522","","","0.71073","MoKα","","0.038","0.029","","","0.074","0.077","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013077","9.0398","0.0002","16.6679","0.0004","9.0973","0.0002","90","","98.19","0.001","90","","1356.75","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","caesium silver zinc tetrathioyanate","caesium silver zinc tetrathioyanate","","- C4 Ag Cs N4 S4 Zn -","- C4 Ag Cs N4 S4 Zn -","- C16 Ag4 Cs4 N16 S16 Zn4 -","4","1","IZ1027","Güneş, Minna; Valkonen, Jussi","Polymorphism in Cs[AgZn(NCS)~4~]","Acta Crystallographica Section C","2002","58","12","i161","i163","10.1107/S0108270102017961","","","0.71073","MoKα","","","0.041","","","","0.101","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013078","13.964","0.002","14.851","0.002","13.389","0.002","90","","113.35","0.01","90","","2549.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","caesium silver zinc tetrathioyanate","caesium silver zinc tetrathioyanate","","- C4 Ag Cs N4 S4 Zn -","- C4 Ag Cs N4 S4 Zn -","- C32 Ag8 Cs8 N32 S32 Zn8 -","8","1","IZ1027","Güneş, Minna; Valkonen, Jussi","Polymorphism in Cs[AgZn(NCS)~4~]","Acta Crystallographica Section C","2002","58","12","i161","i163","10.1107/S0108270102017961","","","0.71073","MoKα","","","0.0599","","","","0.1191","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013079","14.462","0.002","14.462","0.002","13.902","0.003","90","","90","","120","","2518.1","0.7","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I)","","- C55 H45 I O Rh Sb3 -","- C55 H45 I O Rh Sb3 -","- C110 H90 I2 O2 Rh2 Sb6 -","2","0.333333","JZ1526","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Carbonyliodotris(triphenylstibine-κ<i>Sb</i>)rhodium(I)","Acta Crystallographica Section C","2002","58","12","m565","m566","10.1107/S0108270102018747","","","0.71073","MoKα","","0.112","0.031","","","0.047","0.056","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013080","14.142","0.006","17.287","0.003","21.505","0.004","90","","90","","90","","5257","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Azadirachtol","Dimethyl (-)-(2aR,3R,4R,4aS,5R,7aS,8R,10S,10aR)- 3,8,10-trihydroxy-4-[(2R,6R)-2-hydroxy-11-methyl- 5,7,10-trioxatetracyclo[6.3.1.0^2,6^0^9,11^]dodeca-3-en-9-yl]- 4-methylperhydroisobenzofurano[5,4,3a-cd]isobenzofuran-5,10a-diacetate","","- C28 H36 O13 -","- C28 H36 O13 -","- C224 H288 O104 -","8","2","LN1147","Malathi, R.; Rajan, S. S.; Geetha Gopalakrishnan; Suresh, G.","Azadirachtol, a tetranortriterpenoid from neem kernels","Acta Crystallographica Section C","2002","58","12","o708","o710","10.1107/S0108270102019091","","","1.54178","CuKα","","0.15","0.06","","","0.135","0.173","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013081","11.316","0.0013","6.744","0.002","18.4091","0.0015","90","","102.887","0.008","90","","1369.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,5-dimethyl-4-phenyl-1H-pyrrole-2-carboxylate","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","LN1155","Paixão, José António; Ramos Silva, Manuela; Matos Beja, Ana; Sobral, Abílio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.","Ethyl 3,5-dimethyl-4-phenyl-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section C","2002","58","12","o721","o723","10.1107/S0108270102020656","","","1.5418","CuKα","","0.062","0.054","","","0.158","0.169","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013082","12.9955","0.0009","7.7137","0.0005","13.4699","0.0011","90","","107.86","0.006","90","","1285.2","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","imidazolidinedione","5-(1-Acetamidobenzyl)-5-methylazolidin-2,4-dione","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","NA1581","SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Moon Jib-Kim","5-[Acetamido(phenyl)methyl]-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section C","2002","58","12","o715","o717","10.1107/S0108270102019339","","","0.71073","MoKα","","0.0716","0.0422","","","0.1231","0.1391","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013083","6.1726","0.0001","14.9068","0.0002","17.6465","0.0003","90","","97.724","0.001","90","","1608.99","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","synthetic steroid","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C72 H102 N2 O12 -","2","1","NA1582","Thamotharan, S.; Parthasarathi, V.; Ranju Gupta; Sheetal Guleria; Jindal, D. P.; Linden, Anthony","16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3β-yl acetate monohydrate","Acta Crystallographica Section C","2002","58","12","o727","o729","10.1107/S010827010202005X","","","0.71073","MoKα","","0.0627","0.0419","","","0.0958","0.1047","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013084","14.256","0.0003","16.6074","0.0003","14.6189","0.0003","90","","92.789","0.001","90","","3457","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane- κ^3^N)rhodium(III) tetraphenylborate","","- C37 H50 B N4 Rh -","- C37 H50 B N4 Rh -","- C148 H200 B4 N16 Rh4 -","4","1","OB1087","Fooladi, Erik; Dalhus, Bjørn; Rømming, Christian; Tilset, Mats","An organometallic Rh^III^ complex with a distorted octahedral structure: (acetonitrile-κ<i>N</i>)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')rhodium(III) tetraphenylborate","Acta Crystallographica Section C","2002","58","12","m567","m569","10.1107/S0108270102019182","","","0.71073","MoKα","","0.044","0.032","","","0.069","0.077","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013085","8.029","0.002","13.4196","0.0016","15.3094","0.0016","90","","90","","90","","1649.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium monoperchlorate","(6R,7S,9S,11S)-Sparteinium monoperchlorate","","- C15 H27 Cl N2 O4 -","- C15 H27 Cl N2 O4 -","- C60 H108 Cl4 N8 O16 -","4","1","OB1088","Lee, Yong-Min; Shim, Yoon-Bo; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Redetermination of (6<i>R</i>,7<i>S</i>,9<i>S</i>,11<i>S</i>)-(‒)-sparteinium monoperchlorate","Acta Crystallographica Section C","2002","58","12","o733","o734","10.1107/S0108270102020425","","","0.71073","MoKα","","0.097","0.0515","","","0.1088","0.1283","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013086","12.4975","0.0013","7.7837","0.0008","13.132","0.0014","90","","100.402","0.002","90","","1256.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)benzoate monohydrate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","OB1090","Anwar Usman; Chandini R. Nayar; P. A. Unnikrishnan; P. B. Sreeja; M. R. Prathapachandra Kurup; Hoong-Kun Fun","2-Hydroxy-3-(4,5,6,7-tetrahydro-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-5-ium-4-yl)benzoate monohydrate","Acta Crystallographica Section C","2002","58","12","o724","o726","10.1107/S0108270102020371","","","0.71073","MoKα","","0.0984","0.0614","","","0.1388","0.1568","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013087","7.0259","0.0001","12.2874","0.0002","13.0484","0.0003","80.316","0.001","79.508","0.001","74.462","0.001","1058.64","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","indole","Trimethyl[3-methyl-1-(o-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide","","- C20 H25 I N2 O2 S -","- C20 H25 I N2 O2 S -","- C40 H50 I2 N4 O4 S2 -","2","1","SK1573","Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.","Trimethyl[3-methyl-1-(<i>o</i>-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","Acta Crystallographica Section C","2002","58","12","o700","o703","10.1107/S0108270102018760","","","0.71073","MoKα","","0.036","0.032","","","0.084","0.087","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013088","9.742","0.005","12.211","0.005","12.446","0.005","61.362","0.005","99.119","0.005","108.61","0.005","1231.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","indole","Benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","","- C29 H25 Br N2 O2 S -","- C29 H25 Br N2 O2 S -","- C58 H50 Br2 N4 O4 S2 -","2","1","SK1573","Seshadri, P. R.; Velmurugan, D.; Govindaraj, J.; Kannadasan, S.; Srinivasan, P. C.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Kim, M. J.","Trimethyl[3-methyl-1-(<i>o</i>-tolenesulfonyl)indol-2-ylmethyl]ammonium iodide and benzyl[3-bromo-1-(phenylsulfonyl)indol-2-ylmethyl]tolylamine","Acta Crystallographica Section C","2002","58","12","o700","o703","10.1107/S0108270102018760","","","0.71069","MoKα","","0.117","0.045","","","0.116","0.146","","","","","","0.891","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013089","11.722","0.002","18.391","0.014","25.528","0.006","90","","90","","90","","5503","4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(2-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C33 H30 N4 Ni O3 -","- C33 H30 N4 Ni O3 -","- C264 H240 N32 Ni8 O24 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.077","0.054","","","0.098","0.115","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013090","11.522","0.004","18.623","0.006","25.828","0.007","90","","90","","90","","5542","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(3-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II) hemihydrate","","- C33 H31 N4 Ni O3.5 -","- C33 H30 N4 Ni O3.5 -","- C264 H240 N32 Ni8 O28 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.1","0.066","","","0.106","0.126","","","","","","1.29","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013091","9.692","0.003","10.047","0.002","26.06","0.006","90","","90","","90","","2537.6","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-ethylprolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C29 H29 N3 Ni O3 -","- C29 H29 N3 Ni O3 -","- C116 H116 N12 Ni4 O12 -","4","1","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.055","0.05","","","0.128","0.135","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013092","25.166","0.003","5.029","0.0005","15.159","0.0016","90","","97.648","0.009","90","","1901.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)benzene-1,4-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C88 H72 N16 O16 -","4","0.5","SK1587","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Hydrogen-bonded one-dimensional networks in 1:1 complexes of <i>N</i>,<i>N</i>'-bis(2-pyridyl)aryldiamines with anilic acid","Acta Crystallographica Section C","2002","58","12","o735","o738","10.1107/S0108270102020644","","","0.71073","MoKα","","0.115","0.045","","","0.075","0.088","","","","","","0.939","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013093","14.8368","0.0018","5.0801","0.0006","16.0207","0.0016","90","","114.106","0.011","90","","1102.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-pyridyl)biphenyl-4,4'-diamine 2,5-dihydroxy-1,4-benzoquinone (1/1)","","- C28 H22 N4 O4 -","- C28 H22 N4 O4 -","- C56 H44 N8 O8 -","2","0.5","SK1587","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Hydrogen-bonded one-dimensional networks in 1:1 complexes of <i>N</i>,<i>N</i>'-bis(2-pyridyl)aryldiamines with anilic acid","Acta Crystallographica Section C","2002","58","12","o735","o738","10.1107/S0108270102020644","","","0.71073","MoKα","","0.073","0.037","","","0.089","0.1","","","","","","0.934","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013094","15.3965","0.0006","15.3965","0.0006","10.0549","0.0005","90","","90","","120","","2064.2","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Dimercury(II) selenite(IV) oxide hydrate","","- H0.3333 Hg2 O4.1667 Se -","- Hg2 O4.16667 Se -","- Hg36 O75 Se18 -","18","1","SK1593","Weil, Matthias","The channel structure of the mercury(II) selenite(IV) oxide hydrate HgSeO~3~·HgO·{1 øver 6}H~2~O","Acta Crystallographica Section C","2002","58","12","i164","i166","10.1107/S0108270102018152","","","0.71073","MoKα","","0.028","0.022","","","0.053","0.054","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013095","7.5571","0.0001","9.4931","0.0001","23.4455","0.0002","90","","90","","90","","1681.99","0.03","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,1',6'-trichloro-4,1',6'-trideoxysucrose monohydrate","1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-glucopyranoside monohydrate","","- C12 H21 Cl3 O9 -","- C12 H21 Cl3 O9 -","- C48 H84 Cl12 O36 -","4","1","SK1596","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","4,1',6'-Trichloro-4,1',6'-trideoxysucrose monohydrate","Acta Crystallographica Section C","2002","58","12","o711","o714","10.1107/S0108270102020048","","","0.71073","MoKα","","0.034","0.028","","","0.065","0.068","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013096","8.2962","0.0001","9.4622","0.0001","9.9471","0.0003","61.6508","0.0006","69.969","0.0006","71.4651","0.0011","634.15","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","2,3,3',6-tetra-O-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","3-O-acetyl-1,6-dichloro-1,4,6-trideoxy-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-galactopyranoside","","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","- C20 H27 Cl3 O11 -","1","1","SK1597","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","2,3,3',6-Tetra-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',4',6'-tetradeoxygalactosucrose","Acta Crystallographica Section C","2002","58","12","o718","o720","10.1107/S0108270102020000","","","0.71073","MoKα","","0.044","0.035","","","0.085","0.089","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013097","11.76","0.002","20.625","0.004","14.109","0.003","90","","113.55","0.03","90","","3137.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^N,O,O',O'')gadolinate(III) octahydrate","","- C12 H48 Co Gd N8 O21 -","- C12 H48 Co Gd N8 O21 -","- C48 H192 Co4 Gd4 N32 O84 -","4","1","TA1390","Baldwin, Steven M.; Kastner, M. E.","Hexaamminecobalt(III) aquabis(nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')gadolinate(III) octahydrate","Acta Crystallographica Section C","2002","58","12","m611","m612","10.1107/S0108270102019601","","","0.71073","MoKα","","0.073","0.058","","","0.161","0.172","","","","","","1.116","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2013098","11.373","0.002","7.8632","0.0016","13.162","0.003","90","","100.92","0.03","90","","1155.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly-[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato- κ^4^N,N':O,O')]","","- C12 H10 Co N2 O6 -","- C12 H10 Co N2 O6 -","- C48 H40 Co4 N8 O24 -","4","0.5","TA1395","Zhang, Guohong; Wei, Yongge; Wang, Ping; Guo, Hongyou","A novel one-dimensional coordination polymer, <i>catena</i>-poly[[diaquacobalt(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^<i>N</i>,<i>N</i>':<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2002","58","12","m605","m607","10.1107/S010827010202019X","","","0.71073","MoKα","","0.08","0.054","","","0.121","0.132","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013099","12.4608","0.0012","17.744","0.002","23.7491","0.0013","90","","102.428","0.006","90","","5128","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(diphenylcarbenyl-κC)(methanol-κO)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II) methanol solvate","","- C63 H54 N4 O2 Ru -","- C63 H54 N4 O2 Ru -","- C252 H216 N16 O8 Ru4 -","4","1","TR1039","Kawai, Masashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","A ruthenium(II)‒porphyrin‒carbene complex with a weakly bonded methanol ligand","Acta Crystallographica Section C","2002","58","12","m581","m582","10.1107/S0108270102019492","","","0.71069","MoKα","","0.12","0.044","","","0.106","0.128","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013100","12.4673","0.0018","13.5634","0.0018","13.591","0.0018","105.642","0.004","101.243","0.004","90.381","0.005","2166.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[1,2-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate","","- C5 H24 B20 Cl2 Hg -","- C5 H24 B20 Cl2 Hg -","- C20 H96 B80 Cl8 Hg4 -","4","2","TR1042","Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.","Solvent‒metal interactions in bis[1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2002","58","12","m601","m604","10.1107/S0108270102020036","","","0.71073","MoKα","","0.033","0.026","","","0.059","0.062","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013101","12.186","0.007","19.548","0.012","19.7","0.012","90","","90.055","0.01","90","","4693","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[1,12-dicarba-closo-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","","- C8 H30 B20 Hg O -","- C8 H30 B20 Hg O -","- C64 H240 B160 Hg8 O8 -","8","2","TR1042","Morel, Pierre; Schaffer, Paul; Britten, James F.; Valliant, John F.","Solvent‒metal interactions in bis[1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) dichloromethane solvate and bis[1,12-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]mercury(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2002","58","12","m601","m604","10.1107/S0108270102020036","","","0.71073","MoKα","","0.066","0.044","","","0.092","0.107","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013102","6.1664","0.001","8.3913","0.0018","8.6842","0.0017","90.062","0.017","110.351","0.015","93.176","0.016","420.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(1-piperidiniomethyl)-1H-tetrazolide","","- C7 H13 N5 -","- C7 H13 N5 -","- C14 H26 N10 -","2","1","AV1125","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","Zwitterionic 5-(1-piperidiniomethyl)-1<i>H</i>-tetrazolide","Acta Crystallographica Section C","2003","59","1","o22","o23","10.1107/S0108270102020905","","","0.71069","MoKα","","0.045","0.04","","","0.112","0.118","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013103","6.004","0.0012","8.358","0.0017","12.27","0.003","90","","92.72","0.03","90","","615","0.2","293","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Di-2-thienylthiazolo[4,5-d]thiazole","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C24 H12 N4 S8 -","2","0.5","AV1128","Wagner, Paweł; Kubicki, Maciej","2,5-Di-2-thienylthiazolo[4,5-<i>d</i>]thiazole","Acta Crystallographica Section C","2003","59","2","o91","o92","10.1107/S0108270103001069","","","0.71073","MoKα","","0.0314","0.0283","","","0.0663","0.0681","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013104","9.7204","0.0014","23.495","0.002","14.541","0.003","90","","107.578","0.014","90","","3165.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl6 Cu3 N16 -","- C16 H24 Cl6 Cu3 N16 -","- C64 H96 Cl24 Cu12 N64 -","4","1","AV1129","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S.","<i>catena</i>-Poly[[tetrakis(2-allyltetrazole-κ<i>N</i>^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro]","Acta Crystallographica Section C","2003","59","3","m90","m92","10.1107/S0108270103002968","","","0.71073","MoKα","","0.0492","0.0358","","","0.0859","0.0928","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013105","3.3477","0.0008","3.3477","0.0008","12.875","0.004","90","","90","","120","","124.96","0.06","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium niobium disulfide","","- Li0.63 Nb S2 -","- Li0.63 Nb S2 -","- Li1.26 Nb2 S4 -","2","0.0833333","BC1001","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire","Lithium niobium disulfide, Li~0.63~NbS~2~","Acta Crystallographica Section C","2003","59","1","i4","i6","10.1107/S0108270102021844","","","0.71073","MoKα","","0.019","0.018","","","0.043","0.044","","","","","","1.421","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013106","7.858","0.0011","5.5281","0.0009","31.449","0.005","90","","97.166","0.016","90","","1355.5","0.4","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Lanthanum titanate","pentalanthanum pentatitanium heptadecaoxide","","- La5 O17 Ti5 -","- La5 O17 Ti5 -","- La20 O68 Ti20 -","4","1","BC1002","Daniels, Peter; Lichtenberg, Frank; Smaalen, Sander van","Perovskite-related LaTiO~3.41~","Acta Crystallographica Section C","2003","59","2","i15","i17","10.1107/S0108270102023612","","","0.71069","MoKα","","0.06","0.039","","","0.074","0.082","","","","","","1.127","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013107","6.9219","0.001","6.9219","0.001","8.1465","0.0016","90","","90","","120","","338.03","0.1","293","2","293","2","","","","","","","","5","P 3 1 2","P 3 2","149","Potassium manganese(II) dicyanoargentate(I)","Potassium manganese(II) dicyanoargentate(I)","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","BC1004","Geiser, Urs; Schlueter, John A.","KMnAg~3~(CN)~6~, a new triply interpenetrating network solid","Acta Crystallographica Section C","2003","59","3","i21","i23","10.1107/S0108270103001264","","","0.71073","MoKα","","0.012","0.012","","","0.032","0.032","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013108","10.1195","0.0008","11.865","0.001","12.271","0.001","70.563","0.007","70.092","0.008","73.452","0.007","1281.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazolo[3,4-d]pyrimidine","1-{5-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}- 6-methylsulfanyl-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine","","- C22 H29 N9 S3 -","- C22 H29 N9 S3 -","- C44 H58 N18 S6 -","2","1","BM1510","Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.","Intermolecular stacking in pyrazolo[3,4-<i>d</i>]pyrimidine-based pentamethylene-linked flexible molecules","Acta Crystallographica Section C","2003","59","1","o42","o45","10.1107/S0108270102020681","","","0.71073","MoKα","","0.057","0.042","","","0.108","0.119","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013109","10.006","0.001","15.283","0.001","18.411","0.002","74.164","0.007","89.97","0.009","86.359","0.009","2702.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-{5-[6-methylsulfanyl-4-(pyrrolidin-1-yl)-2H- pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-4-(pyrrolidin-1-yl)-1H- pyrazolo[3,4-d]pyrimidine","","- C25 H34 N10 S2 -","- C25 H34 N10 S2 -","- C100 H136 N40 S8 -","4","2","BM1510","Avasthi, Kamlakar; Farooq, Sheikh M.; Tewari, Ashish K.; Sharon, Ashoke; Maulik, Prakas R.","Intermolecular stacking in pyrazolo[3,4-<i>d</i>]pyrimidine-based pentamethylene-linked flexible molecules","Acta Crystallographica Section C","2003","59","1","o42","o45","10.1107/S0108270102020681","","","0.71073","MoKα","","0.109","0.057","","","0.127","0.15","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013110","7.0855","0.001","7.0855","0.001","26.99","0.005","90","","90","","90","","1355","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2-amino-6-chloropurine","","- C5 H4 Cl N5 -","- C5 H4 Cl N5 -","- C40 H32 Cl8 N40 -","8","1","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.067","0.0384","","","0.0762","0.0833","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013111","13.353","0.003","7.743","0.002","47.6","0.01","90","","95.85","0.03","90","","4896","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-6-(4-chlorophenylthio)purine hemihydrate","","- C11 H9 Cl N5 O0.5 S -","- C11 H9 Cl N5 O0.5 S -","- C176 H144 Cl16 N80 O8 S16 -","16","2","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.0568","0.0396","","","0.0976","0.1048","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013112","10.8074","0.0002","11.6355","0.0003","15.3922","0.0003","85.468","0.002","83.265","0.001","79.7992","0.0009","1888.46","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-(4-methylphenylthio)purine 1/3hydrate","","- C12 H11.667 N5 O0.333 S -","- C12 H11.6667 N5 O0.333333 S -","- C72 H70 N30 O2 S6 -","6","3","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.15","0.0548","","","0.102","0.128","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013113","7.126","0.003","12.32","0.004","13.905","0.005","90","","90","","90","","1220.8","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9,12-diiodo-ortho-carborane","9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","BM1513","Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J.","9,12-Diiodo-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2003","59","2","o74","o76","10.1107/S0108270102023582","","","0.71073","MoKα","","0.0204","0.019","","","0.046","0.0465","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013114","22.335","0.0001","10.9094","0.0002","22.1061","0.0002","90","","90","","90","","5386.4","0.11","290","2","290","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.044","0.037","","","0.097","0.104","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013115","22.1974","0.0002","10.7761","0.0001","22.0365","0.0001","90","","90","","90","","5271.16","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.04","0.037","","","0.095","0.099","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013116","12.9265","0.0013","13.6798","0.0014","18.531","0.0019","84.258","0.009","76.394","0.008","65.092","0.008","2888.7","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H69 Cl8 N11 O37 -","- C33 H69 Cl8 N11 O37 -","- C66 H138 Cl16 N22 O74 -","2","1","BM1519","McKee, Vickie; Morgan, Grace G.","A perchlorate salt of an octaprotonated cryptand","Acta Crystallographica Section C","2003","59","3","o150","o152","10.1107/S0108270103002580","","","0.71073","MoKα","","0.0595","0.0435","","","0.104","0.113","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013117","5.0242","0.0003","14.6263","0.001","12.9024","0.0009","90","","93.835","0.002","90","","946.02","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hemimellitic acid methyl ester","Methyl 2,6-dicarboxybenzoate","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","BM1520","Dale, Sophie H.; Elsegood, Mark R. J.","Methyl 2,6-dicarboxybenzoate","Acta Crystallographica Section C","2003","59","3","o165","o166","10.1107/S0108270103002610","","","0.71073","MoKα","","0.044","0.033","","","0.085","0.094","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013118","21.6279","0.0002","11.8266","0.0001","20.8023","0.0003","90","","96.4448","0.0005","90","","5287.28","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole- κN^2^]copper(II)}","","- C48 H56 Cl6 Cu4 N8 O -","- C48 H56 Cl6 Cu4 N8 O -","- C192 H224 Cl24 Cu16 N32 O4 -","4","0.5","BM1524","Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A.","Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κ<i>N</i>^2^]copper(II)}","Acta Crystallographica Section C","2003","59","3","m100","m102","10.1107/S0108270103002853","","","0.71073","MoKα","","0.046","0.036","","","0.094","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013119","9.2","0.003","22.465","0.005","9.708","0.003","90","","94.06","0.03","90","","2001.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-b]pyridine-2-carboxylate","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","1","DE1192","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","Ethyl 3-amino-6-phenyl-4-tolylthieno[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section C","2003","59","1","o30","o32","10.1107/S0108270102020437","","","0.7093","MoKα1","","0.126","0.058","","","0.138","0.156","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013120","9.9351","0.0016","11.149","0.0017","27.977","0.004","90","","90","","90","","3098.9","0.8","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(6,6'-dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide)","","- C37 H32 O5 P2 -","- C37 H32 O5 P2 -","- C148 H128 O20 P8 -","4","1","DE1193","Qiu, Li Qin; Qi, Jian Ying; Ji, Jian Xin; Zhou, Zhong Yuan; Yeug, Chi Hung; Choi, Michael C. K.; Chan, Albert S. C.","(<i>R</i>)-(6,6'-Dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) methanol solvate","Acta Crystallographica Section C","2003","59","1","o33","o35","10.1107/S0108270102021042","","","0.71073","MoKα","","0.099","0.042","","","0.062","0.075","","","","","","0.833","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013121","4.561","0.0008","8.898","0.0017","13.562","0.003","90","","92.138","0.005","90","","550.01","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N^6^-furfuryladenine hydrochloride","N^6^-furfuryladenin-3-ium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C20 H20 Cl2 N10 O2 -","2","1","DE1200","Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J.","<i>N</i>^6^-Furfuryladenine (kinetin) hydrochloride","Acta Crystallographica Section C","2003","59","1","o27","o29","10.1107/S0108270102021030","","","0.71073","MoKα","","0.058","0.048","","","0.119","0.125","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013122","7.995","0.003","26.611","0.005","5.4348","0.0007","90","","90","","90","","1156.3","0.5","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Carboxy-L-aspartic anhydride benzyl ester","Benzyl (1,2,3,4-tetrahydro-2,5-dioxo-1,3-oxazol-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","DE1204","Kanazawa, Hitoshi; Magoshi, Jun","<i>N</i>-Carboxy-<small>L</small>-aspartic anhydride benzyl ester","Acta Crystallographica Section C","2003","59","3","o159","o161","10.1107/S0108270103002567","","","0.71073","MoKα","","","0.054","","","","0.076","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013123","9.4157","0.0003","9.6893","0.0003","13.9473","0.0004","90","","92.91","0.01","90","","1270.79","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'S)-2',2'-dichloro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 Cl2 N O -","- C12 H13 Cl2 N O -","- C48 H52 Cl8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-<i>N</i>-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0419","0.0313","","","0.0671","0.0708","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013124","9.2402","0.0004","14.2669","0.0005","9.3542","0.0004","90","","109.33","0.01","90","","1163.64","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,1'R)-2',2'-difluoro-N-(1-phenylethyl)cyclopropane-1'-carboxamide","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","2","DE1205","Yufit, Dmitrii S.; Howard, Judith A.K.","Two 2,2-dihalo-<i>N</i>-(1-phenylethyl)cyclopropane-1-carboxamides","Acta Crystallographica Section C","2003","59","3","o141","o143","10.1107/S0108270103002312","","","0.71073","MoKα","","0.0918","0.0454","","","0.0729","0.0844","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013125","5.977","0.003","5.224","0.003","11.972","0.006","90","","104.383","0.01","90","","362.1","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Iodonitrobenzene","3-iodo-1-nitrobenzene","","- C6 H4 I N O2 -","- C6 H4 I N O2 -","- C12 H8 I2 N2 O4 -","2","1","DN1017","Merz, Klaus","Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene","Acta Crystallographica Section C","2003","59","2","o65","o67","10.1107/S0108270102023041","","","0.71073","MoKα","","0.056","0.046","","","0.108","0.112","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013126","13.842","0.009","8.164","0.005","15.288","0.009","90","","101.766","0.012","90","","1691.3","1.8","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-Iodo-5-dinitro-benzene","3-iodo-1,5-dinitro-benzene","","- C6 H3 I N2 O4 -","- C6 H3 I N2 O4 -","- C48 H24 I8 N16 O32 -","8","1","DN1017","Merz, Klaus","Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene","Acta Crystallographica Section C","2003","59","2","o65","o67","10.1107/S0108270102023041","","","0.71073","MoKα","","0.052","0.037","","","0.08","0.084","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013127","10.4878","0.0002","12.2591","0.0002","11.975","0.0003","90","","95.029","0.001","90","","1533.71","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[7,13-bis(2-aminobenzyl)-1,4,10-trioxa- 7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","","- C26 H36 Ba N6 O3 S2 -","- C26 H36 Ba N6 O3 S2 -","- C52 H72 Ba2 N12 O6 S4 -","2","1","FA1001","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; De Blas, Andres; Rodríguez-Blas, Teresa","[7,13-Bis(2-aminobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane]diisothiocyanatobarium(II)","Acta Crystallographica Section C","2003","59","1","m16","m17","10.1107/S0108270102021571","","","0.7107","MoKα","","0.111","0.054","","","0.08","0.099","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013128","7.71","0.002","32.35","0.005","5.4838","0.0006","90","","90","","96.82","0.013","1358.1","0.4","293","2","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","","- Ca4 Na Nb5 O17 -","- Ca4 Na Nb5 O17 -","- Ca16 Na4 Nb20 O68 -","4","1","FA1002","Zúñiga, F. J.; Darriet, J.","NaCa~4~Nb~5~O~17~: a layered perovskite <i>A</i>~<i>n~</i><i>B</i>~<i>n~</i>O~3<i>n~+2</i> compound","Acta Crystallographica Section C","2003","59","2","i18","i20","10.1107/S0108270102022746","","","0.71069","MoKα","","","0.028","","","","0.071","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013129","13.021","0.003","5.516","0.002","7.358","0.002","90","","106.5","0.03","90","","506.7","0.3","85","2","85","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","calcium bis(2-phosphonoacetate)","poly[calcium(II)-di-μ-carboxymethylphosphonato]","","- C4 H8 Ca O10 P2 -","- C4 H8 Ca O10 P2 -","- C8 H16 Ca2 O20 P4 -","2","0.5","FA1003","Ślepokura, Katarzyna; Lis, Tadeusz","Polymeric bis(phosphonomethylcarboxylato)calcium(II) at 85K","Acta Crystallographica Section C","2003","59","3","m76","m78","10.1107/S0108270102023302","","","0.71073","MoKα","","0.023","0.02","","","0.05","0.051","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013130","6.4672","0.0004","12.4977","0.001","16.1074","0.0008","90","","95.024","0.006","90","","1296.88","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(6-bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3-dioxaborolane","","- C11 H15 B Br N O2 -","- C11 H15 B Br N O2 -","- C44 H60 B4 Br4 N4 O8 -","4","1","FA1004","Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain","2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry","Acta Crystallographica Section C","2003","59","3","o111","o113","10.1107/S0108270103000908","","","0.71069","MoKα","","0.141","0.068","","","0.176","0.217","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013131","7.4991","0.0009","6.9178","0.0005","13.8251","0.0015","90","","96.574","0.012","90","","712.49","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6-bromopyridin-3-yl)boronic acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","FA1004","Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Bouillon, Alexandre; Rault, Sylvain","2-(6-Bromopyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and (6-bromopyridin-3-yl)boronic acid, new bifunctional building blocks for combinatorial chemistry","Acta Crystallographica Section C","2003","59","3","o111","o113","10.1107/S0108270103000908","","","0.71069","MoKα","","0.099","0.049","","","0.111","0.129","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013132","9.5691","0.0008","14.8261","0.0013","15.711","0.0013","101.726","0.002","101.994","0.002","91.566","0.002","2129.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44.5 Ba Cl2 N5.5 O12 -","- C36 H44.5 Ba Cl2 N5.5 O12 -","- C72 H89 Ba2 Cl4 N11 O24 -","2","1","FA1006","Avecilla, Fernando; Esteban, David; Platas‒Iglesias, Carlos; De Blas, Andres; Rodríguez‒Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol Schiff base spacer","Acta Crystallographica Section C","2003","59","3","m93","m94","10.1107/S0108270103002798","","","0.71073","MoKα","","0.0584","0.0447","","","0.1173","0.1258","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","189185","2020-10-21","18:00:00",""
"2013133","9.597","0.0019","10.073","0.002","12.755","0.003","95.04","0.03","111.77","0.03","113.46","0.03","1009.5","0.6","210","2","210","0.1","","","","","","","","5","P -1","-P 1","2","","Isopropylimidoisopropyamido-bis(isopropylamine)dichlorotantalum(V)","","- C12 H33 Cl2 N4 Ta -","- C12 H33 Cl2 N4 Ta -","- C24 H66 Cl4 N8 Ta2 -","2","1","FG1670","Matthew C. Burland; Tara Y. Meyer; Steven J. Geib","Dichloro(isopropylamido)bis(isopropylamine)(isopropylimido)tantalum(V), a monomeric Ta^V^ compound with imido, amido and amino moieties","Acta Crystallographica Section C","2003","59","2","m46","m48","10.1107/S0108270102022072","","","0.71073","MoKα","","0.05","0.0398","","","0.1048","0.1091","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013134","9.5234","0.0004","7.4343","0.0004","12.1939","0.0006","90","","108.777","0.002","90","","817.38","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(carbamoyldicyanomethanido-κN)manganese(II) dihydrate","","- C8 H16 Mn N6 O8 -","- C8 H16 Mn N6 O8 -","- C16 H32 Mn2 N12 O16 -","2","0.5","FG1671","Schlueter, John A.; Geiser, Urs; Manson, Jamie L.","Tetraaquabis(carbamoyldicyanomethanido-κ<i>N</i>)manganese(II) dihydrate","Acta Crystallographica Section C","2003","59","1","m1","m3","10.1107/S0108270102020334","","","0.71073","MoKα","","0.023","0.021","","","0.058","0.059","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013135","10.2172","0.0002","10.374","0.0003","10.8197","0.0003","84.2355","0.0012","68.9131","0.0012","76.9692","0.001","1042.23","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-P,P'-methylenebis(diisopropyl phosphonate)-κ^3^O,O':O]bis[chlorolithium(I)]","","- C26 H60 Cl2 Li2 O12 P4 -","- C26 H60 Cl2 Li2 O12 P4 -","- C26 H60 Cl2 Li2 O12 P4 -","1","0.5","FG1675","Henderson, Kenneth W.; Kennedy, Alan R.; MacDougall, Dugald J.; Strachan, Diane","Bis[μ-<i>P</i>,<i>P</i>'-methylenebis(diisopropyl phosphonate)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]bis[chlorolithium(I)]: a centrosymmetric dimer of lithium chloride with terminal chloride anions","Acta Crystallographica Section C","2003","59","2","m49","m51","10.1107/S0108270102022795","","","0.71073","MoKα","","0.053","0.042","","","0.107","0.116","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013136","8.287","0.0009","14.061","0.003","14.9685","0.0015","90","","90","","90","","1744.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-sparteine copper(II) diazide","(diazido-N)[(-)-sparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","FG1677","Kim, Yong-Kyu; Kim, Bun-Joo; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Bis(azido-κ<i>N</i>)[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2003","59","2","m64","m66","10.1107/S0108270103000684","","","0.71073","MoKα","","0.1211","0.0587","","","0.123","0.171","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013137","8.609","0.0008","13.0658","0.0012","7.2047","0.0007","90","","115.418","0.002","90","","731.96","0.12","292","2","292","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","celsian","Barium aluminium silicate","","- Al1.6 Ba0.8 O8 Si2.4 -","- Al1.5952 Ba0.7976 O8 Si2.4048 -","- Al6.3808 Ba3.1904 O32 Si9.6192 -","4","0.5","FG1678","Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.","Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06)","Acta Crystallographica Section C","2003","59","2","i11","i14","10.1107/S0108270102023053","","","0.71073","MoKα","","0.026","0.022","","","0.055","0.056","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013138","8.633","0.006","13.063","0.008","7.214","0.005","90","","115.17","0.05","90","","736.3","0.9","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","celsian","Barium aluminium silicate","","- Al1.88 Ba0.94 O8 Si2.12 -","- Al1.876 Ba0.938 O8 Si2.124 -","- Al7.504 Ba3.752 O32 Si8.496 -","4","0.5","FG1678","Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S.","Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06)","Acta Crystallographica Section C","2003","59","2","i11","i14","10.1107/S0108270102023053","","","0.71073","MoKα","","0.032","0.032","","","0.095","0.095","","","","","","1.364","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013139","16.9558","0.0003","18.1603","0.0002","22.2255","0.0001","90","","90","","90","","6843.73","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C240 H192 Au16 Cl16 P16 -","8","1","FG1679","Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M.","[μ-<i>o</i>-Phenylenebis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>']bis[chlorogold(I)], dppbz(AuCl)~2~","Acta Crystallographica Section C","2003","59","3","m84","m86","10.1107/S0108270103002154","","","0.71073","MoKα","","0.089","0.043","","","0.066","0.076","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013140","13.4882","0.0015","12.2569","0.0013","19.6281","0.0018","90","","94.113","0.012","90","","3236.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ~3~-oxo-oxopenta-μ-phosphato-diboron vanadium bis(1,4-diazonia[2.2.2]octane) monohydrate phosphoric acid solvate","","- C12 H38 B2 N4 O27 P6 V -","- C12 H38 B2 N4 O27 P6 V -","- C48 H152 B8 N16 O108 P24 V4 -","4","1","FG1684","Wikstad, Emma; Kritikos, Mikael","(C~6~H~14~N~2~)~2~[VO(HPO~4~)~5~B~2~O]·H~2~O·H~3~PO~4~, a novel borophosphate cluster containing a single vanadium centre and linked by hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2003","59","3","m87","m89","10.1107/S0108270103002683","","","0.71073","MoKα","","0.051","0.037","","","0.098","0.113","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013141","6.323","0.003","14.575","0.004","19.776","0.004","69.53","0.03","81.2","0.04","79.14","0.04","1669.3","1","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H32 -","- C47 H32 -","- C94 H64 -","2","1","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71073","MoKα","","0.1326","0.0642","","","0.1231","0.1498","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013142","13.299","0.007","5.229","0.003","21.196","0.011","90","","92.54","0.015","90","","1472.5","1.4","300","2","300","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 -","- C44 H26 -","- C88 H52 -","2","0.5","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71069","MoKα","","0.178","0.0788","","","0.1353","0.1821","","","","","","1.149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013143","35.483","0.01","5.8875","0.0015","15.919","0.005","90","","109.932","0.006","90","","3126.4","1.5","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 O -","- C44 H26 O -","- C176 H104 O4 -","4","0.5","FR1389","Perera, K. Prasanna U.; Abboud, Khalil A.; Smith Jr, Dennis W.; Krawiec, Mariusz","Three bis-<i>ortho</i>-diynylarenes (BODA)","Acta Crystallographica Section C","2003","59","3","o107","o110","10.1107/S0108270102023594","","","0.71069","MoKα","","0.1277","0.0648","","","0.145","0.184","","","","","","1.153","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013144","12.697","0.003","12.24","0.005","11.509","0.004","90","","106.79","0.02","90","","1712.4","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,8-Dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","2","FR1401","Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.","Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer","Acta Crystallographica Section C","2003","59","2","o57","o59","10.1107/S0108270102022369","","","0.71073","MoKα","","0.091","0.055","","","0.137","0.158","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013145","11.571","0.005","27.069","0.01","10.754","0.005","90","","90","","90","","3368","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","7,7'-Oxybis(2,8-dioxatricyclo[3.3.3.0^1,5^]undecan-3-one)","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","0.5","FR1401","Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.","Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer","Acta Crystallographica Section C","2003","59","2","o57","o59","10.1107/S0108270102022369","","","0.71073","MoKα","","0.105","0.05","","","0.07","0.082","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013146","12.334","0.002","12.765","0.002","12.832","0.002","84.32","0.02","66.41","0.02","71.1","0.02","1750.6","0.6","293","1","293","1","","","","","","","","7","P -1","-P 1","2","","Dichloro[2,2'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13- diyl)dinaphthalenolato-κ^2^O,O']dimethyltin(IV) acetonitrile solvate","","- C33 H39 Cl2 N3 O2 S2 Sn -","- C33 H38.412 Cl2 N3 O2 S2 Sn -","- C66 H76.824 Cl4 N6 O4 S4 Sn2 -","2","1","FR1402","Bajue, Stanley A.; Gumbs, Shellie; Jones, Lauren; Bramwell, Fitzgerald B.; Patrick, Brian O.; Selegue, John P.; Brock, Carolyn Pratt","Dichloro[1,1'-(5,9-dithia-2,12-diazoniatrideca-1,12-diene-1,13-diyl)dinaphthalen-2-olato-κ^2^<i>O</i>,<i>O</i>']dimethyltin(IV) acetonitrile solvate","Acta Crystallographica Section C","2003","59","1","m10","m12","10.1107/S0108270102021091","","","0.7107","MoKα","","0.037","0.03","","","0.073","0.077","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013147","12.2129","0.0017","11.5137","0.0016","15.456","0.002","90","","90","","90","","2173.4","0.5","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium benzoate","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","FR1405","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","2-Aminopyridinium benzoate","Acta Crystallographica Section C","2003","59","1","o51","o52","10.1107/S0108270102022333","","","0.71073","MoKα","","0.065","0.036","","","0.083","0.088","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013148","6.617","0.001","7.316","0.001","10.421","0.002","71.47","0.01","73.44","0.02","77.29","0.01","453.81","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","9-oxobicyclo[3.3.1]nonane-3α-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","FR1406","Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.","The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the <i>endo</i> acid and the lactol of the <i>exo</i> acid","Acta Crystallographica Section C","2003","59","3","o167","o170","10.1107/S0108270103001495","","","0.71073","MoKα","","0.067","0.042","","","0.095","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013149","7.331","0.004","9.288","0.007","12.669","0.007","90","","92.64","0.02","90","","861.7","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-oxobicyclo[3.3.1]nonane-3β-carboxylic acid lactol","8-hydroxy-9-oxatricyclo[5.3.1.0^3,8^]undecan-10-one'","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","FR1406","Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W.","The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the <i>endo</i> acid and the lactol of the <i>exo</i> acid","Acta Crystallographica Section C","2003","59","3","o167","o170","10.1107/S0108270103001495","","","0.71073","MoKα","","0.043","0.033","","","0.079","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013150","13.29","0.003","6.825","0.003","14.3316","0.0018","90","","92.596","0.015","90","","1298.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","FR1407","Shang Shan; Duan-Jun Xu; Chen-Hsiung Hung; Jing-Yun Wu; Michael Y. Chiang","Benzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o135","o136","10.1107/S0108270103002464","","","0.71069","MoKα","","0.112","0.04","","","0.111","0.141","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013151","21.756","0.005","23.531","0.005","5.628","0.0011","90","","90","","90","","2881.2","1.1","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Bis(2-aminopyridinium) maleate","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C112 H128 N32 O32 -","8","0.5","FR1408","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","Bis(2-aminopyridinium) maleate","Acta Crystallographica Section C","2003","59","3","o105","o106","10.1107/S0108270103001586","","","0.71073","MoKα","","0.029","0.026","","","0.069","0.072","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013152","8.928","0.002","18.596","0.004","10.015","0.002","90","","99.822","0.006","90","","1638.4","0.6","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrakis(2'-vinylpyridyl)benzene-dichloromethane (1:2)","1,2,4,5-tetrakis(2'-vinylpyridyl)benzene-dichloromethane (1:2)","","- C36 H30 Cl4 N4 -","- C36 H30 Cl4 N4 -","- C72 H60 Cl8 N8 -","2","0.5","GA1001","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","1,2,4,5-Tetrakis(2-vinylpyridyl)benzene‒dichloromethane (1/2)","Acta Crystallographica Section C","2003","59","3","o114","o116","10.1107/S0108270103001276","","","0.71073","MoKα","","0.1096","0.0653","","","0.1187","0.1369","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013153","7.132","0.001","10.375","0.001","11.1","0.001","90","","91.35","0.01","90","","821.11","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[[[diaquazinc(II)]-μ-oxydiacetato]hydrate]","","- C4 H10 O8 Zn -","- C4 H10 O8 Zn -","- C16 H40 O32 Zn4 -","4","1","GA1002","Baggio, Ricardo; Garland, María Teresa; Perec, Mireille","A new polymeric phase of zinc(II) oxydiacetate","Acta Crystallographica Section C","2003","59","1","m30","m32","10.1107/S0108270102021959","","","0.71073","MoKα","","0.029","0.025","","","0.062","0.064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013154","5.858","0.002","8.232","0.002","19.241","0.006","90","","91.315","0.01","90","","927.6","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","sarcophine 13","2(R)-[(1E,3E,7S,8S,11E,13R)-13-hydroxy-4,8,12-trimethyl- 7,8-epoxycyclotetradeca-1,3,11-trien-1-yl]propane-1,2-diol","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","GA1004","Fahmy, Hesham; Zjawiony, Jordan K.; Khalifa, Sherief; Fronczek, Frank R.","A semi-synthetic analog of the cembranoid sarcophine","Acta Crystallographica Section C","2003","59","2","o85","o87","10.1107/S0108270103001288","","","0.71073","MoKα","","0.042","0.036","","","0.085","0.089","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013155","5.0733","0.001","18.465","0.004","10.029","0.002","90","","115.12","0.03","90","","850.6","0.4","185","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Br N O4 S -","- C5 H6 Br N O4 S -","- C20 H24 Br4 N4 O16 S4 -","4","1","GA1005","Strauss, Laura H.; Abzianidze, Victoria V.; Berestovitskaya, Valentina M.; Efremova, Irina E.","5-Bromo-2,3-dihydro-4-methyl-3-nitrothiophene 1,1-dioxide","Acta Crystallographica Section C","2003","59","3","o177","o178","10.1107/S0108270103000842","","","0.71073","MoKα","","0.044","0.031","","","0.068","0.073","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013156","12.081","0.002","12.6","0.002","13.95","0.003","82.32","0.03","71.63","0.03","83.05","0.03","1990.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Arsenic phthalocyanine‒arsenic iodide'","Bis{[phthalocyaninato(2-)]arsenic(III)} tetradecaiodotetraarsenic(III)","","- C64 H32 As6 I14 N16 -","- C64 H32 As6 I14 N16 -","- C64 H32 As6 I14 N16 -","1","0.5","GD1232","Janczak, Jan; Kubiak, Ryszard","Bis{[phthalocyaninato(2‒)]arsenic(III)} tetradecaiodotetraarsenic(III)","Acta Crystallographica Section C","2003","59","2","m70","m72","10.1107/S0108270102020759","","","0.71073","MoKα","","0.04","0.027","","","0.053","0.057","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013157","9.3867","0.0003","16.5328","0.0005","11.3189","0.0003","90","","118.118","0.002","90","","1549.25","0.08","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","GD1236","Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Cisneros, Carlos","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2003","59","1","o38","o39","10.1107/S0108270102021881","","","0.71073","MoKα","","0.091","0.047","","","0.103","0.13","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013158","15.6382","0.0012","8.8403","0.0007","29.595","0.002","90","","103.672","0.002","90","","3975.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl3 Li N10 O15 Zn2 -","- C24 H58 Cl3 Li N10 O15 Zn2 -","- C96 H232 Cl12 Li4 N40 O60 Zn8 -","4","1","GD1237","Blake, Alexander J.; Tei, Lorenzo; Schröder, Martin; Wilson, Claire","A zinc‒lithium complex of 4,7-bis(2-aminoethyl)-1,4,7-triazacyclononane-1-acetate","Acta Crystallographica Section C","2003","59","2","m43","m45","10.1107/S0108270102021947","","","0.71073","MoKα","","0.1215","0.0575","","","0.117","0.1389","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2013159","7.9563","0.0005","16.3464","0.0011","12.0088","0.001","90","","94.128","0.005","90","","1557.78","0.19","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-ferrocenylbenzoate","","- C19 H18 Fe O2 -","- C19 H18 Fe O2 -","- C76 H72 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.034","0.028","","","0.075","0.079","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013160","9.3406","0.0009","10.1663","0.0006","17.9072","0.001","90","","90.136","0.006","90","","1700.5","0.2","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Isopropyl 4-ferrocenylbenzoate","","- C20 H20 Fe O2 -","- C20 H20 Fe O2 -","- C80 H80 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.067","0.043","","","0.097","0.109","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013161","10.1876","0.0007","18.8055","0.0015","16.7034","0.0013","90","","94.59","0.007","90","","3189.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-Boc-1'-aminoferrocene-1-carboxylic acid","1'-(tert-butoxycarbonylamino)ferrocene-1-carboxylic acid","","- C16 H19 Fe N O4 -","- C16 H19 Fe N O4 -","- C128 H152 Fe8 N8 O32 -","8","2","GD1239","Pavlović, Gordana; Barišić, Lidija; Rapić, Vladimir; Kovač, Veronika","Ferrocene compounds. XXXIV. 1'-(<i>tert</i>-Butoxycarbonylamino)ferrocene-1-carboxylic acid","Acta Crystallographica Section C","2003","59","2","m55","m57","10.1107/S0108270102023156","","","0.71073","MoKα","","0.234","0.061","","","0.081","0.113","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013162","7.4715","0.0006","7.7082","0.0007","9.1435","0.0006","97.429","0.006","112.808","0.005","110.666","0.006","432.02","0.07","296","1","296","1","","","","","","","","5","P 1","P 1","1","dibromo[(-)-sparteine-κ^2^N,N']zinc(II)","dibromo[(6R,7S,8S,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","1","1","GD1241","Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael","The triclinic polymorph of dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2003","59","3","m79","m81","10.1107/S0108270103001483","","","0.71073","MoKα","","0.0504","0.0395","","","0.0908","0.0969","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013163","7.5503","0.0002","23.5347","0.0009","11.105","0.0004","90","","102.427","0.002","90","","1927.06","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 Ni O8 -","- C18 H20 N2 Ni O8 -","- C72 H80 N8 Ni4 O32 -","4","1","GD1242","Hong-Ping Xiao; Zhan Shi; Long-Guan Zhu; Ru-Ren Xu; Wen-Qin Pang","Tetraaqua(2,2'-bipyridine)nickel(II) terephthalate","Acta Crystallographica Section C","2003","59","3","m82","m83","10.1107/S0108270103002087","","","0.71073","MoKα","","0.0847","0.0478","","","0.1129","0.1258","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013164","8.7825","0.0008","16.209","0.002","16.7077","0.0016","112.555","0.009","104.477","0.007","95.876","0.01","2073.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)","","- C13 H10 N Ni S10 -","- C13 H10 N Ni S10 -","- C52 H40 N4 Ni4 S40 -","4","2","GG1142","Xue, Gang; Xu, Wen; Yu, Wentao; Fang, Qi","<i>N</i>-Ethylpyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate","Acta Crystallographica Section C","2003","59","1","m27","m29","10.1107/S0108270102020115","","","0.71073","MoKα","","0.076","0.043","","","0.099","0.118","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013165","7.1219","0.0015","10.694","0.002","14.71","0.003","90","","101.996","0.004","90","","1095.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Risedronate monohydrate","[1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl] phosphonate monohydrate","","- C7 H13 N O8 P2 -","- C7 H13 N O8 P2 -","- C28 H52 N4 O32 P8 -","4","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.081","0.043","","","0.094","0.108","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013166","7.663","0.004","8.039","0.004","10.77","0.005","93.655","0.008","95.277","0.009","96.017","0.008","655.2","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Risedronate monosodium dihydrate","sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) dihydrate","","- C7 H14 N Na O9 P2 -","- C7 H14 N Na O9 P2 -","- C14 H28 N2 Na2 O18 P4 -","2","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.061","0.04","","","0.091","0.1","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013167","21.664","0.007","8.93","0.003","15.123","0.005","90","","114.692","0.005","90","","2658.2","1.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Risedronate monosodium hemi-pentahydrate","sodium [1-hydroxy-2-(pyridinium-3-yl)ethane-1,2-diyl]bis(phosphonate) 2.5-hydrate","","- C7 H15 N Na O9.5 P2 -","- C7 H15 N Na O9.5 P2 -","- C56 H120 N8 Na8 O76 P16 -","8","1","GG1145","Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures","Acta Crystallographica Section C","2003","59","2","m33","m36","10.1107/S0108270102021996","","","0.71073","MoKα","","0.036","0.03","","","0.079","0.082","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013168","14.144","0.005","10.907","0.003","9.052","0.003","90","","104.196","0.005","90","","1353.8","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 N O7 P2 -","- C8 H21 N O7 P2 -","- C32 H84 N4 O28 P8 -","4","1","GG1146","Van Brussel, Erin M.; Gossman, William L.; Wilson, Scott R.; Oldfield, Eric","Hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate (hydronium incadronate)","Acta Crystallographica Section C","2003","59","2","o93","o94","10.1107/S0108270102020450","","","0.71073","MoKα","","0.0935","0.0578","","","0.1463","0.1622","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013169","12.4954","0.0004","13.0617","0.0005","14.9097","0.0007","90","","103.484","0.0013","90","","2366.35","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7,12,17-tetraoxa-3,4;5,6;13,14;15,16-tetrabenzodispiro[8.1.8.0]nonadecane","","- C31 H26 O4 -","- C31 H26 O4 -","- C124 H104 O16 -","4","1","GG1148","Stadnicka, Katarzyna; Szlachcic, Paweł","2,7,12,17-Tetraoxa-3,4:5,6:13,14:15,16-tetrabenzodispiro[8.1.8.0]nonadecane","Acta Crystallographica Section C","2003","59","3","o129","o131","10.1107/S0108270103001963","","","0.71073","MoKα","","0.0527","0.0392","","","0.0985","0.1092","","","","","","0.924","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013170","12.319","0.002","10.976","0.002","22.826","0.004","90","","90","","90","","3086.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","7,16-diazonia-18-crown-6-bis(4-aminobenzenesulfonate) dihydrate","1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(4-aminobenzenesulfonate) dihydrate","","- C24 H44 N4 O12 S2 -","- C24 H44 N4 O12 S2 -","- C96 H176 N16 O48 S8 -","4","0.5","GG1151","Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A.","The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2)","Acta Crystallographica Section C","2003","59","2","o88","o90","10.1107/S010827010300129X","","","0.71073","MoKα","","0.076","0.042","","","0.106","0.118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013171","8.23","0.0016","9.341","0.0018","12.594","0.003","73.91","0.03","88.14","0.03","70.8","0.03","876.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N-phenylcarbonylthiourea","1-benzoylthiourea","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C32 H32 N8 O4 S4 -","4","2","GG1152","Wagner, Paweł; Niemczyk-Baltro, Sabina; Kubicki, Maciej","<i>N</i>-Benzoylthiourea","Acta Crystallographica Section C","2003","59","2","o83","o84","10.1107/S0108270103001161","","","0.71073","MoKα","","0.089","0.034","","","0.066","0.071","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013172","29.158","0.002","13.9891","0.001","9.9578","0.0007","90","","91.597","0.005","90","","4060.2","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Pomiferin","3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one","","- C25 H24 O6 -","- C25 H24 O6 -","- C200 H192 O48 -","8","1","GG1154","Marek, Jaromír; Veselá, Dagmar; Lišková, Margita; Žemlička, Milan","Pomiferin","Acta Crystallographica Section C","2003","59","3","o127","o128","10.1107/S0108270103002300","","","0.71073","MoKα","","0.052","0.042","","","0.089","0.095","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013173","10.562","0.0007","11.4321","0.0018","13.7109","0.0013","90","","91.587","0.009","90","","1654.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(7-aminobenzothiazole)zinc(II) chloride","Bis(7-amino-1,3-benzothiazole-κN^3^)dichlorozinc(II)","","- C14 H12 Cl2 N4 S2 Zn -","- C14 H12 Cl2 N4 S2 Zn -","- C56 H48 Cl8 N16 S8 Zn4 -","4","1","JZ1531","Popović, Zora; Pavlović, Gordana; Soldin, Željka; Tralić-Kulenović, Vesna; Racané, Livio","Bis(7-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichlorozinc(II)","Acta Crystallographica Section C","2003","59","1","m4","m6","10.1107/S0108270102020668","","","0.71073","MoKα","","0.069","0.032","","","0.066","0.075","","","","","","1.016","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013174","14.41","0.02","7.282","0.006","14.672","0.002","90","","99.96","0.06","90","","1516","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-chloroacetyl-β-alanine","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C40 H64 Cl8 N8 O24 -","8","1","JZ1532","Urpí, Lourdes; Jiménez, Katia; Solans, Xavier; Rodríguez-Galán, Alfonso; Puiggalí, Jordi","<i>N</i>-Chloroacetyl-β-alanine","Acta Crystallographica Section C","2003","59","1","o24","o26","10.1107/S0108270102020814","","","0.71073","MoKα","","0.1075","0.0522","","","0.1234","0.1448","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013175","7.1816","0.0004","9.6857","0.0005","10.1259","0.0005","67.825","0.001","72.047","0.001","83.078","0.001","620.48","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[silver(I)-μ-ethylenediamine-κ^2^N:N'] 3-nitrobenzoate monohydrate]","","- C9 H14 Ag N3 O5 -","- C9 H14 Ag N3 O5 -","- C18 H28 Ag2 N6 O10 -","2","1","JZ1543","Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Hai-Liang Zhu; Xian-Jiang Wang","Polymeric structure of (ethylenediamine)silver(I) 3-nitrobenzoate monohydrate","Acta Crystallographica Section C","2003","59","3","m97","m99","10.1107/S0108270103003433","","","0.71073","MoKα","","0.0249","0.0231","","","0.0546","0.0554","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013176","10.3302","0.0006","12.8582","0.0007","13.827","0.0008","87.432","0.001","74.956","0.001","76.067","0.001","1721.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(O-ethyldithiocarbonato-κ^2^S,S')bis(triphenylphosphine-κP)silver(I)","","- C39 H35 Ag O P2 S2 -","- C39 H35 Ag O P2 S2 -","- C78 H70 Ag2 O2 P4 S4 -","2","1","JZ1546","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","A new polymorph of (<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-κ<i>P</i>)silver(I)","Acta Crystallographica Section C","2003","59","3","m107","m108","10.1107/S0108270103003445","","","0.71073","MoKα","","0.0392","0.0316","","","0.0654","0.0671","","","","","","0.935","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013177","10.1931","0.0007","10.5503","0.0005","11.956","0.0007","90.932","0.004","103.252","0.005","101.923","0.005","1221.78","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [3-methyl-1-(3-phenylthioureido)butyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C48 H54 N4 O6 P2 S2 -","2","1","LN1150","Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László","Two derivatives of (<i>N</i>-phenylthioureidoalkyl)phosphonates","Acta Crystallographica Section C","2003","59","1","o46","o50","10.1107/S0108270102021820","","","0.71073","MoKα","","0.079","0.049","","","0.134","0.153","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013178","9.9402","0.0004","16.7505","0.0006","14.1979","0.0005","90","","91.973","0.003","90","","2362.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diphenyl [2-methyl-1-(3-phenylthioureido)butyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C96 H108 N8 O12 P4 S4 -","4","1","LN1150","Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László","Two derivatives of (<i>N</i>-phenylthioureidoalkyl)phosphonates","Acta Crystallographica Section C","2003","59","1","o46","o50","10.1107/S0108270102021820","","","0.71073","MoKα","","0.066","0.045","","","0.118","0.132","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013179","16.055","0.004","6.2858","0.0017","16.895","0.005","90","","109.299","0.005","90","","1609.2","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","dhurrin","(2R)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile dihydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","LN1156","Calderón, Angela I.; Terreaux, Christian; Gupta, Mahabir P.; Hostettmann, Kurt; Schenk, Kurt J.","Taxiphyllin from <i>Henriettella fascicularis</i>","Acta Crystallographica Section C","2003","59","3","o174","o176","10.1107/S0108270103001355","","","0.71073","MoKα","","0.061","0.033","","","0.043","0.047","","","","","","0.842","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013180","18.6705","0.0008","5.9427","0.0002","13.3961","0.0004","90","","104.637","0.004","90","","1438.1","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(DL-proline-κO)zinc(II)","","- C10 H18 Cl2 N2 O4 Zn -","- C10 H18 Cl2 N2 O4 Zn -","- C40 H72 Cl8 N8 O16 Zn4 -","4","0.5","LN1157","Lutz, Martin; Bakker, Ruud","Dichlorobis(<small>DL</small>-proline-κ<i>O</i>)zinc(II)","Acta Crystallographica Section C","2003","59","1","m18","m20","10.1107/S0108270102021832","","","0.71073","MoKα","","0.023","0.018","","","0.045","0.048","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013181","10.28","0.002","10.497","0.004","16.175","0.004","75.91","0.02","80.81","0.02","68","0.03","1565.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bromo methoxy osthol","8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C64 H76 Br4 O16 -","4","2","NA1573","Solomon, K. Anand; Rajan, S. S.; Geetha Gopalakrishnan; Kashinath, V.; Santhana Krishnan, V. P.","8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin","Acta Crystallographica Section C","2003","59","1","o40","o41","10.1107/S0108270102020838","","","1.5418","CuKα","","0.073","0.06","","","0.164","0.173","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013182","8.1442","0.0017","6.5456","0.0011","12.285","0.002","90","","90","","90","","654.9","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Amino-4-methoxy-6-methylpyrimidine","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","0.5","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.0931","0.0497","","","0.1149","0.1357","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013183","5.8932","0.0002","18.2849","0.0007","15.1175","0.0007","90","","98.704","0.002","90","","1610.25","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-4-benzyloxy-6-methylpyrimidine","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.0929","0.0503","","","0.1084","0.125","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013184","5.6056","0.0002","18.2446","0.0005","20.648","0.0008","90","","100.965","0.001","90","","2073.16","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylamino-2,6-bis(benzyloxy)pyrimidine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","NA1584","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: π-stacked chains of fused <i>R</i>~2~^2^(8) rings, and centrosymmetric <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2003","59","1","o9","o13","10.1107/S0108270102020206","","","0.71073","MoKα","","0.1109","0.0538","","","0.1113","0.1312","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013185","9.713","0.006","19.265","0.008","10.45","0.002","90","","105.74","0.03","90","","1882.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","NA1587","Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[<i>b</i>][1,6]naphthyridine","Acta Crystallographica Section C","2003","59","3","o153","o155","10.1107/S0108270102022758","","","1.5418","CuKα","","0.069","0.057","","","0.16","0.172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013186","7.096","0.004","8.55","0.003","28.101","0.005","90","","90.87","0.03","90","","1704.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","stilbene","4'-methoxy-α,2,3'4-tetranitrostilbene","","- C15 H10 N4 O9 -","- C15 H10 N4 O9 -","- C60 H40 N16 O36 -","4","1","NA1588","SethuSankar, K.; Saravanan, S.; Velmurugan, D.; Parvez, Masood","A <i>cis</i>-stilbene derivative","Acta Crystallographica Section C","2003","59","3","o156","o158","10.1107/S0108270103000878","","","1.54178","CuKα","","0.0553","0.0509","","","0.1475","0.1531","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013187","11.878","0.005","13.329","0.005","16.677","0.005","90","","104.085","0.005","90","","2561","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gold sulfadiazine","[4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine- κP)gold(I)","","- C28 H24 Au N4 O2 P S -","- C28 H24 Au N4 O2 P S -","- C112 H96 Au4 N16 O8 P4 S4 -","4","1","NA1589","Schulz Lang, Ernesto; Burrow, Robert Alan; Marques, Lenice de Lourenço","[4-Amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido-κ<i>N</i>](triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section C","2003","59","3","m95","m96","10.1107/S0108270103001914","","","0.71069","MoKα","","0.027","0.019","","","0.043","0.045","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013188","10.638","0.002","17.857","0.004","6.958","0.001","90","","91.42","0.03","90","","1321.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","NA1590","Bruno, Giuseppe; Nicoló, Francesco; Gitto, Rosaria; Micale, Nicola; Rosace, Giuseppe","5-Phenyl-9<i>H</i>-1,3-dioxolo[4,5-<i>h</i>][2,3]benzodiazepin-8(7<i>H</i>)-one","Acta Crystallographica Section C","2003","59","3","o117","o119","10.1107/S010827010300088X","","","0.71073","MoKα","","0.071","0.056","","","0.142","0.151","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013189","7.5764","0.001","8.7614","0.0011","10.8154","0.0014","92.965","0.003","97.881","0.002","108.709","0.003","670.05","0.15","298","1","293","2","","","","","","","","6","P -1","-P 1","2","","Dibromo(pyridoxal semicarbazone-κ^3^N^1^,O^3^,O^3'^)copper(II)","","- C9 H12 Br2 Cu N4 O3 -","- C9 H12 Br2 Cu N4 O3 -","- C18 H24 Br4 Cu2 N8 O6 -","2","1","NA1591","Poleti, Dejan; Karanović, Ljiljana; Leovac, Vukadin M.; Jevtović, Violeta S.","Dibromo(pyridoxal semicarbazone-κ^3^<i>N</i>^1^,<i>O</i>^3^,<i>O</i>^3'^)copper(II)","Acta Crystallographica Section C","2003","59","3","m73","m75","10.1107/S0108270103001215","","","0.71073","MoKα","","0.061","0.033","","","0.058","0.063","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013190","10.2647","0.0011","24.976","0.003","9.7963","0.0011","90","","104.76","0.002","90","","2428.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]- 5-methoxyphenyl}acetamide","","- C24 H20 Br2 N2 O4 S -","- C24 H20 Br2 N2 O4 S -","- C96 H80 Br8 N8 O16 S4 -","4","1","NA1592","Ravishankar, T.; Chinnakali, K.; Arumugam, N.; Srinivasan, P. C.; Usman, Anwar; Fun, Hoong-Kun","<i>N</i>-{4-Bromo-2-[(3-bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-5-methoxyphenyl}acetamide","Acta Crystallographica Section C","2003","59","3","o137","o140","10.1107/S0108270103001410","","","0.71073","MoKα","","0.088","0.041","","","0.081","0.097","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013191","14.801","0.003","8.306","0.002","14.441","0.002","90","","114.15","0.01","90","","1620","0.6","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy- 3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","OB1086","Liu, Qingjian; Li, Yizhi; Shi, Daqing; Xu, Jianhua","4,5,9,10-Tetrahydro-4-methyl-2-phenyl-9,10-epoxy-3<i>H</i>,10a<i>H</i>-cyclobuta[<i>a</i>]benzo[2,3,4-<i>de</i>]isoquinoline-3,5-dione","Acta Crystallographica Section C","2003","59","1","o36","o37","10.1107/S0108270102021650","","","0.71073","MoKα","","0.068","0.041","","","0.1","0.11","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013192","16.663","0.002","10.6209","0.0005","17.652","0.002","90","","113.725","0.004","90","","2860","0.5","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cl2 N2 Pt -","- C28 H44 Cl2 N2 Pt -","- C112 H176 Cl8 N8 Pt4 -","4","1","OB1092","Kato, Masako; Ikemori, Mana","Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","2003","59","1","m25","m26","10.1107/S010827010202156X","","","0.7107","MoKα","","","0.04","","","","0.084","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013193","9.1026","0.0007","12.1235","0.0009","18.019","0.001","90","","101.219","0.003","90","","1950.5","0.2","153.2","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8a-Azoniahexahelicene hexafluorophosphate","","- C25 H16 F6 N P -","- C25 H16 F6 N P -","- C100 H64 F24 N4 P4 -","4","1","OB1095","Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki","An azonia derivative of hexahelicene","Acta Crystallographica Section C","2003","59","3","o162","o164","10.1107/S0108270102023739","","","0.7107","MoKα","","","0.0379","","","","0.1256","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013194","10.1453","0.0003","10.1467","0.0004","10.3571","0.0003","90","","92.632","0.003","90","","1065.05","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexaaquanickel(II) bys(hypophosphite)","","","- H16 Ni O10 P2 -","- H16 Ni O10 P2 -","- H64 Ni4 O40 P8 -","4","0.5","SK1594","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.; Podberezskaya, Nina V.","Hexaaquanickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2003","59","1","i1","i3","10.1107/S0108270102018541","","","0.71073","MoKα","","0.0301","0.0283","","","0.0794","0.0809","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013195","9.4143","0.0004","13.0869","0.0004","7.5774","0.0002","90","","96.426","0.0013","90","","927.7","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 1 polymorph","","- C8 H11 Cl N4 O -","- C8 H11 Cl N4 O -","- C32 H44 Cl4 N16 O4 -","4","1","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0497","0.0361","","","0.0853","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013196","13.9215","0.0003","8.1803","0.0002","19.639","0.0004","90","","121.613","0.0012","90","","1904.65","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 2 polymorph","","- C8 H11 Cl N4 O -","- C8 H11 Cl N4 O -","- C64 H88 Cl8 N32 O8 -","8","2","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0479","0.0369","","","0.0909","0.0967","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013197","13.8139","0.0002","8.4804","0.0001","19.8379","0.0003","90","","120.677","0.0009","90","","1998.74","0.05","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-piperidinopyrimidine","","- C9 H13 Cl N4 -","- C9 H13 Cl N4 -","- C72 H104 Cl8 N32 -","8","2","SK1595","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Two polymorphs, with <i>Z</i>' = 1 and 2, of 2-amino-4-chloro-6-morpholinopyrimidine in <i>P</i>2~1~/<i>c</i>, and 2-amino-4-chloro-6-piperidinopyrimidine, which is isomorphous and almost isostructural with the <i>Z</i>' = 2 polymorph","Acta Crystallographica Section C","2003","59","1","o4","o8","10.1107/S0108270102020012","","","0.71073","MoKα","","0.0449","0.0332","","","0.0814","0.0865","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013198","5.3406","0.0005","7.7727","0.0007","12.3901","0.0015","72.702","0.003","79.389","0.003","89.914","0.005","481.89","0.09","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","Benzanilide","N-phenylbenzamide (triclinic polymorph)","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","SK1598","Bowes, Katharine F.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A triclinic polymorph of benzanilide: disordered molecules form hydrogen-bonded chains","Acta Crystallographica Section C","2003","59","1","o1","o3","10.1107/S0108270102019996","","","0.71073","MoKα","","0.149","0.061","","","0.13","0.16","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013199","7.3443","0.0002","7.8437","0.0002","14.9129","0.0004","90","","109.947","0.0013","90","","807.54","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethoxy-5-nitropyrimidine","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","SK1599","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o14","o18","10.1107/S0108270102020322","","","0.71073","MoKα","","0.048","0.04","","","0.104","0.11","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013200","6.8427","0.0002","9.9742","0.0005","13.2752","0.0005","79.007","0.002","75.577","0.003","72.547","0.002","830.46","0.06","120","1","120","2","","","","","","","","4","P -1","-P 1","2","","4-amino-2,6-dimethoxy-5-nitropyrimidine","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","2","SK1599","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: hydrogen-bonded sheets in 2-amino-4,6-dimethoxy-5-nitropyrimidine and π-stacked hydrogen-bonded sheets in 4-amino-2,6-dimethoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o14","o18","10.1107/S0108270102020322","","","0.71073","MoKα","","0.08","0.05","","","0.12","0.135","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013201","20.5825","0.0013","8.8102","0.0004","13.0289","0.0011","90","","109.81","0.003","90","","2222.8","0.3","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine","","- C9 H15 N5 O3 -","- C9 H15 N5 O3 -","- C72 H120 N40 O24 -","8","1","SK1600","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine","Acta Crystallographica Section C","2003","59","1","o19","o21","10.1107/S0108270102020991","","","0.71073","MoKα","","0.17","0.063","","","0.127","0.163","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013202","6.9388","0.0002","9.8852","0.0002","14.1962","0.0004","69.965","0.002","77.518","0.002","72.361","0.002","864.91","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato- κ^3^O^4^,N^5^:O^5^]bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)- dionato-κ^2^N^1^,O^2^]strontium(II)}","","- C20 H32 N16 O18 Sr2 -","- C20 H32 N16 O18 Sr2 -","- C20 H32 N16 O18 Sr2 -","1","0.5","SK1602","Low, John N.; Arranz, Paloma; Cuesta, Rafael; Gutiérrez, M. Dolores; Glidewell, Christopher","Bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^3^<i>O</i>^4^,<i>N</i>^5^:<i>O</i>^5^]-di-μ-aqua-bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^2^<i>N</i>^1^,<i>O</i>^2^]strontium(II)}: centrosymmetric dimers containing nine-coordinate Sr, linked by multiple hydrogen bonds into a three-dimensional framework","Acta Crystallographica Section C","2003","59","1","m21","m24","10.1107/S0108270102021492","","","0.71073","MoKα","","0.033","0.028","","","0.066","0.068","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013203","25.247","0.002","4.0827","0.001","8.764","0.002","90","","90","","90","","903.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Strontium hexabromodicadmate(II) octahydrate","","- Br6 Cd2 H16 O8 Sr -","- Br6 Cd2 H16 O8 Sr -","- Br12 Cd4 H32 O16 Sr2 -","2","0.5","SK1605","Yahyaoui, Samia; Ben Hassen, Rached; Petříček, Vaclav; Dušek, Michal; Ben Salah, Abdelhamid","Strontium hexabromodicadmate(II) octahydrate","Acta Crystallographica Section C","2003","59","3","i24","i26","10.1107/S0108270103002221","","","0.71069","MoKα","","0.065","0.029","","","0.063","0.07","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013204","9.5997","0.0001","10.4336","0.0001","10.6348","0.0002","72.0422","0.0006","85.3458","0.0005","80.8752","0.0006","999.87","0.02","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","(E)-2-(2-adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride","","- C26 H26 Fe O3 -","- C26 H26 Fe O3 -","- C52 H52 Fe2 O6 -","2","1","SK1606","Al-Shihry, Shar S.; Linden, Anthony","(<i>E</i>)-2-(2-Adamantylidene)-3-(1-ferrocenylethylidene)succinic anhydride","Acta Crystallographica Section C","2003","59","2","m40","m42","10.1107/S0108270102022722","","","0.71073","MoKα","","0.039","0.031","","","0.078","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013205","9.1467","0.0018","16.102","0.003","24.318","0.005","90","","90","","90","","3581.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(1-Naphthylacetyl)glycine phenacyl ester","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0425","0.04","","","0.0831","0.0845","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013206","8.927","0.002","11.413","0.002","17.875","0.004","90","","102.5","0.03","90","","1778","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Phenacyl (1-naphthylacetoxy)acetate","","","- C22 H18 O5 -","- C22 H18 O5 -","- C88 H72 O20 -","4","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0375","0.0345","","","0.0821","0.0842","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013207","28.0787","0.0006","11.8671","0.0002","14.1533","0.0002","90","","100.739","0.001","90","","4633.46","0.14","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","","- C16 H43 N2 O8 P S -","- C16 H43 N2 O8 P S -","- C128 H344 N16 O64 P8 S8 -","8","1","SK1608","Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel","Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K","Acta Crystallographica Section C","2003","59","3","o120","o123","10.1107/S0108270103001471","","","0.71073","MoKα","","0.05","0.042","","","0.116","0.123","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013208","27.946","0.0004","11.748","0.0002","14.059","0.0002","90","","100.971","0.009","90","","4531.35","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate","","- C16 H43 N2 O8 P S -","- C16 H43 N2 O8 P S -","- C128 H344 N16 O64 P8 S8 -","8","1","SK1608","Fábry, Jan; Krupková, Radmila; Císařová, Ivana; Jurek, Karel","Bis(tetraethylammonium) hydrogensulfate dihydrogenphosphate at 292 and 150K","Acta Crystallographica Section C","2003","59","3","o120","o123","10.1107/S0108270103001471","","","0.71073","MoKα","","0.048","0.041","","","0.109","0.113","","","","","","1.174","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013209","24.0858","0.0011","5.0699","0.0002","10.508","0.0004","90","","90","","90","","1283.16","0.09","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Iodobenzaldehyde-4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1609","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o98","o101","10.1107/S0108270103001379","","","0.71073","MoKα","","0.0654","0.0356","","","0.0714","0.0804","","","","","","1.021","","","","has coordinates,has Fobs","291473","2024-05-03","10:34:51",""
"2013210","7.889","0.0005","8.1405","0.0006","12.176","0.001","83.876","0.004","83.679","0.004","63.151","0.003","691.98","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C26 H18 I2 N8 O8 -","2","1","SK1609","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo‒nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o98","o101","10.1107/S0108270103001379","","","0.71073","MoKα","","0.0747","0.047","","","0.1111","0.132","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013211","7.4171","0.0002","22.1145","0.0008","15.7093","0.0004","90","","90","","90","","2576.73","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 I N2 O2 S -","- C12 H9 I N2 O2 S -","- C96 H72 I8 N16 O16 S8 -","8","1","SK1610","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o95","o97","10.1107/S0108270103000775","","","0.71073","MoKα","","0.0841","0.0403","","","0.0715","0.0818","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013212","14.0307","0.0003","6.1277","0.0001","21.5135","0.0005","90","","91.485","0.001","90","","1849.02","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate","","- C14 H26 N6 O7 S -","- C14 H26 N6 O7 S -","- C56 H104 N24 O28 S4 -","4","1","SK1612","Quesada, Antonio; Marchal, Antonio; Low, John N.; Glidewell, Christopher","2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate: hydrogen-bonded sheets containing highly distorted cations","Acta Crystallographica Section C","2003","59","3","o102","o104","10.1107/S0108270103001458","","","0.71073","MoKα","","0.0561","0.045","","","0.1158","0.1229","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013213","13.711","0.0007","7.3037","0.0003","9.3537","0.0004","90","","93.088","0.002","90","","935.33","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Nitrophenylsulfinyl)acetic acid","","- C8 H7 N O5 S -","- C8 H7 N O5 S -","- C32 H28 N4 O20 S4 -","4","1","SK1614","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O—H···O and C—H···O hydrogen bonds and a three-centre C—H···(O)~2~ hydrogen bond","Acta Crystallographica Section C","2003","59","3","o124","o126","10.1107/S0108270103001860","","","0.71073","MoKα","","0.0702","0.0434","","","0.1008","0.1104","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013214","9.491","0.004","13.541","0.005","14.051","0.006","90","","90","","90","","1805.8","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 4aβ-methyl-6-methoxy-9-oxo-1,2,3,4,4a,9,10,10aβ- octahydrophenanthrene-1,1-dicarboxylate","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","SK1615","Swastik Mondal; Monika Mukherjee; Arnab Roy; Debabrata Mukherjee","Dimethyl 6-methoxy-4aβ-methyl-9-oxo-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-1,1-dicarboxylate","Acta Crystallographica Section C","2003","59","3","o132","o134","10.1107/S0108270103002452","","","0.71073","MoKα","","0.0369","0.0345","","","0.0932","0.0955","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013215","9.4972","0.0002","6.9014","0.0002","12.3077","0.0003","90","","92.0599","0.0011","90","","806.17","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitrophthalic acid","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C32 H20 N4 O24 -","4","1","SK1616","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Nitrophthalic acid: <i>C</i>(4) and <i>R</i>~2~^2^(8) motifs of O—H···O hydrogen bonds generate sheets which are linked by C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o144","o146","10.1107/S0108270103002555","","","0.71073","MoKα","","0.0381","0.0338","","","0.0837","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013216","10.9563","0.0004","10.9584","0.0005","17.1665","0.0008","90","","101.446","0.002","90","","2020.08","0.15","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Meso-5,5,7,12,12,14-hexamethyl-1,4-diaza-8,11-diazoniumcyclotetradecane bis(2-naphthoate) ethanol disolvate","","- C42 H64 N4 O6 -","- C42 H64 N4 O6 -","- C84 H128 N8 O12 -","2","0.5","SK1618","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4-diaza-8,11-diazoniacyclotetradecane bis(2-naphthoate) ethanol disolvate: centrosymmetric five-component aggregates linked into sheets by C—H···π(arene) hydrogen bonding","Acta Crystallographica Section C","2003","59","3","o147","o149","10.1107/S0108270103002804","","","0.71073","MoKα","","0.082","0.048","","","0.112","0.13","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013217","9.2522","0.0006","6.4359","0.0003","14.008","0.0011","90","","105.175","0.009","90","","805.04","0.1","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-Dipropoxybenzidine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","0.5","SQ1002","El-Shafei, Ahmed; Boyle, Paul D.; Hinks, David; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. I. 3,3'-Dipropoxybenzidine","Acta Crystallographica Section C","2003","59","2","o71","o73","10.1107/S0108270102021303","","","0.71073","MoKα","","0.04","0.039","","0.051","","0.051","","","","","","2.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013218","11.7152","0.0004","19.627","0.0006","12.131","0.0004","90","","117.978","0.001","90","","2463.34","0.14","298","1","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","estradiol","estra-1,3,5(10)-triene-3,17β-diol-methanol-water (3/2/1)","","- C18.67 H27.33 O3 -","- C18.6667 H27.3333 O3 -","- C112 H164 O18 -","6","3","SQ1003","Parrish, Damon A.; Pinkerton, A. Alan","A new estra-1,3,5(10)-triene-3,17β-diol solvate: estradiol‒methanol‒water (3/2/1)","Acta Crystallographica Section C","2003","59","2","o80","o82","10.1107/S0108270102021637","","","0.56085","AgKα","","0.085","0.058","","","0.134","0.145","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013219","22.782","0.008","8.11","0.005","9.995","0.005","90","","91.19","0.02","90","","1846.3","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-n-tetradecylamine oxide","","- C16 H39 N O3 -","- C16 H39 N O3 -","- C64 H156 N4 O12 -","4","1","SQ1004","Sauer, Joe D.; Elnagar, Hassan Y.; Fronczek, Frank R.","The solid dihydrate of <i>N,N</i>-dimethyl-<i>n</i>-tetradecylamine oxide","Acta Crystallographica Section C","2003","59","2","o62","o64","10.1107/S0108270102022862","","","0.71073","MoKα","","0.18","0.086","","","0.16","0.195","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013220","10.7036","0.0002","11.6479","0.0002","17.4618","0.0003","70.848","0.001","78.069","0.001","84.194","0.001","2010.81","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ansa-[isodicyclopentadienyl(dimethylsilane)(3,5-dimethylphenylamido)]~2~ zirconium","bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien- 2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate","","- C44 H60 N2 O Si2 Zr -","- C44 H60 N2 O Si2 Zr -","- C88 H120 N4 O2 Si4 Zr2 -","2","1","SQ1005","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","A doubly bridged isodicyclopentadienyl zirconium complex: bis{<i>N</i>-(3,5-dimethylphenyl)-<i>N</i>-[(η^5^-isodicyclopentadien-2-yl)dimethylsilyl]amido-κ<i>N</i>}zirconium(II) diethyl ether solvate","Acta Crystallographica Section C","2003","59","2","m67","m69","10.1107/S0108270103000751","","","0.71073","MoKα","","0.063","0.038","","0.086","","0.077","","","1.028","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013221","14.215","0.004","7.458","0.002","9.493","0.003","90","","90","","90","","1006.4","0.5","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide","","- C24 H16 Cu I N4 -","- C24 H16 Cu I N4 -","- C48 H32 Cu2 I2 N8 -","2","0.25","TA1392","Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan","Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide","Acta Crystallographica Section C","2003","59","1","m7","m9","10.1107/S0108270102020590","","","0.71073","MoKα","","0.06","0.046","","","0.113","0.119","","","","","","1.241","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013222","16.2547","0.0007","29.4171","0.0013","18.1262","0.0008","90","","90","","90","","8667.3","0.7","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide","","- C24 H16 Cu I N4 -","- C24 H16 Cu I N4 -","- C384 H256 Cu16 I16 N64 -","16","1","TA1392","Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan","Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide","Acta Crystallographica Section C","2003","59","1","m7","m9","10.1107/S0108270102020590","","","0.71073","MoKα","","0.078","0.035","","","0.088","0.107","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013223","7.0359","0.0015","7.173","0.0015","10.084","0.002","81.697","0.004","82.041","0.004","63.642","0.004","449.65","0.16","298","2","294","2","","","","","","","","4","P -1","-P 1","2","Uranyl nitrate trihydrate","Uranyl dinitrate trihydrate","","- H6 N2 O11 U -","- H6 N2 O11 U -","- H12 N4 O22 U2 -","2","1","TA1396","Hughes, Karrie-Ann; Burns, Peter C.","Uranyl dinitrate trihydrate, UO~2~(NO~3~)~2~(H~2~O)~3~","Acta Crystallographica Section C","2003","59","1","i7","i8","10.1107/S0108270102021108","","","0.71073","MoKα","","0.093","0.043","","","0.095","0.109","","","","","","1.008","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2013224","7.549","0.001","7.549","0.001","8.097","0.001","90","","90","","120","","399.61","0.09","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Lithium aluminium silicide (15/3/6)","","- Al3.39 Li14.61 Si6 -","- Al3.386 Li14.614 Si6 -","- Al3.386 Li14.614 Si6 -","1","0.0833333","TA1397","Spina, Laurent; Tillard, Monique; Belin, Claude","Li~15~Al~3~Si~6~ (Li~14.6~Al~3.4~Si~6~), a compound displaying a heterographite-like anionic framework","Acta Crystallographica Section C","2003","59","2","i9","i10","10.1107/S0108270102022680","","","0.71073","MoKα","","0.064","0.036","","","0.035","0.049","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013225","10.4353","0.0005","10.4491","0.0005","14.876","0.0007","92.412","0.001","101.471","0.001","109.599","0.001","1487.14","0.12","213","2","213","2","","","","","","","","3","P 1","P 1","1","","3β-o-(L-thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide methanol solvate monohydrate","","- C61 H98 O18 -","- C61 H98 O18 -","- C61 H98 O18 -","1","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-<i>O</i>-(<small>L</small>-2'-<i>o</i>-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0874","0.0657","","","0.1683","0.1823","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013226","7.3351","0.0003","21.477","0.0009","9.9056","0.0004","90","","97.007","0.001","90","","1548.83","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-o-(L-2'-o-acetyl thevetoyl)-14β-hydroxy-5β-card-20(22)-enolide","","- C32 H48 O9 -","- C32 H48 O9 -","- C64 H96 O18 -","2","1","TA1401","Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Surat Laphookhieo; Chatchanok Karalai; Yanisa Rat-a-pa; Kan Chantrapromma","Bis[14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide] methanol solvate monohydrate and 3β-<i>O</i>-(<small>L</small>-2'-<i>o</i>-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide","Acta Crystallographica Section C","2003","59","2","o68","o70","10.1107/S0108270102023065","","","0.71073","MoKα","","0.0595","0.0454","","","0.1026","0.1062","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013227","6.04","0.003","13.303","0.005","17.699","0.007","90","","94.096","0.008","90","","1418.5","1","130","2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-4-piperidyl 2,4-dinitrobenzoate","","- C13 H15 N3 O6 -","- C13 H15 N3 O6 -","- C52 H60 N12 O24 -","4","1","TA1405","Andrau, Laura; White, Jonathan","Conformation of <i>N</i>-methyl-4-piperidyl 2,4-dinitrobenzoate","Acta Crystallographica Section C","2003","59","2","o60","o61","10.1107/S0108270102022254","","","0.71073","MoKα","","0.074","0.051","","","0.109","0.118","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013228","15.806","0.002","16.6172","0.0018","20.644","0.002","90","","95.872","0.01","90","","5393.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(dibenzoylcarbenyl-κC)(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II)","","- C68 H51 N5 O2 Ru -","- C68 H51 N5 O2 Ru -","- C272 H204 N20 O8 Ru4 -","4","0.5","TR1046","Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes","Acta Crystallographica Section C","2003","59","2","m37","m39","10.1107/S0108270102022461","","","0.71069","MoKα","","0.19","0.061","","","0.14","0.182","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013229","12.4428","0.0017","17.3768","0.0019","25.1794","0.0017","90","","99.436","0.009","90","","5370.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato-κ^4^N)[bis(3- trifluoromethylphenyl)carbenyl-κC]ruthenium(II)","","- C68 H49 F6 N5 Ru -","- C68 H49 F6 N5 Ru -","- C272 H196 F24 N20 Ru4 -","4","1","TR1046","Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes","Acta Crystallographica Section C","2003","59","2","m37","m39","10.1107/S0108270102022461","","","0.71069","MoKα","","0.071","0.038","","","0.096","0.108","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013230","7.837","0.002","9.135","0.002","15.649","0.003","89.65","0.02","76.04","0.02","66.99","0.02","995.8","0.4","122","2","122","2","","","","","","","","6","P -1","-P 1","2","I","(1-thia-4,7-diazacyclodecyl-κ^3^N^4^,N^7^,C^10^)(1,4,7-triazacyclononane- κ^3^N^1^,N^4^,N^7^)cobalt(III) dithionate hydrate","","- C13 H32 Co N5 O7 S3 -","- C13 H32 Co N5 O7 S3 -","- C26 H64 Co2 N10 O14 S6 -","2","1","TR1048","Harris, Pernille; Kofod, Pauli; Song, Yong Sheng; Larsen, Erik","The Co^III^—C bond in (1-thia-4,7-diazacyclodecyl-κ^3^<i>N</i>^4^,<i>N</i>^7^,<i>C</i>^10^)(1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^)cobalt(III) dithionate hydrate","Acta Crystallographica Section C","2003","59","2","m58","m60","10.1107/S0108270102022825","","","0.71073","MoKα","","0.045","0.033","","","0.07","0.076","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013231","6.8638","0.0016","15.861","0.004","17.014","0.007","90","","90","","90","","1852.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate","","- C13 H30 O13 -","- C13 H30 O13 -","- C52 H120 O52 -","4","1","TR1049","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside trihydrate","Acta Crystallographica Section C","2003","59","3","o171","o173","10.1107/S0108270103002865","","","0.872","synchrotron","","0.0475","0.0356","","","0.0847","0.0867","","","","","","1.561","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013232","15.2979","0.0002","13.002","0.0002","17.7821","0.0002","90","","90.0302","0.0007","90","","3536.92","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua[μ-(N^1^-carboxatomethylguanidino)oxidoacetato](μ-guanidinoacetic acid)dicopper(II) nitrate dihydrate","","- C8 H19 Cu2 N7 O13 -","- C8 H19 Cu2 N7 O13 -","- C64 H152 Cu16 N56 O104 -","8","2","TR1052","Felcman, Judith; Howie, R. Alan; Lopes de Miranda, Jussara; Skakle, Janet M.S.; Wardell, James L.","The nitrate dihydrate of an aquadicopper(II) complex cation with guanidinoacetic acid and a novel trianionic disubstituted guanidine as ligands at 120K","Acta Crystallographica Section C","2003","59","3","m103","m106","10.1107/S0108270103003329","","","0.71073","MoKα","","0.0404","0.0345","","","0.0813","0.0836","","","","","","1.142","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013233","11.057","0.002","11.0584","0.0018","11.339","0.003","78.42","0.018","64.689","0.016","65.696","0.016","1141.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate","","- C12 H44 Cl6 Gd2 N4 O40 -","- C12 Cl6 Gd2 N4 O40 -","- C12 Cl6 Gd2 N4 O40 -","1","0.5","VJ1183","Jinping Wang; Ninghai Hu; Kuiyue Yang; Haiyuan Zhang; Chunji Niu","Tetra-μ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate","Acta Crystallographica Section C","2003","59","2","m52","m54","10.1107/S0108270102022734","","","0.71073","MoKα","","0.0492","0.0437","","","0.1167","0.1191","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013234","5.862","0.001","12.941","0.004","10.538","0.004","90","","105.12","0.03","90","","771.7","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C24 H24 Cl8 Cu2 N4 -","2","0.5","AV1127","Richeng Xuan; Weixiao Hu; Zhongyu Yang; Rirong Xuan","Dichlorobis(2-chloro-5-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2003","59","4","m112","m114","10.1107/S0108270103002956","","","0.71073","MoKα","","","0.0369","","","","0.1164","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013235","14.2021","0.0012","7.2102","0.0016","15.368","0.003","90","","103.945","0.009","90","","1527.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(di-μ-bromo(pyridine-3-carboxylato-O,O',N))mercury(II)","catena-(di-μ-bromo(pyridine-3-carboxylato-O,O',N))mercury(II)","","- C6 H4 Br Hg N O2 -","- C6 H4 Br Hg N O2 -","- C48 H32 Br8 Hg8 N8 O16 -","8","1","AV1131","Popović, Zora; Pavlović, Gordana; Matković -Čalogović , Dubravka; Soldin, Željka","Polymeric μ-bromo-μ-pyridine-3-carboxylato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>-mercury(II)","Acta Crystallographica Section C","2003","59","5","m165","m167","10.1107/S0108270103005705","","","0.71073","MoKα","","0.0694","0.0324","","","0.0742","0.0837","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013236","8.4753","0.0008","9.5364","0.0008","10.121","0.0011","76.128","0.008","72.381","0.009","69.917","0.008","723.76","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Dipotassium Bis[(μ-isothiocyanato-N,S) (N-salicylidene-DL-valinato-O,N,O')cuprate(II)]","","- C13 H13 Cu K N2 O3 S -","- C13 H13 Cu K N2 O3 S -","- C26 H26 Cu2 K2 N4 O6 S2 -","2","1","AV1132","Vančo, Ján; Švajlenová, Oľga; Marek, Jaromír","Dipotassium di-μ-isothiocyanato-κ^4^<i>N</i>:<i>S</i>-bis[(<i>N</i>-salicylidene-<small>DL</small>-valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cuprate(II)]","Acta Crystallographica Section C","2003","59","5","m190","m192","10.1107/S0108270103006760","","","0.71073","MoKα","","0.0344","0.0304","","","0.0814","0.1118","","","","","","0.978","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2013237","6.732","0.001","11.5","0.002","14.64","0.003","90","","90","","90","","1133.4","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H20 Cl4 Cu2 N16 -","- C12 H20 Cl4 Cu2 N16 -","- C24 H40 Cl8 Cu4 N32 -","2","0.25","AV1134","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Pytleva, Dariya S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.","<i>catena</i>-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[chlorocopper(II)]]-di-μ-chloro]","Acta Crystallographica Section C","2003","59","6","m221","m223","10.1107/S0108270103008977","","","0.71073","MoKα","","0.0327","0.0312","","","0.1016","0.103","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013238","15.4724","0.0015","7.7881","0.0008","6.4942","0.0006","90","","90","","90","","782.55","0.13","250","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co H5 K O9 P2 -","- Co H5 K O9 P2 -","- Co4 H20 K4 O36 P8 -","4","0.5","AV1135","Harcharras, Mohamed; Goubitz, Kees; Ennaciri, Abdelaziz; Assaaoudi, Hassane; Schenk, Henk","KHCoP~2~O~7~·2H~2~O: a novel acidic pyrophosphate","Acta Crystallographica Section C","2003","59","6","i57","i58","10.1107/S0108270103010084","","","0.71073","MoKα","","0.034","0.034","","0.039","","0.039","","","1.378","","","1.374","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013239","7.117","0.005","7.117","0.005","10.542","0.009","90","","90","","120","","462.4","0.6","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","FDZG-2","diammonium zirconium getmanate","","- Ge3 N2 O9 Zr -","- Ge3 N2 O9 Zr -","- Ge6 N4 O18 Zr2 -","2","0.166667","BC1005","Zhicheng Liu; Linhong Weng; Zhenxia Chen; Dongyuan Zhao","(NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate","Acta Crystallographica Section C","2003","59","5","i29","i31","10.1107/S0108270103005353","","","0.71073","MoKα","","0.0763","0.0524","","","0.1025","0.1098","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013240","9.2527","0.0006","9.2527","0.0006","25.41","0.002","90","","90","","120","","1884","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Potassium yttrium hexaniobium octadecachloride","","- Cl18 K Nb6 Y -","- Cl18 K Nb6 Y -","- Cl54 K3 Nb18 Y3 -","3","0.166667","BC1007","Duraisamy, Thirumalai; Lachgar, Abdessadek","Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~","Acta Crystallographica Section C","2003","59","4","i27","i28","10.1107/S0108270103003731","","","0.71073","MoKα","","0.0538","0.0323","","","0.0458","0.0499","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013241","8.9829","0.0006","10.7777","0.0005","11.9761","0.0009","104.979","0.004","99.028","0.002","99.963","0.003","1078.12","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","copper tetrasodium decavanadate icositrihydrate","","","- Cu H46 Na4 O51 V10 -","- Cu H42 Na4 O51 V10 -","- Cu H42 Na4 O51 V10 -","1","0.5","BC1014","Iida, Akifumi; Ozeki, Tomoji","Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O","Acta Crystallographica Section C","2003","59","6","i41","i44","10.1107/S0108270103008552","","","0.71073","MoKα","","0.0305","0.0279","","","0.0666","0.0678","","","","","","1.244","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013242","8.8567","0.0005","10.7189","0.0006","11.5492","0.0007","104.662","0.002","95.579","0.003","102.064","0.003","1024.14","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","tricopper decavanadate icositetrahydrate","","","- Cu3 H48 O52 V10 -","- Cu3 H48 O52 V10 -","- Cu3 H48 O52 V10 -","1","0.5","BC1014","Iida, Akifumi; Ozeki, Tomoji","Cu~3~V~10~O~28~·24H~2~O and CuNa~4~V~10~O~28~·23H~2~O","Acta Crystallographica Section C","2003","59","6","i41","i44","10.1107/S0108270103008552","","","0.71073","MoKα","","0.0248","0.022","","","0.0649","0.077","","","","","","1.342","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013243","10.4467","0.0009","15.4969","0.0013","7.6471","0.0006","90","","90","","90","","1238","0.18","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","zinc tellurium oxochloride","dizinc tellurium dichloride trioxide","","- Cl2 O3 Te Zn2 -","- Cl2 O3 Te Zn2 -","- Cl16 O24 Te8 Zn16 -","8","1","BC1017","Johnsson, Mats; Törnroos, Karl W.","A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~","Acta Crystallographica Section C","2003","59","6","i53","i54","10.1107/S0108270103009715","","","0.71073","MoKα","","0.0175","0.0158","","","0.0382","0.0386","","","","","","1.255","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013244","7.6844","0.001","14.424","0.0018","22.378","0.003","90","","90","","90","","2480.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","1","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0222","0.0189","","","0.0481","0.0485","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013245","11.8186","0.0019","15.489","0.003","15.653","0.003","102.122","0.005","100.393","0.005","110.001","0.005","2531.4","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","4","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0501","0.0346","","","0.0581","0.0595","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013246","5.5633","0.0016","10.4599","0.0011","20.314","0.004","90","","95.51","0.02","90","","1176.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","BM1525","Tunc̨, Tuncay; Yag̨basan, Rahmi; Tezcan, Habibe; Sarı, Musa; S̨ahin, Ertan","<i>N</i>-(4-Methoxybenzylidene)-<i>N</i>'-(2-pyridyl)hydrazine","Acta Crystallographica Section C","2003","59","4","o192","o193","10.1107/S0108270103004256","","","0.71073","MoKα","","","0.042","","","0.0977","0.128","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013247","14.3719","0.0003","22.865","0.0006","7.0703","0.0001","90","","90","","90","","2323.4","0.08","100","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","BM1526","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","(2<i>RS</i>)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol","Acta Crystallographica Section C","2003","59","6","o283","o285","10.1107/S010827010300708X","","","0.71073","MoKα","","","0.055","","","","0.141","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013248","10.3363","0.0001","37.2805","0.0004","10.8142","0.0001","90","","111.146","0.0007","90","","3886.56","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphine)(tetracyanoethene)palladium‒dichloromethane (1/0.7)","","- C42.7 H31.4 Cl1.4 N4 P2 Pd -","- C42.7 H31.4 Cl1.4 N4 P2 Pd -","- C170.8 H125.6 Cl5.6 N16 P8 Pd4 -","4","1","BM1527","Zoe Shackleton; Colin A. Kilner; Gavin D. Reid; Malcolm A. Halcrow","(η^2^-Tetracyanoethene)bis(triphenylphosphine-κ<i>P</i>)palladium‒dichloromethane (1/0.7)","Acta Crystallographica Section C","2003","59","4","m136","m138","10.1107/S010827010300458X","","","0.71073","MoKα","","0.0492","0.0387","","","0.104","0.11","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013249","16.042","0.002","9.4781","0.001","17.599","0.002","90","","111.49","0.01","90","","2489.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cone-25,26:27,28-bis(methylenedioxy)calix[4]arene dichloromethane solvate","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","0.5","BM1530","Dielemann, Cedric; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger","The host‒guest complex between cone-25,26:27,28-bis(methylenedioxy)calix[4]arene and dichloromethane","Acta Crystallographica Section C","2003","59","5","o247","o249","10.1107/S0108270103006681","","","0.71073","MoKα","","0.0401","0.0347","","","0.0896","0.0925","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013250","5.673","0.002","26.892","0.006","7.764","0.002","90","","100.433","0.01","90","","1164.9","0.6","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-carboxy-1-oxopropylferrocene","","- C14 H14 Fe O3 -","- C14 H14 Fe O3 -","- C56 H56 Fe4 O12 -","4","1","DE1207","Fronczek, Frank R.; Giraldés, José; McLaughlin, Mark L.","Disordered <i>syn</i>‒<i>anti</i> hydrogen-bonded chains in 3-(ferrocenylcarbonyl)propionic acid","Acta Crystallographica Section C","2003","59","5","m159","m161","10.1107/S0108270103006309","","","0.71073","MoKα","","0.062","0.037","","","0.064","0.073","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013251","12.973","0.007","9.708","0.006","46.04","0.03","90","","92.544","0.012","90","","5793","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate","","- C15 H25 Cl N6 O4 -","- C15 H25 Cl N6 O4 -","- C180 H300 Cl12 N72 O48 -","12","3","DE1210","Qi, Wen-Bin; Li, Yi-Zhi; Ni, Jun; Wang, Zhi-Lin","1,4,7-Tris(2-cyanoethyl)-4,7-triaza-1-azoniacyclononane perchlorate","Acta Crystallographica Section C","2003","59","6","o343","o345","10.1107/S010827010300948X","","","0.71073","MoKα","","0.0888","0.0405","","","0.0873","0.0908","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013252","9.565","0.0019","16.522","0.003","9.021","0.0018","90","","96.28","0.03","90","","1417.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(H4-tet b) bis(hexafluorogermanate)tetrahydrate","rac-5,7,7,12,12,14-hexamethyl- 1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate","","- C16 H48 F12 Ge2 N4 O4 -","- C16 H48 F12 Ge2 N4 O4 -","- C32 H96 F24 Ge4 N8 O8 -","2","0.5","DN1019","Fonari, Marina S.; Simonov, Yurii A.; Chumakov, Yurii M.; Bocelli, Gabriele; Ganin, Eduard V.; Gelmboldt, Vladimir O.","The monoclinic polymorph of <i>rac</i>-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate","Acta Crystallographica Section C","2003","59","5","m168","m170","10.1107/S0108270103005869","","","0.71073","MoKα","","0.0415","0.0276","","","0.0673","0.0717","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013253","11.9744","0.0006","15.7475","0.0004","16.733","0.0008","90","","91.249","0.002","90","","3154.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N2 O9 U -","- C32 H40 N2 O9 U -","- C128 H160 N8 O36 U4 -","4","1","DN1021","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","A bis(acetylacetonato)uranium(IV) complex of the Schiff base <i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)-2-methyl-1,2-propanediamine","Acta Crystallographica Section C","2003","59","6","m246","m248","10.1107/S0108270103008382","","","0.71073","MoKα","","0.0551","0.0393","","","0.0862","0.0923","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013254","13.0161","0.0013","13.229","0.0014","26.496","0.003","90","","90","","90","","4562.3","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H59 N3 O13 S -","- C45 H59 N3 O13 S -","- C180 H236 N12 O52 S4 -","4","1","FA1005","Sainz-Diaz, C. Ignacio; Manzanares, Ignacio; Francesch, Andres; Garcia-Ruiz, Juanma","The potent anticancer compound ecteinascidin-743 (ET-743) as its 2-propanol disolvate","Acta Crystallographica Section C","2003","59","4","o197","o198","10.1107/S0108270103003676","","","0.71073","MoKα","","","0.0775","","","","0.1317","","","","","","1.124","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013255","6.8711","0.0011","15.231","0.002","19.263","0.003","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","","- C17 H30 O8 -","- C17 H30 O8 -","- C68 H120 O32 -","4","1","FA1007","Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf","Methyl 3,6-di-<i>O</i>-pivaloyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2003","59","4","o184","o186","10.1107/S010827010300324X","","","0.71073","MoKα","","0.1087","0.0426","","","0.1003","0.1203","","","","","","0.93","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013256","5.404","0.0002","7.6062","0.0004","22.1898","0.0011","90","","94.208","0.003","90","","909.63","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","","- C18 H35 N O4 -","- C18 H35 N O4 -","- C36 H70 N2 O8 -","2","1","FA1009","Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Bolte, Michael; Kolter, Thomas","(4<i>S</i>,5<i>S</i>)-4-[(1<i>R</i>)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2003","59","5","o225","o227","10.1107/S0108270103005493","","","0.71073","MoKα","","0.0415","0.0336","","","0.0815","0.0841","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013257","5.129","0.0007","5.307","0.001","10.359","0.0014","99.902","0.014","101.139","0.014","101.495","0.013","264.53","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","aqua hydroxyl copper(II) oxo-vanadium(IV) vanadate","","- Cu H3 O7 V2 -","- Cu H3 O7 V2 -","- Cu2 H6 O14 V4 -","2","1","FA1011","Trombe, Jean-Christian; Rozier, Patrick; Galy, Jean","A new aquahydroxidocopper(II) oxovanadium(IV) vanadate, Cu(H~2~O)(OH)VO(VO~4~)","Acta Crystallographica Section C","2003","59","6","i50","i52","10.1107/S0108270103008047","","","0.71073","MoKα","","0.0361","0.0322","","","0.0865","0.0886","","","","","","1.122","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013258","8.6868","0.0007","22.0328","0.0013","7.592","0.003","90","","104.407","0.016","90","","1407.4","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","FA1012","Dey, Sankar Prasad; Dey, Dilip Kumar; Mallik, Asok Kumar; Dahlenburg, Lutz","6-(2-Hydroxybenzoyl)-5-(pyrrol-2-yl)-3<i>H</i>-pyrrolizine","Acta Crystallographica Section C","2003","59","6","o321","o322","10.1107/S0108270103008394","","","0.71073","MoKα","","","0.043","","","","0.1131","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013259","7.0453","0.0004","7.0453","0.0004","9.5608","0.0007","90","","90","","120","","410.98","0.04","297","2","","","","","","","","","Synthetic","3","P 32","P 32","145","orthoboric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","FA1014","Shuvalov, Robert R.; Burns, Peter C.","A new polytype of orthoboric acid, H~3~BO~3~-3<i>T</i>","Acta Crystallographica Section C","2003","59","6","i47","i49","10.1107/S0108270103009685","","","0.71073","MoKα","","","0.0438","","","","0.0884","","","","","","1","","","","has coordinates,has Fobs","282067","2023-03-26","07:49:21",""
"2013260","11.642","0.0005","11.8755","0.0005","12.7087","0.0006","102.261","0.01","103.03","0.01","95.789","0.01","1652.21","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{2-[1-acetyl-5-(2-hydroxyphenyl)-4-phenyl-1,2,4-diazaphospholan-3-yl]phenyl acetate-κP}chloro(cycloocta-1,5-diene-κ^4^C^1^,C^2^,C^5^,C^6^)rhodium(I) dichloromethane solvate","","- C33 H37 Cl3 N2 O4 P Rh -","- C33 H37 Cl3 N2 O4 P Rh -","- C66 H74 Cl6 N4 O8 P2 Rh2 -","2","1","FG1680","Clark, Robert W.; Guzei, Ilia A.; Jin, Wiechang C.; Landis, Clark R.","A 1,2,4-diazaphospholane complex of rhodium","Acta Crystallographica Section C","2003","59","4","m144","m145","10.1107/S0108270103002142","","","0.71073","MoKα","","0.037","0.034","","","0.086","0.088","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013261","11.7086","0.0013","11.7086","0.0013","6.4475","0.0008","90","","90","","120","","765.48","0.15","120","2","120","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","Catena-(sodium trisacetone solvate) polyiodide","","- C9 H18 I2 Na O3 -","- C9 H18 I2 Na O3 -","- C18 H36 I4 Na2 O6 -","2","0.0833333","FG1688","Howie, R. Alan; Wardell, James L.","Polymeric tris(μ~2~-acetone-κ^2^<i>O</i>:<i>O</i>)sodium polyiodide at 120K","Acta Crystallographica Section C","2003","59","5","m184","m186","10.1107/S0108270103006395","","","0.71073","MoKα","","0.0598","0.0468","","","0.1141","0.1328","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013262","10.3189","0.0014","11.2427","0.0017","11.8631","0.0015","93.077","0.012","111.112","0.011","113.483","0.012","1145.8","0.3","296","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H54 Fe N6 -","- C56 H54 Fe N6 -","- C56 H54 Fe N6 -","1","0.5","FG1690","Munro, Orde Q.; Ntshangase, Mthembeni M.","[Fe(TPP)(4-MePip)~2~]: an axially compressed bis(secondary amine) complex of an iron(II) porphyrin","Acta Crystallographica Section C","2003","59","6","m224","m227","10.1107/S0108270103008734","","","0.71073","MoKα","","","0.0375","","","","0.107","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013263","15.655","0.013","15.655","0.005","16.869","0.013","90","","90","","90","","4134","5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","dipropyl 3,6-diphenyl-1,2-dihydro-s-tetrazine-1,2-dicarbonate","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C176 H192 N32 O32 -","8","0.5","FR1397","Guo-Wu Rao; Wei-Xiao Hu","Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate","Acta Crystallographica Section C","2003","59","5","o281","o282","10.1107/S0108270103007212","","","0.71073","MoKα","","0.0592","0.0379","","","0.1","0.1114","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013264","11.641","0.001","12.019","0.001","17.999","0.002","90","","98.94","0.01","90","","2487.7","0.4","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotris(4- methylphenyl)tin(IV)]","","- C54 H52 Cl2 N2 Sn2 -","- C54 H52 Cl2 N2 Sn2 -","- C108 H104 Cl4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.035","0.028","","","0.066","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013265","11.736","0.001","12.06","0.001","18.054","0.002","90","","98.76","0.01","90","","2525.5","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[bromotris(4- methylphenyl)tin(IV)]","","- C54 H52 Br2 N2 Sn2 -","- C54 H52 Br2 N2 Sn2 -","- C108 H104 Br4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.042","0.036","","","0.101","0.105","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013266","12.167","0.001","12.323","0.001","16.98","0.002","90","","97.28","0.01","90","","2525.4","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[iodotris(4- methylphenyl)tin(IV)]","","- C54 H52 I2 N2 Sn2 -","- C54 H52 I2 N2 Sn2 -","- C108 H104 I4 N4 Sn4 -","2","0.5","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.038","0.03","","","0.059","0.062","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013267","15.767","0.002","14.64","0.002","19.148","0.003","90","","102.34","0.01","90","","4317.8","1.1","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-(E)-4,4'-(1,2-ethenediyl)dipyridine-κ^2^-N:N']bis[chlorotriphenyltin(IV)]","","- C48 H40 Cl2 N2 Sn2 -","- C48 H40 Cl2 N2 Sn2 -","- C192 H160 Cl8 N8 Sn8 -","4","1","FR1399","Bajue, Stanley A.; Lewis, Choy; Clarke, Karen; Bramwell, Fitzgerald B.; Patrick, Brian O.; Brock, Carolyn Pratt","Isostructural or not? Adducts of some aryltin halides with (<i>E</i>)-1,2-bis(4-pyridyl)ethene","Acta Crystallographica Section C","2003","59","6","m207","m211","10.1107/S0108270102023600","","","0.71073","MoKα","","0.043","0.027","","","0.059","0.064","","","","","","0.81","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013268","10.593","0.001","15.134","0.002","28.592","0.003","90","","90","","90","","4583.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ansa-[(tert-butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~","(N-tert-butyl-N-{[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methano-1H-inden- 2-yl]dimethylsilyl}amido)-κN]bis(N-methylmethanaminato-κN)zirconium(IV)","","- C20 H37 N3 Si Zr -","- C20 H37 N3 Si Zr -","- C160 H296 N24 Si8 Zr8 -","8","1","FR1410","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","<i>ansa</i>-[(<i>tert</i>-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction","Acta Crystallographica Section C","2003","59","4","m109","m111","10.1107/S0108270103003172","","","0.71073","MoKα","","0.038","0.029","","","0.075","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013269","12.823","0.003","11.269","0.004","15.407","0.004","90","","102.86","0.015","90","","2170.5","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-α-fluoro-16-α-methyl-3,11-dioxoandrosta-1,4-diene-17β- carboxylic acid","","- C23 H29 F O6 -","- C23 H29 F O6 -","- C92 H116 F4 O24 -","4","2","FR1413","Lalancette, Roger A.; Thompson, Hugh W.","9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding and acetic acid solvation in a steroidal keto acid related to dexamethasone","Acta Crystallographica Section C","2003","59","5","o274","o276","10.1107/S0108270103007121","","","0.71073","MoKα","","0.102","0.059","","","0.128","0.146","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013270","18.036","0.009","4.836","0.002","19.79","0.011","90","","97.02","0.02","90","","1713.2","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine","","- C21 H16 Cl N O S -","- C21 H16 Cl N O S -","- C84 H64 Cl4 N4 O4 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.076","0.044","","","0.097","0.113","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013271","4.8678","0.0011","17.563","0.003","20.129","0.005","90","","93.078","0.008","90","","1718.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxylphenyl)-2-phenyl-2-(4-tolyl)-2,3-dihydro-1,5-benzothiazepine","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.092","0.046","","","0.103","0.121","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013272","11.973","0.002","16.224","0.004","9.25","0.003","90","","94.437","0.009","90","","1791.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxylphenyl)-2-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1,5- benzothiazepine","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","FR1416","Parvez, Masood; Umbreen, Sumaira; Ansari, Farzana Latif","Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section C","2003","59","6","o298","o301","10.1107/S0108270103008345","","","0.71073","MoKα","","0.064","0.04","","","0.095","0.107","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013273","11.3771","0.0007","7.3386","0.0004","7.9974","0.0007","90","","103.431","0.006","90","","649.46","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ammonium 1,5-naphthalenedisulfonate","bis(ammonium) naphthalene-1,5-disulfonate","","- C10 H14 N2 O6 S2 -","- C10 H14 N2 O6 S2 -","- C20 H28 N4 O12 S4 -","2","0.5","FR1418","Sakwa, Samuel; Wheeler, Kraig A.","Two bis(ammonium) 1,5-naphthalenedisulfonate salts","Acta Crystallographica Section C","2003","59","6","o332","o334","10.1107/S0108270103008333","","","0.71073","MoKα","","0.0366","0.0316","","","0.082","0.0859","","","","","","1.092","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013274","6.0625","0.0004","19.282","0.001","11.6207","0.0007","90","","96.72","0.04","90","","1349.09","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxymethylhexamethylenetetraaminium 1,5-naphthalenedisulfonate","bis[1-(hydroxymethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane] 1,5-naphthalenedisulfonate","","- C24 H36 N8 O8 S2 -","- C24 H36 N8 O8 S2 -","- C48 H72 N16 O16 S4 -","2","0.5","FR1418","Sakwa, Samuel; Wheeler, Kraig A.","Two bis(ammonium) 1,5-naphthalenedisulfonate salts","Acta Crystallographica Section C","2003","59","6","o332","o334","10.1107/S0108270103008333","","","0.71073","MoKα","","0.0465","0.0381","","","0.1026","0.1082","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013275","10.234","0.002","13.69","0.004","10.478","0.002","90","","119.174","0.015","90","","1281.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[[di-μ-chloro-bis[chloro(2-ethyltetrazole-kN^4^)copper(II)]]- di-μ-ethyltetrazole-k^2^N^1^:N^4^]","","- C6 H12 Cl2 Cu N8 -","- C6 H12 Cl2 Cu N8 -","- C24 H48 Cl8 Cu4 N32 -","4","1","FR1419","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","The layered structure of poly[[di-μ-chloro-bis[chloro(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]]-di-μ-2-ethyltetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2003","59","6","m204","m206","10.1107/S0108270103008321","","","0.71073","MoKα","","0.0374","0.0341","","","0.0966","0.0982","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013276","19.91","0.003","7.8559","0.0008","19.263","0.002","90","","90","","90","","3012.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]","","- C24 H20 Cd2 N8 O14 -","- C24 H20 Cd2 N8 O14 -","- C96 H80 Cd8 N32 O56 -","4","0.5","FR1421","Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^<i>N</i>:<i>N</i>']bis[aquadinitratocadmium(II)]","Acta Crystallographica Section C","2003","59","6","m234","m236","10.1107/S0108270103008904","","","0.71073","MoKα","","0.0224","0.0191","","","0.0507","0.0517","","","","","","1.057","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013277","14.5104","0.0011","14.5104","0.0011","15.7725","0.0016","90","","90","","120","","2876","0.4","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate","","- C24 H60 Gd2 O48 Zn3 -","- C24 H36 Gd2 O45.342 Zn3 -","- C48 H72 Gd4 O90.684 Zn6 -","2","0.0833333","GA1010","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Polymeric hexaaquahexakis(μ~3~-2,2'-oxydiacetato)trizinc(II)digadolinium(III) dodecahydrate","Acta Crystallographica Section C","2003","59","5","m175","m177","10.1107/S010827010300595X","","","0.71073","MoKα","","0.0376","0.0316","","","0.0921","0.0962","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013278","8.87","0.002","10.64","0.002","12.685","0.002","103.36","0.02","98.79","0.02","110.45","0.02","1054.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfato-κ^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]cadmium(II)} tetrahydrate","","- C36 H36 Cd2 N12 O14 S2 -","- C36 H36 Cd2 N12 O14 S2 -","- C36 H36 Cd2 N12 O14 S2 -","1","0.5","GA1011","Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio","Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine","Acta Crystallographica Section C","2003","59","5","m171","m174","10.1107/S0108270103006462","","","0.71073","MoKα","","0.0832","0.0381","","","0.0508","0.0563","","","","","","0.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013279","9.7","0.002","9.755","0.002","10.324","0.002","110.34","0.02","116.59","0.02","98.83","0.02","761.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfato-κ^2^O:O'-bis[(2,2':6',2''-terpyridine- κ^3^N^1^,N^1'^,N^1''^)zinc(II)] dihydrate","","- C30 H26 N6 O10 S2 Zn2 -","- C30 H26 N6 O10 S2 Zn2 -","- C30 H26 N6 O10 S2 Zn2 -","1","0.5","GA1011","Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio","Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine","Acta Crystallographica Section C","2003","59","5","m171","m174","10.1107/S0108270103006462","","","0.71073","MoKα","","0.0579","0.0401","","","0.0682","0.0728","","","","","","0.848","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013280","6.005","0.003","17.448","0.004","10.453","0.005","90","","93.846","0.004","90","","1092.7","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","GD1244","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3β-ol","Acta Crystallographica Section C","2003","59","4","o213","o215","10.1107/S0108270103005419","","","0.71073","MoKα","","0.0773","0.0539","","","0.123","0.1364","","","","","","1.054","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013281","24.0235","0.0005","7.9361","0.0002","20.2167","0.0005","90","","107.824","0.001","90","","3669.37","0.15","150","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H26 N8 O2 -","- C14 H26 N8 O2 -","- C112 H208 N64 O16 -","8","2","GD1245","Zoran Štefanić; Biserka Kojić-Prodić; Zoran Džolić; Darinka Katalenić; Mladen Žinić; Anton Meden","Hydrogen bonding in <i>N</i>,<i>N</i>'-bis[(1<i>S</i>)-2-azido-1-(2-methylpropyl)ethyl]oxalamide: twofold symmetry of <i>R</i>f̱{_2^2}(10) hydrogen-bonded dimers connected into an α-network","Acta Crystallographica Section C","2003","59","6","o286","o288","10.1107/S0108270103005286","","","0.71069","MoKα","","","0.0537","","","","0.1287","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013282","9.7611","0.0014","10.1229","0.0015","10.7545","0.0013","88.349","0.009","87.715","0.009","62.925","0.009","945.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","N-(4-methoxyphenyl)proline peptidomimetic","(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C42 H48 N4 O6 -","2","1","GD1247","Wheeler, Kraig A.","(±)-5-(4-Methoxyphenylaminocarbonyl)-1-azabicyclo[3.3.0]octan-2-one benzene solvate","Acta Crystallographica Section C","2003","59","5","o231","o233","10.1107/S0108270103006097","","","0.71073","MoKα","","0.1024","0.0543","","","0.1147","0.1341","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013283","32.7581","0.001","5.9616","0.0002","13.3424","0.0005","90","","104.285","0.0013","90","","2525.08","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dimethyl ferrocene-1,1'-dicarboxylate","dimethyl ferrocene-1,1'-dicarboxylate","","- C14 H14 Fe O4 -","- C14 H14 Fe O4 -","- C112 H112 Fe8 O32 -","8","1","GD1249","Cetina, Mario; Jukić, Marijana; Rapić, Vladimir; Golobič, Amalija","Ferrocene compounds. XXXVIII. Dimethyl ferrocene-1,1'-dicarboxylate","Acta Crystallographica Section C","2003","59","6","m212","m214","10.1107/S0108270103008503","","","0.71073","MoKα","","0.0625","0.0464","","","0.1283","0.1412","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013284","16.9296","0.0009","9.3433","0.0005","7.3389","0.0015","90","","90","","90","","1160.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Benzo-1,3-thiazole-6-carboxamidinium chloride dihydrate","","- C8 H12 Cl N3 O2 S -","- C8 H12 Cl N3 O2 S -","- C32 H48 Cl4 N12 O8 S4 -","4","1","GG1150","Matković-Čalogović, Dubravka; Popović, Zora; Tralić-Kulenović, Vesna; Racanè, Livio; Karminski-Zamola, Grace","1,3-Benzothiazole-6-carboxamidinium chloride dihydrate","Acta Crystallographica Section C","2003","59","4","o190","o191","10.1107/S0108270103001574","","","0.71073","MoKα","","0.0405","0.0323","","","0.0769","0.0812","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013285","6.027","0.002","12.901","0.004","12.49","0.003","90","","103.96","0.03","90","","942.5","0.5","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-fluoropyridinium triflate","","- C6 H5 F4 N O3 S -","- C6 H5 F4 N O3 S -","- C24 H20 F16 N4 O12 S4 -","4","1","GG1153","Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.","<i>N</i>-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving <i>sp</i>^2^ nitrogen","Acta Crystallographica Section C","2003","59","4","m141","m143","10.1107/S0108270103001689","","","0.71073","MoKα","","","0.045","","","","0.149","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013286","7.616","0.002","11.843","0.003","14.924","0.003","90","","97.43","0.02","90","","1334.8","0.6","203","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate","","- C6 H9 F7 N3 O3 Sb -","- C6 H9 F7 N3 O3 Sb -","- C24 H36 F28 N12 O12 Sb4 -","4","1","GG1153","Banks, R. Eric; Besheesh, Mohamed K.; Pritchard, Robin G.; 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate","<i>N</i>-Fluoropyridinium trifluoromethanesulfonate and 1-fluoro-2,4,6-trimethoxy-1,3,5-triazinium hexafluoroantimonate: the first experimental determination of the F—N^+^ bond length involving <i>sp</i>^2^ nitrogen","Acta Crystallographica Section C","2003","59","4","m141","m143","10.1107/S0108270103001689","","","0.71073","MoKα","","","0.034","","","","0.071","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013287","7.6194","0.0002","19.3531","0.0006","10.3668","0.0004","90","","107.905","0.001","90","","1454.64","0.08","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","perhydrate aluminium oxalate system","","","- C6 H4 Al K3 O15.75 -","- C6 H4 Al K3 O15.75 -","- C24 H16 Al4 K12 O63 -","4","1","GG1158","Chohan, Sunil; Pritchard, Robin G.","Tripotassium tris(oxalato-κ^2^<i>O</i>,<i>O</i>')aluminate bis(hydrogen peroxide) hydrate, the first example of a cyclic hydrogen-bonded H~2~O~2~ dimer","Acta Crystallographica Section C","2003","59","5","m187","m189","10.1107/S0108270103006905","","","0.71073","MoKα","","","0.0442","","","","0.0879","","","","","","1.092","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013288","10.3274","0.0008","9.6764","0.0007","12.3385","0.001","90","","95.88","0.002","90","","1226.52","0.16","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromo-[N,N-di(pyrid-2-yl)amine]-palladium(II)","","- C10 H9 Br2 N3 Pd -","- C10 H9 Br2 N3 Pd -","- C40 H36 Br8 N12 Pd4 -","4","1","GG1159","Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang","Dibromo(<i>N</i>,<i>N</i>'-di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section C","2003","59","4","m139","m140","10.1107/S0108270103004578","","","0.71073","MoKα","","0.0409","0.0324","","","0.0884","0.0933","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013289","17.7179","0.0013","11.2784","0.0008","18.4455","0.0013","90","","112.41","0.002","90","","3407.6","0.4","294","2","294","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^6^-p-cymene)[(η^2^-diphenylphosphino-tetrafluroborate-P,F) (η^1^-diphenylphosphinoyl-tetrafluroborate-O)]ruthenium(II)","","- C34 H34 B2 F8 O P2 Ru -","- C34 H34 B2 F8 O P2 Ru -","- C136 H136 B8 F32 O4 P8 Ru4 -","4","1","GG1160","Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang","An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands","Acta Crystallographica Section C","2003","59","4","m156","m158","10.1107/S0108270103005808","","","0.71073","MoKα","","0.0494","0.0434","","","0.0949","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013290","7.363","0.001","8.676","0.002","11.048","0.002","74.21","0.03","80.33","0.03","85.47","0.03","669.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dichloro tin phthalocyanine","dichloro(phthalocyaninato(2-))tin(IV)","","- C32 H16 Cl2 N8 Sn -","- C32 H16 Cl2 N8 Sn -","- C32 H16 Cl2 N8 Sn -","1","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0359","0.0302","","","0.0767","0.0784","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013291","7.365","0.001","8.704","0.002","10.966","0.002","73.85","0.03","80.61","0.03","86.39","0.03","666.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dichlorphthalocyanine germanium","dichloro(phthalocyaninato(2-))germanium(IV)","","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","1","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0866","0.0533","","","0.1315","0.1511","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013292","9.124","0.002","14.81","0.003","10.233","0.002","90","","98.5","0.03","90","","1367.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phthalocyanine germanium","dichloro(phthalocyaninato(2-))germanium(IV)","","- C32 H16 Cl2 Ge N8 -","- C32 H16 Cl2 Ge N8 -","- C64 H32 Cl4 Ge2 N16 -","2","0.5","GG1161","Jan Janczak; Ryszard Kubiak","Two isomorphous complexes: dichloro[phthalocyaninato(2‒)]tin(IV) and dichloro[phthalocyaninato(2‒)]germanium(IV)","Acta Crystallographica Section C","2003","59","6","m237","m240","10.1107/S0108270103009417","","","0.71073","MoKα","","0.0846","0.0436","","","0.0912","0.0976","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013293","15.6658","0.0002","18.1538","0.0003","17.2513","0.0003","90","","90.2397","0.0006","90","","4906.12","0.13","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl (2RS)-2,3-diphenyl-1,3-thiazolidine-5-spiro-2'-adamantane-4,4-dicarboxylate methanol solvate","","- C23.275 H32.1 N O4.275 S -","- C28.275 H32.1 N O4.275 S -","- C226.2 H256.8 N8 O34.2 S8 -","8","2","GG1163","Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz","1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones","Acta Crystallographica Section C","2003","59","5","o250","o253","10.1107/S0108270103006504","","","0.71073","MoKα","","0.0798","0.0453","","","0.0968","0.1103","","","","","","1.022","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013294","9.817","0.001","11.233","0.002","12.459","0.002","102.53","0.01","97.91","0.01","98.52","0.01","1305.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl (4RS)-3,4-diphenyl-1,3-thiazolidine-5-spiro-9'-[9H]fluorene-2,2-dicarboxylate","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","GG1163","Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz","1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones","Acta Crystallographica Section C","2003","59","5","o250","o253","10.1107/S0108270103006504","","","0.71073","MoKα","","0.0602","0.0362","","","0.1169","0.121","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013295","10.5939","0.0003","11.7359","0.0003","16.9528","0.0004","90","","101.666","0.001","90","","2064.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jb72","[Tetraethylammonium][7-dimethylsulphide-nido-dodecahydroundecaborate]","","- C10 H38 B11 N S -","- C10 H38 B11 N S -","- C40 H152 B44 N4 S4 -","4","1","GG1164","Bould, Jonathan; Kivekäs, Raikko; Sillanpää, Reijo; Teixidor, Francesc; Viñas, Clara","[Et~4~N][7-Me~2~S-<i>nido</i>-B~11~H~12~]","Acta Crystallographica Section C","2003","59","5","o271","o273","10.1107/S010827010300698X","","","0.71073","MoKα","","0.0631","0.0416","","","0.0875","0.0962","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013296","19.917","0.003","19.917","0.003","15.608","0.003","90","","90","","120","","5362","1.5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(borato)dodeca(tert-butoxo)octadecalithium","","- C48 H108 B2 Li18 O18 -","- C48 H108 B2 Li18 O18 -","- C144 H324 B6 Li54 O54 -","3","0.166667","GG1167","Tombul, Mustafa; Errington, R. John; Coxall, Robert A.; Clegg, William","An alkoxide cluster with 18 Li^+^ ions encapsulating two borate anions, [(^<i>t^</i>BuO)~12~Li~18~(BO~3~)~2~]","Acta Crystallographica Section C","2003","59","6","m231","m233","10.1107/S0108270103009636","","","0.71073","MoKα","","0.1519","0.0782","","","0.1256","0.1526","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013297","7.377","0.001","7.424","0.001","8.934","0.001","80.07","0.01","80.97","0.01","76.15","0.01","464.51","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Pyromellitic acid‒dimethyl sulfoxide (1/2)","","- C14 H18 O10 S2 -","- C14 H18 O10 S2 -","- C14 H18 O10 S2 -","1","0.5","JZ1542","Zhi Min Jin; Yuan Jian Pan; Liang Shen; Mei Chao Li; Mao Lin Hu","Ribbons of hydrogen-bonded rings in the 1:2 complex of pyromellitic acid and dimethyl sulfoxide","Acta Crystallographica Section C","2003","59","4","o205","o206","10.1107/S0108270103004530","","","0.71073","MoKα","","0.037","0.0319","","","0.0838","0.0858","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013298","6.5261","0.0008","7.0683","0.0009","18.417","0.002","90","","90.418","0.01","90","","849.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","copper acetylenedicarboxylate tetrahydrate","catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ^2^O:O''] hydrate]","","- C4 H8 Cu O8 -","- C4 H8 Cu O8 -","- C16 H32 Cu4 O32 -","4","1","JZ1547","Billetter, Heinrich; Hohn, Frauke; Pantenburg, Ingo; Ruschewitz, Uwe","[Cu{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first copper complex of acetylenedicarboxylic acid","Acta Crystallographica Section C","2003","59","4","m130","m131","10.1107/S0108270103003469","","","0.71073","MoKα","","0.0481","0.0288","","","0.0644","0.0692","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013299","8.682","0.002","7.8835","0.0016","8.998","0.003","90","","118.088","0.018","90","","543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C18 H28 N8 O8 -","2","1","JZ1548","Seela, Frank; He, Yang; Eickmeier, Henning","5-Methyl-6-aza-2'-deoxyisocytidine","Acta Crystallographica Section C","2003","59","4","o194","o196","10.1107/S0108270103004827","","","0.71073","MoKα","","0.037","0.0363","","","0.1037","0.1051","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013300","13.7073","0.0008","16.578","0.0009","20.0237","0.0011","68.135","0.001","82.695","0.001","73.925","0.001","4056.3","0.4","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H66 B8 Cl16 O5 -","- C67 H62 B8 Cl12 O5 -","- C134 H124 B16 Cl24 O10 -","2","1","JZ1549","Bayer, Michael J.; Pritzkow, Hans; Siebert, Walter","A `tetrameric' 3,4-di-<i>p</i>-tolyl-1,2,5-oxadiborole derivative","Acta Crystallographica Section C","2003","59","5","o257","o258","10.1107/S0108270103004542","","","0.71073","MoKα","","0.0897","0.0628","","","0.1936","0.2143","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013301","15.526","0.004","3.6482","0.0009","25.797","0.006","90","","92.519","0.006","90","","1459.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(cyanoguanidine)silver(I) nitrate cyanoguanidine","","- C6 H12 Ag N13 O3 -","- C6 H12 Ag N13 O3 -","- C24 H48 Ag4 N52 O12 -","4","1","JZ1551","Dronskowski, Richard; Liu, Xiaohui","Bis(cyanoguanidine)silver(I) nitrate‒cyanoguanidine (1/1)","Acta Crystallographica Section C","2003","59","6","m243","m245","10.1107/S0108270103008357","","","0.71073","MoKα","","0.1398","0.0646","","","0.1577","0.2061","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013302","8.123","0.002","8.123","0.002","23.502","0.006","90","","90","","90","","1550.7","0.7","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","2-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.048","0.044","","","0.098","0.1","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013303","5.3537","0.0013","11.654","0.003","11.99","0.003","90","","98.1","0.01","90","","740.6","0.3","174","2","174","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.069","0.044","","","0.104","0.114","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013304","7.402","0.002","11.48","0.003","17.705","0.004","90","","96.23","0.01","90","","1495.6","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.096","0.047","","","0.103","0.118","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013305","15.139","0.004","5.4945","0.0014","18.736","0.005","90","","103.76","0.01","90","","1513.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.079","0.047","","","","0.098","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013306","5.1519","0.0013","19.739","0.005","14.694","0.004","90","","95.26","0.01","90","","1488","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.098","0.058","","","0.1","0.111","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013307","7.522","0.002","20.367","0.003","11.264","0.002","90","","103.76","0.02","90","","1676.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-benzimidazolyl) pyridine, hydrate","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","KB1001","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Two hydrates of 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine","Acta Crystallographica Section C","2003","59","5","o259","o262","10.1107/S0108270103006668","","","0.71073","MoKα","","0.0873","0.0481","","","0.1037","0.1191","","","","","","0.911","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013308","18.813","0.002","18.417","0.002","10.322","0.002","90","","104.81","0.02","90","","3457.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-benzimidazolyl) pyridine, 1.5 hydrate","","- C19 H16 N5 O1.5 -","- C19 H16 N5 O1.5 -","- C152 H128 N40 O12 -","8","2","KB1001","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Two hydrates of 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine","Acta Crystallographica Section C","2003","59","5","o259","o262","10.1107/S0108270103006668","","","0.71073","MoKα","","0.1309","0.046","","","0.0677","0.087","","","","","","0.881","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013309","10.801","0.002","10.609","0.002","10.774","0.002","90","","119.6","0.03","90","","1073.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-propanediammonium tetrathiotungstate","1,3-propanediammonium tetrathiotungstate","","- C3 H12 N2 S4 W -","- C3 H12 N2 S4 W -","- C12 H48 N8 S16 W4 -","4","1","LN1158","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate","Acta Crystallographica Section C","2003","59","4","m124","m127","10.1107/S0108270103002543","","","0.71073","MoKα","","0.0352","0.0237","","","0.0582","0.0611","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013310","8.5916","0.0011","12.3365","0.001","13.3799","0.0009","90","","101.113","0.008","90","","1391.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate","N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate","","- C6 H18 N2 S4 W -","- C6 H18 N2 S4 W -","- C24 H72 N8 S16 W4 -","4","1","LN1158","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate","Acta Crystallographica Section C","2003","59","4","m124","m127","10.1107/S0108270103002543","","","0.71073","MoKα","","0.0451","0.0272","","","0.0655","0.0693","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013311","13.719","0.002","20.817","0.003","17.39","0.002","90","","94.132","0.011","90","","4953.5","1.2","296","2","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 F6 Mn N4 O3 P Sb -","- C56 H39 F6 Mn N4 O3 P Sb -","- C224 H156 F24 Mn4 N16 O12 P4 Sb4 -","4","1","LN1160","Munro, Orde Q.; Camp, Greville L.","The first phosphite complex of a metalloporphyrin","Acta Crystallographica Section C","2003","59","4","m132","m135","10.1107/S0108270103004384","","","0.71073","MoKα","","","0.0589","","","","0.2017","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013312","10.7908","0.001","12.8626","0.001","6.8482","0.001","90","","97.932","0.012","90","","941.42","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexaaquanickel diorotate(1-) dihydrate","hexaaquanickel bis(2,4-dihydroxypyrimidine-6-carboxylate) dihydrate","","- C10 H22 N4 Ni O16 -","- C10 H22 N4 Ni O16 -","- C20 H44 N8 Ni2 O32 -","2","0.5","LN1162","Larry R. Falvello; Daniel Ferrer; Tatiana Soler; Milagros Tomás","Hexaaquanickel diorotate(1‒) dihydrate at 150K","Acta Crystallographica Section C","2003","59","4","m149","m151","10.1107/S0108270103004773","","","0.71073","MoKα","","0.0752","0.0472","","","0.1057","0.1188","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013313","7.4958","0.0006","7.1942","0.0006","20.7522","0.0018","90","","90","","90","","1119.09","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","palladium-ethylxanthate","bis(O-ethyl dithiocarbonato)palladium(II)","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","LN1165","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2003","59","5","m199","m200","10.1107/S0108270103007406","","","0.71073","MoKα","","0.0384","0.0257","","","0.0545","0.0569","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013314","7.17","0.002","8.965","0.002","10.827","0.002","76.35","0.02","74.38","0.02","69.86","0.02","621.3","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Co N2 O10 -","- C22 H28 Co N2 O10 -","- C22 H28 Co N2 O10 -","1","0.5","LN1166","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate","Acta Crystallographica Section C","2003","59","6","m228","m230","10.1107/S0108270103008722","","","0.7107","MoKα","","","0.0463","","","","0.1291","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013315","7.127","0.002","8.909","0.003","10.769","0.002","76.74","0.02","74.39","0.01","70.66","0.02","613.9","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N2 Ni O10 -","- C22 H28 N2 Ni O10 -","- C22 H28 N2 Ni O10 -","1","0.5","LN1166","Okabe, Nobuo; Muranishi, Yasunori","Cobalt(II) and nickel(II) complexes of quinoline-2-carboxylate","Acta Crystallographica Section C","2003","59","6","m228","m230","10.1107/S0108270103008722","","","0.7107","MoKα","","","0.0378","","","","0.1111","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013316","13.236","0.001","10.799","0.004","21.775","0.004","90","","91.393","0.003","90","","3111.5","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(6-chloroflavanone-3-yloxy)-o-xylene","3,3'-[o-Phenylenebis(methyleneoxy)]bis(6-chloro-2-phenylflavanone)","","- C38 H24 Cl2 O6 -","- C38 H24 Cl2 O6 -","- C152 H96 Cl8 O24 -","4","0.5","NA1583","Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.","3,3'-[<i>o</i>-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4<i>H</i>-1-benzopyran-4-one]","Acta Crystallographica Section C","2003","59","4","o181","o183","10.1107/S0108270103002361","","","0.71073","MoKα","","0.1929","0.0538","","","0.1507","0.2298","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013317","15.0485","0.0002","7.6144","0.0001","20.789","0.0002","90","","100.784","0.001","90","","2340.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(6-chloro-2-furyl-4-chromanone-3-yloxy)propane","3,3'-Propylenedioxybis[6-chloro-2-(2-furyl)flavanone]","","- C29 H18 Cl2 O8 -","- C29 H18 Cl2 O8 -","- C116 H72 Cl8 O32 -","4","1","NA1583","Thinagar, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Gupta, S. C.; Merazig, H.; Bouacida, S.","3,3'-[<i>o</i>-Phenylenebis(methyleneoxy)]bis(6-chloroflavone) and 3,3'-propylenedioxybis[6-chloro-2-(2-furyl)-4<i>H</i>-1-benzopyran-4-one]","Acta Crystallographica Section C","2003","59","4","o181","o183","10.1107/S0108270103002361","","","0.71073","MoKα","","0.089","0.054","","","0.138","0.1525","","","","","","0.924","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013318","13.982","0.007","8.922","0.005","16.533","0.008","90","","92.976","0.008","90","","2059.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propanoate","","- C19 H19 I2 N O3 -","- C19 H19 I2 N O3 -","- C76 H76 I8 N4 O12 -","4","1","NA1593","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate","Acta Crystallographica Section C","2003","59","4","o216","o218","10.1107/S0108270103005183","","","0.71073","MoKα","","0.0681","0.0555","","","0.1495","0.1603","","","","","","1.009","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013319","11.38","0.003","14.867","0.003","12.525","0.003","90","","110.431","0.004","90","","1985.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-formamido-2-(3-bromobenzyl)-3-(3-bromophenyl)propanoate","","- C19 H19 Br2 N O3 -","- C19 H19 Br2 N O3 -","- C76 H76 Br8 N4 O12 -","4","1","NA1593","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate","Acta Crystallographica Section C","2003","59","4","o216","o218","10.1107/S0108270103005183","","","0.71073","MoKα","","0.1132","0.0512","","","0.1314","0.1465","","","","","","0.877","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2013320","16.6025","0.0006","8.1908","0.0002","12.6432","0.0005","90","","92.303","0.001","90","","1717.93","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[2-Hydroxy-4-methoxyphenyl]-3-(2',3',4'-trimethoxyphenyl) prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","NA1595","A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; M. C. Bansal","1-(2-Hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section C","2003","59","6","o302","o304","10.1107/S0108270103008679","","","0.71073","MoKα","","0.1115","0.0575","","","0.1291","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013321","11.587","0.004","12.676","0.003","13.352","0.003","81.54","0.02","72.71","0.02","68.29","0.02","1738.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorotetrakis(3-phenylpyrazole-κN^2^)copper(II)","","- C36 H32 Cl2 Cu N8 -","- C36 H32 Cl2 Cu N8 -","- C72 H64 Cl4 Cu2 N16 -","2","1","NA1596","Małecka, Magdalena; Chęcińska, Lilianna","Dichlorotetrakis(3-phenylpyrazole-κ<i>N</i>^2^)copper(II)","Acta Crystallographica Section C","2003","59","4","m115","m117","10.1107/S0108270103003391","","","1.54178","CuKα","","0.0557","0.0467","","","0.1487","0.1518","","","","","","1.144","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013322","10.1364","0.0005","10.9403","0.0005","27.7309","0.001","90","","97.917","0.003","90","","3045.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Dihydroxy-1,3-bis(methoxycarbonylethoxy)calix[4]arene","diethyl 2,4-dihydroxycalix[4]arene-1,3-diyldi(oxyacetate)","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","NA1598","Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan","Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene","Acta Crystallographica Section C","2003","59","4","o221","o224","10.1107/S0108270103005298","","","0.71073","MoKα","","0.0696","0.0508","","","0.1341","0.1462","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013323","12.0173","0.0008","12.0173","0.0008","7.6972","0.0005","90","","90","","90","","1111.59","0.13","150","2","150","2","","","","","","","","3","P -4","P -4","81","1,2,3,4-tetrakis(methoxycarbonylethoxy)calix[4]arene","tetraethyl calix[4]arene-1,2,3,4-tetrayltetra(oxyacetate)","","- C44 H48 O12 -","- C44 H48 O12 -","- C44 H48 O12 -","1","0.25","NA1598","Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan","Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene","Acta Crystallographica Section C","2003","59","4","o221","o224","10.1107/S0108270103005298","","","0.71073","MoKα","","0.0749","0.0647","","","0.1812","0.1924","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013324","10.391","0.002","10.391","0.002","10.391","0.002","90","","90","","90","","1121.9","0.4","293","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 Rb2 S3 -","- Cd2 O12 Rb2 S3 -","- Cd8 O48 Rb8 S12 -","4","0.333333","NA1599","Guelylah, Abderrahim; Madariaga, Gotzon","Dirubidium dicadmium sulfate at 293K","Acta Crystallographica Section C","2003","59","5","i32","i34","10.1107/S0108270103007479","","","0.71073","MoKα","","0.0285","0.0247","","","0.0516","0.0544","","","","","","2.79","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013325","8.448","0.001","19.938","0.001","6.428","0.001","90","","90","","90","","1082.7","0.2","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","austdiol","(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro- 6H-isochromene-5-carbaldehyde","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","NA1600","Lo Presti, Leonardo; Soave, Raffaella; Destro, Riccardo","The fungal metabolite austdiol","Acta Crystallographica Section C","2003","59","4","o199","o201","10.1107/S0108270103005031","","","0.71073","MoKα","","0.0431","0.0356","","","0.0962","0.1021","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013326","9.9208","0.0016","10.7754","0.0019","11.4933","0.0017","90","","106.439","0.011","90","","1178.4","0.3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 N O7 P2 -","- C7 H17 N O7 P2 -","- C28 H68 N4 O28 P8 -","4","1","NA1602","Fernández, Daniel; Vega, Daniel","Head-to-head dimers in the zwitterion of 1-hydroxy-3-(pyrrolidin-1-yl)propylidene-1,1-bisphosphonic acid (EB 1053)","Acta Crystallographica Section C","2003","59","5","o228","o230","10.1107/S0108270103006085","","","0.71073","MoKα","","","0.037","","","","0.1029","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013327","8.254","0.0009","8.9037","0.001","9.069","0.001","106.875","0.002","98.782","0.002","90.897","0.002","629.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","meso-Bis(phenylsulfinyl)methane","","- C13 H12 O2 S2 -","- C13 H12 O2 S2 -","- C26 H24 O4 S4 -","2","1","NA1603","S. Kannan; Anwar Usman; Hoong-Kun Fun","<i>meso</i>-Bis(phenylsulfinyl)methane","Acta Crystallographica Section C","2003","59","5","o268","o270","10.1107/S0108270103006991","","","0.71073","MoKα","","0.0469","0.0378","","","0.0892","0.0936","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013328","11.666","0.003","12.937","0.005","5.714","0.003","90","","90","","90","","862.4","0.6","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H11 N O6 P2 -","- C3 H11 N O6 P2 -","- C12 H44 N4 O24 P8 -","4","1","NA1606","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound","Acta Crystallographica Section C","2003","59","6","o289","o292","10.1107/S0108270103007649","","","0.71073","MoKα","","","0.0486","","","","0.1185","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013329","11.888","0.0003","12.4715","0.0004","7.9403","0.0002","90","","95.4986","0.0013","90","","1171.82","0.06","120","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 N O9 P2 -","- C5 H17 N O9 P2 -","- C20 H68 N4 O36 P8 -","4","1","NA1606","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound","Acta Crystallographica Section C","2003","59","6","o289","o292","10.1107/S0108270103007649","","","0.71073","MoKα","","","0.0427","","","","0.1128","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013330","19.839","0.0012","10.495","0.0006","18.013","0.001","90","","95.016","0.001","90","","3736.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene endoperoxide (I)","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","2","NA1608","Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu","9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol","Acta Crystallographica Section C","2003","59","6","o308","o310","10.1107/S0108270103007625","","","0.71073","MoKα","","0.1519","0.091","","","0.1912","0.2183","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013331","8.9181","0.001","11.3071","0.0012","17.0624","0.0019","90","","90.552","0.002","90","","1720.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dihydro-9,9-dimethoxy-10-hydroxy-10-phenylanthracene","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","NA1608","Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu","9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol","Acta Crystallographica Section C","2003","59","6","o308","o310","10.1107/S0108270103007625","","","0.71073","MoKα","","0.0769","0.0601","","","0.1254","0.1326","","","","","","1.133","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013332","8.134","0.003","22.802","0.002","7.744","0.002","90","","90","","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,3S,6S)-[6-tert-butyl-1-hydroxymethyl-5-methyoxy-6-methyl-7-oxa-8-oxo -4-aza-spiro[2.5]oct-4-en-8-one","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0625","0.0524","","","0.159","0.1626","","","","","","1.024","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013333","6.894","0.001","9.423","0.001","14.428","0.002","90","","93.266","0.01","90","","935.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl (1R,1'R,3'S,6'S)-[6'-tert-butyl-5'-methyoxy-6'-methyl-7'-oxa-8'-oxo- 4'-aza-spiro[2.5] oct-4'-en-1'-yl)hydroxymethylphosphonate","","- C15 H26 N O7 P -","- C15 H26 N O7 P -","- C30 H52 N2 O14 P2 -","2","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0395","0.0354","","","0.0996","0.1015","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013334","10.8569","0.0006","12.4129","0.0006","12.9849","0.0006","90","","97.386","0.001","90","","1735.4","0.15","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-2a'-phenyl-4'-ethylspiro[indole-3,2'-[2a'H,5a'H]oxeto[5,4-b]oxazol]- 2(1H)-one","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","NA1612","Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu","1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one","Acta Crystallographica Section C","2003","59","6","o305","o307","10.1107/S0108270103008680","","","0.71073","MoKα","","0.0622","0.0491","","","0.1276","0.142","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013335","12.7908","0.001","8.7717","0.0007","17.8346","0.0013","90","","94.515","0.002","90","","1994.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Acetyl-4',5a'-diphenylspiro[indole-3,2'-(2'H,5'H)oxeto[5,4-b]oxazol]-2(1H)- one","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","NA1612","Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu","1-Acetyl-4'-ethyl-2a'-phenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one and 1-acetyl-4',5a'-diphenyl-2',2a',5',5a'-tetrahydrospiro[1<i>H</i>-indole-3,2'-oxeto[5,4-<i>b</i>]oxazol]-2(3<i>H</i>)-one","Acta Crystallographica Section C","2003","59","6","o305","o307","10.1107/S0108270103008680","","","0.71073","MoKα","","0.0824","0.066","","","0.1275","0.1337","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013336","26.533","0.005","12.297","0.002","13.079","0.003","90","","110","0.03","90","","4010","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(melaminium) DL-malate tetrahydrate'","Bis(1,3,5-triamine-2,4,6-trianine-1-ium) DL-malate tetrahydrate","","- C10 H26 N12 O9 -","- C10 H26 N12 O9 -","- C80 H208 N96 O72 -","8","1","NA1613","Jan Janczak; Genivaldo Julio Perpétuo","Bis(melaminium) <small>DL</small>-malate tetrahydrate","Acta Crystallographica Section C","2003","59","6","o349","o352","10.1107/S0108270103010047","","","0.71073","MoKα","","0.0483","0.0404","","","0.0324","0.041","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013337","19.61","0.05","17.35","0.002","16.832","0.002","90","","90","","90","","5727","15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","","- C34 H62 Cl14 N4 Si2 Zr2 -","- C34 H62 Cl14 N4 Si2 Zr2 -","- C136 H248 Cl56 N16 Si8 Zr8 -","4","0.5","NA1614","Roberto Centore; Angela Tuzi; Dario Liguori","Bis[<i>N</i>,<i>N</i>'-diisopropyl-<i>N</i>-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","Acta Crystallographica Section C","2003","59","6","m241","m242","10.1107/S0108270103010035","","","0.71069","MoKα","","0.1123","0.0491","","","0.1208","0.1469","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013338","11.4372","0.0004","7.8901","0.0003","21.1268","0.0009","90","","97.896","0.002","90","","1888.42","0.13","120","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","2","OB1096","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","17α,21-Dihydroxy-16β-methylpregna-1,4-diene-3,11,20-trione (meprednisone)","Acta Crystallographica Section C","2003","59","4","o187","o189","10.1107/S0108270103003184","","","0.71073","MoKα","","0.0666","0.0437","","","0.0864","0.0994","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013339","11.513","0.002","10.711","0.002","13.998","0.002","90","","114.1","0.01","90","","1575.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)","","- C16 H12 N2 S4 -","- C16 H12 N2 S4 -","- C64 H48 N8 S16 -","4","1","OB1097","Liu, Qingjian; Shi, Daqing; Ma, Chuanli; Pan, Fengmei; Qu, Rongjun; Yu, Kaibei; Xu, Jianhua","2,2'-(1,2-Ethanediyldithio)bis(1,3-benzothiazole)","Acta Crystallographica Section C","2003","59","4","o219","o220","10.1107/S0108270103002257","","","0.71073","MoKα","","0.044","0.03","","","0.077","0.08","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013340","13.276","0.001","13.276","0.001","18.959","0.001","90","","90","","90","","3341.6","0.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","Octaguanidinium α-silicodiplatinodecatungstate hexahydrate","","- C8 H60 N24 O46 Pt2 Si W10 -","- C8 H48 N24 O46 Pt2.04 Si W9.96 -","- C16 H96 N48 O92 Pt4.08 Si2 W19.92 -","2","0.25","OB1100","Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji","Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O","Acta Crystallographica Section C","2003","59","4","m152","m155","10.1107/S0108270103004517","","","0.3282","synchrotron","","0.0294","0.0293","","","0.0679","0.0679","","","","","","1.259","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013341","12.6034","0.0007","12.6075","0.0007","53.536","0.003","90","","90","","90","","8506.7","0.8","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs1","cis,cis-Ceratospongamide, N,N-dimethylacetamide hemisolvate cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-)","","- C43 H53.5 N7.5 O6.5 S -","- C43 H53.5 N7.5 O6.5 S -","- C344 H428 N60 O52 S8 -","8","2","OB1101","Mitsunobu Doi; Akiko Asano; Kenji Yoza","<i>cis</i>,<i>cis</i>-Ceratospongamide <i>N</i>,<i>N</i>-dimethylacetamide hemisolvate in the presence of twinning","Acta Crystallographica Section C","2003","59","6","o323","o325","10.1107/S010827010300369X","","","0.71073","MoKα","","0.0504","0.0502","","","0.1266","0.1267","","","","","","1.155","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013342","7.878","0.003","8.818","0.004","30.721","0.002","90","","90.8","0.02","90","","2133.9","1.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Fe O9 -","- C21 H21 Fe O9 -","- C84 H84 Fe4 O36 -","4","1","OB1104","Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo","<i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)iron(III) and its aluminium(III) analog","Acta Crystallographica Section C","2003","59","4","m121","m123","10.1107/S0108270103004074","","","0.7107","MoKα","","","0.0422","","","","0.1353","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013343","7.897","0.004","8.696","0.009","30.801","0.004","90","","91.4","0.03","90","","2115","2","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Al O9 -","- C21 H21 Al O9 -","- C84 H84 Al4 O36 -","4","1","OB1104","Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo","<i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)iron(III) and its aluminium(III) analog","Acta Crystallographica Section C","2003","59","4","m121","m123","10.1107/S0108270103004074","","","0.7107","MoKα","","","0.0643","","","","0.2281","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013344","14.7427","0.0004","14.7427","0.0004","22.0412","0.0006","90","","90","","90","","4790.6","0.2","296.2","","","","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Au F20 N S4 -","- C40 H36 Au F20 N S4 -","- C160 H144 Au4 F80 N4 S16 -","4","0.25","OB1105","Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida","Tetra-<i>n</i>-butylammonium tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)aurate(III)","Acta Crystallographica Section C","2003","59","5","m162","m164","10.1107/S0108270103005961","","","0.7107","MoKα","","","0.0365","","","","0.0434","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013345","18.418","0.004","9.821","0.002","9.502","0.0019","90","","96.64","0.03","90","","1707.2","0.6","295","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(3-Chlorophenyl)diazenyl]-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C68 H72 Cl4 N12 O16 -","4","1","OB1106","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Goesmann, Helmut","4-[(3-Chlorophenyl)diazenyl]-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2003","59","5","o234","o236","10.1107/S0108270103006292","","","0.71073","MoKα","","0.0552","0.0369","","","0.0915","0.1035","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013346","7.563","0.003","29.885","0.003","8.2254","0.0009","90","","90","","90","","1859.1","0.8","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-poly[tetraaquabis(thiosalicylate)barium(II)]","","- C14 H18 Ba O8 S2 -","- C14 H18 Ba O8 S2 -","- C56 H72 Ba4 O32 S8 -","4","0.5","OB1109","Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun","A one-dimensional coordination polymer with metal‒metal interactions: <i>catena</i>-poly[[triaquabarium(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-thiosalicylato-κ^4^<i>O</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","5","m196","m198","10.1107/S010827010300667X","","","0.71073","MoKα","","0.0418","0.0369","","","0.1042","0.1125","","","","","","1.129","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2013347","15.163","0.004","13.639","0.003","3.95","0.001","90","","92.39","0.02","90","","816.2","0.3","278.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 Cl4 -","- C18 H12 Cl4 -","- C36 H24 Cl8 -","2","0.5","OB1110","Yoriko Sonoda; Yuji Kawanishi; Midori Goto","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene","Acta Crystallographica Section C","2003","59","6","o311","o313","10.1107/S0108270103008370","","","0.7107","MoKα","","","0.0406","","","","0.1094","","","","","","1.502","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013348","13.0487","0.0003","5.9574","0.0001","14.0254","0.0003","90","","109.078","0.001","90","","1030.4","0.04","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate","","- C10 H24 N6 Ni O12 S2 -","- C10 H24 N6 Ni O12 S2 -","- C20 H48 N12 Ni2 O24 S4 -","2","0.5","OB1111","Sheng-Li Li; Anwar Usman; Ibrahim A. Razak; Hoong-Kun Fun; Jie-Ying Wu; Yu-Peng Tian; Min-Hua Jiang; Zu-Yao Chen","<i>trans</i>-Diaquabis(thiosemicarbazido-κ^2^<i>N</i>,<i>S</i>)nickel(II) dimaleate dihydrate","Acta Crystallographica Section C","2003","59","5","m181","m183","10.1107/S0108270103006425","","","0.71073","MoKα","","0.0532","0.0462","","","0.1074","0.1103","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013349","11.1794","0.0017","10.072","0.0016","19.591","0.003","90","","94.317","0.003","90","","2199.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-N-Methyl-t-3-isopropyl-r-2,c-6-diphenylpiperidone Thiosemicarbazone","","- C22 H28 N4 S -","- C22 H28 N4 S -","- C88 H112 N16 S4 -","4","1","OB1115","N. Sampath; S. M. Malathy Sony; M. N. Ponnuswamy; M. Nethaji","<i>t</i>-3-Isopropyl-1-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one thiosemicarbazone","Acta Crystallographica Section C","2003","59","6","o346","o348","10.1107/S010827010300917X","","","0.71073","MoKα","","0.0969","0.0636","","","0.1388","0.1536","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013350","6.8755","0.0007","14.5505","0.0002","7.852","0.0001","90","","96.898","0.006","90","","779.84","0.08","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 -","- C9 H7 N3 -","- C36 H28 N12 -","4","1","OB1116","Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta","2-Allenyl-2<i>H</i>-benzotriazole","Acta Crystallographica Section C","2003","59","6","o338","o339","10.1107/S0108270103007273","","","0.7107","MoKα","","","0.051","","","","0.087","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013351","9.221","0.002","14.457","0.002","19.897","0.002","76.39","0.01","84.2","0.01","88.06","0.01","2564.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-[N,N-bis(2-cyanoethyl)amino]pyridine silver(I) perchlorate","","- C22 H24 Ag Cl N8 O4 -","- C22 H24 Ag Cl N8 O4 -","- C88 H96 Ag4 Cl4 N32 O16 -","4","2","OB1118","Ni Jun; Li, Yi-Zhi; Xue Zheng; Chen, Hui-Lan; Wang, Zhi-Lin","Bis{4-[<i>N</i>,<i>N</i>-bis(2-cyanoethyl)amino]pyridine-κ<i>N</i>^1^}silver(I) perchlorate, with the perchlorate anion located in the cation cavity","Acta Crystallographica Section C","2003","59","6","m201","m203","10.1107/S0108270103007613","","","0.71073","MoKα","","0.0667","0.0439","","","0.098","0.103","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013352","6.0261","0.0005","12.0503","0.001","12.312","0.001","90","","100.274","0.001","90","","879.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-aminopyridine-κN^1^)(benzoato-κO)silver(I)","","- C17 H17 Ag N4 O2 -","- C17 H17 Ag N4 O2 -","- C34 H34 Ag2 N8 O4 -","2","1","OB1119","Hai-Liang Zhu; Anwar Usman; Hoong-Kun Fun; Xian-Jiang Wang","Bis(2-aminopyridine-κ<i>N</i>^1^)(benzoato-κ<i>O</i>)silver(I)","Acta Crystallographica Section C","2003","59","6","m218","m220","10.1107/S0108270103008916","","","0.71073","MoKα","","0.0397","0.0337","","","0.0831","0.0866","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013353","11.144","0.002","13.047","0.003","18.429","0.004","90","","98.19","0.03","90","","2652.2","1","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L^4^ is 3-[2,6-bis(diethylcarbamoyl)pyridin-4-yl]-N-(tert-butoxycarbonyl)alanine methyl ester","","- C24 H38 N4 O6 -","- C24 H38 N4 O6 -","- C96 H152 N16 O24 -","4","2","SK1603","Muller, Gilles; Schmidt, Boris; Jiřiček, Jan; Bünzli, Jean-Claude G.; Schenk, Kurt J.","3-[2,6-Bis(diethylcarbamoyl)pyridin-4-yl]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)alanine methyl ester: a chiral tridentate ligand that causes a diastereomeric excess of its lanthanide complexes in solution","Acta Crystallographica Section C","2003","59","6","o353","o356","10.1107/S0108270103006656","","","0.71073","MoKα","","0.0422","0.0354","","0.0576","","0.0573","","","","","","2.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013354","8.845","0.001","16.101","0.001","16.029","0.002","90","","103.97","0.01","90","","2215.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triphenylphosphine oxide-3-chlorobenzoic acid (1/1)","","- C25 H20 Cl O3 P -","- C25 H20 Cl O3 P -","- C100 H80 Cl4 O12 P4 -","4","1","SK1617","Al-Farhan, Khalid A.","Triphenylphosphine oxide‒3-chlorobenzoic acid (1/1)","Acta Crystallographica Section C","2003","59","4","o179","o180","10.1107/S0108270103003317","","","0.71073","MoKα","","0.05","0.043","","","0.11","0.118","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013355","11.6265","0.0013","14.5467","0.0009","10.0565","0.0011","90","","122.475","0.015","90","","1434.9","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","(N-carboxylatomethylaspartato)(ethylenediamine) cobalt(III) complex","[N-(Carboxylatomethyl)aspartato(3-)](ethylenediamine)cobalt(III) trihydrate","","- C8 H20 Co N3 O9 -","- C8 H20 Co N3 O9 -","- C32 H80 Co4 N12 O36 -","4","1","SK1619","Maderová, Jana; Marek, Jaromír; Pavelčík, František","[<i>N</i>-(Carboxylatomethyl)aspartato(3‒)](ethylenediamine)cobalt(III) trihydrate","Acta Crystallographica Section C","2003","59","5","m178","m180","10.1107/S0108270103006449","","","0.71073","MoKα","","0.022","0.0219","","","0.0573","0.0574","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013356","5.3026","0.0012","5.3026","0.0012","11.81","0.005","90","","90","","90","","332.07","0.18","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ag O4 Tc -","- Ag O4 Tc -","- Ag4 O16 Tc4 -","4","0.25","SK1620","Sarsfield, Mark J.; Sutton, Andrew D.; Livens, Francis R.; May, Iain; Taylor, Robin J.","Raman spectroscopy of silver pertechnetate","Acta Crystallographica Section C","2003","59","6","i45","i46","10.1107/S0108270103006486","","","0.71073","MoKα","","0.0398","0.0391","","","0.0922","0.0926","","","","","","1.454","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013357","4.8448","0.0009","10.5043","0.0019","6.0634","0.0013","90","","90","","90","","308.57","0.1","293","2","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- In Li O4 Si -","- In Li O4 Si -","- In4 Li4 O16 Si4 -","4","0.5","","Redhammer, G. J.; Roth, G.","LiInSiO~4~: a new monovalent–trivalent olivine","Acta Crystallographica, Section C","2003","59","","i38","i40","10.1107/S0108270103006346","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2013358","3.8736","0.0003","3.8736","0.0003","12.72","0.007","90","","90","","90","","190.86","0.11","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","distrontium ruthenium titanium tetraoxide","","- O4 Ru0.93 Sr2 Ti0.07 -","- O4 Ru0.929 Sr2 Ti0.071 -","- O8 Ru1.858 Sr4 Ti0.142 -","2","0.0625","SK1623","Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava","Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~","Acta Crystallographica Section C","2003","59","5","i35","i37","10.1107/S0108270103006693","","","0.71073","MoKα","","0.0141","0.0141","","","0.0325","0.0325","","","","","","1.305","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013359","3.8767","0.0005","3.8767","0.0005","12.698","0.003","90","","90","","90","","190.84","0.06","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","distrontium ruthenium titanium tetraoxide","","- O4 Ru0.81 Sr2 Ti0.19 -","- O4 Ru0.81 Sr2 Ti0.19 -","- O8 Ru1.62 Sr4 Ti0.38 -","2","0.0625","SK1623","Stefan G. Ebbinghaus; Jan Hanss; Anke Weidenkaff; Andreas Kalytta; R. J. Cava","Two Ti-doped distrontium ruthenium tetraoxides: Sr~2~Ru~0.93~Ti~0.07~O~4~ and Sr~2~Ru~0.81~Ti~0.19~O~4~","Acta Crystallographica Section C","2003","59","5","i35","i37","10.1107/S0108270103006693","","","0.71073","MoKα","","0.0195","0.0193","","","0.0446","0.0447","","","","","","1.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013360","5.6959","0.0007","30.061","0.003","7.2017","0.0008","90","","99.526","0.002","90","","1216.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis-(4-iodophenylaminomethyl)-azoxybenzene","","- C26 H22 I2 N4 O -","- C26 H22 I2 N4 O -","- C52 H44 I4 N8 O2 -","2","0.5","SK1624","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4,4'-Bis(4-iodophenylaminomethyl)azoxybenzene: hydrogen-bonded sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2003","59","4","o207","o209","10.1107/S0108270103005511","","","0.71073","MoKα","","0.0909","0.065","","","0.1434","0.1555","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013361","13.5867","0.0006","7.8621","0.0002","13.9932","0.0006","90","","90","","90","","1494.75","0.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-2,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1625","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","4","o202","o204","10.1107/S010827010300547X","","","0.71073","MoKα","","0.0945","0.047","","","0.1094","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013362","19.4182","0.001","6.942","0.001","9.0534","0.001","90","","90","","90","","1220.4","0.2","120","2","120","0.2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O6 -","- C10 H13 N5 O6 -","- C40 H52 N20 O24 -","4","1","SK1626","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-glutamic acid: a three-dimensional framework structure built from O—H···O, N—H···O and O—H···N hydrogen bonds","Acta Crystallographica Section C","2003","59","4","o210","o212","10.1107/S0108270103005754","","","0.71073","MoKα","","0.1357","0.0566","","","0.1235","0.1527","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013363","12.677","0.003","16.058","0.003","16.085","0.003","110.32","0.03","93.16","0.03","96.36","0.03","3036.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 P4 Ru Si2 -","- C66 H66 P4 Ru Si2 -","- C132 H132 P8 Ru2 Si4 -","2","1","SK1628","Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.","<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II)","Acta Crystallographica Section C","2003","59","6","m215","m217","10.1107/S0108270103007716","","","0.71073","MoKα","","","0.046","","","","0.1216","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013364","11.9017","0.0002","13.2669","0.0003","17.1934","0.0004","79.416","0.001","76.195","0.001","64.499","0.002","2369.38","0.09","120","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 P4 Ru -","- C60 H50 P4 Ru -","- C120 H100 P8 Ru2 -","2","1","SK1628","Anderson, James N.; Brookes, Neil J.; Coe, Benjamin J.; Coles, Simon J.; Light, Mark E.; Hursthouse, Michael B.","<i>trans</i>-Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis[4-(trimethylsilyl)buta-1,3-diynyl]ruthenium(II) and <i>trans</i>-bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bis(buta-1,3-diynyl)ruthenium(II)","Acta Crystallographica Section C","2003","59","6","m215","m217","10.1107/S0108270103007716","","","0.71073","MoKα","","","0.0378","","","","0.0914","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013365","12.8488","0.001","7.4416","0.001","16.962","0.002","90","","113.728","0.008","90","","1484.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitroso-pyrimidin-4(3H)-one","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","SK1629","Abonia, Rodrigo; Glidewell, Christopher; Low, John N.; Nogueras, Manuel; Quiroga, Jairo","6-Amino-2-(3,4-dimethoxybenzylamino)-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one: hydrogen-bonded sheets form interdigitated bilayers","Acta Crystallographica Section C","2003","59","5","o237","o239","10.1107/S0108270103006231","","","0.71073","MoKα","","0.0668","0.0448","","","0.1067","0.1172","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013366","8.8183","0.0003","9.6999","0.0004","10.4089","0.0005","86.787","0.002","86.377","0.002","78.798","0.003","870.76","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","(R)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1H,3H)-dionate (R)-1-phenylethylamine hemisolvate","","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","- C32 H41 N11 O8 -","1","1","SK1630","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","(<i>R</i>)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate (<i>R</i>)-1-phenylethylamine hemisolvate: hydrogen-bonded sheets of ions with pendent solvent molecules","Acta Crystallographica Section C","2003","59","5","o240","o243","10.1107/S0108270103006383","","","0.71073","MoKα","","0.0482","0.0444","","","0.1118","0.1153","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013367","8.268","0.003","11.757","0.003","11.0253","0.0019","90","","93.721","0.018","90","","1069.5","0.5","228","2","228","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H30 Co N5 O4 -","- C19 H30 Co N5 O4 -","- C38 H60 Co2 N10 O8 -","2","1","SK1631","Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E.","<i>trans</i>-Bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(1-hexenyl)(pyridine-κ<i>N</i>)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex","Acta Crystallographica Section C","2003","59","5","m193","m195","10.1107/S0108270103006899","","","0.71073","MoKα","","0.0502","0.042","","","0.1007","0.1058","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013368","9.0267","0.0001","20.0965","0.0003","8.0592","0.0001","90","","116.033","0.0009","90","","1313.65","0.03","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-[1-(prop-2-enyl)]-1,8,10-trihydoxy-9(10H)-anthracenone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","SK1634","Thamotharan, S.; Parthasarathi, V.; Kumar, Subodh; Kumar, Vijay; Linden, Anthony","Hydrogen-bonded dimers of 1,8,10-trihydroxy-10-(prop-2-enyl)anthracen-9(10<i>H</i>)-one: <i>S</i>(6), <i>R</i>^<b>1</b>_<b>2</b>(10) and <i>R</i>^<b>2</b>_<b>2</b>(14) motifs","Acta Crystallographica Section C","2003","59","6","o335","o337","10.1107/S0108270103009223","","","0.71073","MoKα","","0.065","0.047","","","0.1225","0.1352","","","","","","1.051","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013369","8.6559","0.0009","9.3275","0.0009","10.1044","0.0012","113.379","0.005","108.908","0.004","100.345","0.004","662.32","0.13","150","1","150","1","","","","","","","","4","P 1","P 1","1","","meso-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (S)-malate(2-) methanol disolvate","","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","- C22 H50 N4 O7 -","1","1","SK1635","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane (<i>S</i>)-malate(2‒) methanol disolvate: a chain of rings generated by two pairs of N—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","6","o329","o331","10.1107/S010827010300920X","","","0.71073","MoKα","","0.1174","0.064","","","0.168","0.2015","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013370","7.2451","0.0001","7.3772","0.0002","11.1339","0.0003","88.416","0.001","78.695","0.001","70.527","0.001","549.71","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ammonium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate","","- C7 H14 N6 O5 -","- C7 H14 N6 O5 -","- C14 H28 N12 O10 -","2","1","SK1636","Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Glidewell, Christopher; Low, John N.","Ammonium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate forms hydrogen-bonded bilayers","Acta Crystallographica Section C","2003","59","6","o326","o328","10.1107/S0108270103009181","","","0.71073","MoKα","","0.042","0.0378","","","0.1111","0.1176","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013371","4.9634","0.0003","11.1829","0.0009","11.796","0.0008","90","","102.665","0.004","90","","638.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione","","- C5 H6 N4 O3 -","- C5 H6 N4 O3 -","- C20 H24 N16 O12 -","4","1","SK1637","Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione forms a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2003","59","6","o340","o342","10.1107/S0108270103009302","","","0.71073","MoKα","","0.0589","0.0447","","","0.1108","0.118","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013372","6.7594","0.0001","11.2513","0.0003","12.6048","0.0002","106.467","0.002","92.911","0.001","99.935","0.001","900.46","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Barium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionate trihydrate","","- C10 H16 Ba N8 O9 -","- C10 H16 Ba N8 O9 -","- C20 H32 Ba2 N16 O18 -","2","1","SK1638","López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher","Barium bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionate] trihydrate: coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2003","59","6","m255","m258","10.1107/S0108270103009703","","","0.71073","MoKα","","0.0279","0.0269","","","0.0724","0.0728","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013373","7.834","0.002","9.408","0.002","20.532","0.004","90","","97.75","0.02","90","","1499.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Mn N2 O6 -","- C13 H14 Mn N2 O6 -","- C52 H56 Mn4 N8 O24 -","4","1","SQ1008","Liang Shen","Diaqua(2,2'-bipyridine)malonatomanganese(II)","Acta Crystallographica Section C","2003","59","4","m128","m129","10.1107/S0108270103004244","","","0.71073","MoKα","","0.0389","0.0311","","","0.0772","0.0797","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013374","8.3288","0.0004","8.522","0.0004","9.3793","0.0005","81.387","0.002","69.135","0.002","64.589","0.002","561.88","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano- 2-ethoxypropenido-κ^4^N^1^:N^3^]","","- C18 H14 Mn N8 O4 -","- C18 H14 Mn N8 O4 -","- C18 H14 Mn N8 O4 -","1","0.5","SQ1009","Schlueter, John A.; Geiser, Urs","<i>catena</i>-Poly[[diaquamanganese(II)]-di-μ-1,1,3,3-tetracyano-2-ethoxypropenido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2003","59","4","m146","m148","10.1107/S0108270103004360","","","0.71073","MoKα","","0.037","0.032","","","0.088","0.091","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013375","5.903","0.002","9.495","0.004","11.63","0.006","90","","96.09","0.02","90","","648.2","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","nootkatone","","","- C15 H22 O -","- C15 H22 O -","- C30 H44 O2 -","2","1","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.068","0.041","","","0.085","0.098","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013376","13.5","0.003","6.1403","0.001","18.909","0.005","90","","92.145","0.007","90","","1566.3","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Br2 O -","- C15 H24 Br2 O -","- C60 H96 Br8 O4 -","4","2","SQ1013","Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A.","The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative","Acta Crystallographica Section C","2003","59","5","o254","o256","10.1107/S010827010300684X","","","0.71073","MoKα","","0.081","0.053","","","0.086","0.095","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013377","9.8698","0.0002","11.7941","0.0003","7.6686","0.0001","90","","90","","90","","892.67","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- La2 Nb3 O8 S2 -","- La2 Nb3 O8 S2 -","- La8 Nb12 O32 S8 -","4","0.5","SQ1017","Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain","A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~","Acta Crystallographica Section C","2003","59","6","i55","i56","10.1107/S0108270103009570","","","0.71073","MoKα","","0.0323","0.0247","","","0.05","0.0522","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013378","10.479","0.002","5.296","0.001","22.686","0.005","90","","91.96","0.03","90","","1258.3","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Diaqua bis(dimethylsulfoxide-O) bis(3,5-dinitrobenzoato-O)zinc(II)","Bisaquabis(dimethylsulfoxide)bis(3,5-dinitrobenzoato)zinc(II)","","- C18 H22 N4 O16 S2 Zn -","- C18 H22 N4 O16 S2 Zn -","- C36 H44 N8 O32 S4 Zn2 -","2","0.5","TA1404","Miminoshvili, Elguja B.; Sobolev, Alexandre N.; Sakvarelidze, Tamara N.; Miminoshvili, Ketevan E.; Kutelia, Elguja R.","Diaquabis(dimethyl sulfoxide)bis(3,5-dinitrobenzoato)zinc(II) and the synthesis of the Cu, Ni and Co analogs","Acta Crystallographica Section C","2003","59","4","m118","m120","10.1107/S0108270103003779","","","0.71073","MoKα","","0.0373","0.0266","","","0.0677","0.0707","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013379","11.9081","0.0018","6.4458","0.0007","13.996","0.003","90","","111.44","0.016","90","","1000","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Carbamoylguanidinium methylphosphonate hydrate","","- C3 H13 N4 O5 P -","- C3 H13 N4 O5 P -","- C12 H52 N16 O20 P4 -","4","1","TR1047","Brauer, David J.; Kottsieper, Konstantin W.","Hydrogen bonding in 1-carbamoylguanidinium methylphosphonate monohydrate","Acta Crystallographica Section C","2003","59","5","o244","o246","10.1107/S0108270103005857","","","0.71073","MoKα","","0.064","0.0369","","","0.0791","0.0851","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013380","15.154","0.004","10.499","0.003","36.743","0.008","90","","90","","90","","5846","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane","","- C28 H44 S6 -","- C28 H44 S6 -","- C224 H352 S48 -","8","1","TR1053","Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata","Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]","Acta Crystallographica Section C","2003","59","6","o314","o316","10.1107/S0108270103008369","","","0.71069","MoKα","","","0.0629","","","","0.2043","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013381","9.862","0.006","16.541","0.005","10.21","0.012","90","","113.84","0.04","90","","1523","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate","","- C16 H31 Ag4 Cu2 N13 O2 -","- C16 H31 Ag4 Cu2 N13 O2 -","- C32 H62 Ag8 Cu4 N26 O4 -","2","0.5","TR1059","Potočňák, Ivan; Triščíková, Ľubica; Wagner, Christoph","Low-dimensional compounds containing cyano groups. VI. A unique two- and one-dimensional structure in amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate","Acta Crystallographica Section C","2003","59","6","m249","m251","10.1107/S0108270103010151","","","0.71073","MoKα","","0.058","0.0422","","","0.0998","0.1133","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013382","8.6026","0.0019","9.957","0.002","15.664","0.004","79.05","0.03","87.01","0.03","79.64","0.03","1295.6","0.5","220","1","220","1","","","","","","","","7","P -1","-P 1","2","","Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate","","- C27 H16 Cu F3 N7 O3 S -","- C27 H16 Cu F3 N7 O3 S -","- C54 H32 Cu2 F6 N14 O6 S2 -","2","1","TR1060","Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar","Low-dimensional compounds containing cyano groups. VII. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trifluoromethanesulfonate","Acta Crystallographica Section C","2003","59","6","m252","m254","10.1107/S0108270103010187","","","0.71069","MoKα","","0.047","0.0354","","","0.0917","0.0999","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013383","12.097","0.003","7.021","0.002","15.425","0.004","90","","96.645","0.005","90","","1301.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","","- C10 H13 Cl2 N3 S2 -","- C10 H13 Cl2 N3 S2 -","- C40 H52 Cl8 N12 S8 -","4","1","TY1000","Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","Acta Crystallographica Section C","2003","59","6","o293","o297","10.1107/S0108270103007686","","","0.71073","MoKα","","0.0497","0.0333","","","0.0811","0.0886","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013384","8.0944","0.0008","13.9838","0.0014","30.482","0.003","90","","92.292","0.002","90","","3447.5","0.6","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","","- C16 H19 N7 S2 -","- C16 H19 N7 S2 -","- C128 H152 N56 S16 -","8","1","TY1000","Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","Acta Crystallographica Section C","2003","59","6","o293","o297","10.1107/S0108270103007686","","","0.71073","MoKα","","0.083","0.04","","","0.0967","0.119","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013385","7.8826","0.0004","8.0041","0.0004","8.2092","0.0005","65.505","0.0001","69.566","0.0001","69.037","0.0001","427.67","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(Hydroxymethyl)pyridinium dihydrogenphosphate","","- C6 H10 N O5 P -","- C6 H10 N O5 P -","- C12 H20 N2 O10 P2 -","2","1","AV1139","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","2-(Hydroxymethyl)pyridinium dihydrogenphosphate","Acta Crystallographica Section C","2003","59","7","o378","o380","10.1107/S0108270103011077","","","0.71073","MoKα","","0.0425","0.0386","","","0.1123","0.1152","","","","","","1.079","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013386","15.07","0.003","6.4292","0.0012","9.8694","0.0018","90","","90","","90","","956.2","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H13 N5 -","- C8 H13 N5 -","- C32 H52 N20 -","4","1","AV1140","Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile","Acta Crystallographica Section C","2003","59","7","o388","o389","10.1107/S0108270103011387","","","0.71073","MoKα","","0.0412","0.0367","","","0.1027","0.1076","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013387","14.316","0.002","7.7313","0.0011","17.678","0.003","90","","112.43","","90","","1808.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","AV1142","Starova, Galina Leonidovna; Egorov, Maxim Sergeevitch; Vasiljeva, Evgenija Sergeevna; Shavva, Alexandr Grigorievitch","17β-Ethoxy-3-methoxy-8-isoestra-1,3,5(10)-triene","Acta Crystallographica Section C","2003","59","8","o451","o453","10.1107/S0108270103013775","","","0.71073","MoKα","","0.1961","0.0463","","","0.0728","0.0958","","","","","","0.759","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013388","32.2","0.004","15.993","0.002","18.415","0.002","90","","105.228","0.002","90","","9150.3","1.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- As4 H95 N9 O95 W17 Zr2 -","- As4 N9 O95 W17 Zr2 -","- As16 N36 O380 W68 Zr8 -","4","0.5","BC1008","Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine","A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O","Acta Crystallographica Section C","2003","59","7","i65","i66","10.1107/S0108270103006358","","","0.71073","MoKα","","0.0512","0.0358","","","0.0788","0.0846","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013389","22.633","0.003","22.633","0.003","4.0252","0.0008","90","","90","","90","","2061.9","0.6","293","","","","","","","","","","","4","I 4/m","-I 4","87","Lanthanum titanium oxysulfide","hexadecalanthanum pentatitanium heptadecasulfide heptadecaoxide","","- La16 O17 S17.75 Ti5 -","- La16 O17 S17.75 Ti5 -","- La32 O34 S35.5 Ti10 -","2","0.125","BC1010","Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain","A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9)","Acta Crystallographica Section C","2003","59","7","i63","i64","10.1107/S0108270103010552","","","0.71069","MoKα","","0.0298","0.0234","","","0.0314","0.0323","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013390","14.807","0.001","9.5404","0.0019","10.394","0.001","90","","134.12","0.02","90","","1054.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","gismondine-type lithium potassium aluminogermanate","lithium potassium dialuminum digermanium octaoxide dihydrate","","- Al Ge H2 K0.5 Li0.5 O5 -","- Al Ge K0.49 Li0.5 O5 -","- Al8 Ge8 K3.92 Li4 O40 -","8","1","BC1016","Celestian, Aaron J.; Parise, John B.; Tripathi, Akhilesh; Kvick, Åke; Vaughan, Gavin M.B.","(K~4~Li~4~)Al~8~Ge~8~O~32~·8H~2~O: an Li^±exchanged potassium aluminogermanate with the zeolite gismondine (GIS) topology","Acta Crystallographica Section C","2003","59","8","i74","i76","10.1107/S0108270103011739","","","0.51641","Synchrotron","","0.0337","0.0327","","","0.0758","0.0761","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013391","10.0308","0.0014","10.0308","0.0014","10.0308","0.0014","90","","90","","90","","1009.3","0.2","295","2","295","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","cesium magnesium phosphate hydrate","cesium hexaaquamagnesium phosphate","","- Cs H12 Mg O10 P -","- Cs H12 Mg O10 P -","- Cs4 H48 Mg4 O40 P4 -","4","0.0416667","BC1018","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","A new cubic form of caesium hexaaquamagnesium phosphate, Cs[Mg(H~2~O)~6~](PO~4~)","Acta Crystallographica Section C","2003","59","8","i83","i85","10.1107/S0108270103011417","","","0.71073","MoKα","","0.0186","0.017","","","0.0347","0.035","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013392","6.1903","0.0001","12.0733","0.0002","7.0741","0.0001","90","","115.67","0.0008","90","","476.519","0.013","250","1","250","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (I)","potassium dihydrogenphosphate - hydrofluoric acid adduct (I)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.023","0.0218","","","0.0557","0.0565","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013393","6.1624","0.0001","12.0744","0.0002","7.0448","0.0001","90","","115.74","0.0009","90","","472.172","0.013","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (I)","potassium dihydrogenphosphate - hydrofluoric acid adduct (I)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.021","0.0201","","","0.0589","0.0593","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013394","6.5004","0.0002","7.6116","0.0002","9.5029","0.0002","90","","101.15","0.0016","90","","461.31","0.02","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (II)","potassium dihydrogenphosphate - hydrofluoric acid adduct (II)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.71069","MoKα","","0.0258","0.0249","","","0.0698","0.0705","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013395","6.448","0.0002","7.566","0.0002","9.476","0.0003","90","","101.237","0.0018","90","","453.43","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH~2~PO~4~.HF adduct (II)","potassium dihydrogenphosphate - hydrofluoric acid adduct (II)","","- F H3 K O4 P -","- F H3 K O4 P -","- F4 H12 K4 O16 P4 -","4","1","BC1019","Krupková, Radmila; Fábry, Jan; Vaněk, Přemysl; Císařová, Ivana","Two modifications of a KH~2~PO~4~·HF adduct","Acta Crystallographica Section C","2003","59","8","i79","i82","10.1107/S0108270103012654","","","0.7107","MoKα","","0.0245","0.0239","","","0.0591","0.0594","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013396","10.559","0.004","7.898","0.003","6.057","0.003","90","","90","","90","","505.1","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","sodium hexafluorophosphate monohydrate","sodium hexafluorophospate monohydrate","","- F6 H2 Na O P -","- F6 H2 Na O P -","- F24 H8 Na4 O4 P4 -","4","0.5","BC1021","Ilia A. Guzei; Joseph M. Langenhan","The correct space group of NaPF~6~·H~2~O","Acta Crystallographica Section C","2003","59","9","i95","i96","10.1107/S0108270103014446","","","0.71073","MoKα","","0.054","0.0452","","","0.0942","0.0976","","","","","","1.183","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013397","13.639","0.003","8.899","0.002","6.9254","0.0017","90","","97.13","0.02","90","","834.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis(3-cyanofurazan-4-yl) ether","","- C6 N6 O3 -","- C6 N6 O3 -","- C24 N24 O12 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.039","0.0341","","","0.0992","0.1014","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013398","7.853","0.002","8.791","0.002","12.229","0.003","90","","90","","90","","844.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-cyanofurazanyl 3-nitrofurazanyl ether","","- C5 N6 O5 -","- C5 N6 O5 -","- C20 N24 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0559","0.0451","","","0.1173","0.1207","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013399","7.8295","0.0015","8.6273","0.0018","17.409","0.003","90","","90","","90","","1175.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-bis(3-cyanofurazan-4-yloxy)furazan","","- C8 N8 O5 -","- C8 N8 O5 -","- C32 N32 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0495","0.0447","","","0.1248","0.1281","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013400","6.43","0.0013","13.709","0.003","17.134","0.003","90","","90","","90","","1510.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene","","- C10 N12 O6 -","- C10 N12 O6 -","- C40 N48 O24 -","4","0.5","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0556","0.0404","","","0.1011","0.1107","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013401","11.4841","0.0002","13.5642","0.0003","17.5171","0.0004","87.147","0.001","88.062","0.001","81.073","0.001","2691.35","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","cis-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~ tetrahydrofuran solvate","tetracarbonyl-1κ^4^C-tris(triphenylphosphino)-1κP,2κP,3κP-triangulo- chromiumdisilver(Au—Au)(2 Cr—Au) tetrahydrofuran solvate","","- C62 H53 Au2 Cr O5 P3 -","- C62 H53 Au2 Cr O5 P3 -","- C124 H106 Au4 Cr2 O10 P6 -","2","1","BM1531","Esterhuysen, Matthias W.; Raubenheimer, Helgard G.","[<i>cis</i>-{η^2^-(Ph~3~PAu)~2~}Ph~3~PCr(CO)~4~]·THF, featuring the shortest known separation between two Au metal centres in a heteronuclear Au~2~<i>M</i> cluster","Acta Crystallographica Section C","2003","59","7","m286","m288","10.1107/S0108270103010370","","","0.71073","MoKα","","0.0523","0.0306","","","0.0522","0.0574","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013402","16.3632","0.0005","5.3329","0.0002","8.4108","0.0003","90","","100.364","0.002","90","","721.98","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Bromo-2-hydroxybenzyl alcohol","4-Bromo-2-hydroxymethyl-phenol","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C28 H28 Br4 O8 -","4","1","BM1532","Philip J. Cox","4-Bromo-2-(hydroxymethyl)phenol: helical hydrogen bonding, <i>R</i>_<b>2</b>^<b>2</b>(12) rings and C—H···π interactions","Acta Crystallographica Section C","2003","59","9","o512","o513","10.1107/S0108270103013635","","","0.71073","MoKα","","0.0471","0.0417","","","0.1098","0.1144","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013403","9.629","0.0019","12.459","0.003","13.867","0.003","82.91","0.03","81.28","0.03","83.65","0.03","1624.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6,7,8-tetra-tert-butyl-1,2,3-triphospha-5- phosphoniapentacyclo[3.2.1.0^2,4^.0^3,8^]oct-6-ene tetraiodogallate","","- C20 H37 Ga I4 P4 -","- C20 H37 Ga I4 P4 -","- C40 H74 Ga2 I8 P8 -","2","1","BM1533","Baker, Robert J.; Bettentrup, Helga; Jones, Cameron","The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane","Acta Crystallographica Section C","2003","59","9","m339","m341","10.1107/S0108270103014501","","","0.71073","MoKα","","0.0772","0.0571","","","0.137","0.151","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013404","12.082","0.002","17.522","0.004","14.615","0.003","90","","101.47","0.03","90","","3032.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodo(3,5,7,8-tetra-tert-butyl-1,2,4λ^5^,6- tetraphosphatetracyclo[4.1.1.0^2,5^.0^7,8^]octan-4-one)gallium","","- C20 H38 Ga I3 O P4 -","- C20 H38 Ga I3 O P4 -","- C80 H152 Ga4 I12 O4 P16 -","4","1","BM1533","Baker, Robert J.; Bettentrup, Helga; Jones, Cameron","The synthesis of phosphorus heterocycles from tetra-<i>tert</i>-butyltetraphosphacubane","Acta Crystallographica Section C","2003","59","9","m339","m341","10.1107/S0108270103014501","","","0.71073","MoKα","","0.0406","0.0332","","","0.078","0.0814","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013405","11.0551","0.0004","11.7236","0.0004","11.8718","0.0005","64.1855","0.0018","89.6613","0.0016","83.484","0.002","1374.53","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","Imperatorin, Phellopterin","8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one 5-methoxy-8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one (0.93/0.07)","","- C16.08 H14.15 O4.08 -","- C16.074 H14.148 O4.074 -","- C64.296 H56.592 O16.296 -","4","2","BM1534","Philip J Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb","A mixed crystal of imperatorin and phellopterin, with C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section C","2003","59","9","o520","o522","10.1107/S0108270103012459","","","0.71073","MoKα","","0.1638","0.0838","","","0.1535","0.1813","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013406","12.951","0.003","11.43","0.002","9.4079","0.0019","90","","109.51","0.03","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-chloro-m-cresol","2-chloro-methylphenol","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C56 H56 Cl8 O8 -","8","2","BM1535","Philip J Cox","Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)","Acta Crystallographica Section C","2003","59","9","o533","o536","10.1107/S0108270103012447","","","0.71073","MoKα","","0.0646","0.0561","","","0.1339","0.1376","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013407","10.6998","0.0004","14.2926","0.0005","8.7105","0.0003","90","","91.152","0.002","90","","1331.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chloro-m-cresol","4-chloro-3-methylphenol","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C56 H56 Cl8 O8 -","8","2","BM1535","Philip J Cox","Supramolecular structures of 2-chloro-5-methylphenol and 4-chloro-3-methylphenol (chlorocresol)","Acta Crystallographica Section C","2003","59","9","o533","o536","10.1107/S0108270103012447","","","0.71073","MoKα","","0.0861","0.0457","","","0.0988","0.1132","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013408","17.5017","0.0017","17.5017","0.0017","7.7186","0.0008","90","","90","","90","","2364.3","0.4","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","BM1538","Tunc̨, Tuncay; Tezcan, Habibe; Sarı, Musa; Büyükgüngör, Orhan; Yaǵbasan, Rahmi","<i>N</i>-(4-Nitrobenzylidene)-<i>N</i>'-phenylhydrazine","Acta Crystallographica Section C","2003","59","9","o528","o529","10.1107/S0108270103016019","","","0.71073","MoKα","","0.0655","0.0323","","","0.0679","0.0702","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013409","10.471","0.001","13.1323","0.0011","14.0516","0.0012","90","","102.19","0.01","90","","1888.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrazolo[3,4-d]pyrimidine","4,6-Bis(methylsulfanyl)-1-phthalimidopropyl-1H-pyrazolo[3,4-d]pyrimidine","","- C18 H17 N5 O2 S2 -","- C18 H17 N5 O2 S2 -","- C72 H68 N20 O8 S8 -","4","1","DE1208","Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.","Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties","Acta Crystallographica Section C","2003","59","8","o409","o412","10.1107/S0108270103011442","","","0.71073","MoKα","","0.0548","0.0372","","","0.083","0.092","","","","","","1.019","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013410","7.5993","0.0006","9.3968","0.0007","15.376","0.002","80.684","0.008","82.48","0.01","72.685","0.006","1030.41","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Parazolo[3,4-d]pyrimidine","6-Methylsulfanyl-1-phthalimidopropyl-4-pyrrolidino-1H- pyrazolo[3,4-d]pyrimidine","","- C21 H22 N6 O2 S -","- C21 H22 N6 O2 S -","- C42 H44 N12 O4 S2 -","2","1","DE1208","Avasthi, Kamlakar; Bhagat, Deepa; Bal, Chandralata; Sharon, Ashoke; Yadav, Umesh; Maulik, Prakas R.","Unusual molecular conformation in dissymmetric propylene-linker compounds containing pyrazolo[3,4-<i>d</i>]pyrimidine and phthalimide moieties","Acta Crystallographica Section C","2003","59","8","o409","o412","10.1107/S0108270103011442","","","0.71073","MoKα","","0.0919","0.0569","","","0.1403","0.1707","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013411","9.157","0.001","9.768","0.001","11.366","0.002","98.95","0.01","97.14","0.01","94.03","0.01","992.3","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Ca F6 N8 O12 S2 -","- C28 H36 Ca F6 N8 O12 S2 -","- C28 H36 Ca F6 N8 O12 S2 -","1","0.5","DE1212","M. Barboiu; A. van der Lee","Hydrogen bonding in calcium‒trifluoromethanesulfonate‒1,3-di-4-pyridylurea‒methanol (1/2/2/4)","Acta Crystallographica Section C","2003","59","9","m366","m368","10.1107/S0108270103011454","","","0.71073","MoKα","","0.0748","0.035","","","0.0602","0.0663","","","","","","0.695","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013412","8.152","0.002","15.622","0.004","18.08","0.005","86.6","0.01","86.93","0.01","75.57","0.01","2224.1","1","174","2","174","2","","","","","","","","3","P -1","-P 1","2","diiododurene","1,4-Diiodo-2,3,5,6-tetramethylbenzene","","- C10 H12 I2 -","- C10 H12 I2 -","- C80 H96 I16 -","8","4","DE1213","Britton, Doyle; Gleason, William B.","Diiododurene: four centrosymmetric molecules in general positions","Acta Crystallographica Section C","2003","59","8","o439","o442","10.1107/S0108270103012769","","","0.71073","MoKα","","0.047","0.027","","","0.06","0.061","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013413","21.044","0.002","8.814","0.001","18.953","0.002","90","","118.07","0.01","90","","3101.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyrazolo[3,4-d]pyrimidine","1,3-bis(4,6-diisopropylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C25 H36 N8 S4 -","- C25 H36 N8 S4 -","- C100 H144 N32 S16 -","4","0.5","DE1217","Avasthi, Kamlakar; Farooq, Sheikh M.; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.","A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect on stacking of a bulky isopropyl group in comparison with a methyl/ethyl group","Acta Crystallographica Section C","2003","59","9","o523","o524","10.1107/S0108270103016676","","","0.71073","MoKα","","0.0415","0.0345","","","0.089","0.0936","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013414","11.817","0.003","11.817","0.003","36.608","0.004","90","","90","","90","","5112","1.9","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C63 H44 F6 N4 Ru -","- C63 H44 F6 N4 Ru -","- C252 H176 F24 N16 Ru4 -","4","0.5","DE1218","Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2003","59","9","m369","m370","10.1107/S010827010301669X","","","0.71069","MoKα","","0.088","0.05","","","0.124","0.142","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013415","10.824","0.005","24.12","0.01","13.18","0.003","90","","95.42","0.03","90","","3426","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[1-(p-chlorophenyl)-5-isopropylbiguanide] nickel(II) dichloride dimethylformamide solvate.","","- C25 H39 Cl4 N11 Ni O -","- C25 H39 Cl4 N11 Ni O -","- C100 H156 Cl16 N44 Ni4 O4 -","4","1","DN1020","F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat","Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate","Acta Crystallographica Section C","2003","59","8","m331","m333","10.1107/S0108270103013519","","","0.71069","MoKα","","0.1238","0.0399","","","0.0896","0.1098","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013416","11.546","0.002","10.321","0.003","11.594","0.004","90","","118.031","0.005","90","","1219.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'R,3'R,5'R,2S,3S)-3-bromomethyl-3-hydroxy-2-[(2'-hydroxy-2',6',6'- trimethylbicyclo[3.1.1]hept-3'-ylidene)amino]succinic acid","","- C21 H34 Br N O6 -","- C21 H34 Br N O6 -","- C42 H68 Br2 N2 O12 -","2","1","DN1023","Johny Wehbe; Valérie Rolland; Jean Martinez; Marc Rolland","An intermediate in a new synthesis approach to β-substituted β-hydroxyaspartame","Acta Crystallographica Section C","2003","59","8","o473","o475","10.1107/S0108270103014057","","","0.71073","MoKα","","0.0598","0.0458","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013417","13.4356","0.0006","7.2183","0.0002","16.0421","0.0006","90","","118.51","0.002","90","","1367.13","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu N4 -","- C12 H12 Cl2 Cu N4 -","- C48 H48 Cl8 Cu4 N16 -","4","1","DN1026","Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.","Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium","Acta Crystallographica Section C","2003","59","8","m334","m336","10.1107/S0108270103013945","","","0.71073","MoKα","","0.0359","0.0311","","","0.0746","0.0775","","","","","","1.066","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013418","7.8306","0.0002","9.7979","0.0003","10.1976","0.0004","92.861","0.001","112.014","0.001","105.493","0.001","689.07","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cd2 Cl4 N8 -","- C24 H24 Cd2 Cl4 N8 -","- C24 H24 Cd2 Cl4 N8 -","1","0.5","DN1026","Sbai, F.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.","Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium","Acta Crystallographica Section C","2003","59","8","m334","m336","10.1107/S0108270103013945","","","0.71073","MoKα","","0.0236","0.0215","","","0.0495","0.0511","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013419","7.691","0.013","14.41","0.02","8.909","0.011","90","","113.13","0.02","90","","908","2","14","1","14","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DBM","1,3-dibromo-2,4,6-trimethylbenzene","","- C9 H10 Br2 -","- C9 H10 Br2 -","- C36 H40 Br8 -","4","1","FA1013","Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean","The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K","Acta Crystallographica Section C","2003","59","8","o445","o450","10.1107/S0108270103012666","","neutron","0.8308","Neutron","","","0.0261","","","","0.0233","","","","","","1.1552","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013420","7.721","0.014","14.46","0.03","8.924","0.017","90","","112.87","0.02","90","","918","3","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DBM","1,3-dibromo-2,4,6-trimethylbenzene","","- C9 H10 Br2 -","- C9 H10 Br2 -","- C36 H40 Br8 -","4","1","FA1013","Hernandez, Olivier; Cousson, Alain; Plazanet, Marie; Nierlich, Martine; Meinnel, Jean","The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14K","Acta Crystallographica Section C","2003","59","8","o445","o450","10.1107/S0108270103012666","","neutron","0.8308","Neutron","","","0.0324","","","","0.0235","","","","","","1.0624","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013421","7.1797","0.0015","8.954","0.003","14.301","0.004","90","","99.401","0.007","90","","907","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","uranyl dinitrate trihydrate","diaquadinitratouranyl(VI) hydrate","","- H6 N2 O11 U -","- H6 N2 O11 U -","- H24 N8 O44 U4 -","4","1","FA1015","Shuvalov, Robert R.; Burns, Peter C.","A monoclinic polymorph of uranyl dinitrate trihydrate, [UO~2~(NO~3~)~2~(H~2~O)~2~]·H~2~O","Acta Crystallographica Section C","2003","59","8","i71","i73","10.1107/S0108270103012113","","","0.71073","MoKα","","","0.0303","","","","0.059","","","","","","0.996","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2013422","7.517","0.0015","12.733","0.003","12.956","0.003","90","","94.96","0.03","90","","1235.4","0.5","293","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(3,5-diaza-1-azonia-7-phosphaadamantane- κP)bis(thiocyanato-κS)palladium(II) bis(thiocyanate)","","- C16 H26 N10 P2 Pd S4 -","- C16 H26 N10 P2 Pd S4 -","- C32 H52 N20 P4 Pd2 S8 -","2","0.5","FA1019","Meij, Anna M. M.; Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Bis(3,5-diaza-1-azonia-7-phosphaadamantane-κ<i>P</i>)bis(thiocyanato-κ<i>S</i>)palladium(II) bis(thiocyanate)","Acta Crystallographica Section C","2003","59","9","m352","m354","10.1107/S010827010301521X","","","0.71073","MoKα","","0.0468","0.0289","","","0.052","0.0569","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013423","6.08","0.003","6.815","0.003","14.314","0.005","96.86","0.04","91.28","0.04","101.4","0.05","576.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1H-pyrazole-1-carboxamide","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C24 H30 N6 O2 -","2","1","FA1020","Viktor Kettmann; Jan Světlík","4,5-Dihydro-3-methyl-5-(4-methylphenyl)-1<i>H</i>-pyrazole-1-carboxamide","Acta Crystallographica Section C","2003","59","8","o419","o421","10.1107/S0108270103012241","","","0.71073","MoKα","","0.0852","0.0516","","","0.1275","0.1456","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013424","10.8567","0.0005","11.1494","0.0005","13.2873","0.001","66.672","0.005","73.054","0.005","80.19","0.005","1410","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","chloro[1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)-3- quinolinecarboxylate-κ^2^O^3^,O^4^](1,10-phenanthroline-κ^2^N,N')copper chloride dihydrate","","- C29 H30 Cl2 Cu F N5 O5 -","- C29 H30 Cl2 Cu F N5 O5 -","- C58 H60 Cl4 Cu2 F2 N10 O10 -","2","1","FA1021","Drevenšek, Petra; Leban, Ivan; Turel, Iztok; Giester, Gerald; Tillmanns, Ekkehart","A novel copper(II) complex with 1,10-phenanthroline and ciprofloxacin","Acta Crystallographica Section C","2003","59","9","m376","m378","10.1107/S0108270103016330","","","0.71073","MoKα","","0.036","0.029","","","0.071","0.074","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013425","18.831","0.005","16.423","0.004","14.65","0.004","90","","98.107","0.006","90","","4485","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N12 Ru S2 -","- C46 H38 N12 Ru S2 -","- C184 H152 N48 Ru4 S8 -","4","0.5","FG1686","Seamans, Gary; Walsh, Jerry L.; Krawiec, Mariusz; Pennington, William T.","A ruthenium complex with 1,5-diphenyl-3-thiocarbazone (dithizone) as monodentate ligands: bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dithizonato-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2003","59","7","m268","m270","10.1107/S0108270103009338","","","0.7107","MoKα","","0.1056","0.0708","","","0.1254","0.1387","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013426","7.1159","0.0006","10.7627","0.0011","12.1055","0.001","90","","90","","90","","927.12","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η^6^-Chlorobenzene)tricarbonylchromium","","- C9 H5 Cl Cr O3 -","- C9 H5 Cl Cr O3 -","- C36 H20 Cl4 Cr4 O12 -","4","1","FG1692","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E.","Tricarbonyl(η^6^-chlorobenzene)chromium","Acta Crystallographica Section C","2003","59","8","m322","m324","10.1107/S0108270103013787","","","0.71073","MoKα","","0.1311","0.056","","","0.0823","0.0972","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013427","13.452","0.001","13.671","0.002","7.034","0.002","90","","93.442","0.011","90","","1291.2","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","FG1694","Hörner, Manfredo; Bresolin, Leandro.; Bordinhao, Jairo; Hartmann, Edmund.; Strähle, Joachim.","1,3-Bis(4-nitrophenyl)triazene","Acta Crystallographica Section C","2003","59","8","o426","o427","10.1107/S0108270103012125","","","0.71073","MoKα","","","0.0384","","","","0.1238","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013428","4.66","0.001","7.288","0.002","14.868","0.004","95.28","0.01","91.97","0.01","97.21","0.01","498.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Thioamide hydrazide of 4-N-methylamino-3-carbonic acid","Thioamide hydrazide of 4-N-methylamino-3-carbonic acid","","- C5 H8 N6 O S2 -","- C5 H8 N6 O S2 -","- C10 H16 N12 O2 S4 -","2","1","FG1695","Fonari, Marina S.; Simonov, Yurii A.; Lipkowski, Janusz; Yavolovskii, Arkadii A.","1-(4-Methylamino-1,2,5-thiadiazole-3-carbonyl)thiosemicarbazide","Acta Crystallographica Section C","2003","59","9","o491","o493","10.1107/S0108270103014136","","","0.7107","MoKα","","0.0651","0.0436","","","0.1005","0.1091","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013429","11.7971","0.0006","11.5539","0.0007","15.313","0.001","90","","106.956","0.002","90","","1996.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Mg2 N4 Na2 O -","- C36 H72 Mg2 N4 Na2 O -","- C72 H144 Mg4 N8 Na4 O2 -","2","0.5","FG1696","Kennedy, Alan R.; MacLellan, Jonathan G.; Mulvey, Robert E.","A new Na/Mg inverse crown ether","Acta Crystallographica Section C","2003","59","8","m302","m303","10.1107/S0108270103011727","","","0.71073","MoKα","","0.0902","0.0538","","","0.1223","0.141","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013430","10.48","0.002","13.783","0.002","9.758","0.002","90","","90","","90","","1409.5","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Sn -","- C6 H9 Cl4 N3 Sn -","- C24 H36 Cl16 N12 Sn4 -","4","0.5","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.021","0.019","","0.023","","0.022","","","1.183","","","1.161","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013431","11.274","0.002","13.822","0.002","21.606","0.003","90","","90","","90","","3366.8","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Cl4 N3 Sn -","- C9 H15 Cl4 N3 Sn -","- C72 H120 Cl32 N24 Sn8 -","8","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.049","0.027","","0.038","","0.034","","","1.07","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013432","15.912","0.003","12.316","0.003","16.638","0.004","90","","107.478","0.003","90","","3110.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N2 Sn -","- C8 H14 Cl4 N2 Sn -","- C64 H112 Cl32 N16 Sn8 -","8","2","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.055","0.033","","0.043","","0.04","","","1.142","","","1.231","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013433","10.099","0.0015","15.772","0.002","12.51","0.0019","90","","104.719","0.003","90","","1927.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl4 N2 Sn -","- C14 H22 Cl4 N2 Sn -","- C56 H88 Cl16 N8 Sn4 -","4","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.026","0.021","","0.031","","0.03","","","1.084","","","1.104","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013434","15.355","0.001","7.381","0.0006","18.083","0.002","90","","104.977","0.002","90","","1979.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl4 N2 Sn -","- C16 H14 Cl4 N2 Sn -","- C64 H56 Cl16 N8 Sn4 -","4","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.036","0.027","","0.037","","0.034","","","0.976","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013435","17.966","0.001","10.089","0.001","10.055","0.001","90","","104.97","0.01","90","","1760.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pyrazolo[3,4-d]pyrimidine","4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine","","- C17 H20 N4 O S2 -","- C17 H20 N4 O S2 -","- C68 H80 N16 O4 S8 -","4","1","FG1701","Avasthi, Kamlakar; Bal, Chandralata; Sharon, Ashoke.; Maulik, Prakas R.","4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section C","2003","59","9","o494","o495","10.1107/S0108270103015324","","","0.71073","MoKα","","0.0797","0.0411","","","0.0857","0.1045","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013436","22.454","0.01","13.341","0.006","27.271","0.013","90","","113.701","0.014","90","","7480","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di-μ-pivalamidato-bis[(1,10-phenanthroline)platinum(II)] dinitrate dihydrate","","- C34 H40 N8 O10 Pt2 -","- C34 H36 N8 O10 Pt2 -","- C272 H288 N64 O80 Pt16 -","8","1","FG1705","Sakai, Ken; Kurashima, Mai; Akiyama, Norinobu; Satoh, Naoki; Kajiwara, Takashi; Ito, Tasuku","A head-to-head isomer of di-μ-pivalamidato-κ^4^<i>N</i>,<i>O</i>-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II)] dinitrate dihydrate","Acta Crystallographica Section C","2003","59","9","m345","m349","10.1107/S0108270103015920","","","0.71073","MoKα","","0.1416","0.0671","","","0.1039","0.1219","","","","","","0.8","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013437","9.931","0.002","9.178","0.0018","15.97","0.003","90","","96.71","0.03","90","","1445.6","0.5","298.4","0.2","298.4","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel(II) 2,2'-bipryidine-3,3'-dicarboxylate tetrahydrate","catena-Poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'- dicarboxylato-κ^3^N,N':O)] monohydrate]","","- C12 H14 N2 Ni O8 -","- C12 H14 N2 Ni O8 -","- C48 H56 N8 Ni4 O32 -","4","1","FR1420","Zhang, Hong-Tao; Shao, Ting; Wang, Hua-Qin; You, Xiao-Zeng","A single-strand helical coordination polymer: <i>catena</i>-poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section C","2003","59","7","m259","m261","10.1107/S0108270103010163","","","0.71073","MoKα","","0.073","0.0371","","","0.0782","0.0895","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013438","14.158","0.003","15.486","0.003","17.548","0.003","90","","90","","90","","3847.4","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tetrahydrofuran)potassium Mer-[tris(carbazolyl)-trans-dichloro- (tetrahydrofurano)zirconate].","","- C44 H40 Cl2 K N3 O2 Zr -","- C44 H40 Cl2 K N3 O2 Zr -","- C176 H160 Cl8 K4 N12 O8 Zr4 -","4","1","FR1422","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","(Tetrahydrofuran)potassium <i>mer</i>-<i>trans</i>-tris(carbazolyl)dichloro(tetrahydrofuran)zirconate","Acta Crystallographica Section C","2003","59","7","m275","m276","10.1107/S0108270103010321","","","0.71073","MoKα","","0.033","0.0283","","","0.0744","0.0779","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013439","9.688","0.004","9.72","0.004","9.831","0.004","68.64","0.03","62.33","0.03","71.74","0.03","751.8","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu N4 O6 S2 -","- C10 H12 Cu N4 O6 S2 -","- C20 H24 Cu2 N8 O12 S4 -","2","1","FR1428","Zhi-Yong Wu; Duan-Jun Xu; Yue Luo; Jing-Yun Wu; Michael Y. Chiang","(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) monohydrate","Acta Crystallographica Section C","2003","59","8","m307","m309","10.1107/S0108270103013581","","","0.71073","MoKα","","0.059","0.032","","","0.083","0.093","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013440","10.7189","0.0005","12.2191","0.0005","16.4816","0.0007","90","","102.795","0.002","90","","2105.08","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Potassium 18-crown-6 dicyanoargentate(I)","Potassium 1,4,7,10,13,16-hexaoxacyclooctadecane dicyanoargentate(I)","","- C14 H24 Ag K N2 O6 -","- C14 H24 Ag K N2 O6 -","- C56 H96 Ag4 K4 N8 O24 -","4","1","FR1429","Schlueter, John A.; Geiser, Urs","Potassium dicyanoargentate(I) 1,4,7,10,13,16-hexaoxacyclooctadecane","Acta Crystallographica Section C","2003","59","8","m325","m327","10.1107/S0108270103014318","","","0.71073","MoKα","","0.0665","0.0255","","","0.0661","0.0857","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013441","5.7339","0.0007","14.8229","0.0015","23.469","0.002","90","","90","","90","","1994.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methyl-4(4-bromophenyl)-thiazole","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","2","GA1014","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha","4-(4-Bromophenyl)-2-methyl-1,3-thiazole","Acta Crystallographica Section C","2003","59","7","o360","o362","10.1107/S0108270103009740","","","0.71073","MoKα","","0.1583","0.0649","","","0.1269","0.1664","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013442","10.252","0.001","12.131","0.0007","14.2226","0.0008","90","","109.15","0.005","90","","1670.9","0.2","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cu2 N4 O12 -","- C32 H40 Cu2 N4 O12 -","- C64 H80 Cu4 N8 O24 -","2","0.5","GA1016","Gupta, Akhilesh Kumar; Kim, Jinkwon","Bis{μ-[6-(hydroxymethyl)-2-pyridyl]methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}bis{[2,6-bis(hydroxymethyl)pyridine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} diacetate","Acta Crystallographica Section C","2003","59","7","m262","m264","10.1107/S0108270103009326","","","0.71073","MoKα","","0.0485","0.0328","","","0.084","0.0961","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013443","9.178","0.001","19.566","0.002","19.705","0.002","90","","98.44","0.01","90","","3500.2","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Cis-{[1,4-(diphenylphosphine-P,P')butane] [μ-(tetrathiotungstate-S,S')]}Pd(II)0.5N,N'-dimethylformamide 0.5hydrate","","- C29.5 H32.5 N0.5 O P2 Pd S4 W -","- C29.5 H32.5 N0.5 O P2 Pd S4 W -","- C118 H130 N2 O4 P8 Pd4 S16 W4 -","4","1","GA1018","Liang, Kai; Li, Yi-Zhi; Zheng, He-Gen; Xin, Xin-Quan","<i>cis</i>-[1,4-Bis(diphenylphosphino)butane](μ-tetrathiotungstato)palladium(II) <i>N</i>,<i>N</i>'-dimethylformamide hemisolvate hemihydrate","Acta Crystallographica Section C","2003","59","8","m310","m312","10.1107/S0108270103013507","","","0.71073","MoKα","","0.0635","0.0377","","","0.1018","0.1084","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013444","9.7411","0.0008","9.7411","0.0008","17.108","0.002","90","","90","","90","","1623.4","0.3","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","bis(2,6-bis(Benzimidazol-2-yl)pyridine)-zinc(ii)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C76 H48 N20 Zn2 -","2","0.25","GA1020","Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2003","59","7","m283","m285","10.1107/S0108270103011752","","","0.71073","MoKα","","0.1159","0.0376","","","0.0688","0.078","","","","","","0.862","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013445","10.4","0.002","12.81","0.003","16","0.003","90","","90","","90","","2131.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,3S)-1-monoamidocamphoric acid","(1S,3R)-3-Carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","GA1021","Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi","(1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid","Acta Crystallographica Section C","2003","59","8","o479","o480","10.1107/S0108270103013349","","","0.71073","MoKα","","0.0891","0.0461","","","0.0862","0.0957","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013446","7.0626","0.0011","17.355","0.003","13.674","0.002","90","","95.958","0.004","90","","1667","0.5","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,8-dimethoxy-2,3-bis(2-pyridyl)quinoxaline","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","GA1023","Xiao-Jun Zhao; Miao Du","5,8-Dimethoxy-2,3-bis(2-pyridyl)quinoxaline","Acta Crystallographica Section C","2003","59","9","o496","o498","10.1107/S0108270103015750","","","0.71073","MoKα","","0.0586","0.0383","","","0.0964","0.1075","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013447","26.77","0.008","4.02","0.001","16.344","0.005","90","","114.077","0.005","90","","1605.8","0.8","203","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","7-Bromo-8-hydroxyquinoline","7-Bromo-8-hydroxyquinoline","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C72 H48 Br8 N8 O8 -","8","1","GA1024","Collis, Gavin E.; Burrell, Anthony K.; John, Kevin D.; Plieger, Paul G.","7-Bromoquinolin-8-ol","Acta Crystallographica Section C","2003","59","8","o443","o444","10.1107/S0108270103013714","","","0.71073","MoKα","","0.0576","0.0492","","","0.122","0.127","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013448","13.6532","0.0003","13.6532","0.0003","52.696","0.002","90","","90","","90","","9823.1","0.5","120","1","120","1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H52 Cd4 Fe3 N27 -","- C34 H52 Cd4 Fe3 N27 -","- C272 H416 Cd32 Fe24 N216 -","8","0.25","GD1248","Miroslava Maľarová; Juraj Kuchár; Juraj Černák; Werner Massa","The three-dimensional coordination polymer tetraethylammonium (ethylenediamine)cadmium(II) hexacyanoferrate(III), (Et~4~N){[Cd(en)]~4~[Fe(CN)~6~]~3~}","Acta Crystallographica Section C","2003","59","7","m280","m282","10.1107/S0108270103010497","","","0.71073","MoKα","","0.027","0.0232","","","0.0622","0.0635","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013449","11.5053","0.0002","18.5095","0.0003","7.1941","0.0001","90","","106.933","0.001","90","","1465.62","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Ferrocenylisochromane","1-Ferrocenylisochroman","","- C19 H18 Fe O -","- C19 H18 Fe O -","- C76 H72 Fe4 O4 -","4","1","GD1251","Cetina, Mario; Đaković, Senka; Rapić, Vladimir; Golobič, Amalija","Ferrocene compounds. XXXIX. 1-Ferrocenylisochromane","Acta Crystallographica Section C","2003","59","8","m328","m330","10.1107/S0108270103011703","","","0.71073","MoKα","","0.0453","0.03","","","0.0698","0.076","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013450","12.264","0.0004","14.4674","0.0004","15.1532","0.0005","82.108","0.001","89.206","0.001","66.264","0.001","2435.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","gossypol‒cyclododecanone (1/2)","1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'- binaphthalene-8,8'-dicarboxaldehyde‒cyclododecanone (1/2)","","- C54 H74 O10 -","- C54 H74 O10 -","- C108 H148 O20 -","2","1","GD1253","Michael K. Dowd; Edwin D. Stevens","The gossypol‒cyclododecanone (1<b>/</b>2) inclusion complex","Acta Crystallographica Section C","2003","59","7","o397","o399","10.1107/S0108270103011089","","","0.71073","MoKα","","0.0781","0.0547","","","0.1492","0.1626","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013451","9.1517","0.0009","5.7886","0.0006","7.4034","0.0008","90","","90","","90","","392.2","0.07","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0479","0.0448","","","0.1148","0.1169","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013452","9.2343","0.0015","5.8178","0.0009","7.4606","0.0012","90","","90","","90","","400.81","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","hydronium perchlorate","","- Cl H3 O5 -","- Cl O5 -","- Cl4 O20 -","4","0.5","GD1256","Azhar A. Rahman; Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","Redetermination of hydronium perchlorate at 193 and 293K","Acta Crystallographica Section C","2003","59","9","i92","i94","10.1107/S0108270103010461","","","0.71073","MoKα","","0.0518","0.0467","","","0.1261","0.13","","","","","","1.161","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013453","7.72","0.0015","15.62","0.003","7.81","0.0016","90","","113.95","0.03","90","","860.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diaaqua-pyridine-2,3-dicarboxylate cobalt (II)","catena- [diaqua(pyridine-2,3-dicarboxylato-κ^4^N:O,O',O')cobalt(II)]","","- C7 H7 Co N O6 -","- C7 H7 Co N O6 -","- C28 H28 Co4 N4 O24 -","4","1","GD1261","Zhang, Hong-Tao; Xiao-Zeng You","A one-dimensional zigzag coordination polymer of diaqua(pyridine-2,3-dicarboxylato)cobalt(II)","Acta Crystallographica Section C","2003","59","8","m313","m314","10.1107/S0108270103012551","","","0.71073","MoKα","","0.0368","0.0227","","","0.057","0.0619","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013454","7.8435","0.0001","9.7218","0.0002","39.5921","0.0009","90","","90","","90","","3019.01","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine di-(naphthalene-1-carboxylate)","","","- C39 H31 N O5 -","- C39 H31 N O5 -","- C156 H124 N4 O20 -","4","1","GD1262","Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D.","Inter- and intramolecular C—H···π interactions in morphine bis(1-naphthoate)","Acta Crystallographica Section C","2003","59","9","o485","o487","10.1107/S0108270103015622","","","0.71073","MoKα","","0.1157","0.0506","","","0.0895","0.1117","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013455","6.941","0.003","7.277","0.003","26.418","0.01","90","","90","","90","","1334.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71069","MoKα","","0.0386","0.0321","","","0.0806","0.0821","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013456","12.027","0.013","10.706","0.014","31.76","0.03","90","","102.11","0.08","90","","3998","8","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","3-phenylanthranil","3-Phenyl-2,1-benzoxazole","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","2","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71073","MoKα","","0.1526","0.0535","","","0.0909","0.1234","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013457","21.627","0.004","3.804","0.001","11.605","0.002","90","","90","","90","","954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(3-pyridyl)-1,3,8-triazanaphthalene","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","GD1264","Jan Janczak; Ryszard Kubiak","2-(3-Pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine","Acta Crystallographica Section C","2003","59","9","o506","o508","10.1107/S0108270103015701","","","0.71073","MoKα","","0.0945","0.0505","","","0.0681","0.075","","","","","","0.991","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013458","6.8603","0.001","11.248","0.002","12.804","0.003","90","","100.29","0.013","90","","972.1","0.3","146","2","146","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ferricenyltrifluoroborate","","- C10 H9 B F3 Fe -","- C10 H9 B F3 Fe -","- C40 H36 B4 F12 Fe4 -","4","1","GD1265","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","The twinned structure of ferricenyltrifluoroborate","Acta Crystallographica Section C","2003","59","9","m355","m357","10.1107/S0108270103016895","","","0.71073","MoKα","","0.0872","0.0663","","","0.1189","0.1273","","","","","","1.296","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013459","6.341","0.002","8.6092","0.001","13.083","0.002","76.011","0.01","84.03","0.02","78.26","0.02","677.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C26 H26 Cl2 N8 O4 -","2","1","GG1165","Çoruh, Ufuk; Kahveci, Bahittin; Şaşmaz, Selami; Ag̃ar, Erbil; Youngme Kim; Erdönmez, Ahmet","C—H···O and C—H···π interactions in 1-acetyl-4-(<i>p</i>-chlorobenzylideneamino)-3-ethyl-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section C","2003","59","8","o476","o478","10.1107/S010827010301326X","","","0.71073","MoKα","","0.0905","0.0487","","","0.1332","0.1442","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013460","10.942","0.004","11.63","0.004","12.906","0.004","104.615","0.006","93.419","0.006","93.292","0.006","1581.9","0.9","293","2","","","","","","","","","","4","P -1","-P 1","2","","2,3-Bis(2-pyridyl)-5-nitroquinoxaline","","- C18 H11 N5 O2 -","- C18 H11 N5 O2 -","- C72 H44 N20 O8 -","4","2","GG1166","Miao Du; Xiao-Jun Zhao","5-Nitro-2,3-bis(2-pyridyl)quinoxaline","Acta Crystallographica Section C","2003","59","7","o403","o405","10.1107/S0108270103012022","","","0.71073","MoKα","","0.099","0.046","","","0.0935","0.1083","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013461","7.4986","0.0001","13.0997","0.0002","29.5866","0.0006","90","","90","","90","","2906.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl- 5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88(hydrate)","","- C18 H30.76 K N10 O16.88 -","- C18 H30.532 K N10 O16.883 -","- C72 H122.128 K4 N40 O67.532 -","4","1","GG1168","Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N.","Potassium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartate <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer","Acta Crystallographica Section C","2003","59","8","m315","m318","10.1107/S0108270103013106","","","0.71073","MoKα","","0.0726","0.0518","","","0.1036","0.1144","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013462","10.7611","0.0004","8.0306","0.0003","34.9826","0.0017","90","","98.574","0.0015","90","","2989.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","2","GG1169","Quesada, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","2-Benzylamino-6-benzyloxypyrimidin-4(3<i>H</i>)-one: hydrogen-bonded chains of rings linked into sheets by a π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","7","o400","o402","10.1107/S0108270103011132","","","0.71073","MoKα","","0.106","0.0615","","","0.1268","0.1463","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013463","11.3625","0.0002","9.5848","0.0002","8.0433","0.0002","102.241","0.0008","94.2412","0.0011","97.7735","0.0011","843.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]diaquazinc(II) dihydrate","","- C10 H18 N8 O10 Zn -","- C10 H18 N8 O10 Zn -","- C20 H36 N16 O20 Zn2 -","2","1","GG1171","López Garzón, Rafael; Godino Salido, M. Luz; Low, John N.; Glidewell, Christopher","Bis[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato]diaquazinc(II) dihydrate, redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2003","59","7","m291","m293","10.1107/S0108270103011168","","","0.71073","MoKα","","0.0332","0.0276","","","0.0822","0.1016","","","","","","1.212","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013464","9.7139","0.0002","9.5846","0.0002","12.6431","0.0002","90","","103.447","0.0013","90","","1144.85","0.04","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 1","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0431","0.0348","","","0.0867","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013465","11.4629","0.0002","10.2603","0.0002","20.9303","0.0004","90","","107.092","0.0014","90","","2352.95","0.08","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 2 'C12 H13 N3 O S'","","- C24 H25.95 N6.05 O2.05 S2 -","- C24 H25.95 N6.05 O2.05 S2 -","- C96 H103.8 N24.2 O8.2 S8 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0608","0.0465","","","0.1116","0.1193","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013466","10.5035","0.0003","10.8741","0.0003","11.8261","0.0004","109.651","0.0013","96.4203","0.0014","93.7181","0.0014","1256.49","0.07","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","4-Amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1H)-one","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C48 H48 N16 O8 S4 -","4","2","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0609","0.0437","","","0.0986","0.1071","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013467","15.747","0.002","5.1044","0.0007","15.501","0.003","90","","105.286","0.005","90","","1201.9","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","GG1172","Glidewell, Christopher; Low, John N.; Marchal, Antonio; Quesada, Antonio","Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: two <i>P</i>2~1~/<i>c</i> polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one with <i>Z</i>'=1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1<i>H</i>)-one all give different hydrogen-bonded supramolecular structures","Acta Crystallographica Section C","2003","59","8","o454","o460","10.1107/S0108270103013465","","","0.71073","MoKα","","0.0926","0.0768","","","0.1481","0.1545","","","","","","1.217","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013468","5.4199","0.0001","5.5479","0.0001","7.7147","0.0002","90","","90.092","0.002","90","","231.972","0.008","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca2 Mg O6 W -","- Ca2 Mg O6 W -","- Ca4 Mg2 O12 W2 -","2","0.5","","Yang, Jae Ho; Choo, Woong Kil; Lee, Chang Hee","Ca~2~MgWO~6~ from neutron and X-ray powder data","Acta Crystallographica, Section C","2003","59","","i86","i88","10.1107/S0108270103011934","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013470","13.319","0.003","4.0359","0.0008","10.105","0.002","90","","91.27","0.03","90","","543.1","0.2","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","manganese antimony diselenide iodide","manganese antimony diselenide iodide","","- I Mn Sb Se2 -","- I Mn Sb Se2 -","- I4 Mn4 Sb4 Se8 -","4","0.5","IZ1033","Tougait, Olivier; Ibers, James A.; Mar, Arthur","Manganese antimony diselenide iodide, MnSbSe~2~I","Acta Crystallographica Section C","2003","59","8","i77","i78","10.1107/S0108270103014082","","","0.71073","MoKα","","0.0275","0.0264","","","0.07","0.0705","","","","","","1.373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013471","12.002","0.0004","14.563","0.0009","18.526","0.002","90","","92.882","0.005","90","","3234","0.4","122","1","122","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","mer-trichloronitridobis(triphenylarsine)ruthenium(VI)","mer-trichloronitridobis(triphenylarsine)ruthenium(VI)","","- C36 H30 As2 Cl3 N Ru -","- C36 H30 As2 Cl3 N Ru -","- C144 H120 As8 Cl12 N4 Ru4 -","4","0.5","JZ1564","Magnus Magnussen; Jesper Bendix","The <i>trans</i> influence in <i>mer</i>-trichloronitridobis(triphenylarsine)ruthenium(VI)","Acta Crystallographica Section C","2003","59","9","m342","m344","10.1107/S0108270103015014","","","0.71073","MoKα","","0.028","0.0216","","","0.049","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013472","11.138","0.002","13.57","0.003","14.57","0.003","90","","90","","90","","2202.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-dibromo-2-hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C80 H80 Br16 O16 -","8","1","JZ1565","Steyl, Gideon; Roodt, Andreas","3,7-Dibromohinokitiol: a redetermination","Acta Crystallographica Section C","2003","59","9","o525","o527","10.1107/S0108270103016548","","","0.71073","MoKα","","0.07","0.037","","","0.093","0.106","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013473","26.483","0.005","34.102","0.007","10.483","0.002","90","","90","","90","","9467","3","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","1,1,1-tris(4-hydroxyphenyl)methane‒bipyridine (1/1)","4,4',4''-methanetriyltriphenol‒bipyridine (1/1)","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C464 H384 N32 O48 -","16","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0516","0.0428","","","0.0912","0.0948","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013474","12.326","0.003","18.573","0.004","7.4961","0.0015","90","","114.36","0.03","90","","1563.3","0.7","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","tris(4-hydroxyphenyl)methane","4,4',4''-methanetriyltriphenol","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0442","0.0387","","","0.097","0.1007","","","","","","1.215","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013475","10.8449","0.001","7.3649","0.0009","11.1537","0.0017","90","","90.182","0.008","90","","890.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-Bromo-1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-4H- pyrazolo[3,4-d]pyrimidin-4-one","","- C13 H19 Br F N5 O6 -","- C13 H19 Br F N5 O6 -","- C26 H38 Br2 F2 N10 O12 -","2","1","LN1167","He, Junlin; Eickmeier, Henning; Seela, Frank","6-Amino-3-bromo-1-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-1,5-dihydro-4<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4-one‒acetone‒water (1/1/1): a fluorinated 2'-deoxyguanosine analogue with the sugar conformation of a ribonucleoside","Acta Crystallographica Section C","2003","59","7","o406","o408","10.1107/S0108270103011430","","","0.71073","MoKα","","0.0458","0.0417","","","0.1166","0.1242","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013476","3.8798","0.0003","8.9183","0.0006","12.6224","0.0011","69.426","0.003","83.093","0.004","79.189","0.004","400.93","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,7-dimethoxyimidazo[1,2-c]pyrimidine","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C16 H18 N6 O4 -","2","1","LN1168","Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson","The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-<i>c</i>]pyrimidine and 7-methoxy-1-methylimidazo[1,2-<i>a</i>]pyrimidin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2003","59","7","o363","o366","10.1107/S0108270103010266","","","0.71073","MoKα","","0.0891","0.0525","","","0.1188","0.1336","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013477","8.5917","0.0006","6.7484","0.0005","14.3054","0.0014","90","","91.648","0.003","90","","829.09","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-methoxy-1-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","LN1168","Bueno, Jesus; Melguizo, Manuel; Quijano, M. Luisa; Low, John Nicolson","The molecular and supramolecular structures of the isomeric compounds 5,7-dimethoxyimidazo[1,2-<i>c</i>]pyrimidine and 7-methoxy-1-methylimidazo[1,2-<i>a</i>]pyrimidin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2003","59","7","o363","o366","10.1107/S0108270103010266","","","0.71073","MoKα","","0.1351","0.0519","","","0.0999","0.1219","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013478","8.9402","0.0002","17.2777","0.0005","11.3437","0.0004","90","","90","","90","","1752.22","0.09","100","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 S2 -","- C18 H15 N O4 S2 -","- C72 H60 N4 O16 S8 -","4","1","LN1169","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide","Acta Crystallographica Section C","2003","59","7","o376","o377","10.1107/S0108270103010655","","","0.71073","MoKα","","","0.0556","","","","0.1162","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013479","10.342","0.004","13.328","0.007","11.956","0.009","90","","90","","90","","1648","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-B","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.112","0.0741","","","0.1783","0.2075","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013480","7.5278","0.0016","12.418","0.003","18.037","0.004","90","","90","","90","","1686.1","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-C","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.038","0.0326","","","0.0994","0.1033","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013481","13.3375","0.0005","8.9992","0.0003","15.5637","0.0004","90","","90","","90","","1868.06","0.11","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(2,6-dioxo-1,4,7,11,14-pentaazacycloheptadecanato)copper(II) tetrahydrate","","- C12 H31 Cu N5 O6 -","- C12 H31 Cu N5 O6 -","- C48 H124 Cu4 N20 O24 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0406","0.0401","","","0.1031","0.1038","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013482","12.098","0.009","20.337","0.014","8.134","0.005","90","","103.68","0.05","90","","1944","2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(3,16-dioxo-1-oxa-4,8,11,15-tetraazacycloheptadecanato)copper(II) pentahydrate","","- C12 H32 Cu N4 O8 -","- C12 H32 Cu N4 O8 -","- C48 H128 Cu4 N16 O32 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","0.71073","MoKα","","0.0652","0.0428","","","0.0942","0.1011","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013483","7.4905","0.0006","16.116","0.0009","7.6404","0.0004","90","","107.553","0.005","90","","879.38","0.1","293","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(3,16-dioxo-1-thia-4,8,11,15-tetraazacycloheptadecanato)copper(II) trihydrate","","- C12 H28 Cu N4 O5 S -","- C12 H28 Cu N4 O5 S -","- C24 H56 Cu2 N8 O10 S2 -","2","0.5","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0502","0.047","","","0.1297","0.1328","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013484","7.5846","0.0003","22.4477","0.001","7.5989","0.0003","90","","106.306","0.001","90","","1241.72","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-dimethylamino-N-(4-methylphenyl) acrylamide","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","NA1594","M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun","Supramolecular structures of 2-cyano-3-dimethylamino-<i>N</i>-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-<i>N</i>-(2-methoxyphenyl)acrylamide","Acta Crystallographica Section C","2003","59","7","o394","o396","10.1107/S0108270103009764","","","0.71073","MoKα","","0.0779","0.057","","","0.1523","0.1691","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013485","7.5141","0.0003","12.758","0.0006","13.9381","0.0006","90","","92.795","0.001","90","","1334.58","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-3-dimethylamino-N-(2-methoxyphenyl) acrylamide","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","NA1594","M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun","Supramolecular structures of 2-cyano-3-dimethylamino-<i>N</i>-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-<i>N</i>-(2-methoxyphenyl)acrylamide","Acta Crystallographica Section C","2003","59","7","o394","o396","10.1107/S0108270103009764","","","0.71073","MoKα","","0.0639","0.0479","","","0.1402","0.1516","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013486","7.085","0.003","12.064","0.005","19.583","0.005","90","","91.54","0.03","90","","1673.2","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2R,2''S,3'bS,4'aR,7'bS,8'aR)-perhydrodispiro[furan-2,3'- dicyclopenta[a,e]pentalene-7',2''-furan]-5,5''-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","NA1610","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha","Precursors to dodecahedrane","Acta Crystallographica Section C","2003","59","7","o373","o375","10.1107/S0108270103010825","","","1.5418","CuKα","","0.1159","0.0512","","","0.1192","0.143","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013487","9.415","0.008","10.739","0.002","15.332","0.003","90","","92.58","0.04","90","","1548.6","1.4","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(3aR,3bR,4aR,4bS,5aS,8aR,8bR,9aR,9bS,10aS)- perhydrodipentaleno[2,1-a:2',1'-e]pentalene-1,6-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","0.5","NA1610","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha","Precursors to dodecahedrane","Acta Crystallographica Section C","2003","59","7","o373","o375","10.1107/S0108270103010825","","","1.5418","CuKα","","0.0524","0.0404","","","0.0979","0.1086","","","","","","1.055","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013488","26.3","0.004","9.469","0.002","17.44","0.002","90","","117.69","0.01","90","","3845.8","1.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(4-Dimethylamino-benzylidene)-(3,5-bis(2-Pyridyl)-1,2,4-triazol-4-yl)amine","","- C21 H19 N7 -","- C21 H19 N7 -","- C168 H152 N56 -","8","1","NA1615","Bruno, Giuseppe; Nicoló, Francesco; Puntoriero, Fausto; Giuffrida, Gaetano; Ricevuto, Vittorio; Rosace, Giuseppe","4-[4-(Dimethylamino)benzylideneamino]-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2003","59","7","o390","o391","10.1107/S0108270103011697","","","0.71073","MoKα","","0.0612","0.0323","","","0.0713","0.0761","","","","","","0.793","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013489","9.3815","0.0008","9.4096","0.0008","15.1968","0.0013","72.124","0.002","83.169","0.002","67.423","0.002","1178.91","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 N6 Ni O5 S2 -","- C22 H22 N6 Ni O5 S2 -","- C44 H44 N12 Ni2 O10 S4 -","2","1","OB1117","Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","[2,6-Bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>](dimethylformamide-κ<i>O</i>)(thiosulfato-κ^2^<i>O</i>,<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","2003","59","8","m299","m301","10.1107/S0108270103008667","","","0.71073","MoKα","","0.0549","0.0389","","","0.0822","0.109","","","","","","0.87","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013490","15.355","0.004","8.321","0.002","8.264","0.002","90","","92.12","0.01","90","","1055.2","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-[N,N-bis(2-cyanoethyl)amino]pyridine","3,3'-(4-pyridylimino)dipropanenitrile","","- C11 H12 N4 -","- C11 H12 N4 -","- C44 H48 N16 -","4","0.5","OB1120","Ni Jun; Li, Yi-Zhi; Qi, Wen-Bin; Liu, Yong-Jiang; Chen, Hui-Lan; Wang, Zhi-Lin","4-[<i>N,N</i>-Bis(2-cyanoethyl)amino]pyridine","Acta Crystallographica Section C","2003","59","8","o470","o472","10.1107/S0108270103012630","","","0.71073","MoKα","","0.0473","0.044","","","0.0925","0.0937","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013491","5.9425","0.0018","12.436","0.002","14.999","0.002","90","","90","","90","","1108.4","0.4","298","2","298","2","","","","","","","","3","P b c m","-P 2c 2b","57","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C40 H48 O32 -","4","0.5","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.047","0.0407","","","0.1087","0.113","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013492","13.591","0.002","9.306","0.002","7.711","0.003","90","","90","","90","","975.3","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic dianhydride","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.0433","0.0385","","","0.1052","0.1095","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013493","25.248","0.002","7.1136","0.0007","13.1993","0.0009","90","","90","","90","","2370.6","0.3","293","1","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H20 Fe N6 O22 -","- C12 H20 Fe N6 O22 -","- C48 H80 Fe4 N24 O88 -","4","0.5","OB1127","Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara","Hexaaquairon(II) dipicrate dihydrate","Acta Crystallographica Section C","2003","59","8","m319","m321","10.1107/S0108270103013301","","","0.7107","MoKα","","","0.0332","","","","0.0746","","","","","","1.272","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013494","11.733","0.002","12.212","0.003","11.501","0.003","103.79","0.02","96.89","0.02","70.82","0.01","1510","0.6","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium 2,2,6,6-Tetramethylpiperidinyloxy-4-hydroxy-4-sulfonate","","- C33 H37 N O5 P S -","- C33 H37 N O5 P S -","- C66 H74 N2 O10 P2 S2 -","2","1","OB1128","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Tetraphenylphosphonium 4-hydroxy-2,2,6,6-tetramethylpiperidinyloxy-4-sulfonate","Acta Crystallographica Section C","2003","59","8","o433","o434","10.1107/S0108270103012824","","","0.7107","MoKα","","0.099","0.0583","","0.056","","0.0512","","","","","","1.1898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013495","13.283","0.002","14.153","0.002","13.452","0.002","90","","105.252","0.002","90","","2439.8","0.6","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","ChaASC","Ascidiacyclamide analogue (Ile1 was replaced with Cha) cyclo(-Cha-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz-) Cha=cyclohexylalanine from dimethylacetamide solution","","- C43 H69 N9 O9 S2 -","- C43 H69 N9 O9 S2 -","- C86 H138 N18 O18 S4 -","2","1","OB1130","Akiko Asano; Takeshi Yamada; Atsushi Numata; Mitsunobu Doi","cyclo(-Cha‒Oxz‒<small>D</small>-Val‒Thz‒Ile‒Oxz‒<small>D</small>-Val‒Thz-) <i>N,N</i>-dimethylacetamide dihydrate: a square form of cyclohexylalanine-incorporated ascidiacyclamide having the strongest cytotoxicity","Acta Crystallographica Section C","2003","59","9","o488","o490","10.1107/S0108270103014495","","","0.71073","MoKα","","0.0568","0.0506","","","0.1316","0.1371","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013496","10.98","0.002","16.575","0.003","11.64","0.002","90","","95.51","0.01","90","","2108.6","0.7","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H51 Cd N11 O18 -","- C34 H51 Cd N11 O18 -","- C68 H102 Cd2 N22 O36 -","2","1","OB1131","Smith, Christopher B.; Lincoln, Stephen F.; Taylor, Max R.; Wainwright, Kevin P.","Λ-{1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) bis(2,4,6-trinitrophenolate) acetonitrile solvate","Acta Crystallographica Section C","2003","59","9","m358","m360","10.1107/S0108270103016007","","","0.71073","MoKα","","0.024","0.023","","0.057","","0.057","","","1.234","","","1.236","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013497","21.6815","0.0003","8.6127","0.0001","19.7231","0.0002","90","","101.626","0.0005","90","","3607.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(o-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde","N-(2-chlorphenyl)-2,5-dimethylpyrrole-3-carbaldehyde","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C156 H144 Cl12 N12 O12 -","12","3","SK1632","Jukić, Marijana; Cetina, Mario; Vorkapić-Furač, Jasna; Golobič, Amalija; Nagl, Ante","<i>N</i>-(<i>o</i>-Chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde","Acta Crystallographica Section C","2003","59","7","o357","o359","10.1107/S0108270103009272","","","0.71073","MoKα","","0.0873","0.0555","","","0.1391","0.1586","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013498","6.1283","0.0003","17.2964","0.0007","22.4659","0.0006","90","","90","","90","","2381.33","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-{2-[(2R,4R)-4-hydroxy-6-oxo-3,4,5,6- tetrahydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydronaphthalin-1-yl 2,2-dimethylbutanoate","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","SK1633","Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr","Simvastatin","Acta Crystallographica Section C","2003","59","8","o428","o430","10.1107/S0108270103012514","","","0.71073","MoKα","","0.0804","0.0715","","0.09","0.0844","0.0844","","","","","","1.1183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013499","11.392","0.002","13.97","0.0018","9.2771","0.0013","97.705","0.011","109.95","0.012","109.492","0.011","1256","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0495","","","","0.1542","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013500","19.23","0.002","8.0506","0.001","8.4461","0.0011","90","","98.802","0.01","90","","1292.2","0.3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","0.5","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0543","","","","0.1945","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013501","7.5558","0.0002","13.4054","0.0001","20.0304","0.0003","90","","90","","90","","2028.85","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","SK1640","Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher","6,6'-Dimethoxy-2,2'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework","Acta Crystallographica Section C","2003","59","7","o367","o369","10.1107/S0108270103010205","","","0.71073","MoKα","","0.0387","0.0352","","","0.082","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013502","9.9496","0.0008","36.295","0.003","7.0643","0.0006","90","","90","","90","","2551.1","0.4","150","1","150","1","","","","","","","","5","F m m 2","F 2 -2","42","","Hexamethylenetetramine‒ferrocenecarboxylic acid (1/2)","","- C28 H32 Fe2 N4 O4 -","- C28 H32 Fe2 N4 O4 -","- C112 H128 Fe8 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.054","0.0442","","","0.0948","0.0994","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013503","10.0096","0.0004","7.1396","0.0002","24.2841","0.0008","90","","90","","90","","1735.45","0.1","150","1","150","1","","","","","","","","5","C m c m","-C 2c 2","63","","Hexamethylenetetramine‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C18 H22 Fe N4 O4 -","- C18 H22 Fe N4 O4 -","- C72 H88 Fe4 N16 O16 -","4","0.25","SK1641","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups <i>Fmm</i>2 and <i>Cmcm</i>","Acta Crystallographica Section C","2003","59","7","m271","m274","10.1107/S010827010301031X","","","0.71073","MoKα","","0.0454","0.0316","","","0.0663","0.0729","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013504","6.9572","0.0005","8.1499","0.0007","10.4564","0.001","99.8","0.002","101.05","0.002","99.54","0.002","561.21","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4(5H)-one","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","SK1642","Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka","2-Aminothiazole and 2-aminothiazolinone derivatives","Acta Crystallographica Section C","2003","59","9","o502","o505","10.1107/S0108270103015580","","","0.71073","MoKα","","0.0316","0.0293","","","0.0752","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013505","8.174","0.0005","22.8266","0.0012","9.03","0.0005","90","","116.444","0.001","90","","1508.57","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","2","SK1642","Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka","2-Aminothiazole and 2-aminothiazolinone derivatives","Acta Crystallographica Section C","2003","59","9","o502","o505","10.1107/S0108270103015580","","","0.71073","MoKα","","0.0646","0.0527","","","0.129","0.1389","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013506","13.0678","0.0003","8.7475","0.0002","17.6106","0.0005","90","","90.513","0.0011","90","","2013","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,8,11-Tetraazoniacyclotetradecane tetrakis-phenylphosphonate dihydrate","","- C34 H56 N4 O14 P4 -","- C34 H56 N4 O14 P4 -","- C68 H112 N8 O28 P8 -","2","0.5","SK1643","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","1,4,8,11-Tetraazoniacyclotetradecane tetrakis(phenylphosphonate) dihydrate forms hydrogen-bonded sheets","Acta Crystallographica Section C","2003","59","8","o461","o463","10.1107/S010827010301182X","","","0.71073","MoKα","","0.0415","0.0328","","","0.0802","0.0852","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013507","27.366","0.002","32.347","0.002","4.8818","0.0003","90","","90","","90","","4321.4","0.5","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1-)]","","- C17 H24 N2 O10 P2 -","- C17 H24 N2 O10 P2 -","- C136 H192 N16 O80 P16 -","8","0.5","SK1644","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1‒)]: a three-dimensional framework structure built from O—H···O, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","8","o464","o466","10.1107/S0108270103011818","","","0.71073","MoKα","","0.0715","0.0441","","","0.0905","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013508","8.501","0.004","8.369","0.004","15.403","0.006","90","","92.463","0.006","90","","1094.8","0.8","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[[bis(dicyanamido)zinc(II)]-di-μ-bis(1,2,4-triazol-1-yl)ethane- κ~4~N4:N4']","","- C16 H16 N18 Zn -","- C16 H16 N18 Zn -","- C32 H32 N36 Zn2 -","2","0.5","SK1645","Baolong Li; Baozong Li; Xia Zhu; Liming Zhu; Yong Zhang","The infinite double-stranded chain polymer <i>catena</i>-poly[[bis(dicyanamido)zinc(II)]-di-μ-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^4^<i>N</i>^4^:<i>N</i>^4'^]","Acta Crystallographica Section C","2003","59","9","m350","m351","10.1107/S0108270103012435","","","0.7107","MoKα","","0.0302","0.0275","","","0.0614","0.0627","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013509","9.8769","0.0001","24.8789","0.0003","5.7335","0.0001","90","","90","","90","","1408.87","0.03","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-naphthyloxymethylcarbonyl)piperidine","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0474","0.0352","","","0.0838","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013510","20.9438","0.0004","20.9438","0.0004","13.9169","0.0002","90","","90","","90","","6104.55","0.19","160","2","160","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","3-Methyl-N-(2-naphthyloxymethylcarbonyl)piperidine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C288 H336 N16 O32 -","16","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0361","0.031","","","0.0809","0.0845","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013511","10.5594","0.0002","9.2956","0.0002","14.1012","0.0003","90","","109.092","0.0009","90","","1307.99","0.05","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-Naphthyloxymethylcarbonyl)morpholine","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","SK1649","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o467","o469","10.1107/S0108270103013258","","","0.71073","MoKα","","0.0833","0.0509","","","0.1289","0.1475","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013512","13.756","0.0003","12.7389","0.0002","8.5031","0.0002","90","","90","","90","","1490.05","0.05","160","2","160","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(2-Naphthyloxymethylcarbonyl)-4-methylpiperazine","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","SK1649","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o467","o469","10.1107/S0108270103013258","","","0.71073","MoKα","","0.0532","0.0393","","","0.0885","0.0951","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013513","7.7235","0.0005","19.0625","0.0009","13.8907","0.0013","90","","90","","90","","2045.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teuctosin","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","SK1651","S.Soundarya Devi; R.Malathi; S.S.Rajan; S.Arvind; G.N.Krishnakumari; K.Ravikumar","A new clerodane diterpene with antifeedant activity from <i>Teucrium tomentosum</i>","Acta Crystallographica Section C","2003","59","9","o530","o532","10.1107/S0108270103017050","","","0.71073","MoKα","","0.0451","0.0407","","","0.1107","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013514","14.7434","0.0005","8.1274","0.0002","13.2487","0.0004","90","","106.712","0.0012","90","","1520.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodoanilinium 3-nitrophthalate(1-)","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C56 H44 I4 N8 O24 -","4","1","SK1653","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodoanilinium 3-nitrophthalate(1‒): tripartite sheets built from O—H···O and N—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","9","o509","o511","10.1107/S0108270103014434","","","0.71073","MoKα","","0.0405","0.0294","","","0.0633","0.0677","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013515","8.0029","0.001","5.4952","0.0005","10.928","0.0015","90","","96.84","0.005","90","","477.17","0.1","293","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminopyridinium hydrogen maleate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","SK1655","Lah, Nina; Leban, Ivan","4-Aminopyridinium hydrogen maleate","Acta Crystallographica Section C","2003","59","9","o537","o538","10.1107/S010827010301727X","","","0.71073","MoKα","","0.029","0.026","","","0.056","0.058","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013516","5.2813","0.0001","8.7367","0.0002","12.9843","0.0003","80.4656","0.0014","81.4302","0.0012","83.883","0.001","582.17","0.02","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","SK1656","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D.P.; Piplani, P.; Linden, Anthony","1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one: an antiamnesic agent","Acta Crystallographica Section C","2003","59","9","o514","o515","10.1107/S0108270103014823","","","0.71073","MoKα","","0.0558","0.0427","","","0.116","0.1262","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013517","11.825","0.011","8.195","0.008","20.097","0.011","90","","95.16","0.003","90","","1940","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[hexa(nicotinato)tricadmium(II) tetrahydrate]","","- C36 H32 Cd3 N6 O16 -","- C36 H32 Cd3 N6 O16 -","- C72 H64 Cd6 N12 O32 -","2","0.5","SK1659","Chen Hong-Ji","Polymeric hexa-μ-nicotinato-tricadmium(II) tetrahydrate","Acta Crystallographica Section C","2003","59","9","m371","m372","10.1107/S0108270103016731","","","0.71073","MoKα","","0.0531","0.0486","","","0.1309","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013518","12.897","0.001","12.897","0.001","8.0078","0.0008","90","","90","","90","","1332","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","2-Nitrimino-1-nitroimidazolidine","","- C3 H5 N5 O4 -","- C3 H5 N5 O4 -","- C24 H40 N40 O32 -","8","1","SK1660","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","2-Nitrimino-1-nitroimidazolidine","Acta Crystallographica Section C","2003","59","9","o499","o501","10.1107/S0108270103015671","","","1.5418","CuKα","","0.033","0.0285","","","0.076","0.0786","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013519","9.3994","0.001","14.4249","0.0015","14.8129","0.0015","90","","90","","90","","2008.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Rotenone α-oxime","1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)- [1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6H)-one oxime","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","SQ1014","Yang, Shi-Ping; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong","Rotenone α-oxime","Acta Crystallographica Section C","2003","59","7","o392","o393","10.1107/S010827010301117X","","","0.71073","MoKα","","0.1001","0.0643","","","0.1585","0.176","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013520","19.01","0.09","7.694","0.016","8.72","0.02","90.04","0.003","90.003","0.005","89.994","0.005","1275","7","105","2","105","2","","","","","","","","6","P 1","P 1","1","baryum nitroprusside trihydrate","","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C20 H24 Ba4 Fe4 N24 O16 -","4","4","SQ1015","G. Chevrier; J.M. Kiat; J. Guida; A. Navaza","An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction","Acta Crystallographica Section C","2003","59","7","i59","i62","10.1107/S0108270103010199","","neutron","1.548","neutron","","0.0843","0.0782","","","0.087","0.0874","","","","","","3.748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013521","11.6693","0.0015","7.979","0.0008","17.5818","0.0013","90","","90.673","0.009","90","","1636.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","SQ1018","Jianxing Zhang; Shou-Feng Chen; Kevin K. Klausmeyer; Robert R. Kane","(<i>E</i>)-1-(2-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene","Acta Crystallographica Section C","2003","59","7","o381","o382","10.1107/S0108270103010667","","","0.71073","MoKα","","0.0574","0.0502","","0.1335","","0.1281","","","1.103","","","1.159","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013522","12.502","0.0002","17.204","0.0003","21.34","0.0003","90","","93.094","0.0011","90","","4583.21","0.13","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Co^II^~3~(DADIT)~3~](Cl)(PF~6~)~2~","","","- C30 H63 Cl Co3 F12 N6 P2 S3 -","- C30 H63 Cl Co3 F12 N6 P2 S3 -","- C120 H252 Cl4 Co12 F48 N24 P8 S12 -","4","1","SQ1019","Shearer, Jason; Kaminsky, Werner; Kovacs, Julie, A.","A chloride ion contained in a cobalt `claw': [Co~3~(DADIT)~3~]Cl(PF~6~)~2~","Acta Crystallographica Section C","2003","59","9","m379","m380","10.1107/S0108270103013593","","","0.7107","MoKα","","0.0569","0.0386","","","0.0955","0.1036","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013523","10.3816","0.0003","18.6749","0.0006","14.8264","0.0004","90","","94.517","0.002","90","","2865.55","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn~3~(H~2~O)~2~(C~9~H~4~O~6~)~2~(C~10~H~8~N~2~)]","","","- C28 H18 N2 O14 Zn3 -","- C28 H18 N2 O14 Zn3 -","- C112 H72 N8 O56 Zn12 -","4","0.5","SQ1022","Shi, Zhan; Hou, Ying; Hua, Jia; Li, Guanghua; Feng, Shouhua","Polymeric diaquabis[μ~4~-1,3,5-benzenetricarboxylato(3‒)](μ-4,4'-bipyridine)trizinc(II)","Acta Crystallographica Section C","2003","59","8","m337","m338","10.1107/S0108270103014252","","","0.71073","MoKα","","0.0451","0.0281","","","0.0667","0.0684","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013524","8.4499","0.0001","9.2595","0.0002","16.2911","0.0004","90","","100.339","0.0008","90","","1253.95","0.04","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","erbium mellitate","catena-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]","","- C12 H28 Er2 O26 -","- C12 Er2 O26 -","- C24 Er4 O52 -","2","0.5","TA1398","Deluzet, André; Guillou, Olivier","<i>catena</i>-Poly[[bis[pentaaquaerbium(III)]-μ-benzenehexacarboxylato] tetrahydrate]","Acta Crystallographica Section C","2003","59","7","m277","m279","10.1107/S010827010300341X","","","0.71073","MoKα","","0.053","0.037","","","0.085","0.093","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013525","5.062","0.0002","5.223","0.0003","16.006","0.0009","90","","90","","90","","423.18","0.04","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","caesium lithium sulfate","","- Cs1.15 Li2.85 O8 S2 -","- Cs1.15 Li2.85 O8 S2 -","- Cs2.3 Li5.7 O16 S4 -","2","0.5","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0445","0.0444","","","0.1324","0.1325","","","","","","1.069","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013526","5.053","0.0002","5.199","0.0004","15.984","0.0008","90","","90.297","0.003","90","","419.9","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","caesium lithium rubidium sulfate","","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs1.8 Li5.76 O16 Rb0.44 S4 -","2","1","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0264","0.025","","","0.0673","0.0825","","","","","","1.216","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013527","7.4019","0.0011","12.762","0.003","14.2535","0.0011","90","","90","","90","","1346.4","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H4 Ho K N6 O2 Ru -","- C6 H8 Ho K N6 O4 Ru -","- C24 H32 Ho4 K4 N24 O16 Ru4 -","4","0.25","TA1406","Kautz, Jason A.; Symes, R. Cameron","Polymeric potassium diaquahexa-μ-cyano-holmium(III)ruthenium(II) dihydrate","Acta Crystallographica Section C","2003","59","9","i89","i91","10.1107/S0108270103013350","","","0.71073","MoKα","","0.0215","0.018","","","0.0401","0.041","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013528","12.264","0.003","10.111","0.002","22.65","0.005","90","","96.89","0.03","90","","2788.3","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","di-μ-fumatato-bis(o-phenanthroline)dicobalt(II)","","- C32 H20 Co2 N4 O8 -","- C32 H20 Co2 N4 O8 -","- C128 H80 Co8 N16 O32 -","4","1","TA1410","Jian-Fang Ma; Jin Yang; Jing-Fu Liu","A novel cobalt(II) coordination polymer containing the fumarate anion and <i>o</i>-phenanthroline","Acta Crystallographica Section C","2003","59","8","m304","m306","10.1107/S0108270103012101","","","0.71073","MoKα","","0.0336","0.0275","","","0.0769","0.0858","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013529","10.406","0.001","14.479","0.002","21.421","0.003","90","","90","","90","","3227.5","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al3 Br9 N6 -","- C12 H18 Al3 Br9 N6 -","- C48 H72 Al12 Br36 N24 -","4","1","TA1411","Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Pentaacetonitrilebromoaluminium(III) bis[tetrabromoaluminium(III)] acetonitrile solvate","Acta Crystallographica Section C","2003","59","7","m289","m290","10.1107/S0108270103011429","","","0.71073","MoKα","","0.058","0.029","","0.032","","0.027","","","0.966","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013530","13.774","0.002","11.233","0.002","24.595","0.004","90","","99.792","0.002","90","","3750","1.1","153","2","153","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","2","TA1412","Rozek, Tomas; Bowie, John H.; Skelton, Brian W.; White, Allan H.","11-Hydroxy-3,3-dimethyl-7,12-dioxo-3,4,6,6a,7,12,12a,12b-octahydrobenz[<i>a</i>]anthracen-1-yl acetate","Acta Crystallographica Section C","2003","59","8","o431","o432","10.1107/S0108270103013374","","","0.71073","MoKα","","0.053","0.044","","0.047","","0.046","","","1.069","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013531","9.882","0.011","10.705","0.006","41.553","0.017","90","","90","","90","","4396","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-benzhydrylamino)carbonylmethyl N-benzyloxycarbonyl-α-aminoisobutyrylprolylvalinate monohydrate","","- C43 H57 N5 O9 -","- C43 H57 N5 O9 -","- C172 H228 N20 O36 -","4","1","TR1055","Geßmann,Renate; Norbert Schiemann; Brückner,Hans; Petratos, Kyriacos","The tetrapeptide Z-Leu-Aib-Pro-Val-OBg monohydrate","Acta Crystallographica Section C","2003","59","8","o413","o415","10.1107/S0108270103010291","","","1.54178","CuKα","","0.1055","0.0613","","","0.1566","0.184","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013532","12.6929","0.0012","6.1566","0.0006","7.8385","0.0007","90","","104.419","0.002","90","","593.25","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","silver xanthate","(O-ethyl dithiocarbonato)silver(I)","","- C3 H5 Ag O S2 -","- C3 H5 Ag O S2 -","- C12 H20 Ag4 O4 S8 -","4","1","TR1062","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed","Polymeric (<i>O</i>-ethyl dithiocarbonato)silver(I)","Acta Crystallographica Section C","2003","59","7","m265","m267","10.1107/S0108270103010175","","","0.71073","MoKα","","0.0442","0.0386","","","0.0892","0.0917","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013533","15.24","0.003","11.424","0.002","7.667","0.0015","90","","96.79","0.03","90","","1325.5","0.4","298.4","0.2","298.4","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[diaquapyridinenickel(II)]- μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^]","","- C12 H12 N2 Ni O6 -","- C12 H12 N2 Ni O6 -","- C48 H48 N8 Ni4 O24 -","4","1","TR1063","Zhang, Hong-Tao; Chen, Ya-Qing; Xu, Li; You, Xiao-Zeng","A one-dimensional zigzag coordination polymer: <i>catena</i>-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^]","Acta Crystallographica Section C","2003","59","9","m373","m375","10.1107/S0108270103014422","","","0.71073","MoKα","","0.121","0.0447","","","0.0841","0.1029","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013534","8.75","0.002","18.39","0.004","30.485","0.006","90","","91.49","0.03","90","","4903.8","1.8","293","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co N9 S3 -","- C18 H24 Co N9 S3 -","- C144 H192 Co8 N72 S24 -","8","2","AV1141","Jaćimović, Željko K.; Tomić, Zoran D.; Gerald Giester; Leovac, Vukadin M","Tris(3,5-dimethyl-1<i>H</i>-pyrazole-1-thiocarboxamidato-κ^2^<i>N</i>^2^,<i>N</i>)cobalt(III)","Acta Crystallographica Section C","2003","59","10","m381","m383","10.1107/S0108270103016755","","","0.71073","MoKα","","","0.0512","","","","0.1414","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013535","8.3027","0.0017","24.083","0.005","8.5884","0.0017","90","","103.92","0.03","90","","1666.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate","","- C6 H18 Cl F6 P Pt S3 -","- C6 H18 Cl F6 P Pt S3 -","- C24 H72 Cl4 F24 P4 Pt4 S12 -","4","1","AV1144","Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke","Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)","Acta Crystallographica Section C","2003","59","11","m432","m434","10.1107/S0108270103020225","","","0.71073","MoKα","","0.0552","0.0323","","","0.0758","0.0807","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013536","8.5981","0.0004","23.9384","0.001","8.3852","0.0003","90","","104.235","0.001","90","","1672.89","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bromotris(dimethyl sulfide-κS)platinum(II) hexafluorophosphate","","- C6 H18 Br F6 P Pt S3 -","- C6 H18 Br F6 P Pt S3 -","- C24 H72 Br4 F24 P4 Pt4 S12 -","4","1","AV1144","Hansson, Christian; Kukushkin, Vadim Yu.; Lövqvist, Karin; Yong, Shen; Oskarsson, Åke","Hexafluorophosphates of chlorotris(dimethyl sulfide)platinum(II) and bromotris(dimethyl sulfide)platinum(II)","Acta Crystallographica Section C","2003","59","11","m432","m434","10.1107/S0108270103020225","","","0.71073","MoKα","","0.0909","0.0449","","","0.0866","0.0959","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013537","8.4717","0.0006","17.0289","0.001","8.5571","0.0007","90","","112.784","0.006","90","","1138.15","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dichlorobis(imidazolidin-2-one-κO)zinc(II)","Zinc(II) dichloro bis(2-imidazolidinone)","","- C6 H12 Cl2 N4 O2 Zn -","- C6 H12 Cl2 N4 O2 Zn -","- C24 H48 Cl8 N16 O8 Zn4 -","4","1","AV1145","Larry R. Falvello; Eva M. Miqueleiz; Tatiana Soler; Milagros Tomás","Dichlorobis(imidazolidin-2-one-κ<i>O</i>)zinc(II) at 150K","Acta Crystallographica Section C","2003","59","11","m442","m445","10.1107/S0108270103020195","","","0.71073","MoKα","","0.0387","0.0291","","","0.063","0.0668","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013538","13.069","0.003","25.602","0.005","22.991","0.005","90","","92.66","0.03","90","","7684","3","293","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Tris(μ~2~-chloro)-bis(tripod)-diruthenium(II) hexafluorophosphate ethanol solvate","Tri-μ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ^3^P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate","","- C84 H84 Cl3 F6 O P7 Ru2 -","- C84 H84 Cl3 F6 O P7 Ru2 -","- C336 H336 Cl12 F24 O4 P28 Ru8 -","4","1","AV1146","Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter","A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane","Acta Crystallographica Section C","2003","59","11","m439","m441","10.1107/S0108270103020432","","","0.71073","MoKα","","0.046","0.033","","","0.055","0.057","","","","","","0.887","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013539","16.4","0.003","10.174","0.002","17.016","0.003","90","","95.5","0.03","90","","2826.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetrakis(5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate","","- C18 H24 Cu F6 N8 O6 S2 -","- C18 H24 Cu F6 N8 O6 S2 -","- C72 H96 Cu4 F24 N32 O24 S8 -","4","1","AV1148","Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng","The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates","Acta Crystallographica Section C","2003","59","12","m512","m515","10.1107/S0108270103021061","","","0.71073","MoKα","","0.1068","0.0411","","","0.0862","0.1027","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013540","15.408","0.003","12.627","0.003","20.38","0.004","90","","104.37","0.03","90","","3841","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aquatetrakis(2-ethyl-5-methyl-1H-imidazole-κN^3^)copper(II) trifluoromethanesulfonate","","- C26 H42 Cu F6 N8 O7 S2 -","- C26 H42 Cu F6 N8 O7 S2 -","- C104 H168 Cu4 F24 N32 O28 S8 -","4","1","AV1148","Wang, Hai-Ying; Liu, Shyh-Jiun; Wang, Ru-Ji; Su, Chan-Cheng","The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates","Acta Crystallographica Section C","2003","59","12","m512","m515","10.1107/S0108270103021061","","","0.71073","MoKα","","0.1777","0.0635","","","0.1229","0.155","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013541","7.6488","0.0015","18.732","0.004","8.6668","0.0017","90","","112.11","0.03","90","","1150.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[dichlorocadmium(II)]-di-μ-1,1'-(1,4-butanediyl)diimidazole]","","- C20 H28 Cd Cl2 N8 -","- C20 H28 Cd Cl2 N8 -","- C40 H56 Cd2 Cl4 N16 -","2","0.5","AV1149","Ma, Jian-Fang; Yang, Jin; Liu, Jing-Fu","A novel Cd^II^ coordination polymer with 1,1'-(1,4-butanediyl)diimidazole","Acta Crystallographica Section C","2003","59","11","m482","m483","10.1107/S0108270103022443","","","0.71073","MoKα","","0.031","0.022","","","0.064","0.066","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013542","6.6855","0.0002","13.2221","0.0003","9.9254","0.0003","90","","102.543","0.0008","90","","856.43","0.04","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu N4 O6 -","- C12 H12 Cl2 Cu N4 O6 -","- C24 H24 Cl4 Cu2 N8 O12 -","2","0.5","AV1150","Xuan, Richeng; Li, Meichao; Wan, Yuehua","Bis(2-chloro-5-methylpyridine-κ<i>N</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2003","59","11","m462","m464","10.1107/S010827010302198X","","","0.71073","MoKα","","","0.028","","","","0.072","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013543","7.743","0.001","14.94","0.003","6.523","0.001","90","","90","","90","","754.6","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","2-Chloro-4,6-dimethoxy-1,3,5-triazine","","- C5 H6 Cl N3 O2 -","- C5 H6 Cl N3 O2 -","- C20 H24 Cl4 N12 O8 -","4","0.5","AV1154","Natalya Fridman; Moshe Kapon; Menahem Kaftory","2-Chloro-4,6-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o685","o686","10.1107/S0108270103024569","","","0.71073","MoKα","","0.0526","0.0305","","","0.0712","0.0748","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013544","10.244","0.002","9.208","0.003","11.615","0.003","90","","99.7","0.03","90","","1079.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.71073","MoKα","","0.148","0.0632","","","0.1351","0.1588","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013545","7.386","0.002","9.718","0.002","9.868","0.002","108.73","0.02","93.36","0.02","109.67","0.02","620.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4,6-dimethoxy-1,3,5-triazin-2-yloxy)-2-methylphenol","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C24 H26 N6 O8 -","2","1","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.7107","MoKα","","0.0669","0.0418","","","0.1189","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013546","32.61","0.006","13.757","0.003","15.904","0.003","90","","111.56","0.02","90","","6636","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)phenyl phenyl ketone","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C288 H240 N48 O64 -","16","2","AV1155","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Derivatives of 2,4-dimethoxy-1,3,5-triazine","Acta Crystallographica Section C","2003","59","12","o687","o689","10.1107/S0108270103024570","","","0.71073","MoKα","","0.081","0.0385","","","0.0928","0.1","","","","","","0.854","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013547","9.4424","0.00005","9.4424","0.00005","110.079","0.0007","90","","90","","120","","8499.63","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cs6 Mo27 S31 -","- Cs6 Mo27 S31 -","- Cs36 Mo162 S186 -","6","0.166667","BC1009","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters","Acta Crystallographica Section C","2003","59","11","i112","i114","10.1107/S0108270103006243","","","0.71069","MoKα","","0.0421","0.0266","","","0.0447","0.0479","","","","","","1.122","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013548","12.2692","0.0012","20.057","0.002","12.282","0.0013","90","","113.803","0.011","90","","2765.3","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cd3 Cl9 H30 O15 Yb -","- Cd3 Cl9 H30 O15 Yb -","- Cd12 Cl36 H120 O60 Yb4 -","4","1","BC1020","Yahyaoui, Samia; Ben Hassen, Rached; Donnadieu, Bruno; Daran, Jean Claude; Ben Salah, Abdelhamid","[Yb(H~2~O)~8~][Cd~3~Cl~9~(H~2~O)]·6H~2~O","Acta Crystallographica Section C","2003","59","11","i109","i111","10.1107/S0108270103015877","","","0.71073","MoKα","","0.027","0.0268","","","0.064","0.0641","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013549","6.8691","0.0016","8.96","0.002","4.7168","0.0011","90","","101.73","0.018","90","","284.24","0.11","280","1","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","diyttrium disilicate","","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.25","BC1023","Redhammer, Günther J.; Roth, Georg; .","β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K","Acta Crystallographica Section C","2003","59","10","i103","i106","10.1107/S0108270103018869","","","0.71073","MoKα","","","0.019","","","","0.045","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013550","6.8667","0.0016","8.959","0.002","4.7167","0.0011","90","","101.724","0.018","90","","284.11","0.11","100","1","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.25","BC1023","Redhammer, Günther J.; Roth, Georg; .","β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K","Acta Crystallographica Section C","2003","59","10","i103","i106","10.1107/S0108270103018869","","","0.71073","MoKα","","","0.021","","","","0.048","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013551","4.1537","0.0007","4.1537","0.0007","6.862","0.002","90","","90","","120","","102.53","0.04","150","2","150","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- I2 Mg -","- I2 Mg -","- I2 Mg -","1","0.0833333","BC1028","Brogan, Michael A.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Magnesium diiodide, MgI~2~","Acta Crystallographica Section C","2003","59","12","i136","i138","10.1107/S0108270103025769","","","0.71073","MoKα","","0.0209","0.0208","","","0.0627","0.0628","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013552","15.3857","0.0003","5.8668","0.0001","11.954","0.0003","90","","104.985","0.002","90","","1042.33","0.04","120","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","BM1540","Cox, Philip J.; MacManus, Stephen M.","5-Chloro-2-hydroxybenzophenone, featuring O—H···O, C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section C","2003","59","10","o603","o604","10.1107/S0108270103019656","","","0.71073","MoKα","","","0.034","","","","0.092","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013553","11.3902","0.0002","13.9774","0.0001","18.0502","0.0002","90","","104.134","0.001","90","","2786.69","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl6 N2 O6 Zr -","- C56 H64 Cl6 N2 O6 Zr -","- C112 H128 Cl12 N4 O12 Zr2 -","2","0.5","BM1541","Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.","A zirconium zwitterion containing a caged amine H atom","Acta Crystallographica Section C","2003","59","11","m494","m496","10.1107/S0108270103022595","","","0.71073","MoKα","","0.055","0.041","","","0.105","0.115","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013554","7.6066","0.0009","8.7846","0.0009","9.3316","0.0011","99.918","0.004","95.556","0.004","101.534","0.005","596.23","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl6 N4 O4 -","- C20 H16 Cl6 N4 O4 -","- C20 H16 Cl6 N4 O4 -","1","0.5","BM1542","Kennedy, Alan R.; Waterson, Fraser R. N.","4,4'-(Azinodimethylene)dipyridinium chloranilate dichloromethane disolvate","Acta Crystallographica Section C","2003","59","11","o613","o615","10.1107/S010827010302050X","","","0.71073","MoKα","","0.136","0.0582","","","0.121","0.151","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013555","31.548","0.002","11.8574","0.0009","15.6654","0.0011","90","","112.364","0.002","90","","5419.3","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20.8 N3 O5.9 S -","- C16 H16.3 N3 O5.90533 S -","- C192 H195.6 N36 O70.864 S12 -","12","3","BM1543","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Teat, Simon J.; Vrcelj, Ranko M.","Cephalexin: a channel hydrate","Acta Crystallographica Section C","2003","59","11","o650","o652","10.1107/S0108270103022649","","","0.6891","Synchrotron","","0.0984","0.074","","","0.1825","0.1929","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013556","3.6204","0.0011","5.7446","0.0017","8.775","0.003","90.271","0.005","91.97","0.005","105.776","0.005","175.5","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]","","- C8 H5 Na O4 -","- C8 H5 Na O4 -","- C8 H5 Na O4 -","1","0.5","BM1544","Dale, Sophie H.; Elsegood, Mark R. J.","Poly[sodium(I)-μ~6~-hydrogen benzene-1,4-dicarboxylato]","Acta Crystallographica Section C","2003","59","11","m475","m477","10.1107/S0108270103022509","","","0.71073","MoKα","","0.031","0.028","","","0.083","0.085","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013557","36.706","0.003","4.913","0.0004","12.364","0.005","90","","98.808","0.004","90","","2203.4","0.9","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 N4 O6 S -","- C26 H18 N4 O6 S -","- C104 H72 N16 O24 S4 -","4","1","BM1545","Cox, Philip J.; Wardell, James L.","4,4'-Sulfonylbis[<i>N</i>-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder","Acta Crystallographica Section C","2003","59","12","o706","o708","10.1107/S0108270103025149","","","0.6934","synchrotron","","","0.0416","","","","0.1066","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013558","11.619","0.003","7.342","0.002","18.124","0.003","90","","92.202","0.019","90","","1545","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-amino-1-phenyltetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C56 H56 N40 -","8","2","BM1546","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.","Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole","Acta Crystallographica Section C","2003","59","12","o690","o693","10.1107/S0108270103024442","","","0.71073","MoKα","","0.0634","0.0465","","","0.1272","0.1447","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013559","12.176","0.005","7.3611","0.0018","11.699","0.003","90","","93.85","0.03","90","","1046.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-amino-1-(1-naphthyl)tetrazole","","- C11 H9 N5 -","- C11 H9 N5 -","- C44 H36 N20 -","4","1","BM1546","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.; Matulis, Vadim E.; Ivashkevich, Oleg A.","Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole","Acta Crystallographica Section C","2003","59","12","o690","o693","10.1107/S0108270103024442","","","0.71073","MoKα","","0.0812","0.0617","","","0.1785","0.2069","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013560","21.203","0.004","7.468","0.002","22.123","0.005","90","","108.947","0.015","90","","3313.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","","- C28 H22 Cu2 F6 N8 O6 -","- C28 H22 Cu2 F6 N8 O6 -","- C112 H88 Cu8 F24 N32 O24 -","4","0.5","DE1219","Zeng, Xi-Rui; Fang, Xiao-Niu; Peng, Shie-Ming; Lin, Hsiu-Mei","Bis(μ-di-2-pyridylaminato 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate","Acta Crystallographica Section C","2003","59","11","m497","m498","10.1107/S010827010302064X","","","0.71073","MoKα","","0.0605","0.0327","","","0.084","0.0951","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013561","5.909","0.002","9.706","0.003","13.184","0.005","102.02","0.03","94.39","0.03","106.39","0.03","702.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,6-Diphenylthiapyran-4-one","2,6-Diphenylthiapyran-4-one","","- C17 H16 O S -","- C17 H16 O S -","- C34 H32 O2 S2 -","2","1","DE1222","Narasimhamurthy, T.; Benny, J. C. N.; Pandiarajan, K.; Rathore, Ravindranath S.","Herring-bone π‒π interactions in <i>trans</i>-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one","Acta Crystallographica Section C","2003","59","11","o620","o621","10.1107/S0108270103019577","","","1.5418","CuKα","","0.059","0.057","","","0.16","0.16","","","","","","1.234","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013562","22.826","0.007","6.971","0.002","16.593","0.005","90","","90","","90","","2640.3","1.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Chlorobis[N'-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O4 S2 -","- C22 H28 Cl Cu N4 O4 S2 -","- C88 H112 Cl4 Cu4 N16 O16 S8 -","4","0.5","DE1224","Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao","Chlorobis[<i>N</i>'-ethoxycarbonyl-<i>N</i>-(4-methylphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2003","59","11","m473","m474","10.1107/S0108270103022285","","","0.71073","MoKα","","0.116","0.059","","","0.131","0.161","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013563","6.6915","0.0017","7.1211","0.0012","18.551","0.004","90","","90","","90","","884","0.3","203","2","203","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","","- C4 H6 Cl2 Cu N6 O -","- C4 H6 Cl2 Cu N6 O -","- C16 H24 Cl8 Cu4 N24 O4 -","4","0.5","DN1028","Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","Acta Crystallographica Section C","2003","59","12","m530","m532","10.1107/S0108270103021516","","","0.71073","MoKα","","0.02","0.0184","","","0.0465","0.0472","","","","","","1.094","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013564","6.5737","0.0001","12.0671","0.0002","21.5206","0.0005","90","","90.0815","0.0007","90","","1707.13","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aluminium piperazinium sulfate decahydrate","Hexaaquaaluminium hemi(piperidin-1,4-diium) bis(sulfate) tetrahydrate","","- C4 H32 Al2 N2 O36 S4 -","- C4 H52 Al2 N2 O36 S4 -","- C8 H104 Al4 N4 O72 S8 -","2","0.5","DN1030","Bataille, Thierry","Hemi(piperazinediium) hexaaquaaluminium(III) bis(sulfate) tetrahydrate: a new double aluminium sulfate salt","Acta Crystallographica Section C","2003","59","11","m459","m461","10.1107/S0108270103021243","","","0.71073","MoKα","","0.0578","0.0384","","","0.0944","0.1045","","","","","","1.066","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2013565","9.1673","0.0003","9.0698","0.0002","9.8939","0.0003","90","","93.8823","0.0017","90","","820.75","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dichloroneophylphenylstannane","Dichloro(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Cl2 Sn -","- C16 H18 Cl2 Sn -","- C32 H36 Cl4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0284","0.026","","","0.0615","0.0627","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013566","9.2966","0.0003","9.3763","0.0003","9.6898","0.0003","90","","93.01","0.002","90","","843.47","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","dibromoneophylphenylstannane","Dibromo(2-methyl-2-phenylpropyl)phenylstannane","","- C16 H18 Br2 Sn -","- C16 H18 Br2 Sn -","- C32 H36 Br4 Sn2 -","2","1","DN1033","Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K","Acta Crystallographica Section C","2003","59","12","m526","m529","10.1107/S0108270103024272","","","0.71073","MoKα","","0.0275","0.0257","","","0.0604","0.0612","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013567","4.1614","0.001","9.391","0.002","21.571","0.003","90","","95.02","0.01","90","","839.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C8 H K N4 O2 -","- C8 H K N4 O2 -","- C32 H4 K4 N16 O8 -","4","1","FA1025","Tafeenko, Viktor A.; Kaukova, Olga V.; Peschar, Rene; Petrov, Aleksandr V.; Aslanov, Leonid A.","Potassium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2003","59","10","m421","m423","10.1107/S0108270103020158","","","0.71073","MoKα","","0.051","0.037","","","0.089","0.095","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013568","5.5322","0.0006","9.1505","0.0013","9.8235","0.0008","90","","108.189","0.007","90","","472.44","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dioxopiperazine-1,4-diacetic acid","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C16 H20 N4 O12 -","2","0.5","FA1026","Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Cabral, Lucia M. L.; Rocha Gonsalves, A. M. dA.","<i>R</i>_<b>4</b>^<b>4</b>(30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid","Acta Crystallographica Section C","2003","59","10","o562","o563","10.1107/S0108270103017803","","","0.71073","MoKα","","0.0729","0.0421","","","0.1034","0.1168","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013569","11.627","0.003","14.7157","0.0019","21.081","0.003","90","","90","","90","","3606.9","1.2","291","0.5","291","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10,13,16,17-tetrahydroxy-9-methyl-15-oxo-20-nor-kauran-18-oic acid-γ-lactone","","- C40 H58 O13 -","- C40 H58 O13 -","- C160 H232 O52 -","4","1","FA1027","Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella","A new norkaurane-γ-lactone from <i>Parinari sprucei</i>","Acta Crystallographica Section C","2003","59","11","o644","o646","10.1107/S0108270103019814","","","1.54178","CuKα","","0.0391","0.0322","","","0.0956","0.0984","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013570","26.717","0.004","7.4853","0.001","20.601","0.003","90","","117.906","0.009","90","","3640.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[[acetato(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- dicyanamido-κ^2^N^1^:N^5^] trihydrate]","","- C16 H17 Cu N5 O5 -","- C16 H17 Cu N5 O5 -","- C128 H136 Cu8 N40 O40 -","8","1","FA1028","Wu, A.-Qing; Cai, Li-Zhen; Chen, Wen-Tong; Guo, Guo-Cong; Huang, Jin-Shun","A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands","Acta Crystallographica Section C","2003","59","11","m491","m493","10.1107/S0108270103023114","","","0.71073","MoKα","","0.077","0.055","","","0.123","0.138","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013571","6.7333","0.0009","12.6195","0.0016","19.827","0.003","90","","90","","90","","1684.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-Bi(2-methylphenylimino)-1,4-dithiacyclohexane","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","0.5","FA1032","Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen","2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane","Acta Crystallographica Section C","2003","59","11","o611","o612","10.1107/S0108270103021000","","","0.71073","MoKα","","0.0839","0.058","","","0.1367","0.1465","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013572","4.6572","0.0013","10.9765","0.0014","18.1026","0.0017","90","","90.147","0.011","90","","925.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 S5 -","- C6 H6 S5 -","- C24 H24 S20 -","4","1","FA1033","Xue, Gang; Fang, Qi; Yu, Wentao","4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section C","2003","59","11","o653","o655","10.1107/S0108270103022662","","","0.71073","MoKα","","0.0684","0.0364","","","0.0733","0.0931","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013573","16.358","0.004","4.5009","0.0011","13.066","0.003","90","","108.736","0.015","90","","911","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H6 O S4 -","- C6 H6 O S4 -","- C24 H24 O4 S16 -","4","1","FA1033","Xue, Gang; Fang, Qi; Yu, Wentao","4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section C","2003","59","11","o653","o655","10.1107/S0108270103022662","","","0.71073","MoKα","","0.0594","0.044","","","0.0985","0.1067","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013574","10.3902","0.0016","16.751","0.003","18.96","0.003","90","","98.046","0.004","90","","3267.4","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-trifluoroacetato-μ~3~-oxo-bis[(2,2'-bipyridine- κ^2^N,N')(trifluoroacetato-κO)iron(III)]","","- C28 H16 F12 Fe2 N4 O9 -","- C28 H16 F12 Fe2 N4 O9 -","- C112 H64 F48 Fe8 N16 O36 -","4","1","FA1034","Bacsa, John; Zhao, Hanhua; Kim R. Dunbar","Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H","Acta Crystallographica Section C","2003","59","12","m561","m564","10.1107/S0108270103025691","","","0.71073","MoKα","","0.0651","0.0431","","","0.1069","0.1179","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013575","12.733","0.003","19.015","0.004","22.222","0.004","90","","91.63","0.03","90","","5378","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2,2'-bipyridine)di-μ~3~-oxo-hexa-μ-trifluoroacetato- bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate","","- C38 H17 F27 Fe4 N4 O20 -","- C38 H17 F27 Fe4 N4 O20 -","- C152 H68 F108 Fe16 N16 O80 -","4","1","FA1034","Bacsa, John; Zhao, Hanhua; Kim R. Dunbar","Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H","Acta Crystallographica Section C","2003","59","12","m561","m564","10.1107/S0108270103025691","","","0.71073","MoKα","","0.0868","0.0603","","","0.1244","0.1356","","","","","","1.069","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013576","8.2493","0.0007","9.4564","0.0007","9.705","0.0008","93.221","0.005","105.342","0.005","106.191","0.006","694.2","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine","","- C13 H18 N8 -","- C13 H18 N8 -","- C26 H36 N16 -","2","1","FA1035","Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate","Acta Crystallographica Section C","2003","59","12","o696","o699","10.1107/S0108270103025058","","","0.71073","MoKα","","0.0392","0.0365","","","0.093","0.0961","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013577","22.503","0.0014","8.3217","0.0006","18.4269","0.0012","90","","94.667","0.005","90","","3439.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)- 1,3,5-triazine hemihydrate","","- C17 H21 N8 O0.5 -","- C17 H21 N8 O0.5 -","- C136 H168 N64 O4 -","8","1","FA1035","Maria Gdaniec; Franciszek Sączewski; Zdzisław Brzozowski","2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate","Acta Crystallographica Section C","2003","59","12","o696","o699","10.1107/S0108270103025058","","","0.71073","MoKα","","0.0968","0.0449","","","0.0777","0.0928","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013578","6.4917","0.0008","12.327","0.001","15.844","0.001","90","","90","","90","","1267.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine","","- C11 H15 B Br N O2 -","- C11 H15 B Br N O2 -","- C44 H60 B4 Br4 N4 O8 -","4","1","FG1698","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, a new unexpected bifunctional building block for combinatorial chemistry","Acta Crystallographica Section C","2003","59","10","o596","o597","10.1107/S0108270103016767","","","0.71069","MoKα","","0.154","0.062","","","0.133","0.166","","","","","","0.966","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013579","37.6488","0.0015","37.6488","0.0015","9.6613","0.0008","90","","90","","120","","11859.6","1.2","105","2","105","2","","","","","","","","5","P 61","P 61","169","","L-Methionyl-L-alanine","","- C8 H16 N2 O3 S -","- C7.99157 H15.9759 N2 O3 S0.999714 -","- C335.646 H670.986 N84 O126 S41.988 -","42","7","FG1702","Görbitz, Carl Henrik","<small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7","Acta Crystallographica Section C","2003","59","10","o589","o592","10.1107/S0108270103019280","","","0.71073","MoKα","","0.154","0.058","","","0.108","0.145","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013580","9.36","0.002","9.109","0.002","21.242","0.004","90","","98.78","0.03","90","","1789.9","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","2","FG1703","Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez","2-Amino-1,3-benzothiazole‒ethyl coumarin-3-carboxylate (1/1)","Acta Crystallographica Section C","2003","59","10","o544","o546","10.1107/S0108270103017207","","","0.71073","MoKα","","0.0763","0.0497","","","0.1174","0.1311","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013581","15.469","0.003","20.644","0.004","7.997","0.004","90","","90","","90","","2553.8","1.5","120","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","N,N'-bis(pyrrol-2-ylmethylene)propane-1,2-diamine","","- C13 H16 N4 -","- C13 H16 N4 -","- C104 H128 N32 -","8","1","FG1708","Munro, Orde Q.; Camp, Greville L.","Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer","Acta Crystallographica Section C","2003","59","12","o672","o675","10.1107/S0108270103023230","","","0.71073","MoKα","","","0.046","","","","0.123","","","","","","1.101","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013582","5.055","0.0003","22.9305","0.0007","6.5918","0.0004","90","","111.596","0.002","90","","710.44","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diaquabis(imidazole-4,5-dicarboxylate-κ^2^N^3^,O)manganese(II)","","- C10 H10 Mn N4 O10 -","- C10 H10 Mn N4 O10 -","- C20 H20 Mn2 N8 O20 -","2","0.5","FG1711","Ma, Chengbing; Chen, Feng; Chen,Changneng; Liu, Qiutian","<i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylate-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","Acta Crystallographica Section C","2003","59","12","m516","m518","10.1107/S0108270103024338","","","0.71073","MoKα","","","0.0599","","","0.1403","0.1556","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013583","7.991","0.003","14.211","0.003","13.3274","0.0019","90","","105.501","0.017","90","","1458.4","0.7","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ap-9-(o-Methylphenyl)-9-fluorenol","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","1","FG1712","Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.","<i>ap</i>-9-(<i>o</i>-Methylphenyl)-9-fluorenol, a structure exhibiting several aryl-H···π(arene) intermolecular interactions","Acta Crystallographica Section C","2003","59","12","o712","o714","10.1107/S0108270103023503","","","0.71069","MoKα","","0.077","0.035","","","0.088","0.104","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013584","6.7093","0.0009","15.336","0.003","20.21","0.003","90","","90","","90","","2079.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato- κ^2^O^1^:O^4^] hexahydrate]","","- C16 H24 Mn N2 O12 -","- C16 H24 Mn N2 O12 -","- C64 H96 Mn4 N8 O48 -","4","1","FR1417","Zhang, Xiaofeng; Huang Deguang; Chen Feng; Chen,Changneng; Liu, Qiutian; Sun, Licheng","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] hexahydrate]","Acta Crystallographica Section C","2003","59","10","m402","m404","10.1107/S010827010301761X","","","0.71073","MoKα","","0.032","0.0282","","","0.0699","0.0737","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013585","10.136","0.003","14.867","0.004","10.238","0.003","90","","111.36","0.02","90","","1436.8","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-2-(1,2,3,4,4a,5,6,7,8,8aα-decahydro-4aβ,8α-dimethyl- 7-oxo-2β-naphthyl)propionic acid","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","FR1424","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-2-(1,2,3,4,4a,5,6,7,8,8aα-Decahydro-4aβ,8α-dimethyl-7-oxo-2β-naphthyl)propionic acid: catemeric hydrogen bonding in a bicyclic sesquiterpenoid ζ-keto acid","Acta Crystallographica Section C","2003","59","10","o580","o582","10.1107/S0108270103018997","","","0.71073","MoKα","","0.117","0.055","","","0.097","0.12","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013586","6.1191","0.0018","7.168","0.002","33.449","0.01","90","","91.408","0.009","90","","1466.7","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","FR1427","Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and <i>N</i>,<i>N</i>-dimethyl-4-[(1<i>E</i>,3<i>E</i>)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine","Acta Crystallographica Section C","2003","59","11","o625","o628","10.1107/S0108270103020985","","","0.71073","MoKα","","0.081","0.0585","","","0.1332","0.1452","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013587","6.7383","0.001","10.3948","0.0016","12.8735","0.0019","79.933","0.008","81.754","0.008","84.103","0.008","875.8","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","1","FR1427","Nesterov, Volodymyr V.; Suina, Andrea; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Barlow, Stephen; Marder, Seth R.","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-(4-nitrophenyl)prop-2-enylidene]benzene-1,4-diamine and <i>N</i>,<i>N</i>-dimethyl-4-[(1<i>E</i>,3<i>E</i>)-4-(4-nitrophenyl)buta-1,3-dienyl]-1-naphthylamine","Acta Crystallographica Section C","2003","59","11","o625","o628","10.1107/S0108270103020985","","","0.71073","MoKα","","0.0874","0.0685","","","0.1706","0.187","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013588","11.9528","0.0013","8.091","0.0005","12.4205","0.0014","90","","108.268","0.009","90","","1140.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Hydroxy-4-Nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2H)-one","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","FR1431","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Erdönmez, Ahmet","2-[(2-Hydroxy-4-nitrophenyl)aminomethylene]cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2003","59","10","o601","o602","10.1107/S0108270103018456","","","0.71073","MoKα","","0.0472","0.0383","","","0.1048","0.1083","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013589","9.6807","0.0017","11.793","0.002","9.8373","0.0018","90","","106.11","0.003","90","","1079","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.047","0.04","","","0.098","0.103","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013590","10.6464","0.0007","10.7749","0.0007","20.854","0.0013","90","","90","","90","","2392.2","0.3","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.06","0.046","","","0.099","0.105","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013591","10.4437","0.0009","8.7029","0.0007","12.6147","0.0011","90","","101.801","0.002","90","","1122.32","0.16","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.057","0.044","","","0.104","0.111","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013592","9.2667","0.0017","12.1242","0.0015","21.099","0.019","90","","90","","90","","2371","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O'']","","- C25 H20 Co N6 O4 -","- C25 H20 Co N6 O4 -","- C100 H80 Co4 N24 O16 -","4","1","FR1433","Xue, Yu-Hong; Xu, Duan-Jun; Gu, Jian-Ming","Helical <i>catena</i>-poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-maleato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2003","59","10","m387","m389","10.1107/S0108270103017785","","","0.71069","MoKα","","0.057","0.041","","","0.099","0.114","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013593","10.859","0.001","9.523","0.001","13.91","0.001","90","","93.18","0.01","90","","1436.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(μ-1,2-benzenethiolato)-1:2κ^3^S,S':S';2:1κ^3^S,S':S'- bis[(2,2'-bipyridine-κ^2^N,N')zinc(II)]","","- C32 H24 N4 S4 Zn2 -","- C32 H24 N4 S4 Zn2 -","- C64 H48 N8 S8 Zn4 -","2","0.5","FR1434","Hatch, Dana M.; Wacholtz, William F.; Mague, Joel T.","A dimeric heteroleptic five-coordinate zinc(II) complex containing a non-motionally restricted <i>N</i>,<i>N</i>'-heterocyclic ligand","Acta Crystallographica Section C","2003","59","11","m452","m453","10.1107/S0108270103017633","","","0.71073","MoKα","","0.027","0.0253","","","0.0641","0.0651","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013594","10.069","0.003","14.981","0.003","11.714","0.003","90","","100.17","0.02","90","","1739.2","0.8","296","","296","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","ap-9-(meta-tert-Butylphenyl)fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","FR1435","Robinson, Paul D.; McLean, Aaron W.; Meyers, Cal Y.","<i>ap</i>-9-(<i>meta</i>-<i>tert</i>-Butylphenyl)fluorene","Acta Crystallographica Section C","2003","59","10","o539","o540","10.1107/S0108270103017797","","","0.71069","MoKα","","0.071","0.037","","","0.095","0.109","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013595","6.754","0.001","5.725","0.001","21.078","0.004","90","","97.46","0.02","90","","808.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","FR1436","Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-2-Methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a δ-keto acid derived from Hagemann's ester","Acta Crystallographica Section C","2003","59","12","o679","o681","10.1107/S0108270103024545","","","0.71073","MoKα","","0.105","0.064","","","0.148","0.172","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013596","5.4302","0.0009","13.37","0.002","14.075","0.002","63.198","0.011","86.956","0.012","85.297","0.014","908.9","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-2-Oxocyclohexanepropionic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1439","Lalancette, Roger A.; Thompson, Hugh W.","(±)-2-Oxocyclohexanepropionic acid: dual conformational selection and hydrogen bonding in a δ-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts","Acta Crystallographica Section C","2003","59","11","o638","o640","10.1107/S0108270103020638","","","0.71073","MoKα","","0.089","0.052","","","0.126","0.145","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013597","16.6252","0.001","10.6287","0.0005","23.831","0.002","90","","95.484","0.005","90","","4191.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis[N,N'-bis(2-isopropylphenyl)pentane-2,4-diiminato]magnesium(II)","","- C46 H58 Mg N4 -","- C46 H58 Mg N4 -","- C184 H232 Mg4 N16 -","4","1","FR1440","Kennedy, Alan R.; Mair, Francis S.","A magnesium‒bis(diaryldiketiminate) complex","Acta Crystallographica Section C","2003","59","12","m549","m551","10.1107/S010827010302376X","","","0.71073","MoKα","","0.1124","0.0478","","","0.1018","0.1191","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013598","12.174","0.002","12.174","0.002","6.885","0.002","90","","90","","90","","1020.4","0.4","294","","","","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium iodide","","- C24 H20 As I -","- C24 H20 As I -","- C48 H40 As2 I2 -","2","0.25","GA1032","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","Tetraphenylarsonium iodide, a new determination","Acta Crystallographica Section C","2003","59","11","m484","m486","10.1107/S0108270103022650","","","0.71073","MoKα","","","0.022","","","","0.03","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013599","10.5565","0.0014","10.9994","0.0015","11.4194","0.0015","78.966","0.002","71.685","0.002","77.256","0.003","1217.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate","","- C48 H50 N4 O14 Y2 -","- C48 H46 N4 O14 Y2 -","- C48 H46 N4 O14 Y2 -","1","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.16","0.057","","","0.104","0.115","","","","","","0.864","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013600","10.6924","0.0014","10.906","0.0015","11.8528","0.0016","77.832","0.002","72.329","0.002","77.81","0.002","1271.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[(crotonato-κ^2^O,O')(4-methyl-1,10- phenanthroline-κ^2^N,N')yttrium(III)] dihydrate","","- C50 H54 N4 O14 Y2 -","- C50 H50 N4 O14 Y2 -","- C50 H50 N4 O14 Y2 -","1","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.132","0.047","","","0.077","0.084","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013601","38.108","0.004","8.851","0.001","25.539","0.003","90","","126.26","0.01","90","","6945.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(μ-crotonato-1:2κ^2^O:O')bis[bis(aqua-κO)(crotonato- κ^2^O,O')(yttrium(III)] 2,2'-bipyridylamine tetrasolvate","","- C64 H74 N12 O16 Y2 -","- C64 H74 N12 O16 Y2 -","- C256 H296 N48 O64 Y8 -","4","0.5","GA1033","Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo","Three yttrium crotonate complexes with diimines","Acta Crystallographica Section C","2003","59","10","m416","m420","10.1107/S0108270103019073","","","0.71073","MoKα","","0.076","0.042","","","0.088","0.094","","","","","","0.878","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013602","9.5032","0.0005","21.4599","0.001","11.7601","0.0007","90","","113.791","0.001","90","","2194.5","0.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O-(2-tert-butyl-6-dimethylcarbonothioyl-4-methyl-phenyl) dimethylthiocarbamoate dichloromethane solvate.","","- C18 H28 Cl2 N2 O S2 -","- C18 H28 Cl2 N2 O S2 -","- C72 H112 Cl8 N8 O4 S8 -","4","1","GD1269","Castillo, Ivan; Flores-Figueroa, Aarón; Hernández-Ortega, Simón","<i>O</i>-(2-<i>tert</i>-Butyl-6-dimethylthiocarbamoyl-4-methylphenyl) <i>N</i>,<i>N</i>-dimethylthiocarbamate dichloromethane solvate","Acta Crystallographica Section C","2003","59","10","o577","o579","10.1107/S010827010301905X","","","0.71073","MoKα","","0.0873","0.0607","","","0.1533","0.1667","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013603","12.814","0.001","10.4199","0.0008","20.072","0.002","90","","106.937","0.001","90","","2563.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Piperidinylpyridinium hexafluorophosphate","","- C10 H15 F6 N2 P -","- C10 H15 F6 N2 P -","- C80 H120 F48 N16 P8 -","8","2","GD1273","James, Bruce D.; Mutrofin, Siti; Skelton, Brian W.; White, Allan H.","4-(Piperidin-1-yl)pyridinium hexafluorophosphate at 150K","Acta Crystallographica Section C","2003","59","11","o622","o624","10.1107/S0108270103019358","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.048","","","0.982","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013604","9.359","0.002","9.406","0.002","9.509","0.002","68.05","0.02","64.17","0.02","62.58","0.01","652.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 O7 S -","- C15 H8 O7 S -","- C30 H16 O14 S2 -","2","1","GD1278","Skelton, Brian W.; White, Allan H.","7-Methoxyanthra[1,9-<i>de</i>]-1,3,2-dioxathiine-8,11-dione 2,2-dioxide","Acta Crystallographica Section C","2003","59","11","o609","o610","10.1107/S0108270103020420","","","0.71073","MoKα","","0.059","0.046","","0.063","","0.058","","","1.007","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013605","12.5103","0.0007","8.4276","0.0006","24.401","0.002","90","","90","","90","","2572.6","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]","","- C11 H9 Cu K N2 O3 S -","- C11 H9 Cu K N2 O3 S -","- C88 H72 Cu8 K8 N16 O24 S8 -","8","1","GD1279","Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga","<i>catena</i>-Poly[potassium [copper(II)-μ-isothiocyanato-μ-<i>N</i>-salicylidene-β-alaninato(2‒)]]","Acta Crystallographica Section C","2003","59","12","m509","m511","10.1107/S0108270103023151","","","0.71073","MoKα","","0.04","0.033","","","0.077","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013606","9.0791","0.0014","11.0455","0.0015","11.358","0.0011","93.592","0.01","102.316","0.011","112.167","0.014","1017.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-bis(3-aminopropyl)ethylenediamine-κ^4^N,N',N'',N'''][1,3,5-triazine- 2,4,6(1H,3H,5H)-trithioneκ^2^N,S]zinc(II) ethanol solvate","","- C13 H29 N7 O S3 Zn -","- C13 H29 N7 O S3 Zn -","- C26 H58 N14 O2 S6 Zn2 -","2","1","GD1284","Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk","[<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)ethylenediamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''](trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II) ethanol solvate","Acta Crystallographica Section C","2003","59","12","m558","m560","10.1107/S0108270103025836","","","0.71073","MoKα","","0.037","0.036","","","0.097","0.097","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013607","9.5904","0.0003","13.4903","0.0005","15.8568","0.0005","90","","106.603","0.002","90","","1965.98","0.12","294","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(ferrocenylmethyl)anthracene-9-carboxamide","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","GD1288","Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.","Intermolecular interactions in <i>N</i>-(ferrocenylmethyl)anthracene-9-carboxamide","Acta Crystallographica Section C","2003","59","12","m552","m554","10.1107/S010827010302585X","","","0.71073","MoKα","","0.0674","0.0395","","","0.0854","0.0974","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013608","12.133","0.005","12.658","0.005","19.104","0.005","76.39","0.005","73.26","0.005","76.62","0.005","2688.2","1.7","160","","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12)","","- C5 H15 B10 O4.5 -","- C5 H15 B10 O4.5 -","- C40 H120 B80 O36 -","8","4","GG1173","Ulaganathan Venkatasubramanian; David Ellis; Georgina M. Rosair; Alan J. Welch","Crystal engineering with heteroboranes. II. 1,2-Dicarboxy-1,2-dicarba-<i>closo</i>-dodecaborane(12) ethanol hemisolvate","Acta Crystallographica Section C","2003","59","10","o559","o561","10.1107/S0108270103017608","","","0.71069","MoKα","","0.0638","0.0523","","","0.1343","0.1437","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013609","22.4411","0.0004","22.4411","0.0004","13.3749","0.0002","90","","90","","90","","6735.6","0.2","293","2","293","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","Benzyltripropylammonium bromide","","- C16 H28 Br N -","- C16 H28 Br N -","- C256 H448 Br16 N16 -","16","2","GG1174","Hodorowicz, Maciej A.; Czapkiewicz, Jan; Stadnicka, Katarzyna","Benzyltripropylammonium bromide: a structure in polar space group <i>P</i>4~2~<i>bc</i>","Acta Crystallographica Section C","2003","59","10","o547","o549","10.1107/S0108270103018651","","","0.71073","MoKα","","0.062","0.038","","","0.069","0.076","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013610","11.1273","0.0009","23.8687","0.0015","12.9417","0.0007","90","","94.584","0.006","90","","3426.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide","","- C39 H26 N9 Na S3 -","- C39 H26 N9 Na S3 -","- C156 H104 N36 Na4 S12 -","4","1","GG1175","Marek, Jaromír; Kopel, Pavel; Trávníček, Zdeněk","Tris(1,10-phenanthroline)sodium 2,4,6-trimercapto-1,3,5-triazin-1-ide","Acta Crystallographica Section C","2003","59","10","m399","m401","10.1107/S0108270103017773","","","0.71073","MoKα","","0.057","0.049","","","0.127","0.13","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013611","7.9973","0.0008","12.4449","0.0009","12.6115","0.0012","63.753","0.008","81.41","0.008","84.866","0.007","1112.74","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Berberine formate-succinic acid clathrate","9,10-dimethoxy-2,3-methylendioxy-5,6-dihydrodibenzo[a,g]quinolizinium formate-succinic acid (1/1)","","- C25 H25 N O10 -","- C25 H25 N O10 -","- C50 H50 N2 O20 -","2","1","GG1177","Marek, Jaromír; Hulová, Dagmar; Dostál, Jiří; Marek, Radek","Berberine formate‒succinic acid (1/1)","Acta Crystallographica Section C","2003","59","10","o583","o585","10.1107/S010827010301789X","","","0.71073","MoKα","","0.039","0.034","","","0.1","0.115","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013612","7.8033","0.0005","10.6424","0.0007","13.2432","0.0009","108.491","0.001","96.081","0.001","110.165","0.001","950.03","0.11","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-phenyloxamate","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","2","GG1178","Efrén V. García-Báez; Carlos Z. Gómez-Castro; Herbert Höpfl; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez","Ethyl <i>N</i>-phenyloxamate","Acta Crystallographica Section C","2003","59","10","o541","o543","10.1107/S0108270103017554","","","0.71073","MoKα","","0.0499","0.0439","","","0.1095","0.1137","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013613","26.608","0.008","7.0551","0.0006","18.918","0.005","90","","129.71","0.01","90","","2732","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-ethylthiosemicarbazono)methyl]-2-naphthol","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C112 H120 N24 O8 S8 -","8","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.058","0.04","","","0.109","0.122","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013614","19.243","0.004","6.7948","0.0006","24.471","0.006","90","","95.48","0.01","90","","3185","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-phenylthiosemicarbazono)methyl]-2-naphthol","","- C18 H15 N3 O S -","- C18 H15 N3 O S -","- C144 H120 N24 O8 S8 -","8","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.108","0.04","","","0.099","0.126","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013615","12.012","0.002","7.8776","0.0009","18.631","0.003","90","","95.78","0.01","90","","1754","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4,4-dimethylthiosemicarbazono)methyl]-2-naphthol dimethyl sulfoxide solvate","","- C16 H21 N3 O2 S2 -","- C16 H21 N3 O2 S2 -","- C64 H84 N12 O8 S8 -","4","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.087","0.04","","","0.099","0.12","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013616","9.293","0.001","5.1612","0.0003","12.563","0.001","90","","91.31","0.02","90","","602.4","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(4-methylthiosemicarbazono)methyl]-2-naphthol","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","GG1180","Bernhardt, Paul V.; Caldwell, Lorraine M.; Lovejoy, David B.; Richardson, Des R.","Four cytotoxic N4-substituted thiosemicarbazones derived from 2-hydroxynaphthalene-1-carboxaldehyde","Acta Crystallographica Section C","2003","59","11","o629","o633","10.1107/S0108270103021401","","","0.71073","MoKα","","0.048","0.03","","","0.073","0.08","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013617","6.8439","0.0006","8.5266","0.0009","9.4154","0.0008","78.634","0.008","74.531","0.007","73.96","0.009","504.38","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","1-allyl-2-aminopyridinium di-μ-chloro-bis[chlorocopper(II)]","","- C16 H22 Cl4 Cu2 N4 -","- C16 H22 Cl4 Cu2 N4 -","- C16 H22 Cl4 Cu2 N4 -","1","0.5","GG1181","Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian","Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation","Acta Crystallographica Section C","2003","59","11","m478","m481","10.1107/S0108270103021978","","","1.54178","CuKα","","0.0436","0.0434","","","0.1247","0.1248","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013618","6.8847","0.0005","8.6835","0.0012","9.6042","0.0014","78.096","0.012","74.172","0.009","73.642","0.009","524.8","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-allyl-2-aminopyridinium di-μ-(chloro/bromo)-bis[(chloro/bromo)copper(II)]","","- C16 H22 Br2.2 Cl1.8 Cu2 N4 -","- C16 H22 Br2.202 Cl1.798 Cu2 N4 -","- C16 H22 Br2.202 Cl1.798 Cu2 N4 -","1","0.5","GG1181","Goreshnik, Evgeny; Schollmeier, Dieter; Mys'kiv, Marian","Influence of Cl/Br substitution on the stereochemical peculiarities of copper(I) π-complexes with the 1-allyl-2-aminopyridinium cation","Acta Crystallographica Section C","2003","59","11","m478","m481","10.1107/S0108270103021978","","","1.54178","CuKα","","0.0362","0.0359","","","0.0971","0.0973","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013619","15.0347","0.0007","15.987","0.0007","16.4562","0.0008","83.501","0.004","66.004","0.005","61.981","0.005","3175.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Diaqua-bis(1,10-phenanthroline-N,N')manganese(II)] [bis(1,10-phenanthroline-N,N')(thiodiglycolato-O,O')manganese(II)] thiodiglycolate tridecahydrate","","- C56 H66 Mn2 N8 O23 S2 -","- C56 H66 Mn2 N8 O23 S2 -","- C112 H132 Mn4 N16 O46 S4 -","2","1","GG1182","Marek, Jaromír; Trávníček, Zdeněk; Kopel, Pavel","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiodiglycolato-κ^2^<i>O</i>,<i>O</i>')manganese(II) tridecahydrate","Acta Crystallographica Section C","2003","59","11","m429","m431","10.1107/S0108270103020249","","","0.71073","MoKα","","0.0431","0.0391","","","0.0962","0.0986","","","","","","1.047","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013620","7.656","0.002","8.613","0.002","9.671","0.002","78.893","0.003","71.433","0.003","77.984","0.003","585.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-cyanato-bis[(cyanato-κN)(tetramethylethylenediamine- κ^2^N,N')copper(II)]","","- C16 H32 Cu2 N8 O4 -","- C16 H32 Cu2 N8 O4 -","- C16 H32 Cu2 N8 O4 -","1","0.5","GG1183","Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng","Di-μ-cyanato-bis[(cyanato-κ<i>N</i>)(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] and <i>catena</i>-poly[[μ~3~-cyanato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>-bis[(cyanato-κ<i>N</i>)(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')copper(II)]]-μ~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","12","m519","m522","10.1107/S010827010302403X","","","0.71073","MoKα","","0.032","0.03","","","0.081","0.082","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013621","6.711","0.002","6.636","0.002","19.23","0.006","90","","100.049","0.003","90","","843.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[[μ~2~-cyanato-κ^2^N:N-bis[(cyanato-κN)(1,3-diaminopropane- κ^2^N,N')copper(II)]]-μ~3~-cyanato-κ^3^N:N:O]","","- C5 H10 Cu N4 O2 -","- C5 H10 Cu N4 O2 -","- C20 H40 Cu4 N16 O8 -","4","1","GG1183","Luo, Jun; Zhou, Xi-Geng; Weng, Lin-Hong; Hou, Xiu-Feng","Di-μ-cyanato-bis[(cyanato-κ<i>N</i>)(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)] and <i>catena</i>-poly[[μ~3~-cyanato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>-bis[(cyanato-κ<i>N</i>)(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')copper(II)]]-μ~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2003","59","12","m519","m522","10.1107/S010827010302403X","","","0.71073","MoKα","","0.045","0.035","","","0.087","0.09","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013622","6.1652","0.0003","10.2718","0.0005","26.1962","0.0017","90","","90","","90","","1658.95","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonpiperadide","2-phenyl-1,3-bis(piperidin-1-yl)propane-1,3-dione","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.2065","0.0689","","","0.125","0.1774","","","","","","0.936","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013623","8.39","0.0001","10.8464","0.0002","17.0838","0.0004","90","","90","","90","","1554.65","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonmorpholide","1,3-dimorpholino-2-phenylpropane-1,3-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.0438","0.0391","","","0.1012","0.1034","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013624","7.802","0.001","8.622","0.001","9.441","0.001","113.84","0.01","91.18","0.01","109.04","0.01","540.52","0.13","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate","","- C8 H11 N O3 S2 -","- C8 H11 N O3 S2 -","- C16 H22 N2 O6 S4 -","2","1","GG1186","Hartung, Jens; Schwarz, Michaela; Svoboda, Ingrid; Fuess, Hartmut","Uncovering stereochemical relations in a compound with a stereogenic N—O axis: methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate","Acta Crystallographica Section C","2003","59","12","o682","o684","10.1107/S0108270103024077","","","0.71073","MoKα","","0.0407","0.0373","","","0.0987","0.1026","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013625","7.1953","0.0014","8.4763","0.0017","11.811","0.002","84.35","0.03","88.05","0.03","70.06","0.03","673.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","1-(4-chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene","","- C13 H7 Cl F3 N O2 S -","- C13 H7 Cl F3 N O2 S -","- C26 H14 Cl2 F6 N2 O4 S2 -","2","1","GG1187","Daniel E. Lynch; Ian M^c^Clenaghan","1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","Acta Crystallographica Section C","2003","59","11","o641","o643","10.1107/S0108270103021309","","","0.71073","MoKα","","0.094","0.0588","","","0.171","0.2023","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013626","12.335","0.003","9.2477","0.0018","12.929","0.003","90","","108.32","0.03","90","","1400.1","0.6","568","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","","- C13 H7 Cl F3 N O2 S -","- C13 H7 Cl F3 N O2 S -","- C52 H28 Cl4 F12 N4 O8 S4 -","4","1","GG1187","Daniel E. Lynch; Ian M^c^Clenaghan","1-(4-Chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene","Acta Crystallographica Section C","2003","59","11","o641","o643","10.1107/S0108270103021309","","","0.71073","MoKα","","0.1971","0.0833","","","0.1996","0.2576","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013627","6.18","0.001","7.545","0.002","12.425","0.002","91.23","0.03","102.27","0.03","108.8","0.03","533.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Anilinium malate","anilinium monohydrogen (DL)-malate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C20 H26 N2 O10 -","2","1","GG1192","Genivaldo Julio Perpétuo; Jan Janczak","Anilinium monohydrogen <small>DL</small>-malate","Acta Crystallographica Section C","2003","59","12","o709","o711","10.1107/S0108270103023837","","","0.71073","MoKα","","0.0702","0.039","","","0.0939","0.1074","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013628","23.282","0.005","7.728","0.0015","9.674","0.0019","90","","100.1","0.03","90","","1713.6","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(2,5-dimethoxy-4-methylphenyl)methane","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","0.5","GG1194","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.","Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","Acta Crystallographica Section C","2003","59","12","o700","o702","10.1107/S0108270103024673","","","0.71073","MoKα","","0.088","0.048","","","0.137","0.16","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013629","24.321","0.005","6.141","0.0012","15.042","0.003","90","","112.21","0.03","90","","2079.9","0.8","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","0.5","GG1194","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Glass, David R.","Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane","Acta Crystallographica Section C","2003","59","12","o700","o702","10.1107/S0108270103024673","","","0.71073","MoKα","","0.058","0.047","","","0.136","0.148","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013630","13.2377","0.0015","5.3623","0.0004","11.5142","0.0016","90","","109.822","0.01","90","","768.9","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dinicotinamidium squarate","","- C16 H14 N4 O6 -","- C16 H14 N4 O6 -","- C32 H28 N8 O12 -","2","0.5","GG1196","Bulut, Ahmet; Yesilel, Okan Zafer; Dege, Necmi; Icbudak, Hasan; Olmez, Halis; Buyukgungor, Orhan","Dinicotinamidium squarate","Acta Crystallographica Section C","2003","59","12","o727","o729","10.1107/S0108270103025903","","","0.71073","MoKα","","0.054","0.04","","","0.104","0.109","","","","","","0.901","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013631","4.9163","0.0009","10.34","0.002","14.136","0.003","90","","90","","90","","718.6","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs H O7 Si3 -","- Cs O7 Si3 -","- Cs4 O28 Si12 -","4","1","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0326","","","","0.0816","","","","","","0.925","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013632","4.8147","0.0013","8.267","0.002","12.814","0.003","90","","90","","90","","510","0.2","293","2","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","","","- H O5 Rb Si2 -","- O5 Rb Si2 -","- O20 Rb4 Si8 -","4","0.5","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0274","","","","0.0795","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013633","10.825","0.006","18.351","0.01","6.435","0.003","90","","90","","90","","1278.3","1.2","293","2","293","2","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","potassium nitrate","","Niter","- K N O3 -","- K N O3 -","- K16 N16 O48 -","16","2","","Adiwidjaja, Gunadi; Pohl, Dieter","Superstructure of α-phase potassium nitrate","Acta Crystallographica, Section C","2003","59","","i139","i140","10.1107/S0108270103025277","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2013634","7.6207","0.0015","9.2328","0.0018","11.926","0.002","99.46","0.03","105.89","0.03","91.54","0.03","793.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","diammonium tetrahydroxodecaborate monohydrate","","- B10 H14 N2 O19 -","- B10 H14 N2 O19 -","- B20 H28 N4 O38 -","2","1","IZ1036","Lin-Yan Li; Guo-Bao Li; Ming Xiong; Ying-Xia Wang; Jian-Hua Lin","A new hydrated ammonium hydroxyborate, (NH~4~)~2~[B~10~O~14~(OH)~4~]·H~2~O","Acta Crystallographica Section C","2003","59","11","i115","i116","10.1107/S0108270103021152","","","0.71073","MoKα","","0.0525","0.0442","","","0.113","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013635","11.034","0.004","11.582","0.009","24.149","0.007","90","","90","","90","","3086","3","100","1","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0466","","","","0.0953","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013636","11.0652","0.0015","11.7696","0.0019","24.424","0.004","90","","90","","90","","3180.8","0.8","293","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0321","","","","0.0941","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013637","17.6868","0.0007","20.6923","0.0008","20.7567","0.0008","90","","90","","90","","7596.5","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(perchlorato-κ^2^O,O')[28,31,36,39-tetraoxa-1,9,17,25,42- pentaazahexacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane- κ^8^N^1^,N^9^,N^17^,N^42^,O^28^,O^31^,O^36^,O^39^]barium(II) perchlorate","","- C33 H41 Ba Cl2 N5 O12 -","- C33 H41 Ba Cl2 N5 O12 -","- C264 H328 Ba8 Cl16 N40 O96 -","8","1","JZ1570","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer","Acta Crystallographica Section C","2003","59","11","m450","m451","10.1107/S0108270103016901","","","0.71073","MoKα","","0.093","0.048","","","0.078","0.092","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013638","7.631","0.003","10.153","0.004","12.682","0.004","90","","90","","90","","982.6","0.6","96","0.1","96","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0276","0.0234","","","0.0542","0.0563","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013639","8.567","0.002","12.33","0.003","18.343","0.004","90","","90","","90","","1937.6","0.8","96","0.1","96","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C64 H80 N16 O32 S8 -","8","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0459","0.0311","","","0.0857","0.1141","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013640","4.8653","0.001","8.873","0.002","18.739","0.003","90","","90","","90","","809","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.084","0.054","","","0.116","0.128","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013641","5.5381","0.001","8.58","0.002","16.795","0.005","90","","90","","90","","798","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.046","0.036","","","0.092","0.095","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013642","4.899","0.002","18.268","0.006","5.043","0.002","90","","118.39","0.02","90","","397","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C12 H28 O12 -","2","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.033","0.031","","","0.078","0.079","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013643","9.1894","0.001","7.9653","0.0009","15.6683","0.0017","90","","90","","90","","1146.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)cobalt(II)","","- C6 H12 Cl2 Co N4 O2 -","- C6 H12 Cl2 Co N4 O2 -","- C24 H48 Cl8 Co4 N16 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0246","","","0.0562","0.0606","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013644","9.1185","0.0007","7.9344","0.0006","15.5636","0.0012","90","","90","","90","","1126.02","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)nickel(II)","","- C6 H12 Cl2 N4 Ni O2 -","- C6 H12 Cl2 N4 Ni O2 -","- C24 H48 Cl8 N16 Ni4 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0283","","","0.0594","0.0616","","","","","","1.27","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013645","6.71","0.003","6.767","0.004","8.059","0.005","71.51","0.04","84.68","0.05","70.16","0.03","326.4","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^N,O}boron","","- C13 H14 B N3 O -","- C13 H14 B N3 O -","- C13 H14 B N3 O -","1","1","JZ1576","Yongkwan Dong; Hoseop Yun; Chan Sun Park; Won Koo Lee; Hyun-Joon Ha","Dicyano{[(1<i>S</i>)-(1-phenylethyl)aziridin-2-yl]methanolato-κ^2^<i>N</i>,<i>O</i>}boron","Acta Crystallographica Section C","2003","59","12","o659","o660","10.1107/S0108270103022698","","","0.71073","MoKα","","0.0339","0.0326","","","0.0888","0.0902","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013646","19.9194","0.0017","8.6554","0.0007","14.6049","0.0014","90","","91.208","0.007","90","","2517.5","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(18-crown-6)potassium pentaiodide","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium pentaiodide","","- C12 H24 I5 K O6 -","- C12 H24 I5 K O6 -","- C48 H96 I20 K4 O24 -","4","0.5","JZ1580","Pantenburg, Ingo; Müller, Ingrid","Isolated pentaiodide anions in [K(18-crown-6)]I~5~","Acta Crystallographica Section C","2003","59","10","m427","m428","10.1107/S010827010301953X","","","0.71073","MoKα","","0.034","0.024","","","0.054","0.057","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013647","7.0429","0.0008","4.8135","0.0006","10.9047","0.0012","90","","96.885","0.003","90","","367.01","0.07","133","2","133","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Ammonium [(carboxymethyl)thio]acetate","","- C4 H9 N O4 S -","- C4 H9 N O4 S -","- C8 H18 N2 O8 S2 -","2","1","JZ1581","Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew","Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate","Acta Crystallographica Section C","2003","59","11","o656","o658","10.1107/S010827010302287X","","","0.71073","MoKα","","0.026","0.026","","","0.073","0.074","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013648","8.2384","0.0007","10.0582","0.0009","8.9323","0.0008","90","","94.477","0.007","90","","737.9","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(glycylglycinium) oxalate","","- C10 H18 N4 O10 -","- C10 H18 N4 O10 -","- C20 H36 N8 O20 -","2","0.5","LN1172","Ejsmont, Krzysztof; Zaleski, Jacek; Joe, Isaac H.; Jayakumar, Victor S.","Bis(glycylglycinium) oxalate at 100K","Acta Crystallographica Section C","2003","59","10","o553","o555","10.1107/S0108270103018031","","","0.71073","MoKα","","0.034","0.029","","","0.075","0.078","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013649","11.001","0.002","8.307","0.002","13.332","0.003","90","","90.39","0.03","90","","1218.3","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","dibothrioclinin I","(+)-(11R,12S,25R,27S)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","LN1173","Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi","Dibothrioclinin I and II, epimers from <i>Gerbera piloselloides</i> (L.) Cass","Acta Crystallographica Section C","2003","59","10","o593","o595","10.1107/S010827010301864X","","","0.71073","MoKα","","0.054","0.054","","","0.138","0.138","","","","","","1.228","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013650","15.517","0.003","19.411","0.004","7.963","0.002","90","","102.9","0.03","90","","2337.9","0.9","296","2","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibothrioclinin II","(±)-(11RS,12RS,25RS,27SR)-3,3,7,17,21-pentamethyl-4,12,18,26- tetraoxaheptacyclo[15.11.1.0^2,15^.0^5,14^.0^6,11^.0^19,28^.0^20,25^] nonacosa-5(14),6,8,10,19(28),20,22,24-octaene-13,27-dione","","- C30 H28 O6 -","- C30 H28 O6 -","- C120 H112 O24 -","4","1","LN1173","Wang, Cheng; Zheng, Qitai; Lu, Yang; Xiao, Ying; Li, Jianbei; Ding, Yi","Dibothrioclinin I and II, epimers from <i>Gerbera piloselloides</i> (L.) Cass","Acta Crystallographica Section C","2003","59","10","o593","o595","10.1107/S010827010301864X","","","0.71073","MoKα","","0.124","0.057","","","0.134","0.161","","","","","","0.839","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013651","7.254","0.001","24.115","0.003","11.565","0.002","90","","94.22","0.01","90","","2017.6","0.5","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C.I. Pigment Red 266","4-{[4-(aminocarbonyl)phenyl]hydrazono}-N-(2-methoxyphenyl)-3-oxo- 3,4-dihydronaphthalene-2-carboxamide","","- C25 H20 N4 O4 -","- C25 H20 N4 O4 -","- C100 H80 N16 O16 -","4","1","LN1174","Chang, Chia-Hsien; Christie, Robert M.; Rosair, Georgina M.","C.I. Pigment Red 266","Acta Crystallographica Section C","2003","59","10","o556","o558","10.1107/S0108270103017906","","","0.71073","MoKα","","0.0581","0.0418","","","0.101","0.1103","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013652","22.746","0.002","9.699","0.001","23.439","0.003","90","","102.296","0.01","90","","5052.3","1","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-carboxy-1,2-dicarba-1-methoxymethyl-closo-dodecaborane(12)","","- C5 H16 B10 O3 -","- C5 H16 B10 O3 -","- C80 H256 B160 O48 -","16","2","LN1176","Venkatasubramanian, Ulaganathan; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Crystal engineering with heteroboranes. III. 2-Carboxy-1-methoxymethyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2003","59","10","o586","o588","10.1107/S0108270103019048","","","0.71073","MoKα","","0.057","0.047","","","0.121","0.129","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013653","10.6193","0.0002","12.7441","0.001","20.7526","0.0003","72.922","0.009","76.449","0.009","77.159","0.01","2574.1","0.3","193.15","","193.15","","","","","","","","","8","P -1","-P 1","2","","Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^S,S':S'':S''')bis[(cyano-κC)cuprate](2-) acetonitrile solvate monohydrate","","- C52 H45 Cu2 N3 O P2 S4 W -","- C52 H45 Cu2 N3 O P2 S4 W -","- C104 H90 Cu4 N6 O2 P4 S8 W2 -","2","1","LN1179","Qiao, Shan-Bao; Jiao, Chang-Mei; Xu, Qing-Feng; Zhang, Yong; Li, Bao-Long; Lang, Jian-Ping","Bis(tetraphenylphosphonium) (μ-tetrathiotungstenio-κ^4^<i>S</i>,<i>S</i>':<i>S</i>'':<i>S</i>''')bis[(cyano-κ<i>C</i>)cuprate](2‒) acetonitrile solvate monohydrate","Acta Crystallographica Section C","2003","59","11","m465","m466","10.1107/S0108270103022078","","","0.71073","MoKα","","0.0465","0.0388","","","0.0854","0.089","","","","","","1.017","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013654","7.8352","0.0009","10.73","0.0013","13.1342","0.0015","94.222","0.002","99.965","0.002","108.593","0.002","1020.9","0.2","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","2-{[(1Z)-(4-dimethylaminophenyl)methylene]amino}-4,5-dimethyl- N-(2-methylphenyl)thiophene-3-carboxamide","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C46 H50 N6 O2 S2 -","2","1","LN1181","Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2003","59","12","o676","o678","10.1107/S0108270103023205","","","0.71073","MoKα","","0.1735","0.0657","","","0.1005","0.1277","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013655","8.016","0.002","21.255","0.006","25.651","0.007","90","","98.378","0.005","90","","4324","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-({(1E)-[4-(dimethylamino)phenyl]methylene}amino)- N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C25 H27 N3 O S -","- C25 H27 N3 O S -","- C200 H216 N24 O8 S8 -","8","2","LN1181","Vasu; K. A. Nirmala; A. R. Choudhury; S. Mohan; J. Saravanan; T. Narasimhamurthy","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2003","59","12","o676","o678","10.1107/S0108270103023205","","","0.71073","MoKα","","0.0866","0.059","","","0.15","0.1646","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013656","9.3376","0.0014","9.3376","0.0014","6.7321","0.001","90","","90","","120","","508.34","0.13","295","1","295","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0312","","","","0.0542","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013657","9.3108","0.0014","9.3108","0.0014","6.7088","0.001","90","","90","","120","","503.67","0.13","100","1","100","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","- Li O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0242","","","","0.0412","","","","","","1.158","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013658","9.3386","0.001","9.3386","0.001","6.7589","0.0008","90","","90","","120","","510.47","0.1","270","1","270","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0352","","","","0.0532","","","","","","1.203","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013659","9.3274","0.001","9.3274","0.001","6.7554","0.0007","90","","90","","120","","508.98","0.09","100","1","100","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","- Na O26 Si6 Y9 -","1","0.0833333","LN1182","Redhammer, Günther R.; Roth, G.","Lithium and sodium yttrium orthosilicate oxyapatite, LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near room temperature","Acta Crystallographica Section C","2003","59","12","i120","i124","10.1107/S0108270103023321","","","0.71073","MoKα","","","0.0356","","","","0.0566","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013660","4.735","0.001","12.516","0.002","26.48","0.003","90","","90","","90","","1569.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0562","0.0498","","","0.1615","0.1642","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013661","36.708","0.004","6.974","0.001","6.03","0.001","90","","90","","90","","1543.7","0.4","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0461","0.0338","","","0.0874","0.0887","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013662","8.569","0.001","7.913","0.001","13.002","0.001","90","","93.21","0.01","90","","880.24","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sperminium tetrachloride","1,5,10,14-tetraazoniatetradecane tetrachloride","","- C10 H30 Cl4 N4 -","- C10 H30 Cl4 N4 -","- C20 H60 Cl8 N8 -","2","0.5","NA1618","Pospieszna-Markiewicz, Izabela; Kubicki, Maciej","Redetermination of sperminium tetrachloride","Acta Crystallographica Section C","2003","59","12","o664","o665","10.1107/S0108270103023655","","","0.71073","MoKα","","0.0581","0.03","","","0.0476","0.0532","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013663","18.8968","0.0004","18.8989","0.0004","8.7038","0.0002","90","","90","","90","","3108.38","0.12","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","NA1621","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section C","2003","59","12","o666","o668","10.1107/S0108270103023606","","","0.71073","MoKα","","0.0595","0.0466","","","0.1081","0.1163","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013664","5.0422","0.0014","8.016","0.003","9.284","0.003","90","","90","","90","","375.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","acetamideoxime","N-hydroxyethanimidamide","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","NA1623","Marilyn M. Olmstead; Javad J. Sahbari","Acetamidoxime","Acta Crystallographica Section C","2003","59","12","o719","o720","10.1107/S0108270103025587","","","1.54178","CuKα","","0.0285","0.0284","","","0.0722","0.0723","","","","","","1.264","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013665","9.1099","0.0009","8.8472","0.0013","11.0093","0.0011","90","","110.182","0.006","90","","832.84","0.17","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","betainohydroxamic acid","N-hydroxy-2-(trimethylammonio)acetamide chloride","","- C5 H13 Cl N2 O2 -","- C5 H13 Cl N2 O2 -","- C20 H52 Cl4 N8 O8 -","4","1","NA1624","Matković-Čalogović, Dubravka; Biruš, Mladen; Bešić, Erim; Gabričević, Mario","Betainohydroxamic acid chloride","Acta Crystallographica Section C","2003","59","12","o694","o695","10.1107/S0108270103024867","","","0.71073","MoKα","","0.049","0.029","","","0.076","0.082","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013666","12.045","0.003","13.367","0.004","19.886","0.005","74.86","0.01","87.99","0.01","64.23","0.01","2771.9","1.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Tris[diphenyl(2-pyridyl)phosphine]-μ~3~-iodo-tri-μ~3~-sulfido- sulfidotrisilvertungsten dichloromethane hemisolvate","","- C51.5 H43 Ag3 Cl I N3 P3 S4 W -","- C51.5 H43 Ag3 Cl I N3 P3 S4 W -","- C103 H86 Ag6 Cl2 I2 N6 P6 S8 W2 -","2","1","OB1133","Wang, Yan; Li, Yi-Zhi; Jin, Qiong-Hua; Zheng, He-Gen; Hu, Zheng; Xin, Xin-Quan","Tris[diphenyl(2-pyridyl)phosphine]-μ~3~-iodo-tri-μ~3~-sulfido-sulfidotrisilvertungsten dichloromethane hemisolvate","Acta Crystallographica Section C","2003","59","10","m390","m391","10.1107/S0108270103017645","","","0.71073","MoKα","","0.0393","0.0353","","","0.0897","0.0906","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013667","20.8644","0.0016","16.6147","0.0013","19.715","0.0014","90","","96.321","0.005","90","","6792.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H89 Li N6 O9 U -","- C71 H89 Li N6 O9 U -","- C284 H356 Li4 N24 O36 U4 -","4","1","OB1134","Thuéry, Pierre; Takemura, Hiroyuki","A uranyl ion complex of <i>N</i>-methyl-<i>p</i>-<i>tert</i>-butyldihomoammoniocalix[4]arene with diaquadipyridinelithium as counter-ion","Acta Crystallographica Section C","2003","59","10","m384","m386","10.1107/S0108270103015786","","","0.71073","MoKα","","0.1198","0.0582","","","0.106","0.126","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013668","15.534","0.001","17.448","0.002","8.2424","0.0007","90","","93.256","0.004","90","","2230.4","0.3","173.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H22 F12 N4 P2 Pt -","- C16 H22 F12 N4 P2 Pt -","- C64 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0321","","","","0.077","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013669","7.3142","0.0005","18.2738","0.0005","18.4925","0.0005","90","","90","","90","","2471.67","0.19","293.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F12 N4 P2 Pt -","- C18 H22 F12 N4 P2 Pt -","- C72 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0474","","","","0.1051","","","","","","1.256","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013670","10.718","0.005","14.292","0.007","12.192","0.006","90","","101.119","0.007","90","","1832.5","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[(μ-dihydrogen-1,2,4,5-benzenetetracarboxylato-1:2κ^2^O^1^:O^3^) (1,10-phenanthroline-κ^2^N,N')copper(II)]","","- C22 H12 Cu N2 O8 -","- C22 H12 Cu N2 O8 -","- C88 H48 Cu4 N8 O32 -","4","0.5","OB1146","Hu, Mao-Lin; Xiao, Hong-Ping; Wang, Shun; Li, Xin-Hua","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-(dihydrogen benzene-1,2,4,5-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section C","2003","59","11","m454","m455","10.1107/S0108270103021097","","","0.71073","MoKα","","0.061","0.041","","","0.093","0.1","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013671","25.732","0.0006","18.3516","0.0004","17.5412","0.0004","90","","90","","90","","8283.4","0.3","120","2","120","2","","","","","","","","7","C m c a","-C 2ac 2","64","","Bis(acetonitrile-κN)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazatetradecane- κ^4^N]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","","- C78 H54 B2 Cu F48 N6 O0.31 -","- C78 H54 B2 Cu F48 N6 O0.32 -","- C312 H216 B8 Cu4 F192 N24 O1.28 -","4","","SK1648","Janet M. S. Skakle; Marcus V. D. Rangel e Silva; James L. Wardell; Solange M. S. V. Wardell","Bis(acetonitrile-κ<i>N</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazatetradecane-κ^4^<i>N</i>]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","Acta Crystallographica Section C","2003","59","10","m413","m415","10.1107/S0108270103016743","","","0.71073","MoKα","","0.0752","0.0489","","","0.125","0.1389","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013672","8.851","0.0002","8.851","0.0002","44.886","0.0008","90","","90","","120","","3045.27","0.11","293","","293","","","","","","","","","5","P 32 2 1","P 32 2""","154","Pergolide mesylate","8β-[(methylsulfanyl)methyl]-6-propylergolinium methanesulfonate","","- C20 H30 N2 O3 S2 -","- C20 H30 N2 O3 S2 -","- C120 H180 N12 O18 S12 -","6","1","SK1650","Jegorov, Alexandr; Horák, Zdeněk; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana","Pergolide mesylate form II","Acta Crystallographica Section C","2003","59","10","o575","o576","10.1107/S0108270103017499","","","0.71073","MoKα","","0.0434","0.0304","","0.0413","0.0343","0.0343","","","","","","1.1514","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013673","16.899","0.003","3.935","0.0006","9.4105","0.0015","90","","103.103","0.003","90","","609.48","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","barium titanate oxide","monobarium dititanium pentaoxide","","- Ba O5 Ti2 -","- Ba O5 Ti2 -","- Ba6 O30 Ti12 -","6","1.5","SK1654","Kimura, Teiichi; Goto, Takashi; Yamane, Hisanori; Iwata, Hiroaki; Kajiwara, Takashi; Akashi, Takaya","A ferroelectric barium titanate, BaTi~2~O~5~","Acta Crystallographica Section C","2003","59","12","i128","i130","10.1107/S0108270103021395","","","0.71073","MoKα","","0.0462","0.045","","","0.1113","0.1121","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013674","5.3408","0.0009","16.286","0.002","19.721","0.003","90","","90.48","0.01","90","","1715.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Rubidium triflate","Lithium dirubidium tris(trifluoromethylsulfonate)","","- C3 F9 Li O9 Rb2 S3 -","- C3 F9 Li O9 Rb2 S3 -","- C12 F36 Li4 O36 Rb8 S12 -","4","1","SK1657","Pompetzki, M.; Friese, K.; Jansen, M.","Twinned α-LiRb~2~(CF~3~SO~3~)~3~","Acta Crystallographica Section C","2003","59","12","i117","i119","10.1107/S0108270103021693","","","0.71069","MoKα","","0.128","0.068","","","0.061","0.061","","","","","","4.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013675","9.6465","0.0006","10.7694","0.0007","5.0583","0.0003","90","","90","","90","","525.49","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dinitroguanidine","","- C H3 N5 O4 -","- C H3 N5 O4 -","- C4 H12 N20 O16 -","4","1","SK1658","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1,2-Dinitroguanidine","Acta Crystallographica Section C","2003","59","10","o550","o552","10.1107/S0108270103017098","","","1.5406","CuKα","","0.025","0.024","","","0.065","0.066","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013676","8.364","0.006","8.364","0.006","12.286","0.01","90","","90","","120","","744.3","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","cadmium zinc borate","tricadmium trizinc tetraborate","","- B4 Cd3 O12 Zn3 -","- B4 Cd3 O12 Zn3 -","- B12 Cd9 O36 Zn9 -","3","0.166667","SK1661","Sun, Tongqing; Pan, Feng; Wang, Ruji; Shen, Guangqiu; Wang, Xiaoqing; Shen, Dezhong","A non-linear optical crystal, Cd~3~Zn~3~(BO~3~)~4~","Acta Crystallographica Section C","2003","59","11","i107","i108","10.1107/S0108270103020390","","","0.71073","MoKα","","0.06","0.052","","","0.113","0.121","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013677","15.6188","0.0005","4.7253","0.0001","19.7669","0.0007","90","","104.082","0.0012","90","","1415.02","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Iodo-4-nitrophenyl)-4-iodobenzamide","","- C13 H8 I2 N2 O3 -","- C13 H8 I2 N2 O3 -","- C52 H32 I8 N8 O12 -","4","1","SK1666","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Bilayers in 4-iodo-<i>N</i>-(2-iodo-4-nitrophenyl)benzamide generated by a combination of an N—H···O=C hydrogen bond and two independent iodo‒nitro interactions","Acta Crystallographica Section C","2003","59","11","o636","o637","10.1107/S0108270103021164","","","0.71073","MoKα","","0.045","0.034","","","0.069","0.074","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013678","8.404","0.003","14.392","0.002","11.167","0.002","90","","97.42","0.02","90","","1339.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylphosphinato-κ^3^N,O,N')copper(II) dichloromethane disolvate","","- C22 H20 Cl4 Cu N4 O4 P2 -","- C22 H20 Cl4 Cu N4 O4 P2 -","- C44 H40 Cl8 Cu2 N8 O8 P4 -","2","0.5","SK1667","Michael Yen-Nan Chiang; Jing-Yun Wu; Wen-Feng Zeng; Duan-Jun Xu","Bis(di-2-pyridylphosphinato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')copper(II) dichloromethane disolvate","Acta Crystallographica Section C","2003","59","12","m523","m525","10.1107/S0108270103023631","","","0.71073","MoKα","","0.065","0.033","","","0.089","0.102","","","","","","1.042","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013679","12.0121","0.0002","10.5379","0.0002","20.8249","0.0006","90","","94.755","0.0008","90","","2626.99","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminobenzimidazolium O-ethyl malonate","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C96 H120 N24 O32 -","8","2","SK1668","Low, John N.; Cobo, Justo; Abonia, Rodrigo; Insuasty, Braulio; Glidewell, Christopher","2-Aminobenzimidazolium <i>O</i>-ethyl malonate: eight independent N—H···O hydrogen bonds generate sheets","Acta Crystallographica Section C","2003","59","12","o669","o671","10.1107/S0108270103023333","","","0.71073","MoKα","","0.0928","0.0605","","","0.1504","0.1707","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013680","10.4641","0.0002","16.3479","0.0003","11.011","0.0002","90","","102.414","0.0011","90","","1839.57","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","SK1671","Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony","3-(4-Chlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine","Acta Crystallographica Section C","2003","59","12","o703","o705","10.1107/S0108270103023540","","","0.71073","MoKα","","0.0639","0.0465","","","0.119","0.1307","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013681","9.5888","0.0002","19.0878","0.0004","10.6508","0.0002","90","","90.758","0.0013","90","","1949.24","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2,4-Dichlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine","","- C23 H18 Cl2 N2 O -","- C23 H18 Cl2 N2 O -","- C92 H72 Cl8 N8 O4 -","4","1","SK1671","Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony","3-(4-Chlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine","Acta Crystallographica Section C","2003","59","12","o703","o705","10.1107/S0108270103023540","","","0.71073","MoKα","","0.0597","0.0414","","","0.1047","0.1165","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013682","10.59","0.004","11.49","0.003","11.344","0.005","90","","116.58","0.03","90","","1234.4","0.8","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate","","- C8 H19 N O7 P2 -","- C8 H19 N O7 P2 -","- C32 H76 N4 O28 P8 -","4","1","SK1672","Fernández, Daniel; Vega, Daniel","Head-to-head dimers in the zwitterion of 1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate (PHPBP)","Acta Crystallographica Section C","2003","59","12","o661","o663","10.1107/S0108270103023710","","","0.71069","MoKα","","0.041","0.034","","","0.088","0.092","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013683","7.2545","0.0001","13.5417","0.0002","23.6387","0.0004","90","","90","","90","","2322.22","0.06","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate","","- C27 H34 F N3 O2 -","- C27 H34 F N3 O2 -","- C108 H136 F4 N12 O8 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0595","0.0431","","","0.0936","0.1027","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013684","7.099","0.0002","14.8153","0.0004","20.2961","0.0004","90","","90","","90","","2134.62","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-ol","","- C25 H32 F N3 O -","- C25 H32 F N3 O -","- C100 H128 F4 N12 O4 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0493","0.0374","","","0.085","0.0915","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013685","5.0809","0.0002","17.9228","0.0009","24.5005","0.0011","90","","90","","90","","2231.11","0.17","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Alanyl-L-methionine hemihydrate","","- C8 H17 N2 O3.5 S -","- C8 H17 N2 O3.5 S -","- C64 H136 N16 O28 S8 -","8","2","SK1679","Görbitz, Carl Henrik","Water polymers in <small>L</small>-alanyl-<small>L</small>-methionine hemihydrate","Acta Crystallographica Section C","2003","59","12","o730","o732","10.1107/S0108270103025782","","","0.71073","MoKα","","0.0595","0.0402","","","0.0844","0.0901","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013686","9.226","0.0018","16.181","0.003","16.862","0.003","90","","97.55","0.03","90","","2495.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O -","- C28 H37 N3 O -","- C112 H148 N12 O4 -","4","1","SQ1020","Vladimir N. Nesterov; Tatiana V. Timofeeva; Sergey S. Sarkisov; Alexander Leyderman; Charles Y.-C. Lee; Mikhail Yu. Antipin","3,5-Bis[4-(diethylamino)benzylidene]-1-methyl-4-piperidone and 3,5-bis[4-(diethylamino)cinnamylidene]-1-methyl-4-piperidone: prospective biophotonic materials","Acta Crystallographica Section C","2003","59","11","o605","o608","10.1107/S0108270103020237","","","0.71073","MoKα","","0.1415","0.0525","","","0.1125","0.1328","","","","","","1.186","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013687","20.5823","0.0018","20.5823","0.0018","26.794","0.004","90","","90","","90","","11351","2","110","2","110","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H41 N3 O -","- C32 H41 N3 O -","- C512 H656 N48 O16 -","16","1","SQ1020","Vladimir N. Nesterov; Tatiana V. Timofeeva; Sergey S. Sarkisov; Alexander Leyderman; Charles Y.-C. Lee; Mikhail Yu. Antipin","3,5-Bis[4-(diethylamino)benzylidene]-1-methyl-4-piperidone and 3,5-bis[4-(diethylamino)cinnamylidene]-1-methyl-4-piperidone: prospective biophotonic materials","Acta Crystallographica Section C","2003","59","11","o605","o608","10.1107/S0108270103020237","","","0.71073","MoKα","","0.1405","0.0676","","","0.1634","0.1909","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013688","22.361","0.006","7.939","0.002","31.754","0.009","90","","98.621","0.005","90","","5573","3","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C49.196 H24 B Cl6.392 D2.392 F20 Li N4 Pd2 -","- C49.196 H25.274 B Cl6.392 D1.118 F20 Li N4 Pd2 -","- C196.784 H101.096 B4 Cl25.568 D4.472 F80 Li4 N16 Pd8 -","4","1","SQ1023","Han Shen; Ian M. Steele; Richard F. Jordan","Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^<i>N</i>,3κ^2^<i>N</i>-lithium(I)dipalladium(II) tetrakis(pentafluorophenyl)borate dichloromethane 1.196-solvate","Acta Crystallographica Section C","2003","59","10","m405","m406","10.1107/S0108270103018365","","","0.71073","MoKα","","0.083","0.0764","","","0.1783","0.1817","","","","","","1.246","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013689","10.2034","0.0004","10.755","0.0002","14.0941","0.0005","93.987","0.002","102.148","0.002","103.93","0.002","1455.73","0.08","296","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Au N5 O4 P -","- C30 H23 Au N5 O4 P -","- C60 H46 Au2 N10 O8 P2 -","2","1","SQ1026","Hörner, Manfredo; Casagrande, Ivan Carlos; Fenner, Herton; Daniels, Jörg; Beck, Johannes","[1,3-Bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I)","Acta Crystallographica Section C","2003","59","10","m424","m426","10.1107/S0108270103018481","","","0.71073","MoKα","","","0.047","","","","0.133","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013690","7.0284","0.001","12.935","0.002","13.197","0.002","90","","90","","90","","1199.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(dicyanamido)(diethylenetriamine-κ^3^N)copper(II)","","- C8 H13 Cu N9 -","- C8 H13 Cu N9 -","- C32 H52 Cu4 N36 -","4","1","SQ1027","Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou","Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide","Acta Crystallographica Section C","2003","59","10","m392","m395","10.1107/S0108270103017621","","","0.71073","MoKα","","0.0268","0.0254","","","0.0585","0.0591","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013691","7.4132","0.0011","15.17","0.002","13.312","0.002","90","","101.881","0.002","90","","1465","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dicyanamido)(triethylenetetramine-κ^4^N)copper(II) dicyanamide","","- C10 H18 Cu N10 -","- C10 H18 Cu N10 -","- C40 H72 Cu4 N40 -","4","1","SQ1027","Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou","Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide","Acta Crystallographica Section C","2003","59","10","m392","m395","10.1107/S0108270103017621","","","0.71073","MoKα","","0.0428","0.035","","","0.0838","0.0869","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013692","7.371","0.002","12.139","0.005","28.274","0.011","90","","90","","90","","2529.9","1.6","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(IV)","","- C8 H8 Br3 N O2 Te -","- C8 H8 Br3 N O2 Te -","- C64 H64 Br24 N8 O16 Te8 -","8","2","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.041","0.035","","","0.085","0.087","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013693","11.291","0.006","12.788","0.005","14.332","0.007","90","","112.62","0.03","90","","1910.2","1.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^C^1^,O)tellurium(II)","","- C8 H8 Br N O Te -","- C8 H8 Br N O Te -","- C64 H64 Br8 N8 O8 Te8 -","8","1","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.051","0.04","","","0.12","0.123","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013694","14.175","0.004","9.582","0.002","15.433","0.004","90","","95.7","0.02","90","","2085.8","0.9","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(II)","","- C8 H8 Br N O2 Te -","- C8 H8 Br N O2 Te -","- C64 H64 Br8 N8 O16 Te8 -","8","1","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.11","0.043","","","0.076","0.104","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013695","9.968","0.0013","7.972","0.0017","10.056","0.002","90","","90","","90","","799.1","0.3","293","1","293","1","","","","","","","","3","C m c m","-C 2c 2","63","","Trisamarium digallide tristannide","","- Ga1.89 Sm3 Sn3.11 -","- Ga1.893 Sm3 Sn3.107 -","- Ga7.572 Sm12 Sn12.428 -","4","0.25","SQ1031","Tokaychuk, Yaroslav O.; Filinchuk, Yaroslav E.; Fedorchuk, Anatoliy O.; Bodak, Oksana I.","Partial Sn-atom ordering in Sm~3~Ga~0.80{‒~2.48}Sn~4.20{‒~2.52}","Acta Crystallographica Section C","2003","59","12","i125","i127","10.1107/S0108270103024776","","","0.71069","MoKα","","0.031","0.024","","","0.052","0.053","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013696","5.9404","0.0001","8.2158","0.0001","5.7229","0.0001","90","","90","","90","","279.307","0.008","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum Indium Oxide","","- In La O3 -","- In La O3 -","- In4 La4 O12 -","4","0.5","SQ1033","Park, Hyun Min; Lee, Hwack Joo; Park, Sang Hyun; Yoo, Han Ill","Lanthanum indium oxide from X-ray powder diffraction","Acta Crystallographica Section C","2003","59","12","i131","i132","10.1107/S0108270103024806","","","1.5418","CuKα","","0.0304","","","","","","","","0.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013697","7.3186","0.0008","7.3934","0.0008","14.5131","0.0016","79.33","0.002","78.867","0.002","62.067","0.002","676.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-2-Bromo-1,1'-biphenyl)tricarbonylchromium","","- C15 H9 Br Cr O3 -","- C15 H9 Br Cr O3 -","- C30 H18 Br2 Cr2 O6 -","2","1","SQ1136","Czerwinski, Curtis J.; Guzei, Ilia A.; Cordes, Tanya J.; Czerwinski, Kevin M.; Mlodik, Nevin A.","(η^6^-2-Bromo-1,1'-biphenyl)tricarbonylchromium","Acta Crystallographica Section C","2003","59","12","m499","m500","10.1107/S010827010302362X","","","0.71073","MoKα","","0.038","0.034","","","0.097","0.099","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013698","5.5273","0.0005","13.4315","0.0013","26.074","0.002","90","","90","","90","","1935.7","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0561","0.0497","","","0.1315","0.1353","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013699","6.0077","0.0007","15.4106","0.0014","11.0654","0.0013","90","","96.066","0.002","90","","1018.72","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 I O5 -","- C21 H21 I O5 -","- C42 H42 I2 O10 -","2","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0379","0.0284","","","0.0625","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013700","15.9236","0.0007","12.4044","0.0006","11.4378","0.0005","90","","123.516","0.002","90","","1883.59","0.15","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Ca N2 O14 P4 -","- C8 H24 Ca N2 O14 P4 -","- C32 H96 Ca4 N8 O56 P16 -","4","0.5","SQ1139","Fernández, Daniel; Vega, Daniel; Goeta, Andrés","Alendronate zwitterions bind to calcium cations arranged in columns","Acta Crystallographica Section C","2003","59","12","m543","m545","10.1107/S0108270103025599","","","0.71073","MoKα","","","0.0363","","","","0.0943","","","","","","1.224","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013701","10.748","0.0004","5.895","0.0002","20.465","0.0008","90","","97.03","0.002","90","","1286.9","0.08","173","2","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","(Z)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SX1126","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Hydroxy-4-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2003","59","11","o647","o649","10.1107/S0108270103022339","","","0.71073","MoKα","","0.096","0.054","","","0.105","0.119","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013702","12.1121","0.0005","22.6847","0.0009","11.873","0.0005","90","","90","","90","","3262.2","0.2","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Dihydroxydiphthalatotricobalt(II)","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C128 H80 Co24 O80 -","8","1","TA1414","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Polymeric dihydroxydiphthalatotricobalt(II)","Acta Crystallographica Section C","2003","59","11","m456","m458","10.1107/S0108270103021425","","","0.71073","MoKα","","0.059","0.042","","","0.101","0.104","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013703","6.307","0.001","6.307","0.001","13.615","0.003","90","","90","","90","","541.58","0.17","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate]","","- Co H8 O14 P2 V2 -","- Co H8 O14 P2 V2 -","- Co2 H16 O28 P4 V4 -","2","0.125","TA1416","Bi-Zhou Lin; Xiao-Ke Pei; Pei-De Liu","Tetraaquacobalt(II) bis[vanadyl(IV) phosphate], [Co(H~2~O)~4~][VO(PO~4~)]~2~","Acta Crystallographica Section C","2003","59","10","i97","i99","10.1107/S0108270103017219","","","0.71069","MoKα","","0.0325","0.0309","","","0.0856","0.0867","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013704","12.4386","0.0019","12.4386","0.0019","12.4386","0.0019","90","","90","","90","","1924.5","0.5","296","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dimagnesium trivanadium tridecaoxide","","- Ca2 Mg2 Na O12 V3 -","- Ca2.0001 Mg2 Na0.9999 O12 V3 -","- Ca16.0008 Mg16 Na7.9992 O96 V24 -","8","0.0833333","TA1417","Nakatsuka, Akihiko; Ikuta, Yasuaki; Yoshiasa, Akira; Iishi, Kazuake","Vanadate garnet, Ca~2~NaMg~2~V~3~O~12~","Acta Crystallographica Section C","2003","59","12","i133","i135","10.1107/S0108270103023035","","","0.71069","MoKα","","","0.011","","","","0.01","","","","","","1.58","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013705","27.574","0.007","9.018","0.004","16.974","0.003","90","","125.23","0.02","90","","3448","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[[[tetraaquamagnesium(I)]-μ-4,4'-bipyridine-κ^2^N:N'] diiodide bis(4,4'-bipyridine) solvate]","","- C30 H32 I2 Mg N6 O4 -","- C30 H32 I2 Mg N6 O4 -","- C120 H128 I8 Mg4 N24 O16 -","4","0.5","TA1418","Skelton, Brian W.; Waters, A. Fiona; Whitaker, Claire R.; White, Allan H.","Magnesium iodide‒4,4'-bipyridine‒water (1/3/4) and strontium iodide‒4,4'-bipyridine‒propan-1-ol (1/2.5/2)","Acta Crystallographica Section C","2003","59","11","m435","m438","10.1107/S0108270103020407","","","0.71073","MoKα","","0.059","0.04","","0.056","","0.052","","","1.119","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013706","15.365","0.002","12.392","0.002","20.979","0.002","90","","118.493","0.008","90","","3510.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[[μ-4,4'-bipyridine-bis[diiodobis(propan-1-ol)strontium(I)]]- di-μ-4,4'-bipyridine-κ^4^N:N'] bis(4,4'-bipyridine) solvate] [Sr~2~I~4~(C~10~H~8~N~2~)~3~(C~3~H~8~O)~4~].2C~10~H~8~N~2~","","- C62 H72 I4 N10 O4 Sr2 -","- C62 H72 I4 N10 O4 Sr2 -","- C124 H144 I8 N20 O8 Sr4 -","2","0.5","TA1418","Skelton, Brian W.; Waters, A. Fiona; Whitaker, Claire R.; White, Allan H.","Magnesium iodide‒4,4'-bipyridine‒water (1/3/4) and strontium iodide‒4,4'-bipyridine‒propan-1-ol (1/2.5/2)","Acta Crystallographica Section C","2003","59","11","m435","m438","10.1107/S0108270103020407","","","0.71073","MoKα","","0.077","0.044","","0.057","","0.05","","","1.162","","","1.259","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013707","8.6623","0.0003","18.6501","0.0007","16.7546","0.0006","90","","92.68","0.001","90","","2703.79","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)]","","- C28 H20 N2 O8 Ru2 -","- C28 H20 N2 O8 Ru2 -","- C112 H80 N8 O32 Ru8 -","4","1","TA1419","Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H.","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","Acta Crystallographica Section C","2003","59","12","m537","m539","10.1107/S0108270103023709","","","0.71073","MoKα","","0.033","0.026","","0.041","","0.039","","","1.113","","","1.133","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013708","9.211","0.002","9.292","0.002","15.266","0.004","105.28","0.006","94.669","0.006","111.726","0.006","1147.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","","- C18 H10 F6 N2 O8 Ru2 -","- C18 H10 F6 N2 O8 Ru2 -","- C36 H20 F12 N4 O16 Ru4 -","2","1","TA1419","Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H.","Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]","Acta Crystallographica Section C","2003","59","12","m537","m539","10.1107/S0108270103023709","","","0.71073","MoKα","","0.039","0.033","","0.064","","0.06","","","1.069","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013709","9.776","0.002","8.211","0.002","10.224","0.002","90","","99.75","0.03","90","","808.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dibismuth oxalate hexahydrate","tetraaquatri-μ-oxalato-dibismuth(III) dihydrate","","- C6 H12 Bi2 O18 -","- C6 Bi2 O18 -","- C12 Bi4 O36 -","2","0.5","TA1420","Kolitsch, Uwe","Two bismuth oxalate hydrates and revision of their chemical formulae","Acta Crystallographica Section C","2003","59","12","m501","m504","10.1107/S0108270103023618","","","0.71073","MoKα","","0.0224","0.0191","","","0.0464","0.0476","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013710","9.194","0.002","9.458","0.002","11.176","0.002","101.15","0.03","101.76","0.03","106.17","0.03","880.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bismuth oxalate octahydrate","tetraaquatri-μ-oxalato-dibismuth(III) tetrahydrate","","- C6 H16 Bi2 O20 -","- C6 Bi2 O20 -","- C12 Bi4 O40 -","2","1","TA1420","Kolitsch, Uwe","Two bismuth oxalate hydrates and revision of their chemical formulae","Acta Crystallographica Section C","2003","59","12","m501","m504","10.1107/S0108270103023618","","","0.71073","MoKα","","0.0398","0.0276","","","0.0627","0.0671","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013711","8.4727","0.001","10.2699","0.001","8.0696","0.001","90","","116.17","0.002","90","","630.19","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cu N4 O6 S2 -","- C4 H16 Cu N4 O6 S2 -","- C8 H32 Cu2 N8 O12 S4 -","2","0.5","TA1422","Kim, Yang; Skelton, Brian W.; White, Allan H.","<i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate","Acta Crystallographica Section C","2003","59","12","m546","m548","10.1107/S0108270103025447","","","0.71073","MoKα","","0.027","0.023","","0.032","","0.031","","","1.067","","","1.1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013712","15.5","0.002","7.098","0.001","7.224","0.001","90","","90","","90","","794.78","0.19","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H24 Cu N4 O8 S2 -","- C6 H24 Cu N4 O8 S2 -","- C12 H48 Cu2 N8 O16 S4 -","2","0.25","TA1422","Kim, Yang; Skelton, Brian W.; White, Allan H.","<i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate","Acta Crystallographica Section C","2003","59","12","m546","m548","10.1107/S0108270103025447","","","0.71073","MoKα","","0.039","0.035","","0.042","","0.041","","","1.178","","","1.206","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013713","11.619","0.001","14.109","0.003","23.517","0.003","90","","90","","90","","3855.2","1","296","2","296","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","cis-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","","- C11 H27 Cl5 Co N5 Zn -","- C11 H27 Cl5 Co N5 Zn -","- C88 H216 Cl40 Co8 N40 Zn8 -","8","1","TA1423","Bernhardt, Paul V.; Macpherson, Brendan P.","Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","Acta Crystallographica Section C","2003","59","11","m467","m470","10.1107/S0108270103021711","","","0.71073","MoKα","","0.029","0.022","","","0.054","0.056","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013714","11.9431","0.0009","12.167","0.001","13.967","0.0007","90","","99.165","0.007","90","","2003.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","","- C11 H27 Cl5 Co N5 Zn -","- C11 H27 Cl5 Co N5 Zn -","- C44 H108 Cl20 Co4 N20 Zn4 -","4","1","TA1423","Bernhardt, Paul V.; Macpherson, Brendan P.","Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","Acta Crystallographica Section C","2003","59","11","m467","m470","10.1107/S0108270103021711","","","0.71073","MoKα","","0.061","0.034","","","0.083","0.095","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013715","7.4158","0.0005","8.9373","0.0008","16.228","0.002","90","","100.218","0.007","90","","1058.49","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-cyano(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate) hydrate","","- C12 H29 Cl2 Co N6 O9 -","- C12 H29 Cl2 Co N6 O9 -","- C24 H58 Cl4 Co2 N12 O18 -","2","1","TA1425","Bernhardt, Paul V.; Macpherson, Brendan P.","<i>trans</i>-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and <i>trans</i>-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)","Acta Crystallographica Section C","2003","59","12","m533","m536","10.1107/S0108270103023370","","","0.71073","MoKα","","0.032","0.029","","","0.072","0.075","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013716","14.817","0.005","9.535","0.002","15.409","0.008","90","","115.91","0.03","90","","1958.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate)","","- C11 H28 Cl2 Co N5 O9 -","- C11 H28 Cl2 Co N5 O9 -","- C44 H112 Cl8 Co4 N20 O36 -","4","1","TA1425","Bernhardt, Paul V.; Macpherson, Brendan P.","<i>trans</i>-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and <i>trans</i>-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)","Acta Crystallographica Section C","2003","59","12","m533","m536","10.1107/S0108270103023370","","","0.71073","MoKα","","0.081","0.049","","","0.124","0.142","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013717","6.0043","0.0013","11.048","0.0018","23.763","0.003","101.882","0.014","91.135","0.013","95.216","0.012","1535","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[(2,2-Dimethyl-1,3-propanediamine-κ^2^N,N')(piperidine-2-carboxylato- κ^2^N,O)platinum(II)] sulfate","","- C22 H48 N6 O8 Pt2 S -","- C22 H48 N6 O8 Pt2 S -","- C44 H96 N12 O16 Pt4 S2 -","2","1","TA1426","Rita Song; Kwan Mook Kim; Youn Soo Sohn","Bis[(2,2-dimethyl-1,3-propanediamine-κ^2^<i>N</i>,<i>N</i>')(piperidine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)] sulfate","Acta Crystallographica Section C","2003","59","12","m555","m557","10.1107/S0108270103025678","","","0.71073","MoKα","","0.046","0.0267","","","0.0599","0.0645","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013718","10.3152","0.0013","13.5764","0.0017","13.8415","0.0018","90","","96.345","0.002","90","","1926.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H46 F6 N2 O2 P2 Pd -","- C37 H46 F6 N2 O2 P2 Pd -","- C74 H92 F12 N4 O4 P4 Pd2 -","2","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0316","0.0296","","","0.0735","0.0743","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013719","10.2172","0.0013","13.358","0.0018","22.858","0.003","90","","90","","90","","3119.7","0.7","83","2","83","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N2 O2 P Pd -","- C32 H37 Cl2 N2 O2 P Pd -","- C128 H148 Cl8 N8 O8 P4 Pd4 -","4","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0422","0.036","","","0.0723","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013720","6.9776","0.0014","11.779","0.002","15.997","0.003","90","","90","","90","","1314.8","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H12 B2 F2 Ge3 N2 O9 -","- C4 H12 B2 F2 Ge3 N2 O9 -","- C16 H48 B8 F8 Ge12 N8 O36 -","4","0.5","TR1066","Li, Yang-feng; Zou, Xiaodong","(C~4~N~2~H~12~)[(GeO~2~)~3~(BO~1.5~F)~2~], a layered borogermanate containing three- and nine-membered rings","Acta Crystallographica Section C","2003","59","11","m471","m472","10.1107/S0108270103021747","","","0.71073","MoKα","","0.0254","0.0192","","","0.0442","0.0455","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013721","6.447","0.003","9.942","0.004","6.455","0.003","90","","115.148","0.007","90","","374.5","0.3","150","2","150","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","hexaaquamagnesium(II) benzene-1,2,4,5-tetracarboxylate(2-)","","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","1","0.25","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0661","0.0608","","","0.1641","0.1705","","","","","","1.171","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013722","6.6497","0.0004","19.1205","0.001","6.6971","0.0004","90","","116.865","0.002","90","","759.61","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentaaqua[benzene-1,2,4,5-tetracarboxylate(2-)]barium(II)","","- C10 H14 Ba O13 -","- C10 H14 Ba O13 -","- C20 H28 Ba2 O26 -","2","0.5","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0164","0.015","","","0.0326","0.0331","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013723","15.6289","0.0008","21.264","0.0011","17.1852","0.0009","90","","112.134","0.002","90","","5290.3","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonaaquapenta-μ-isophthalato-pentacalcium octahydrate","","- C40 H54 Ca5 O37 -","- C40 H54 Ca5 O37 -","- C160 H216 Ca20 O148 -","4","0.5","TR1070","Dale, Sophie H.; Elsegood, Mark R. J.","{[Ca~5~(C~8~H~4~O~4~)~5~(H~2~O)~9~]·8H~2~O}~<i>n~</i>: the first crystallographically characterized non-transition metal salt of isophthalic acid","Acta Crystallographica Section C","2003","59","12","m540","m542","10.1107/S0108270103023643","","","0.71073","MoKα","","0.047","0.033","","","0.076","0.083","","","","","","1.083","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2013724","10.16","0.005","10.785","0.005","11.942","0.005","66.369","0.005","75.928","0.005","72.005","0.005","1129.4","0.9","293","","293","2","","","","","","","","4","P 1","P 1","1","","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo- 2,3-dihydro-1H-pyrrole-2-acetate","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","2","TY1001","Akkurt, Mehmet; Öztürk, Sema; Üngören, Hakan; Saçmacı, Mustafa; Fun, Hoong-Kun; Akçamur, Yunus","Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1<i>H</i>-pyrrole-2-acetate","Acta Crystallographica Section C","2003","59","10","o598","o600","10.1107/S0108270103018584","","","0.71073","MoKα","","0.093","0.066","","","0.116","0.127","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013725","10.107","0.002","9.715","0.002","10.62","0.002","90","","118.01","0.03","90","","920.6","0.4","153","2","153","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(methylsulfamido) sulfone","","- C2 H8 N2 O6 S3 -","- C2 H8 N2 O6 S3 -","- C8 H32 N8 O24 S12 -","4","1","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.058","0.05","","","0.14","0.148","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013726","9.007","0.002","5.537","0.001","20.776","0.004","90","","94.97","0.03","90","","1032.2","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(trifluoromethylsulfamido) sulfone","","- C2 H2 F6 N2 O6 S3 -","- C2 H2 F6 N2 O6 S3 -","- C8 H8 F24 N8 O24 S12 -","4","0.5","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.052","0.041","","","0.092","0.096","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013727","3.898","0.001","11.966","0.002","15.945","0.003","79.08","0.02","83.54","0.02","87.09","0.02","725.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine hemihydrate","","- C6 H7 N4 O1.5 -","- C6 H6.75 N4 O1.5 -","- C24 H27 N16 O6 -","4","2","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0762","0.0498","","","0.1162","0.1247","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013728","6.837","0.001","7.819","0.002","10.281","0.002","70.13","0.02","75.49","0.02","80.29","0.02","498.29","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine trihydrate","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C12 H24 N8 O8 -","2","1","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0536","0.0373","","","0.0902","0.0938","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013729","5.041","0.001","6.547","0.001","7.247","0.001","90","","96.98","0.02","90","","237.4","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methylsulfanyl-1H-tetrazole (α-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C4 H8 N8 S2 -","2","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0332","0.0293","","","0.0679","0.0693","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013730","7.714","0.002","9.833","0.002","6.679","0.001","90","","90","","90","","506.61","0.18","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","5-Methylsulfanyl-1H-tetrazole (β-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0481","0.0311","","","0.0654","0.0668","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013731","6.51","0.001","8.971","0.001","11.085","0.002","70.746","0.002","73.108","0.002","73.807","0.002","572.66","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,5-diphenylhydroquinone‒2-pyridone (1/2)","","- C28 H24 N2 O4 -","- C28 H21.476 N2 O4 -","- C28 H21.476 N2 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.0546","0.042","","","0.1187","0.1263","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013732","9.413","0.002","10.042","0.002","11.848","0.002","65.74","0.02","81.57","0.02","62.81","0.02","907","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1,3-diphenyl-2-propen-1-one (1/2)","","- C48 H38 O4 -","- C48 H38 O4 -","- C48 H38 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1132","0.043","","","0.1126","0.142","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013733","10.322","0.002","11.051","0.002","18.041","0.003","83.11","0.02","75.54","0.02","89.7","0.02","1977.7","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one (1/2)","","- C50 H42 O6 -","- C50 H42 O6 -","- C100 H84 O12 -","2","1","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1886","0.0677","","","0.1775","0.2244","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013734","9.746","0.005","12.78","0.007","13.315","0.007","113.132","0.009","104.763","0.009","96.916","0.009","1428.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquatris-bis[(μ-2-Fluorobenzoato-o,o':o')(μ-2-Fluorobenzoato-o,o' (2-Fluorobenzoato-o)(4,4'-bipyridine-N)-lanthanum(III)]","","- C31 H22 F3 La N2 O7 -","- C31 H22 F3 La N2 O7 -","- C62 H44 F6 La2 N4 O14 -","2","1","AV1158","Li, Xia; Zou, Ying-Quan; Song, Hai-Bin","Tetra-μ-2-fluorobenzoato-bis[aqua(4,4'-bipyridine)(2-fluorobenzoato)lanthanum(III)]","Acta Crystallographica Section C","2004","60","3","m110","m111","10.1107/S0108270103029470","","","0.71073","MoKα","","0.0412","0.03","","","0.0677","0.08","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013735","19.3587","0.0015","6.7658","0.0005","12.7869","0.0007","90","","90","","90","","1674.8","0.2","180","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tetrapotassium vanadium diphosphorus nonasulfide","","- K4 P2 S9 V -","- K4 P2 S9 V -","- K16 P8 S36 V4 -","4","1","AV1159","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","K~4~VP~2~S~9~","Acta Crystallographica Section C","2004","60","2","i11","i13","10.1107/S0108270103026623","","","0.71073","MoKα","","0.051","0.048","","","0.124","0.127","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013736","9.1835","0.0006","7.8999","0.0006","18.2023","0.0013","90","","98.598","0.006","90","","1305.71","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2-pyridyl)-1,2-diaminobenzene","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","AV1160","Maria Gdaniec; Igor Bensemann; Tadeusz Połoński","<i>N</i>,<i>N</i>'-Bis(2-pyridyl)benzene-1,2-diamine","Acta Crystallographica Section C","2004","60","3","o215","o216","10.1107/S010827010400068X","","","0.71073","MoKα","","0.0532","0.0455","","","0.1168","0.1248","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013737","8.203","0.003","11.566","0.004","14.534","0.004","90","","91.025","0.003","90","","1378.7","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[sodium-μ~4~-3,5-dicarboxybenzenesulfonate- κ^4^O:O':O'':O'''-μ~2~-urea-κ^2^O:N] monohydrate]","","- C9 H11 N2 Na O9 S -","- C9 H11 N2 Na O9 S -","- C36 H44 N8 Na4 O36 S4 -","4","1","AV1161","Stoś, Elżbieta; Lis, Tadeusz; Videnova-Adrabińska, Veneta","Polymeric sodium 3,5-dicarboxybenzenesulfonate‒urea‒water (1/1/1)","Acta Crystallographica Section C","2004","60","3","m114","m116","10.1107/S0108270104000691","","","0.71073","MoKα","","0.0492","0.0346","","","0.0862","0.091","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013738","7.6353","0.0008","7.6077","0.0008","16.335","0.002","90","","92.19","0.009","90","","948.16","0.18","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Zinc catena-polyphosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O48 P16 Zn8 -","8","2","BC1027","Weil, Matthias","The high-temperature modification of zinc <i>catena</i>-polyphosphate, β-Zn(PO~3~)~2~","Acta Crystallographica Section C","2004","60","2","i20","i22","10.1107/S0108270103025666","","","0.71073","MoKα","","0.0228","0.0199","","","0.0422","0.043","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013739","9.161","0.001","9.161","0.001","4.114","0.001","90","","90","","120","","299.01","0.09","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","uranium cobalt tetraaluminide","uranium cobalt tetraaluminide","","- Al4 Co U -","- Al4 Co U -","- Al12 Co3 U3 -","3","0.25","BC1029","Stêpieň-Damm, J.; Tougait, O.; Zaremba, V.I.; Noël, H.; Troc,̆ R.","Uranium cobalt tetraaluminide, UCoAl~4~","Acta Crystallographica, Section C","2004","60","","i7","i8","10.1107/S0108270103027252","","","0.71073","MoKα","","0.025","0.022","","","0.037","0.037","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013740","9.4316","0.0007","9.4316","0.0007","8.3595","0.0008","90","","90","","120","","643.99","0.09","297","2","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","rubidium grimselite","rubidium sodium uranyl tricarbonate hydrate","","- C3 H Na O11.5 Rb3 U -","- C3 Na O11.5 Rb3 U -","- C6 Na2 O23 Rb6 U2 -","2","0.166667","BC1032","Hughes Kubatko, Karrie-Ann; Burns, Peter C.","The Rb analogue of grimselite, Rb~6~Na~2~[(UO~2~)(CO~3~)~3~]~2~(H~2~O)","Acta Crystallographica Section C","2004","60","3","i25","i26","10.1107/S0108270103028312","","","0.71073","MoKα","","","0.034","","","","0.085","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:52",""
"2013741","10.404","0.002","10.404","0.002","7.996","0.003","90","","90","","120","","749.6","0.3","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","europium(II) oxyiodide","tetraeuropium hexaiodine oxygen","","- Eu4 I6 O -","- Eu4 I6 O -","- Eu8 I12 O2 -","2","0.166667","BC1033","Liao, Wuping; Dronskowski, Richard","Europium(II) oxyiodide","Acta Crystallographica Section C","2004","60","3","i23","i24","10.1107/S0108270103028671","","","0.71073","MoKα","","0.0281","0.0267","","","0.0658","0.0667","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013742","7.0148","0.001","15.896","0.004","18.587","0.005","90","","96.548","0.018","90","","2059.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mer-(4-Aminobenzenesulfonate-κN)triaqua(1,10-phenanthroline- κ^2^N,N')cobalt(II) chloride","","- C18 H20 Cl Co N3 O6 S -","- C18 H20 Cl Co N3 O6 S -","- C72 H80 Cl4 Co4 N12 O24 S4 -","4","1","BM1550","Ming-Hua Huang; Li-Hua Bi; Shao-Jun Dong","<i>mer</i>-(4-Aminobenzenesulfonato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) chloride","Acta Crystallographica Section C","2004","60","1","m30","m32","10.1107/S0108270103026957","","","0.71073","MoKα","","0.0507","0.0343","","","0.0711","0.0731","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013743","9.2875","0.0002","9.9802","0.0002","10.9261","0.0002","63.4321","0.0008","82.2565","0.0007","77.946","0.0008","884.85","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^N}copper(II)) dichloride hexahydrate","","- C28 H48 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","1","0.5","BM1551","Leaver, Stewart A.; Kilner, Colin A.; Halcrow, Malcolm A.","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>}copper(II)) dichloride hexahydrate","Acta Crystallographica Section C","2004","60","1","m1","m3","10.1107/S0108270103026064","","","0.71073","MoKα","","0.035","0.032","","","0.085","0.088","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013744","16.805","0.0008","10.0004","0.0005","18.6253","0.0009","90","","95.241","0.002","90","","3117","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N S2 -","- C19 H15 N S2 -","- C152 H120 N8 S16 -","8","2","BM1552","Palenzuela Conde, Jesús; Elsegood, Mark R. J.; Ryder, Karl S.","<i>N</i>-Benzyl-2,5-bis(2-thienyl)pyrrole","Acta Crystallographica Section C","2004","60","3","o166","o168","10.1107/S0108270103029639","","","0.71073","MoKα","","","0.0464","","","","0.1344","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013745","8.9837","0.0008","9.56","0.0008","10.1222","0.0009","90","","98.225","0.002","90","","860.39","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α- carboxamide","","- C17 H22 F I N2 O -","- C17 H22 F I N2 O -","- C34 H44 F2 I2 N4 O2 -","2","1","BM1554","Krebs, Birte; Flörke, Ulrich","<i>N</i>-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α-carboxamide: a new cocaine derivative with equatorially attached ligands","Acta Crystallographica Section C","2004","60","2","o118","o119","10.1107/S0108270103027835","","","0.71073","MoKα","","0.035","0.031","","","0.07","0.071","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013746","18.171","0.004","22.13","0.005","23.251","0.007","90","","90","","90","","9350","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-L-leucine-(L-leucine)tetraytterbium(III) tetrachloratezinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C168 H504 Cl44 N28 O136 Yb16 Zn8 -","4","1","BM1556","Jinping Wang; Chunji Niu; Ninghai Hu","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-<small>L</small>-leucine-(<small>L</small>-leucine)tetraytterbium(III) tetrachlorozinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","Acta Crystallographica Section C","2004","60","3","m143","m146","10.1107/S0108270104002264","","","0.71073","MoKα","","0.0993","0.0534","","","0.0939","0.1003","","","","","","1.062","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2013747","10.6661","0.0007","7.5042","0.0005","11.126","0.0008","90","","109.404","0.002","90","","839.95","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[lead(II)-μ~2~-aqua-μ~3~-terephthalato]","","- C8 H6 O5 Pb -","- C8 H6 O5 Pb -","- C32 H24 O20 Pb4 -","4","1","BM1557","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Poly[lead(II)-μ~2~-aqua-μ~4~-terephthalato]","Acta Crystallographica Section C","2004","60","2","m76","m78","10.1107/S0108270103029573","","","0.71073","MoKα","","0.0257","0.0228","","","0.0554","0.057","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013748","8.0612","0.0004","8.0612","0.0004","36.648","0.003","90","","90","","90","","2381.5","0.3","297","2","297","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H10 F12 N2 O4 Zn -","- C20 H10 F12 N2 O4 Zn -","- C80 H40 F48 N8 O16 Zn4 -","4","0.5","DE1228","Juan Granifo; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","2","m97","m100","10.1107/S0108270104000198","","","0.71073","MoKα","","0.0731","0.0482","","","0.1196","0.1319","","","","","","0.937","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013749","8.1002","0.001","7.8837","0.001","23.108","0.003","90","","90.828","0.01","90","","1475.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(2,6-Dimethylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","DN1035","Soylu, Serkan; Tas̨, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(2,6-Dimethylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine","Acta Crystallographica Section C","2004","60","2","o115","o117","10.1107/S0108270103028178","","","0.71073","MoKα","","0.087","0.042","","","0.105","0.116","","","","","","0.873","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013750","7.612","0.002","12.409","0.008","22.032","0.007","90","","94.97","0.03","90","","2073.3","1.6","180","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(benzylammonium) hexachlorotin(IV)","","- C14 H20 Cl6 N2 Sn -","- C14 H20 Cl6 N2 Sn -","- C56 H80 Cl24 N8 Sn4 -","4","1","DN1036","Rademeyer, Melanie","Bis(benzylammonium) hexachlorotin(IV)","Acta Crystallographica Section C","2004","60","2","m55","m56","10.1107/S0108270103028270","","","0.71073","MoKα","","0.063","0.053","","","0.115","0.12","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013751","11.438","0.002","13.869","0.002","15.635","0.005","90","","109.75","0.05","90","","2334.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(glutarato)dilanthanum(III) dihydrate","","- C15 H26 La2 O17 -","- C15 H26 La2 O17 -","- C60 H104 La8 O68 -","4","1","DN1038","Belkacem Benmerad; Acoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","A polynuclear coordination glutarate of lanthanum(III) with an uncommon cage feature","Acta Crystallographica Section C","2004","60","3","m119","m122","10.1107/S0108270104000848","","","0.71073","MoKα","","0.0798","0.0385","","","0.0747","0.0839","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013752","9.4222","0.0019","12.803","0.003","14.452","0.003","105.673","0.002","104.037","0.002","104.891","0.002","1528.3","0.6","184","2","184","2","","","","","","","","5","P -1","-P 1","2","","Tribiguanidomanganese(iV) biguuanidium hexanitrate","","- C8 H30 Mn N26 O18 -","- C8 H30 Mn N26 O18 -","- C16 H60 Mn2 N52 O36 -","2","1","FA1036","Lu, Liping; Zhu, Miaoli; Yang, Pin","Cocrystal of the [Mn^IV^(C~2~H~7~N~5~)~3~]^4+^ ion and biguanidium: a double hydrogen-bond interaction with guanidinium-recognizing anions","Acta Crystallographica Section C","2004","60","1","m18","m20","10.1107/S0108270103024892","","","0.71073","MoKα","","0.0578","0.0455","","","0.1053","0.11","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013753","14.2587","0.0009","8.5369","0.0006","14.9245","0.001","90","","90","","90","","1816.7","0.2","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-trimethylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","FA1038","Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński","2,4,6-Trimethylbenzamide","Acta Crystallographica Section C","2004","60","1","o41","o43","10.1107/S0108270103026611","","","0.71073","MoKα","","0.0865","0.0425","","","0.0768","0.0903","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013754","10.7189","0.0009","11.1479","0.0013","17.0975","0.0016","102.472","0.006","106.903","0.006","94.8","0.006","1885","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{bis[5-tert-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate","","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","1","0.5","FA1040","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel; Masci, Bernardo","Bis{bis[5-<i>tert</i>-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate: a uranyl bis(diphenoxide) complex resulting from homooxacalixarene cleavage","Acta Crystallographica Section C","2004","60","1","m27","m29","10.1107/S0108270103027513","","","0.71073","MoKα","","0.087","0.051","","","0.087","0.096","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013755","9.972","0.002","13.751","0.002","18.516","0.004","90","","97.047","0.008","90","","2519.8","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[bis(pyrimidin-2-yl-κN)amine](dicyanamido- κN^1^)(trifluoromethanesulfonato-κO)copper(II) ethanol hemisolvate","","- C20 H17 Cu F3 N13 O3.5 S -","- C19 H14 Cu F3 N13 O3 S -","- C76 H56 Cu4 F12 N52 O12 S4 -","4","1","FA1041","Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Gamez, Patrick; Reedijk, Jan","Bis[bis(pyrimidin-2-yl-κ<i>N</i>)amine](dicyanamido-κ<i>N</i>^1^)(trifluoromethanesulfonato-κ<i>O</i>)copper(II) ethanol hemisolvate forms a hydrogen-bonded chain","Acta Crystallographica Section C","2004","60","2","m51","m54","10.1107/S0108270103028385","","","0.71073","MoKα","","0.085","0.043","","","0.095","0.104","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013756","6.878","0.001","9.0432","0.0014","15.613","0.002","73.631","0.017","82.265","0.016","82.091","0.018","918.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.0863","0.0349","","","0.0695","0.0822","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013757","5.7641","0.0011","9.7771","0.0019","18.006","0.004","75.4","0.02","87.87","0.02","86.66","0.02","980","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.1161","0.0344","","","0.0646","0.0859","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013758","9.835","0.003","19.229","0.002","16.75","0.006","90","","90","","90","","3167.7","1.5","208","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C34 H26 Cd F4 N8 -","- C34 H26 Cd F4 N8 -","- C136 H104 Cd4 F16 N32 -","4","0.5","FA1048","Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke","<i>cis</i>-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^<i>N</i>^1^,<i>N</i>^3^]bis(pyridine-κ<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2004","60","3","m140","m142","10.1107/S0108270104002380","","","0.71073","MoKα","","","0.0214","","","","0.053","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013759","7.0399","0.0007","12.5636","0.0012","8.6695","0.0008","90","","90","","90","","766.79","0.13","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","","N,N-dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C32 H26 N10 O4 -","2","0.5","FG1710","Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>,<i>N</i>-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","1","o62","o64","10.1107/S0108270103025940","","","0.71073","MoKα","","0.0711","0.0492","","","0.1025","0.1124","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013760","5.4356","0.0016","13.992","0.004","17.955","0.005","90","","96.382","0.005","90","","1357.1","0.7","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-Pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","1","FG1713","Miao Du; Xiao-Jun Zhao","Three-dimensional hydrogen-bonding supramolecular architecture of 2-(3-pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","Acta Crystallographica Section C","2004","60","1","o54","o56","10.1107/S0108270103026659","","","0.71073","MoKα","","0.1174","0.0595","","","0.1347","0.1547","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013761","6.3709","0.0003","6.3296","0.0003","14.5646","0.0006","90","","99.629","0.003","90","","579.05","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0214","0.0187","","","0.0508","0.0529","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013762","6.3705","0.0004","6.3288","0.0009","14.563","0.0008","90","","99.606","0.004","90","","578.91","0.1","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aminoguanidinium(1+) hexafluorozirconate","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0209","0.0186","","","0.0472","0.0492","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013763","7.954","0.006","9.681","0.007","14.037","0.01","90","","96.449","0.012","90","","1074","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bipyridinium(1+) bromide monohydrate","","- C10 H11 Br N2 O -","- C10 H11 Br N2 O -","- C40 H44 Br4 N8 O4 -","4","1","FG1717","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","2,2'-Bipyridinium(1+) bromide monohydrate","Acta Crystallographica Section C","2004","60","2","o113","o114","10.1107/S0108270103028282","","","0.71073","MoKα","","0.061","0.037","","","0.092","0.102","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013764","8.5159","0.0017","5.9128","0.0012","21.586","0.004","90","","96.32","0.03","90","","1080.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(dimethyl sulfide-κS)(pyridine-κN)platinum(II)","","- C7 H11 Cl2 N Pt S -","- C7 H11 Cl2 N Pt S -","- C28 H44 Cl8 N4 Pt4 S4 -","4","1","FG1718","Burrow, Robert A.; Facco, Janaina T.; Lang, Ernesto S.; Farrar, David H.; Lough, Alan J.","<i>trans</i>-Dichloro(dimethyl sulfide-κ<i>S</i>)(pyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section C","2004","60","1","m7","m9","10.1107/S0108270103026465","","","0.71073","MoKα","","0.068","0.038","","","0.076","0.082","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013765","5.9194","0.0008","5.9245","0.0008","10.5821","0.0014","90","","94.326","0.003","90","","370.05","0.09","208","2","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","acetone peroxide","3,3,6,6-tetramethyl-1,2,4,5-tetroxane","","- C6 H12 O4 -","- C6 H12 O4 -","- C12 H24 O8 -","2","0.5","FG1722","Gelalcha, Feyissa Gadissa; Schulze, Bärbel; Lönnecke, Peter","3,3,6,6-Tetramethyl-1,2,4,5-tetroxane: a twinned crystal structure","Acta Crystallographica Section C","2004","60","3","o180","o182","10.1107/S010827010400112X","","","0.71073","MoKα","","","0.0447","","","","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013766","7.6817","0.0004","7.8385","0.0003","18.0466","0.0009","90","","97.708","0.002","90","","1076.82","0.09","100","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","FG1724","Bjorn Olesen; Marcus R. Bond","(1<i>E</i>)-2-(Diacetylamino)-1-methylprop-1-enyl acetate","Acta Crystallographica Section C","2004","60","3","o196","o197","10.1107/S0108270104000332","","","0.71073","MoKα","","0.0642","0.0416","","","0.0881","0.0991","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013767","20.983","0.0002","20.983","0.0002","7.6436","0.0001","90","","90","","120","","2914.5","0.05","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0463","0.0366","","","0.0899","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013768","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0412","0.0344","","","0.0849","0.0891","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013769","7.8727","0.0002","8.9846","0.0002","11.3927","0.0003","90","","96.345","0.001","90","","800.9","0.03","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalen","N,N-bis(2-methoxybenzylidene)ethane-1,2-diamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0407","0.0359","","","0.094","0.0978","","","","","","1.021","","","","has coordinates","192305","2020-10-21","18:00:00",""
"2013770","8.8669","0.0002","9.9139","0.0003","10.2724","0.0004","101.14","0.002","92.341","0.002","109.442","0.002","830.05","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","MeSalpr","N,N-bis(2-methoxybenzylidene)propane-1,3-diamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0963","0.0468","","","0.1042","0.1216","","","","","","0.986","","","","has coordinates","192306","2020-10-21","18:00:00",""
"2013771","4.6903","0.0002","14.2387","0.0006","13.217","0.0005","90","","91.002","0.002","90","","882.55","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalbu","N,N-bis(2-methoxybenzylidene)butane-1,4-diamine","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0824","0.0422","","","0.0884","0.1031","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013772","9.246","0.003","10.228","0.004","11.177","0.004","80.529","0.006","86.335","0.007","65.12","0.006","945.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-chlorophenyl)-1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C22 H19 Cl F N O -","- C22 H19 Cl F N O -","- C44 H38 Cl2 F2 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0719","0.0502","","","0.1084","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013773","10.112","0.002","19.073","0.004","11.287","0.003","90","","116.348","0.003","90","","1950.7","0.8","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C23 H22 F N O2 -","- C23 H22 F N O2 -","- C92 H88 F4 N4 O8 -","4","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0556","0.0413","","","0.0986","0.1062","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013774","9.315","0.005","9.793","0.005","11.048","0.006","81.362","0.009","65.691","0.007","77.999","0.008","896","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","6,6-dimethyl-1,2-diphenyl-4,5,6,7-tetrahydro-1H-indol-4-one","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0522","0.0397","","","0.0964","0.1042","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013775","6.18","0.0012","44.16","0.009","9.774","0.002","90","","108.26","0.03","90","","2533.1","1","173","1","173","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(1H-Indol-3-ylmethylene)-1-aza-bicyclo[2.2.2]octan-3-one","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","FR1450","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1<i>H</i>-Indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2004","60","1","o6","o8","10.1107/S0108270103026076","","","0.71073","MoKα","","0.0595","0.0482","","","0.0778","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013776","15.4723","0.0002","10.5669","0.0008","11.185","0.0008","90","","98.9","0.003","90","","1806.67","0.19","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1-one","","- C18 H20 Cl N3 O5 -","- C18 H20 Cl N3 O5 -","- C72 H80 Cl4 N12 O20 -","4","1","FR1451","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Thöne, Carsten; Erdönmez, Ahmet","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","2","o133","o135","10.1107/S010827010302941X","","","0.71073","MoKα","","0.055","0.0369","","","0.0963","0.1054","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013777","11.579","0.001","17.4011","0.0015","13.0453","0.0011","90","","110.488","0.002","90","","2462.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one acetone solvate","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.1009","0.0461","","","0.0995","0.1266","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013778","13.0534","0.0016","14.9664","0.0018","21.356","0.003","90","","90","","90","","4172.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C192 H216 N8 O48 -","8","2","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.0437","0.0326","","","0.0827","0.0861","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013779","10.2","0.003","17.594","0.005","22.76","0.007","90","","100.2","0.005","90","","4020","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dichloro-cis-Bis(3,6-dimethylcarbazolyl)-cis- bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","","- C45 H49 Cl2 N2 O2 Zr -","- C45 H49 Cl2 N2 O2 Zr -","- C180 H196 Cl8 N8 O8 Zr4 -","4","1","FR1455","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","<i>trans</i>-Dichloro-<i>cis</i>-bis(3,6-dimethylcarbazolyl)-<i>cis</i>-bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","Acta Crystallographica Section C","2004","60","1","m4","m6","10.1107/S0108270103026258","","","0.71073","MoKα","","0.0484","0.0316","","","0.0753","0.085","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013780","6.7298","0.0008","7.2091","0.0011","8.4367","0.0012","85.928","0.013","83.075","0.017","82.132","0.016","401.88","0.1","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","4-Oxocyclohexanecarboxylic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C14 H24 O8 -","2","1","FR1456","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","4-Oxocyclohexanecarboxylic acid: hydrogen bonding in the monohydrate of a δ-keto acid","Acta Crystallographica Section C","2004","60","2","o140","o142","10.1107/S0108270103029329","","","0.71073","MoKα","","0.083","0.045","","","0.09","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013781","5.1549","0.0003","6.9872","0.0004","13.9097","0.0008","77.747","0.003","84.255","0.003","70.508","0.003","461.3","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","trans-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Triclinic Form Ia","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","1","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.; .","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0803","0.0482","","0.15","","0.1074","","","1.069","","","1.076","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013782","8.741","0.0002","6.747","0.0001","15.3448","0.0004","90","","100.8","0.001","90","","888.94","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trans-Bis(3-Isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Monoclinic Form Ib","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C40 H44 Cu2 O8 -","2","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0659","0.0477","","0.1273","","0.1116","","","1.12","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013783","11.455","0.002","9.1008","0.0017","14.779","0.003","90","","106.993","0.003","90","","1473.4","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","CBS Oxazaborolidine dimer","3,3,3',3'-tetraphenyl-1,1'-spirobi(3a,4,5,6-tetrahydro-3H- pyrrolo[1,2-c][1,3,2]oxazaborole)‒7-borane","","- C34 H38 B2 N2 O2 -","- C34 H38 B2 N2 O2 -","- C68 H76 B4 N4 O4 -","2","1","FR1462","Ortiz-Marciales, Margarita; De Jesús, Melvin; Gonzáles, Eduvigis; Raptis, Raphael G.; Baran, Peter","A 1,3,2-oxazaborolidine dimer derived from (<i>S</i>)-α,α-diphenylprolinol","Acta Crystallographica Section C","2004","60","3","o173","o175","10.1107/S0108270104000666","","","0.71073","MoKα","","0.0621","0.0436","","","0.1073","0.1256","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013784","12.9887","0.0017","6.075","0.002","18.7903","0.0016","90","","104.701","0.008","90","","1434.1","0.5","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-Methylphenyl)fluorene","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","1","FR1463","Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.","<i>sp</i>-9-(<i>o</i>-Methylphenyl)fluorene","Acta Crystallographica Section C","2004","60","2","o156","o157","10.1107/S010827010400040X","","","0.71069","MoKα","","0.094","0.05","","","0.144","0.166","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013785","6.639","0.003","13.53","0.006","11.91","0.005","90","","107.25","0.03","90","","1021.7","0.8","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","GA1026","Yamamoto, Chishou; Matsumoto, Taisuke; Watanabe, Masataka; Hitzer, Eckhard M. S.; Mataka, Shuntaro; Thiemann, Thies","6-[3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl]hexanenitrile","Acta Crystallographica Section C","2004","60","2","o130","o132","10.1107/S010827010302866X","","","0.7107","MoKα","","","0.035","","","","0.082","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013786","15.889","0.005","22.07","0.007","25.941","0.008","90","","90","","90","","9097","5","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78.44 H138 Co N13 O28.04 P2 -","- C78.437 H134.874 Co N13 O28.042 P2 -","- C313.748 H539.496 Co4 N52 O112.168 P8 -","4","1","GA1038","Susan M. Chemaly; Helder M. Marques; Christopher B. Perry","Diisopropylphosphitocobalamin‒acetone‒water (1/3.48/7.56)","Acta Crystallographica Section C","2004","60","2","m88","m90","10.1107/S0108270104000344","","","0.71073","MoKα","","","0.041","","","","0.0949","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013787","6.52","0.0013","10.172","0.002","18.871","0.004","90","","90","","90","","1251.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,10-phenantholine-κ^2^N,N')(μ~3~-thiosulfato-κ^3^S:S:O)cadmium(II)","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C48 H32 Cd4 N8 O12 S8 -","4","1","GA1040","Harvey, Miguel; Baggio, Sergio; Pardo, Helena; Baggio, Ricardo","A novel five-coordinate cadmium phenanthroline thiosulfate","Acta Crystallographica Section C","2004","60","2","m79","m81","10.1107/S0108270104000186","","","0.71073","MoKα","","0.0384","0.0305","","","0.0865","0.1402","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013788","7.2713","0.001","8.586","0.0009","9.8424","0.0014","77.123","0.011","77.785","0.012","79.825","0.01","580.03","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide","","- C11 H14 Br N O2 -","- C11 H14 Br N O2 -","- C22 H28 Br2 N2 O4 -","2","1","GD1280","Wu, Yao-Wen; Wang, Ru-Ji; Jiang, Yu-Yang; Fu, Hua; Zhao, Yu-Fen","Displaced π‒π stacking and hydrogen bonds in 3-bromo-<i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide","Acta Crystallographica Section C","2004","60","3","o178","o179","10.1107/S0108270103025824","","","0.71073","MoKα","","0.0589","0.037","","","0.0869","0.0966","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013789","8.9414","0.0006","8.9955","0.0006","11.7433","0.0006","105.001","0.004","93.265","0.006","98.902","0.006","896.69","0.1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-3-pentyl-indole-1-carboxylic acid tert-butyl ester","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD1287","Gallagher, John F.; Coleman, Claire M.; O'Shea, Donal F.","<i>tert</i>-Butyl 5-methoxy-3-pentylindole-1-carboxylate","Acta Crystallographica Section C","2004","60","2","o149","o151","10.1107/S0108270103028154","","","0.71073","MolybdenumKα","","0.0665","0.0475","","","0.1195","0.133","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013790","9.0573","0.0007","17.1999","0.0013","37.754","0.009","90","","90","","90","","5881.5","1.5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","(pyrimidine-2-thionato-κS)(pyrimidinium-2-thionato-κS)mercury(II) tetrabromomercury(II)","","- C16 H14 Br4 Hg3 N8 S4 -","- C16 H14 Br4 Hg3 N8 S4 -","- C128 H112 Br32 Hg24 N64 S32 -","8","0.25","GD1289","Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka","A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II)","Acta Crystallographica Section C","2004","60","2","m44","m46","10.1107/S0108270103028014","","","0.71073","MoKα","","0.101","0.054","","","0.126","0.145","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013791","9.111","0.001","5.9921","0.0007","9.408","0.001","90","","106.71","0.002","90","","491.93","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C24 H20 O4 -","2","0.5","GD1290","Bruce, Michael I; Head, Nicholas J.; Skelton, Brian W.; White, Allan H.","1,4-Diethynyl-2,5-dimethoxybenzene at <i>ca</i> 150 K","Acta Crystallographica Section C","2004","60","1","o60","o61","10.1107/S0108270103027124","","","0.71073","MoKα","","0.062","0.044","","0.054","","0.05","","","1.032","","","1.106","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013792","7.0302","0.0002","9.9377","0.0002","17.8571","0.0005","90","","98.279","0.001","90","","1234.57","0.06","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N2 O2 -","- C10 H16 Cl2 N2 O2 -","- C40 H64 Cl8 N8 O8 -","4","1","GD1295","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","4-Chloro-<i>N</i>-(trimethylammonio)benzamide chloride monohydrate","Acta Crystallographica Section C","2004","60","2","o125","o126","10.1107/S0108270103029421","","","0.71073","MoKα","","","0.0295","","","","0.0732","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013793","16.1522","0.0001","10.4928","0.0001","18.9161","0.0003","90","","90","","90","","3205.93","0.06","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(arsenato)fluorohydroxotrigallium 1,3-diaminopropane monohydrate","","- C3 H15 As3 F Ga3 N2 O14 -","- C3 H12 As3 F Ga3 N2 O14 -","- C24 H96 As24 F8 Ga24 N16 O112 -","8","1","GD1296","Loiseau, Thierry; Ferey, Gerard","A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga~3~(AsO~4~)~3~(OH)F](C~3~H~12~N~2~)·H~2~O","Acta Crystallographica Section C","2004","60","3","i30","i32","10.1107/S010827010400071X","","","0.71073","MoKα","","0.0454","0.0354","","","0.085","0.087","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013794","3.672","0.0007","10.417","0.002","28.749","0.006","90","","90.89","0.03","90","","1099.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","melaminium maleate monohydrate","2,4,6-triamino-1,3,5-triazin-1-ium maleate monohydrate","","- C7 H12 N6 O5 -","- C7 H12 N6 O5 -","- C28 H48 N24 O20 -","4","1","GD1299","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium maleate monohydrate","Acta Crystallographica Section C","2004","60","3","o211","o214","10.1107/S0108270104002227","","","0.71073","MoKα","","0.0511","0.0367","","","0.043","0.0499","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013795","12.555","0.003","7.2688","0.0015","17.366","0.004","90","","107.85","0.03","90","","1508.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0681","0.0483","","","0.1192","0.1345","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013796","8.8211","0.0018","11.717","0.002","15.528","0.003","86.55","0.03","81.97","0.03","90","0.03","1586.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0959","0.0657","","","0.163","0.1941","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013797","13.39","0.003","9.853","0.002","12.503","0.003","90","","102.97","0.03","90","","1607.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[4-nitro-2-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C68 H64 F12 N12 O8 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0749","0.0458","","","0.1153","0.1307","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013798","30.6687","0.0012","9.9731","0.0003","10.4592","0.0003","90","","95.8496","0.001","90","","3182.41","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C136 H128 F24 N24 O16 -","8","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.1312","0.053","","","0.0963","0.1193","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013799","13.562","0.002","5.3311","0.0008","13.142","0.002","90","","117.9","0.006","90","","839.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitrothiazole monoethanol solvate","","- C5 H9 N3 O3 S -","- C5 H9 N3 O3 S -","- C20 H36 N12 O12 S4 -","4","1","GG1195","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-5-nitrothiazole monoethanol solvate: triply-interwoven hydrogen-bonded sheets containing centrosymmetric <i>R</i>_<b>2</b>^<b>2</b>(8) and <i>R</i> _<b>10</b>^<b>10</b>(38) rings","Acta Crystallographica Section C","2004","60","1","o15","o18","10.1107/S0108270103024533","","","0.71073","MoKα","","0.1495","0.0723","","","0.1517","0.1813","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013800","8.2556","0.0003","15.3414","0.0008","7.2521","0.0004","90","","115.496","0.003","90","","829.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-iodo-5-nitrobenzaldehyde","","- C7 H4 I N O4 -","- C7 H4 I N O4 -","- C28 H16 I4 N4 O16 -","4","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.05","0.033","","","0.069","0.074","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013801","32.999","0.002","4.2305","0.0003","14.8328","0.0011","90","","95.225","0.002","90","","2062.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diiodo-6-nitroanisole","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C56 H40 I16 N8 O24 -","8","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.143","0.053","","","0.124","0.154","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013802","6.665","0.0005","3.6962","0.0003","23.639","0.002","90","","95.208","0.003","90","","579.95","0.08","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(3-Nitrophenyl)phthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.0878","0.0479","","","0.0986","0.1162","","","","","","0.875","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013803","5.0936","0.0007","12.6297","0.0018","10.366","0.002","90","","101.335","0.006","90","","653.84","0.18","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","N-(3,5-Dinitrophenyl)phthalimide","","- C14 H7 N3 O6 -","- C14 H7 N3 O6 -","- C28 H14 N6 O12 -","2","0.5","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.1019","0.052","","","0.1094","0.1284","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013804","3.707","0.0002","6.3963","0.0003","15.4047","0.001","90","","95.064","0.002","90","","363.84","0.04","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C14 H14 N6 O4 -","2","1","GG1201","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of <i>R</i>_<b>4</b>^<b>4</b>(26) rings","Acta Crystallographica Section C","2004","60","1","o33","o34","10.1107/S010827010302657X","","","0.71073","MoKα","","0.0473","0.0402","","","0.0964","0.1018","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013805","4.5985","0.0002","9.6973","0.0005","16.3968","0.0008","90","","94.935","0.003","90","","728.47","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E,E)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","GG1202","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>,<i>E</i>)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","Acta Crystallographica Section C","2004","60","1","o38","o40","10.1107/S0108270103026635","","","0.71073","MoKα","","0.0647","0.0443","","","0.1064","0.1157","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013806","7.2761","0.0002","14.8881","0.0005","23.0407","0.0006","90","","90","","90","","2495.94","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-Nitrophenyl)benzamide-2-carboxylic acid","2-(2-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.093","0.049","","","0.1","0.115","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013807","3.9188","0.0002","12.6896","0.0006","27.7029","0.0016","90","","90","","90","","1377.61","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, orthorhombic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.087","0.055","","","0.114","0.123","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013808","10.2098","0.001","9.3749","0.0008","27.409","0.002","90","","100.578","0.004","90","","2578.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, monoclinic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","2","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.165","0.069","","","0.133","0.166","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013809","9.7328","0.001","7.9105","0.0006","7.9803","0.0007","90","","96.578","0.004","90","","610.37","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F5 H2 K2 O V -","- F5 H2 K2 O V -","- F20 H8 K8 O4 V4 -","4","0.5","IZ1034","Zhaoxun Lian; Changcang Huang; Xihe Huang","Dipotassium aquapentafluorovanadate","Acta Crystallographica Section C","2004","60","1","i9","i10","10.1107/S0108270103026994","","","0.71069","MoKα","","0.0218","0.0199","","","0.0533","0.0539","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013810","6.8348","0.0002","8.8863","0.0003","9.8177","0.0003","90","","101.789","0.001","90","","583.71","0.03","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","indium holmiuium digermanate","","- Ge2 Ho In O7 -","- Ge2 Ho In O7 -","- Ge8 Ho4 In4 O28 -","4","0.5","IZ1037","Juarez-Arellano, Erick A.; Rosales, Ivonne; Oliver, Alicia; Ruvalcaba, Jose Luis; Carbonio, Raul E.; Bucio, Lauro; Orozco, Eligio","In~1.06~Ho~0.94~Ge~2~O~7~: a thortveitite-type compound","Acta Crystallographica Section C","2004","60","2","i14","i16","10.1107/S0108270103029056","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013811","8.021","0.002","20.457","0.004","8.739","0.002","90","","107.41","0.03","90","","1368.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cesium tetrachromate","dicesium tetrachromium(VI) oxide","","- Cr4 Cs2 O13 -","- Cr4 Cs2 O13 -","- Cr16 Cs8 O52 -","4","1","IZ1038","Kolitsch, Uwe","Cs~2~Cr~4~O~13~: a new structure type among alkali tetrachromates","Acta Crystallographica Section C","2004","60","2","i17","i19","10.1107/S0108270103029068","","","0.71073","MoKα","","0.0336","0.0243","","","0.0557","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013812","17.5679","0.001","7.1586","0.0003","17.73","0.001","90","","105.203","0.004","90","","2151.7","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","12-Oxa-5,7-diazadibenzo[a,f]cyclonona-1,6-dien-6-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","JZ1596","Böhmer, Volker; Meshcheryakov, Denys; Thondorf, Iris; Bolte, Michael","3-Oxa-6,8-diaza-1,2:4,5-dibenzocycloocta-1,4-dien-7-one: a three-dimensional network assembled by hydrogen-bonding, π‒π and edge-to-face interactions","Acta Crystallographica Section C","2004","60","2","o136","o139","10.1107/S0108270103027586","","","0.71073","MoKα","","0.042","0.035","","","0.091","0.093","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013813","19.697","0.004","7.152","0.001","12.949","0.003","90","","100.34","0.02","90","","1794.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-[(2,4-dinitrophenyl)hydrazonomethyl]benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxybenzaldehyde 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C16 H17 N5 O7 -","- C16 H17 N5 O7 -","- C64 H68 N20 O28 -","4","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.109","0.051","","","0.113","0.137","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013814","7.928","0.001","9.146","0.001","14.362","0.002","104.45","0.01","91.04","0.01","108.8","0.01","949.1","0.2","293","2","288","2","","","","","","","","4","P -1","-P 1","2","4-{1-[(2,4-dinitrophenyl)-hydrazono]ethyl}benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C17 H19 N5 O7 -","- C17 H19 N5 O7 -","- C34 H38 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.079","0.047","","","0.123","0.142","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013815","7.8155","0.0009","11.549","0.002","13.904","0.002","100.38","0.01","95.8","0.01","102.74","0.01","1191","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-{[(2,4-dinitrophenyl)hydrazono]phenylmethyl}benzene-1,3-diol N,N-dimethylacetamide solvate","2,4-dihydroxybenzophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C23 H23 N5 O7 -","- C23 H23 N5 O7 -","- C46 H46 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.097","0.057","","","0.146","0.171","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013816","12.016","0.003","10.347","0.002","19.233","0.004","90","","90","","90","","2391.2","0.9","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","COT-dimer","6a,6b,12a,12b-tetrahydrocycloocta[3,4]cyclobuta[a]cyclooctene","","- C16 H16 -","- C16 H16 -","- C128 H128 -","8","2","LN1180","Mehta, Goverdhan; Vanessa, Gagliardini; Islam, Kabirul; Kailasam Venkatesan","6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene","Acta Crystallographica Section C","2004","60","1","o90","o93","10.1107/S0108270103024181","","","0.71073","MoKα","","0.0507","0.0419","","","0.1089","0.1149","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013817","12.6847","0.0017","9.2934","0.0017","16.266","0.003","90","","90","","90","","1917.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androst-6-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","NA1627","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","17-Oxo-5α-androst-6-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","1","o72","o74","10.1107/S0108270103026933","","","0.71073","MoKα","","0.129","0.044","","","0.103","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013818","9.6876","0.0009","10.2079","0.001","11.3561","0.0011","86.808","0.001","72.141","0.001","64.928","0.001","964.58","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-dihydrogen benzene-1,2,4,5- tetracarboxylato]","","- C22 H14 Co N2 O9 -","- C22 H14 Co N2 O9 -","- C44 H28 Co2 N4 O18 -","2","1","NA1629","Mao-Lin Hu; Hong-Ping Xiao; Ji-Xin Yuan","Polymeric aqua(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section C","2004","60","3","m112","m113","10.1107/S0108270103029445","","","0.71073","MoKα","","0.0259","0.0252","","","0.0651","0.0656","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013819","12.7655","0.0005","12.7655","0.0005","24.1122","0.0011","90","","90","","90","","3929.3","0.3","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.0648","0.045","","","0.114","0.1297","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013820","12.7635","0.001","10.0278","0.0009","23.2629","0.0013","90","","91.496","0.005","90","","2976.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,6'-di-tert-butyl-8,8'-methylenebis(spiro[4H-1,3-benzodioxine-2,1'- cyclohexane])","","- C35 H48 O4 -","- C35 H48 O4 -","- C140 H192 O16 -","4","1","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.1089","0.0556","","","0.1214","0.1469","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013821","9.582","0.003","10.157","0.003","11.384","0.004","90.305","0.006","105.358","0.006","112.405","0.005","980.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine -2,2-dicarboxylate","","- C20 H20 F N O6 -","- C20 H20 F N O6 -","- C40 H40 F2 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.07","0.0461","","","0.1159","0.1297","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013822","9.5478","0.0009","10.2319","0.0009","12.5088","0.0011","72.749","0.002","86.206","0.002","64.31","0.002","1048.91","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(3,4-dchlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","","- C20 H19 Cl2 N O6 -","- C20 H19 Cl2 N O6 -","- C40 H38 Cl4 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.0709","0.0482","","","0.1252","0.1402","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013823","23.721","0.005","7.18","0.001","13.961","0.003","90","","100.45","0.03","90","","2338.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] 3-fluorobenzoate monohydrate]","","- C9 H14 Ag F N2 O3 -","- C9 H14 Ag F N2 O3 -","- C72 H112 Ag8 F8 N16 O24 -","8","1","NA1632","You, Zhong-Lu; Yang, Li; Zou, Ying; Zeng, Wei-Jie; Liu, Wei-Sheng; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] 3-fluorobenzoate monohydrate]","Acta Crystallographica Section C","2004","60","3","m117","m118","10.1107/S0108270103028683","","","0.71073","MoKα","","0.0507","0.04","","","0.0864","0.0912","","","","","","1.072","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013824","11.102","0.002","15.478","0.003","14.493","0.003","90","","104.75","0.01","90","","2408.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[μ-4,4'-bipyridyl-bis[aqua(p-aminobenzoato)copper(II)]]- di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","","- C44 H48 Cu2 N10 O16 -","- C44 H48 Cu2 N10 O16 -","- C88 H96 Cu4 N20 O32 -","2","0.5","NA1636","Hu, Da-Hua; Huang, Wei; Cui, Kai; Li, Yi-Zhi; Gou, Shao-Hua; Yan, Ji-Lin","A polymeric ladder complex: <i>catena</i>-poly[[[μ-4,4'-bipyridyl-bis[aqua(<i>p</i>-aminobenzoato)copper(II)]]-di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","Acta Crystallographica Section C","2004","60","2","m91","m93","10.1107/S0108270104000411","","","0.71073","MoKα","","0.0439","0.038","","","0.1097","0.1124","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013825","10.006","0.004","13.347","0.002","15.531","0.002","103.71","0.01","102.78","0.02","108.37","0.02","1811.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-di-n-butyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')zinc(II) ethanol hemisolvate","","- C31 H47 N4 O0.5 S4 Zn -","- C31 H47 N4 O0.5 S4 Zn -","- C62 H94 N8 O S8 Zn2 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0465","0.0434","","","0.1464","0.1492","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","203559","2020-10-21","18:00:00",""
"2013826","11.875","0.004","13.129","0.002","17.547","0.004","72.29","0.01","80.91","0.02","84.2","0.02","2569.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(N,N-di-n-hexyldithiocarbamato-κ^2^S,S')bis(1,10-phenanthroline- κ^2^N,N')calcium(II)","","- C50 H68 Ca N6 S4 -","- C50 H68 Ca N6 S4 -","- C100 H136 Ca2 N12 S8 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0461","0.0423","","","0.1489","0.1546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013827","15.4031","0.0008","5.8621","0.0004","15.4902","0.0009","90","","113.237","0.003","90","","1285.22","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","NA1640","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1-Methyl-1<i>H</i>-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","Acta Crystallographica Section C","2004","60","3","o217","o218","10.1107/S0108270104002550","","","0.71073","MoKα","","0.0859","0.0517","","","0.11","0.1255","","","","","","1.565","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013828","34.136","0.007","6.4633","0.0013","26.356","0.005","90","","123.85","0.03","90","","4829","2","190","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H20 F20 Fe N4 -","- C56 H20 F20 Fe N4 -","- C224 H80 F80 Fe4 N16 -","4","0.5","OB1150","Oh, Yunghee; Shin, Byoung-Chul; Swenson, Dale; Goff, Harold M.; Kang, Sung Kwon","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]iron(II) benzene disolvate","Acta Crystallographica Section C","2004","60","2","m57","m59","10.1107/S0108270103028051","","","0.71073","MoKα","","","0.0369","","","","0.1087","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013829","7.4169","0.0004","21.5662","0.001","8.7502","0.0004","90","","90.257","0.001","90","","1399.62","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(2-aminomethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C26 H24 N6 O6 S2 Zn -","- C26 H24 N6 O6 S2 Zn -","- C52 H48 N12 O12 S4 Zn2 -","2","0.5","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0652","0.0408","","","0.1015","0.1105","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013830","9.1654","0.0004","13.9784","0.0006","17.4679","0.0007","90","","100.522","0.001","90","","2200.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-aminoethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C21 H18 N4 O6 S2 Zn -","- C21 H18 N4 O6 S2 Zn -","- C84 H72 N16 O24 S8 Zn4 -","4","1","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0592","0.033","","","0.0728","0.0805","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013831","13.1406","0.0011","14.0664","0.0012","9.7823","0.001","90","","97.415","0.019","90","","1793","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-aqua-μ- succinato-κ^2^O^1^:O^4^]","","- C18 H18 Cd N4 O5 -","- C18 H18 Cd N4 O5 -","- C72 H72 Cd4 N16 O20 -","4","0.5","OB1153","Liu, Bing-Xin; Xu, Duan-Jun","Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-aqua-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m39","m41","10.1107/S0108270103027847","","","0.71073","MoKα","","0.025","0.023","","","0.071","0.072","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013832","7.4315","0.0018","8.474","0.002","10.991","0.003","67.889","0.004","85.22","0.004","81.617","0.004","634.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2-chlorophenyl m-nitrobenzenesulfonate","2-chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0336","0.0312","","","0.0817","0.0833","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013833","6.878","0.005","13.33","0.01","14.99","0.011","90","","90","","90","","1374.3","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorophenyl 3-nitrobenzenesulfonate","","- C12 H7 Cl2 N O5 S -","- C12 H7 Cl2 N O5 S -","- C48 H28 Cl8 N4 O20 S4 -","4","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0335","0.0321","","","0.0804","0.0813","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013834","22.2498","0.0017","13.6859","0.001","22.1298","0.0016","90","","90.459","0.001","90","","6738.5","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridine-κ^2^N,N')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","","- C66 H64 Cl Fe N18 O8 Ru2 -","- C66 H48 Cl Fe N18 O8 Ru2 -","- C264 H192 Cl4 Fe4 N72 O32 Ru8 -","4","0.5","OB1155","Sakai, Ken; Uchida, Yuichi; Kajiwara, Takashi; Ito, Tasuku","Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","Acta Crystallographica Section C","2004","60","2","m65","m68","10.1107/S0108270103028841","","","0.71073","MoKα","","0.1008","0.0578","","","0.1244","0.133","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013835","9.087","0.001","9.44","0.001","9.982","0.0009","90.458","0.009","113.095","0.009","111.077","0.009","723.78","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^N,N')(1,1-cyclobutanedicarboxylato- κ^2^O,O')palladium(II)","","- C16 H14 N2 O4 Pd -","- C16 H14 N2 O4 Pd -","- C32 H28 N4 O8 Pd2 -","2","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.0215","","","","0.0572","","","","","","1.3","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013836","17.219","0.002","18.875","0.002","5.268","0.002","90","","90","","90","","1712.1","0.7","296.2","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate","","- C18 H16 N2 O5 Pd -","- C18 H16 N2 O5 Pd -","- C72 H64 N8 O20 Pd4 -","4","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.028","","","","0.079","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013837","11.079","0.002","11.826","0.003","13.678","0.004","85.5","0.02","84.55","0.02","85.87","0.02","1774.7","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) dihydrate","","- C18 H18 N2 O6 Pd -","- C18 H18 N2 O6 Pd -","- C72 H72 N8 O24 Pd4 -","4","2","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013838","8.6251","0.001","12.7842","0.0015","14.7039","0.0017","94.557","0.002","94.063","0.002","92.637","0.002","1610","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^N,N')(1,10-phenanthroline-κ^2^N,N')ruthenium(II) tetracyanoplatinate(II)","","- C36 H24 N10 Pt Ru -","- C36 H22 N10 Pt Ru -","- C72 H44 N20 Pt2 Ru2 -","2","1","OB1157","Sakai, Ken; Miyabe, Yoshinobu","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetracyanoplatinate(II)","Acta Crystallographica Section C","2004","60","2","m69","m72","10.1107/S0108270103029500","","","0.71073","MoKα","","0.0361","0.0302","","","0.066","0.0677","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013839","8.2743","0.0003","11.3537","0.0003","23.4382","0.0008","90","","96.579","0.001","90","","2187.38","0.12","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au F4 P S -","- C24 H16 Au F4 P S -","- C96 H64 Au4 F16 P4 S4 -","4","1","OB1163","Watase, Seiji; Kitamura, Takayuki; Kanehisa, Nobuko; Nakamoto, Masami; Kai, Yasushi; Shozo Yanagida","A quadrupole‒quadrupole stacking synthon in (2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section C","2004","60","3","m104","m106","10.1107/S010827010400157X","","","0.7107","MoKα","","","0.0366","","","","0.1032","","","","","","1.581","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013840","9.5953","0.0006","9.5953","0.0006","7.0418","0.0004","90","","90","","120","","561.48","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","lead bismuth calcium sodium phosphate","Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~.","","- Bi0.4 Ca2.59 Na2.39 O24 P6 Pb4.61 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","1","0.0833333","SK1662","Besma Hamdi; Jean-Michel Savariault; Hafed El Feki; Abdelhamid Ben Salah","Lead bismuth calcium sodium phosphate: Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~","Acta Crystallographica Section C","2004","60","1","i1","i2","10.1107/S0108270103024971","","","0.71073","MoKα","","0.0893","0.0411","","","0.0656","0.0747","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013841","5.791","0.001","7.411","0.001","10.736","0.002","90.05","0.03","105.02","0.03","112.61","0.03","408.2","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ammonium cadmium selenite selenate","tetraammonium cadmium dihydrogenselenite(IV) diselenate(VI)","","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","1","0.5","SK1663","Kolitsch, Uwe","(NH~4~)~4~Cd(HSe^IV^O~3~)~2~(Se^VI^O~4~)~2~: a new structure type with kröhnkite-like chains","Acta Crystallographica Section C","2004","60","1","i3","i6","10.1107/S0108270103026040","","","0.71073","MoKα","","0.049","0.038","","","0.096","0.101","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013842","6.639","0.001","7.313","0.001","10.078","0.002","90","","92.46","0.03","90","","488.85","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Rubidium chromium(III) oxalate dihydrate","Diaquabis(μ-oxalato)chromium(III)rubidium(I)","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C8 H8 Cr2 O20 Rb2 -","2","0.25","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0239","0.0217","","","0.0583","0.0602","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013843","17.045","0.003","7.368","0.001","13.588","0.003","90","","128.61","0.03","90","","1333.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dicaesium magnesium oxalate tetrahydrate","Tetraaquabis(μ-oxalato)magnesium(II)dicaesium(I)","","- C4 H8 Cs2 Mg O12 -","- C4 H8 Cs2 Mg O12 -","- C16 H32 Cs8 Mg4 O48 -","4","0.5","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.021","0.0182","","","0.0385","0.0395","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013844","7","0.001","8.949","0.002","8.982","0.002","108.05","0.03","97.69","0.03","97.99","0.03","520.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dirubidium copper(II) oxalate dihydrate","Diaquabis(μ-oxalato)copper(II)dirubidium(I)","","- C4 H4 Cu O10 Rb2 -","- C4 H4 Cu O10 Rb2 -","- C8 H8 Cu2 O20 Rb4 -","2","1","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0303","0.0241","","","0.0565","0.059","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013845","16.002","0.0012","9.4123","0.0008","10.5752","0.0007","90","","121.664","0.005","90","","1355.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C56 H40 Cl8 N16 -","4","0.5","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0449","0.0357","","","0.0923","0.0985","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013846","12.3382","0.0014","8.6777","0.0009","25.968","0.004","90","","90","","90","","2780.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C112 H80 Cl16 N32 -","8","1","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0644","0.0364","","","0.0872","0.0975","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013847","7.365","0.003","15.5549","0.0012","21.199","0.004","90","","90","","90","","2428.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,7α,12α-triformyloxy-24-nor-5β-chol-22-ene","24-nor-5β-chol-22-ene-3β,7α,12α-triyl triformate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","SK1674","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Tavares da Silva, E.J.; Sá e Melo, M.L.; Fernandes Roleira, F.M.","3β,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section C","2004","60","1","o82","o83","10.1107/S0108270103024521","","","1.5418","CuKα","","0.0471","0.0353","","","0.0936","0.1008","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013848","7.9449","0.001","10.7342","0.0011","10.8835","0.0012","89.0403","0.0012","69.574","0.0011","82.2042","0.0015","861.3","0.17","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cr N5 O6 S2 -","- C10 H15 Cl Cr N5 O6 S2 -","- C20 H30 Cl2 Cr2 N10 O12 S4 -","2","1","SK1675","Bing-Xin Liu; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromium(III) chloride monohydrate","Acta Crystallographica Section C","2004","60","3","m137","m139","10.1107/S0108270104002288","","","0.71073","MoKα","","0.032","0.029","","","0.082","0.084","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013849","7.0415","0.0002","21.4704","0.0007","8.057","0.0003","90","","108.48","0.0016","90","","1155.27","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-(Benzoyloxy)benzamidine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0909","0.0493","","","0.11","0.1289","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013850","9.3808","0.0001","24.9553","0.0004","10.3277","0.0001","90","","90","","90","","2417.72","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^2^-(2-Hydroxybenzoyloxy)benzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0484","0.0391","","","0.0984","0.1048","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013851","4.6463","0.0003","22.128","0.0013","11.9551","0.0009","90","","99.202","0.003","90","","1213.33","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-Benzoyloxy-2-hydroxybenzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.1248","0.0556","","","0.1089","0.1331","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013852","34.3749","0.0008","34.3749","0.0008","5.7585","0.0001","90","","90","","120","","5892.8","0.2","160","2","160","2","","","","","","","","4","R 3 :H","R 3","146","","16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol","","- C30 H39 Cl O4 -","- C30 H39 Cl O4 -","- C270 H351 Cl9 O36 -","9","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.066","0.049","","","0.117","0.127","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013853","6.4219","0.0001","32.4115","0.0005","8.0981","0.0001","90","","99.651","0.0007","90","","1661.71","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]- 3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C37 H56 N2 O4 -","- C37 H56 N2 O4 -","- C74 H112 N4 O8 -","2","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.046","0.037","","","0.086","0.092","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013854","30.0604","0.0009","13.5628","0.0004","7.0263","0.0002","90","","101.39","0.002","90","","2808.23","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.0454","0.0299","","","0.0642","0.0696","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013855","32.359","0.002","4.6293","0.0003","18.4169","0.0015","90","","97.631","0.003","90","","2734.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.133","0.0464","","","0.0689","0.0865","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013856","4.9348","0.0004","27.825","0.002","10.3893","0.0009","90","","101.076","0.002","90","","1399.99","0.19","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Iodobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.1345","0.0441","","","0.0832","0.1061","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013857","10.328","0.0009","12.0802","0.0011","8.4369","0.0007","90","","100.673","0.008","90","","1034.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-chloroanthracene","","- C14 H9 Cl -","- C14 H9 Cl -","- C56 H36 Cl4 -","4","1","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.065","0.057","","","0.151","0.161","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013858","20.232","0.002","11.0746","0.0013","9.0872","0.0011","90","","101.475","0.01","90","","1995.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1-chloroanthracene photodimer","trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl)","","- C28 H18 Cl2 -","- C28 H18 Cl2 -","- C112 H72 Cl8 -","4","0.5","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.061","0.045","","","0.109","0.119","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013859","8.2495","0.0003","3.8591","0.0001","19.2181","0.0006","90","","93.168","0.001","90","","610.89","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium carbamoyldicyanomethanide","","- C4 H2 K N3 O -","- C4 H2 K N3 O -","- C16 H8 K4 N12 O4 -","4","1","SK1682","Schlueter, John A.; Geiser, Urs","Potassium carbamoyldicyanomethanide","Acta Crystallographica Section C","2004","60","1","m10","m12","10.1107/S0108270103026568","","","0.71073","MoKα","","0.0313","0.0267","","","0.0699","0.0722","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013860","8.076","0.001","8.084","0.001","8.808","0.001","105.34","0.02","114.53","0.02","102.51","0.02","468.28","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']bis[nitratosilver(I)]","","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0212","0.0204","","","0.0521","0.0526","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013861","7.512","0.001","8.015","0.001","8.886","0.001","111.88","0.02","101.38","0.02","106.57","0.02","447.28","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']dicopper(I)]-di-μ-iodo]","","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0209","0.0195","","","0.0493","0.0499","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013862","11.2316","0.0004","17.7275","0.0007","7.1078","0.0002","90","","94.63","0.003","90","","1410.6","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-4-nitroaniline","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C56 H40 N24 O16 -","8","2","SK1684","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: π-stacked sheets of <i>R</i>f̱{_4^4}(20) and <i>R</i>f̱{_4^4}(28) rings in 2-cyano-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o35","o37","10.1107/S0108270103027057","","","0.71073","MoKα","","0.083","0.044","","","0.109","0.126","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013863","7.2655","0.001","9.5032","0.0013","10.074","0.0015","86.665","0.012","75.553","0.013","83.068","0.01","668.36","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Br2 N2 O2 S -","- C10 H16 Br2 N2 O2 S -","- C20 H32 Br4 N4 O4 S2 -","2","1","SK1685","Blake, Alexander J.; Lippolis, Vito; Schröder, Martin","Intramolecular cyclization of 4,7-bis(2-bromoacetyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","2004","60","1","o100","o102","10.1107/S010827010302732X","","","0.71073","MoKα","","0.0508","0.046","","","0.119","0.126","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013864","6.1522","0.0002","7.855","0.0003","7.9939","0.0003","83.684","0.003","89.32","0.002","88.43","0.003","383.81","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-nitrophenyl sulfoxide","","- C7 H7 N O3 S -","- C7 H7 N O3 S -","- C14 H14 N2 O6 S2 -","2","1","SK1686","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Methyl 4-nitrophenyl sulfoxide: π-stacked chains of hydrogen-bonded <i>R</i>f̱{_2^2}(10) dimers","Acta Crystallographica Section C","2004","60","1","o87","o89","10.1107/S0108270103027616","","","0.71073","MoKα","","0.034","0.03","","","0.077","0.079","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013865","15.8657","0.0005","7.2366","0.0001","16.4224","0.0005","90","","110.304","0.001","90","","1768.36","0.08","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","2-Methanesulfonyl-4-nitroaniline","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C56 H64 N16 O32 S8 -","8","1","SK1687","Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o84","o86","10.1107/S0108270103027641","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.086","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013866","6.1318","0.0002","17.3938","0.0005","22.321","0.0007","90","","90","","90","","2380.65","0.13","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(4-isopropylbenzylidene)androst-4-ene-3,17-dione","","- C29 H36 O2 -","- C29 H36 O2 -","- C116 H144 O8 -","4","1","SK1688","Thamotharan, S.; Parthasarathi, V.; Dubey, S.; Jindal, D.P.; Linden, Anthony","16-(4-Isopropylbenzylidene)androst-4-ene-3,17-dione","Acta Crystallographica Section C","2004","60","2","o110","o112","10.1107/S0108270103028038","","","0.71073","MoKα","","0.0581","0.0446","","","0.1068","0.1156","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013867","14.178","0.0009","14.4118","0.0006","15.5442","0.0011","90","","101.799","0.008","90","","3109","0.3","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-benzoato-κ^2^O,O'-bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7- dimethoxyisoquinoline-κN)zinc(II)}","","- C68 H62 N2 O16 Zn2 -","- C68 H62 N2 O16 Zn2 -","- C136 H124 N4 O32 Zn4 -","2","0.5","SK1689","Zeleňák, Vladimír; Sabo, Michal; Massa, Werner; Černák, Juraj","Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis({1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-κ<i>N</i>}zinc(II)): the first crystal structure with papaverine as a ligand","Acta Crystallographica Section C","2004","60","2","m85","m87","10.1107/S010827010302883X","","","0.71073","MoKα","","0.068","0.0362","","","0.0799","0.0879","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013868","6.1855","0.0001","7.5511","0.0001","22.6406","0.0004","90","","95.9439","0.001","90","","1051.8","0.03","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-3α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost- 5-en-3β-yl acetate","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","SK1690","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","2","o161","o162","10.1107/S0108270103028452","","","0.71073","MoKα","","0.057","0.043","","","0.098","0.108","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013869","9.702","0.005","9.75","0.005","10.106","0.006","83.24","0.05","79.72","0.04","72.92","0.04","897","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Butyl-1-(5-nitrobenzo[c][1,2]thiazol-3-yl)-3-phenyltriazene","","- C17 H17 N5 O2 S -","- C17 H17 N5 O2 S -","- C34 H34 N10 O4 S2 -","2","1","SK1691","Viktor Kettmann; Jan Lokaj; Jozef Kožíšek; Josef Přikryl; Vladimír Macháček","3-Butyl-1-(5-nitrobenzo[<i>c</i>][1,2]thiazol-3-yl)-3-phenyltriazene","Acta Crystallographica Section C","2004","60","2","o143","o145","10.1107/S0108270103029433","","","0.71073","MoKα","","0.1631","0.0667","","","0.1339","0.1634","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013870","13.5243","0.0002","7.3983","0.0001","21.8934","0.0003","90","","102.156","0.0008","90","","2141.47","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-(p-fluorophenyl)-17a-aza-2'H-pyrazolo[4',3':16,17]-D-homoandrost-4-en-3-one","","- C26 H30 F N3 O -","- C26 H30 F N3 O -","- C104 H120 F4 N12 O4 -","4","2","SK1692","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","An aza-steroidal [17,16-<i>c</i>]pyrazole derivative: 2'-(<i>p</i>-fluorophenyl)-17a-aza-2'<i>H</i>-pyrazolo[4',3':16,17]-<i>D</i>-homoandrost-4-en-3-one","Acta Crystallographica Section C","2004","60","2","o158","o160","10.1107/S0108270103029159","","","0.71073","MoKα","","0.0562","0.0411","","","0.0908","0.0995","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013871","5.9581","0.0002","18.3064","0.0011","12.0776","0.0007","90","","93.415","0.0012","90","","1314.98","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","SK1695","Low, John N.; Cobo, Justo; Abonia, Rodrigo; Quiroga, Jairo; Glidewell, Christopher","5-Amino-3-<i>tert</i>-butyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole forms hydrogen-bonded sheets of alternating <i>R</i>_<b>2</b>^<b>2</b>(20) and <i>R</i>_<b>6</b>^<b>6</b>(32) rings","Acta Crystallographica Section C","2004","60","3","o194","o195","10.1107/S0108270104000678","","","0.71073","MoKα","","0.1176","0.0515","","","0.1014","0.1239","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013872","8.2969","0.0003","13.6898","0.0003","11.0388","0.0004","90","","96.7869","0.0018","90","","1245.03","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-2-Phenylethylammonium carboxymethylphosphonate(1-)","","- C10 H16 N O5 P -","- C10 H16 N O5 P -","- C40 H64 N4 O20 P4 -","4","1","SK1696","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>rac</i>-1-Phenylethylammonium carboxymethylphosphonate(1‒): hydrogen-bonded anion sheets with pendent cations","Acta Crystallographica Section C","2004","60","3","o183","o185","10.1107/S0108270104000939","","","0.71073","MoKα","","0.0454","0.0355","","","0.0891","0.0953","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013873","7.5524","0.0002","7.137","0.0003","28.6208","0.0011","90","","93.128","0.002","90","","1540.41","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-1-methyl-5-(2-hydroxy-4,4-dimethyl-2-oxocyclohexenylmethyl)- 2-(methylsulfanyl)pyrimidin-6(1H)-one","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","SK1697","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","4-Amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: hydrogen-bonded chains are π-stacked in pairs","Acta Crystallographica Section C","2004","60","3","o191","o193","10.1107/S0108270104001118","","","0.71073","MoKα","","0.0702","0.0422","","","0.0988","0.1091","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013874","10.685","0.0006","17.6182","0.0012","12.3774","0.0008","90","","108.523","0.004","90","","2209.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine- 4,6(3H,5H)-dione‒dimethylformamide (1/1)","","- C24 H21 Cl N4 O4 -","- C24 H21 Cl N4 O4 -","- C96 H84 Cl4 N16 O16 -","4","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.1558","0.0694","","","0.1272","0.1567","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013875","10.4172","0.0002","10.854","0.0003","11.6112","0.0003","94.2692","0.0012","116.068","0.0012","94.453","0.0013","1167.08","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(5RS,5aSR,10bSR)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a-10b- dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione‒ dimethylformamide (1/1)","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.0844","0.055","","","0.1288","0.148","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013876","18.1781","0.0004","18.1781","0.0004","18.1781","0.0004","90","","90","","90","","6006.8","0.2","100","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Tetrakis(tetramethylammonium)dodeca-μ-chloro-hexachloro-octahedro- hexatantalate chloride","","- C16 H48 Cl19 N4 Ta6 -","- C16 H48.001 Cl19 N4 Ta6 -","- C64 H192.004 Cl76 N16 Ta24 -","4","0.0208333","SQ1032","Vojnović, Marija; Jozić, Dražan; Bašic, Ivan; Rončević, Sanda; Planinić, Pavica","Tetrakis(tetramethylammonium) dodeca-μ-chloro-hexachloro-<i>octahedro</i>-hexatantalate chloride","Acta Crystallographica Section C","2004","60","1","m33","m34","10.1107/S0108270103025071","","","0.71073","MoKα","","0.0374","0.0272","","0.0622","","0.068","","","1.137","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013877","10.4244","0.0004","11.4988","0.0005","15.1602","0.0005","90","","90","","90","","1817.22","0.12","206","1","206","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2α, 4α-dibenzyl-3α-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3α-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0605","0.043","","","0.0893","0.0957","","","","","","1.441","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013878","17.858","0.0008","10.548","0.0009","9.2364","0.0008","90","","90","","90","","1739.8","0.2","173","1","173","1","","","","","","","","4","C m c 21","C 2c -2","36","2α,4α-dibenzyl-3β-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3β-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","0.5","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0726","0.0497","","","0.0785","0.085","","","","","","1.485","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013879","13.946","0.004","9.805","0.002","17.236","0.004","90","","112.523","0.003","90","","2177.1","0.9","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Benzylbis(dimethylamino)methylsilyl-κ^2^C,N](N,N,N',N'- tetramethylethylenediamine-κ^2^N,N)lithium(I)","","- C18 H37 Li N4 Si -","- C18 H37 Li N4 Si -","- C72 H148 Li4 N16 Si4 -","4","1","SQ1140","Shi, He-Ping; Liu, Dian-Sheng; Huang, Shu-Ping","[Benzylbis(dimethylamino)methylsilyl-κ^2^<i>C</i>,<i>N</i>](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>)lithium(I)","Acta Crystallographica Section C","2004","60","3","m107","m109","10.1107/S0108270104000836","","","0.71073","MoKα","","0.0853","0.06","","","0.1228","0.1336","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013880","14.984","0.005","27.435","0.009","13.574","0.004","90","","113.22","0.005","90","","5128","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis(tetrahydrofuran-κO)lithium mer-tris(carbazolyl-κN)-trans-dichloro- (tetrahydrofuran-κO)zirconate","","- C56 H64 Cl2 Li N3 O5 Zr -","- C56 H64 Cl2 Li N3 O5 Zr -","- C224 H256 Cl8 Li4 N12 O20 Zr4 -","4","0.5","SQ1141","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","Tetrakis(tetrahydrofuran-κ<i>O</i>)lithium <i>mer</i>-tris(carbazolyl-κ<i>N</i>)-<i>trans</i>-dichloro(tetrahydrofuran-κ<i>O</i>)zirconate","Acta Crystallographica Section C","2004","60","2","m94","m96","10.1107/S0108270104000605","","","0.71073","MoKα","","0.0464","0.0323","","","0.0792","0.0884","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013881","13.3857","0.0019","19.467","0.003","20.823","0.003","90","","90","","90","","5426","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro{2,2'-[(1S,2S)-1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne]diphenolato-κ^4^O,N,N',O'}(ethanol- κO)manganese(III)","","- C30 H28 Cl Mn N2 O3 -","- C30 H28 Cl Mn N2 O3 -","- C240 H224 Cl8 Mn8 N16 O24 -","8","2","SQ1142","Korendovych, Ivan V.; Rybak-Akimova, Elena V.","Chloro{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-diphenyl-1,2-ethanediylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(ethanol-κ<i>O</i>)manganese(III)","Acta Crystallographica Section C","2004","60","2","m82","m84","10.1107/S0108270104000204","","","0.71073","MoKα","","0.0371","0.0299","","","0.0721","0.0762","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013882","7.9948","0.0001","21.6336","0.0002","17.2957","0.0001","90","","93.3241","0.0003","90","","2986.37","0.05","100","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C80 H128 Cl16 Hg8 N16 O16 S8 -","2","0.5","SQ1143","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","Tetrameric dichloro(trimethylammonio-<i>p</i>-toluenesulfonamidate)mercury(II)","Acta Crystallographica Section C","2004","60","2","m60","m62","10.1107/S0108270103028464","","","0.71073","MoKα","","","0.026","","","","0.068","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013883","7.2794","0.0007","12.5009","0.0012","14.4436","0.0014","90","","104.021","0.002","90","","1275.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C15 H9 Cu N2 O4 -","- C30 H18 Cu2 N4 O8 -","- C60 H36 Cu4 N8 O16 -","2","0.5","SQ1144","Xiao, Hong-Ping; Li, Xin-Hua; Yuan, Ji-Xin; Hu, Mao-Lin","<i>catena</i>-Poly[bis[(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m63","m64","10.1107/S0108270103028907","","","0.71073","MoKα","","0.0376","0.0358","","","0.0858","0.0869","","","","","","1.158","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013884","7.3531","0.0002","10.8223","0.0002","10.9197","0.0002","90","","94.469","0.002","90","","866.32","0.03","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N2 O16 P4 Zn -","- C6 H24 N2 O16 P4 Zn -","- C12 H48 N4 O32 P8 Zn2 -","2","0.5","SQ1145","Fernández, Daniel; Polla, Griselda; Vega, Daniel; Ellena, Javier A.","The Zn^2+^ salt of pamidronate: a role for water in the metal‒cation binding properties of bisphosphonates","Acta Crystallographica Section C","2004","60","2","m73","m75","10.1107/S0108270104000216","","","1.5418","CuKα","","","0.0368","","","","0.1001","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013885","37.91","0.07","7.694","0.007","8.705","0.009","90.03","0.01","90.086","0.007","90.146","0.002","2539","6","20","2","20","2","","","","","","","","6","P 1","P 1","1","barium nitroprusside trihydrate","barium pentacyanonitrosylferrate trihydrate","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C40 H48 Ba8 Fe8 N48 O32 -","8","8","SQ1146","Chevrier, G.; Kiat, J. M.; Güida, J. A.; Navaza, A.","A new crystal phase of barium nitroprusside trihydrate studied by neutron diffraction at 20K","Acta Crystallographica Section C","2004","60","3","i27","i29","10.1107/S0108270104000599","","neutron","1.548","neutron","","0.0797","0.0681","","0.0732","","0.0722","","","3.236","","","3.441","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013886","9.9331","0.0017","18.258","0.003","15.958","0.003","90","","104.168","0.003","90","","2806.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","triethylammonium tetraphenylborate dichloromethane solvate","","","- C31 H38 B Cl2 N -","- C31 H38 B Cl2 N -","- C124 H152 B4 Cl8 N4 -","4","1","SQ1147","Janzen, Daron E.; Mann, Kent R.","Triethylammonium tetraphenylborate dichloromethane solvate","Acta Crystallographica Section C","2004","60","3","o198","o199","10.1107/S0108270104000356","","","0.71069","MoKα","","0.0932","0.0688","","","0.1294","0.1396","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","192307","2020-10-21","18:00:00",""
"2013887","14.667","0.0003","34.0857","0.0008","6.3334","0.0001","90","","90","","90","","3166.29","0.11","293","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","0.71073","MoKα","","","0.0473","","","","0.1347","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013888","5.563","0.002","9.891","0.003","14.8","0.003","90","","95.02","0.02","90","","811.2","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","1.5418","CuKα","","","0.048","","","","0.1545","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013889","5.076","0.0002","10.076","0.0004","10.121","0.0005","95.691","0.001","102.529","0.001","103.73","0.002","484.65","0.04","293","2","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.043","","","","0.1178","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013890","12.9121","0.0006","5.3871","0.0003","14.8945","0.0007","90","","109.692","0.002","90","","975.45","0.09","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.0425","","","","0.1139","","","","","","1.012","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013891","5.8912","0.0011","10.0825","0.0012","11.0998","0.0017","90","","102.821","0.015","90","","642.87","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-1-(β-D-ribofuranosyl)-1H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C24 H26 N6 O12 -","2","1","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.061","0.047","","","0.116","0.126","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013892","4.9355","0.0013","35.936","0.005","7.1833","0.0009","90","","99.311","0.018","90","","1257.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-2-(β-D-ribofuranosyl)-2H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","2","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.095","0.061","","","0.146","0.17","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013893","8.3022","0.0014","10.0591","0.0017","12.393","0.002","66.73","0.002","72.047","0.002","68.828","0.002","869.9","0.3","183","2","183","2","","","","","","","","6","P 1","P 1","1","","Chloro(L-glutamato-κ^2^N,O)(1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate","","- C17 H18 Cl Cu N3 O5 -","- C17 H18 Cl Cu N3 O5 -","- C34 H36 Cl2 Cu2 N6 O10 -","2","2","SX1128","Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin","Chloro(<small>L</small>-glutamato-κ^2^<i>N</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section C","2004","60","1","m21","m23","10.1107/S0108270103026453","","","0.71073","MoKα","","0.048","0.046","","","0.119","0.121","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013894","9.2937","0.001","23.058","0.003","13.536","0.0016","90","","102.436","0.002","90","","2832.6","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octa-tert-butoxy-bis[μ~3~-2,2'-(N-methylimino)diethanolato]di-μ-oxo- tetratitanium(IV)","","- C42 H94 N2 O14 Ti4 -","- C42 H94 N2 O14 Ti4 -","- C84 H188 N4 O28 Ti8 -","2","0.5","TA1427","Kemmitt, Tim; Gainsford, Graeme J.; Al-Salim, Najeh I.","An oxo-bridged centrosymmetric tetranuclear titanium compound","Acta Crystallographica Section C","2004","60","2","m42","m43","10.1107/S0108270103027902","","","0.71073","MoKα","","0.091","0.043","","","0.083","0.098","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013895","7.5859","0.0008","8.9838","0.001","10.6729","0.0011","80.441","0.002","72.913","0.002","77.096","0.002","673.75","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[aqua(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","1","0.5","TA1428","Xiao, Hong-Ping; Hu, Mao-Lin; Shi, Qian; Li, Xin-Hua","<i>catena</i>-Poly[bis[aqua(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","1","m16","m17","10.1107/S0108270103027070","","","0.71073","MoKα","","0.029","0.027","","","0.071","0.071","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013896","10.758","0.006","8.951","0.005","8.425","0.005","111.24","0.04","100.94","0.04","105.74","0.04","689.3","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br N4 -","- C14 H13 Br N4 -","- C28 H26 Br2 N8 -","2","1","TA1429","Canty, Allan J.; Honeyman, R.Thomas; Skelton, Brian W.; White, Allan H.","1-Bromo-2,6-bis[(pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section C","2004","60","1","o98","o99","10.1107/S0108270103027525","","","0.71069","MoKα","","0.077","0.04","","0.155","","0.155","","","1.098","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013897","12.9439","0.0006","14.0499","0.0006","20.7267","0.0009","100.37","0.001","99.429","0.001","95.899","0.001","3623.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis[tetrakis(triphenylphosphine-κP)silver(I)] di-μ-trifluoroacetato-[dimethylbis(trifluoroacetato-κ^2^O:O')stannate(IV)]","","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","1","0.5","TA1433","Yang, Shi-Yao; Xie, Zhao-Xiong; Ng, Seik Weng","Bis[tetrakis(triphenylphosphine-κ<i>P</i>)silver(I)] di-μ-trifluoroacetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(trifluoroacetato-κ<i>O</i>)stannate(IV)]","Acta Crystallographica Section C","2004","60","3","m123","m125","10.1107/S0108270104001556","","","0.71073","MoKα","","0.064","0.048","","","0.108","0.113","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013898","7.135","0.0002","11.8614","0.0001","17.0675","0.0003","96.48","0.001","94.971","0.001","95.229","0.001","1422.36","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^O^2^,O^6^)tetrakis(μ-pyridine- 3,5-dicarboxylic acid-κ^2^N:O)tetracopper(II)","","","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","1","0.5","TR1072","Chaigneau, Julienne; Marrot, Jerome; Riou, Didier","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^6^)tetrakis(μ-pyridine-3,5-dicarboxylic acid-κ^2^<i>N</i>:<i>O</i>)tetracopper(II): a copper complex with tetrameric molecular units","Acta Crystallographica Section C","2004","60","3","m101","m103","10.1107/S0108270104001027","","","0.71073","MoKα","","0.097","0.0492","","","0.1256","0.1383","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013899","11.505","0.002","10.54","0.002","13.471","0.003","90","","112.66","0.03","90","","1507.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl (Z,Z)-3,3'-(1,2-ethanediyldinitrilo)dibut-2-enoate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","TY1002","Zhang, Zhenfeng; Jin, Shuo; Shang, Zhuobin; Huang, Shuping; Liu, Bo; Guo, Jianping","Diethyl (<i>Z</i>,<i>Z</i>)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate","Acta Crystallographica Section C","2004","60","3","o176","o177","10.1107/S0108270104000241","","","0.71073","MoKα","","0.0847","0.0757","","","0.1973","0.2062","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013900","8.5969","0.0004","5.6053","0.0002","15.5397","0.0007","90","","96.172","0.002","90","","744.49","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl-p-aminobenzoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","TY1003","Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Rando, Daniela G.; Ferreira, Elizabeth I.; Ellena, Javier","A new monoclinic polymorph of methyl <i>p</i>-aminobenzoate","Acta Crystallographica Section C","2004","60","1","o69","o71","10.1107/S0108270103027422","","","0.71073","MoKα","","","0.04","","","","0.104","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013901","8.1788","0.0006","6.1512","0.0004","34.09","0.003","90","","103.067","0.007","90","","1670.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0954","0.0796","","","0.2331","0.2504","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013902","15.7467","0.001","9.547","0.0004","11.4779","0.0006","90","","91.422","0.005","90","","1724.98","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(2-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0488","0.041","","","0.1179","0.1235","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013903","24.059","0.003","54.213","0.005","6.5223","0.0005","90","","90","","90","","8507.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-[1-[(3-fluoro-4-phenyl]ethyl]-6-(2-fluorobenzylidene)thiazolo[3,2-b]- 1,2,4-triazol-5(6H)-one","","- C25 H17 F2 N3 O S -","- C25 H17 F2 N3 O S -","- C400 H272 F32 N48 O16 S16 -","16","1","AV1166","Köysal, Yavuz; Işık, Şamil; Dog̃daş, Emine; Tozkoparan, Birsen; Ertan, Mevlüt","6-(2-Fluorobenzylidene)-2-[1-(2-fluoro-4-biphenyl)ethyl]thiazolo[3,2-<i>b</i>][1,2,4]triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o356","o357","10.1107/S010827010400410X","","","0.71073","MoKα","","0.1134","0.0369","","","0.0603","0.0689","","","","","","0.666","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013904","9.544","0.0019","15.711","0.003","15.888","0.003","90","","90","","90","","2382.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","vindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-8- methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1- cd]carbazole-5-carboxylate","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.1173","0.0408","","","0.1178","0.1453","","","","","","1.034","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013905","8.08","0.0016","11.32","0.002","24.212","0.005","90","","90","","90","","2214.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","16-demethoxyvindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-6-methyl- 3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.0921","0.0382","","","0.1109","0.1345","","","","","","1.025","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013906","7.7537","0.0013","10.436","0.003","15.937","0.003","90","","96.142","0.013","90","","1282.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Phenyl-5-(piperidinomethyl)-1H-tetrazole","","- C13 H17 N5 -","- C13 H17 N5 -","- C52 H68 N20 -","4","1","AV1171","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","1-Phenyl-5-(piperidinomethyl)-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","4","o293","o294","10.1107/S0108270104005554","","","0.71073","MoKα","","0.0573","0.0421","","","0.1082","0.1198","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013907","9.878","0.002","11.813","0.002","14.837","0.003","90","","104.69","0.03","90","","1674.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) nitrite","","- C10 H24 Cr N7 O6 -","- C10 H24 Cr N7 O6 -","- C40 H96 Cr4 N28 O24 -","4","0.5","AV1172","Jong-Ha Choi; In-Gyung Oh; Woo-Taik Lim; Ki-Min Park","<i>cis</i>-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) nitrite","Acta Crystallographica Section C","2004","60","6","m238","m240","10.1107/S0108270104007656","","","0.71069","MoKα","","0.0429","0.0376","","","0.0989","0.1029","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013908","12.3427","0.0003","10.4806","0.0003","15.7966","0.0004","90","","101.947","0.001","90","","1999.17","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-2,3-pyrazinedicarboxylate-nitrate-(1,10-phenanthroline)europium(III) monohydrate","","- C18 H14 Eu N5 O9 -","- C18 H14 Eu N5 O9 -","- C72 H56 Eu4 N20 O36 -","4","1","AV1173","Hu, Mao-Lin; Yuan, Ji-Xin; Chen, Fan; Shi, Qian","Polymeric aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2,3-pyrazinedicarboxylato-κ^2^<i>N</i>,<i>O</i>)europium(III) monohydrate","Acta Crystallographica Section C","2004","60","4","m186","m188","10.1107/S0108270104005773","","","0.71073","MoKα","","0.0501","0.0378","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013909","5.3131","0.0006","17.727","0.002","23.382","0.003","90","","90","","90","","2202.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ~3~-N-tosyl-L-glutamato- κ^4^O,O':O'':O''']","","- C22 H21 Mn N3 O6 S -","- C22 H21 Mn N3 O6 S -","- C88 H84 Mn4 N12 O24 S4 -","4","1","AV1175","Fu-Pei Liang; Man-Sheng Chen; Rui-Xiang Hu; Zi-Lu Chen","A one-dimensional double-chain coordination polymer: [Mn(C~12~H~13~NO~6~S)(C~10~H~8~N~2~)]~<i>n~</i>","Acta Crystallographica Section C","2004","60","6","m269","m271","10.1107/S0108270104008893","","","0.71073","MoKα","","0.0288","0.025","","","0.0649","0.0671","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013910","14.254","0.003","15.173","0.003","15.852","0.003","72.882","0.003","67.976","0.002","75.191","0.003","2996.3","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","tetrachloro[μ-1,1,4,7,7-pentakis(1H-benzimidazol-2-ylmethyl)-1,4,7- triazaheptane]dimanganese(II) methanol pentasolvate tetrahydrate","","- C49 H71 Cl4 Mn2 N13 O9 -","- C49 H71 Cl4 Mn2 N13 O9 -","- C98 H142 Cl8 Mn4 N26 O18 -","2","1","AV1176","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","A novel bridged asymmetric binuclear manganese(II) complex with DTPB [DTPB is 1,1,4,7,7-pentakis(1<i>H</i>-benzimidazol-2-ylmethyl)-1,4,7-triazaheptane]","Acta Crystallographica Section C","2004","60","5","m221","m223","10.1107/S0108270104007668","","","0.71073","MoKα","","0.1134","0.075","","","0.1811","0.1986","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013911","10.2545","0.0007","10.8207","0.0008","13.7264","0.001","91.305","0.001","90.461","0.002","112.655","0.002","1404.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'- bipyridine)hexacopper(II)] dihydrate]","","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","1","0.5","AV1177","Yang, E.; Zhang, Jian; Wen, Yi-Hang; Chen, Yu-Biao; Kang, Yao; Li, Zhao-Ji; Yao, Yuan-Gen","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'-bipyridine)hexacopper(II)] dihydrate]","Acta Crystallographica Section C","2004","60","6","m280","m282","10.1107/S0108270104008273","","","0.71073","MoKα","","","0.0544","","","0.1344","0.162","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013912","14.447","0.002","11.0153","0.0016","17.803","0.003","90","","90.602","0.003","90","","2833","0.7","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine","","- C38 H32 N2 -","- C38 H32 N2 -","- C152 H128 N8 -","4","2","AV1182","Zhang, Zhibin; Burkholder, Eric; Zubieta, Jon","Non-merohedrally twinned crystals of <i>N</i>,<i>N</i>'-bis(3-methylphenyl)-<i>N</i>,<i>N</i>'-diphenyl-1,1'-biphenyl-4,4'-diamine: an excellent triphenylamine-based hole transporter","Acta Crystallographica Section C","2004","60","6","o452","o454","10.1107/S0108270104010479","","","0.71073","MoKα","","0.1393","0.0629","","","0.1123","0.1303","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013913","11.707","0.0011","17.8824","0.0016","8.8647","0.0008","90","","99.713","0.002","90","","1829.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","","- C19 H18 Mn N3 O5 -","- C19 H18 Mn N3 O5 -","- C76 H72 Mn4 N12 O20 -","4","1","AV1183","Ma, Chengbing; Chen, Feng; Zhang, Chunxia; Hu, Mingqiang; Chen,Changneng; Liu, Qiutian","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","Acta Crystallographica Section C","2004","60","6","m285","m287","10.1107/S0108270104009953","","","0.71073","MoKα","","","0.0542","","","0.117","0.1383","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013914","13.7558","0.0002","9.7484","0.0001","7.1074","0.0001","90","","90","","90","","953.08","0.02","168","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium aquapentachlorochromate(III)","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.055","0.0377","","","0.0971","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013915","7.3868","0.0003","17.1107","0.0007","7.9848","0.0004","90","","90","","90","","1009.23","0.08","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Cesium aquapentachlorochromate(III)","","- Cl5 Cr Cs2 H2 O -","- Cl5 Cr Cs2 O -","- Cl20 Cr4 Cs8 O4 -","4","0.25","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.0749","0.0498","","","0.1355","0.1508","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013916","5.37119","0.00008","5.37119","","11.58104","0.00018","90","","90","","90","","334.109","0.007","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O4 -","- Ce4 Nb4 O16 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.81","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013917","5.37692","0.00008","5.37692","0.00008","11.59514","0.00018","90","","90","","90","","335.23","0.009","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O3.972 -","- Ce4 Nb4 O15.888 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.83","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013918","5.4208","0.0014","9.3881","0.0017","10.33","0.003","90","","100.06","0.02","90","","517.6","0.2","270","1","270","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.244 Fe3.756 H2 K O12 Si3 -","- Al0.488 Fe7.512 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0195","","","","0.0486","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013919","5.4106","0.0013","9.3709","0.0016","10.293","0.003","90","","100.03","0.02","90","","513.9","0.2","100","1","100","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.236 Fe3.764 H2 K O12 Si3 -","- Al0.472 Fe7.528 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0191","","","","0.0523","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013920","7.3131","0.001","7.2952","0.0008","7.1814","0.001","90","","116.205","0.01","90","","343.75","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hypophosphite","Potassium hypophosphite","","- H2 K O2 P -","- H2 K O2 P -","- H8 K4 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0328","0.0309","","","0.0774","0.0788","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013921","7.9835","0.0009","6.3678","0.0007","7.5755","0.0011","90","","90","","90","","385.12","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium hypophosphite","Rubidium hypophosphite","","- H2 O2 P Rb -","- H2 O2 P Rb -","- H8 O8 P4 Rb4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0404","0.0232","","","0.0522","0.0567","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013922","8.3776","0.0009","6.6271","0.0006","7.9165","0.001","90","","90","","90","","439.52","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Caesium hypophosphite","Caesium hypophosphite","","- Cs H2 O2 P -","- Cs H2 O2 P -","- Cs4 H8 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0504","0.0367","","","0.1018","0.1143","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013923","23.8384","0.0006","11.0248","0.0002","16.9332","0.0004","90","","118.005","0.001","90","","3929.18","0.16","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium magnesium decavanadate hydrate","dimagnesium disodium decavanadate icosahydrate","","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","BC1038","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~·20H~2~O and Mg~3~V~10~O~28~·28H~2~O","Acta Crystallographica Section C","2004","60","4","i43","i46","10.1107/S0108270104004676","","","0.71073","MoKα","","0.0397","0.0294","","","0.0721","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013924","10.4834","0.0001","10.7309","0.0002","21.2293","0.0004","90.751","0.001","97.866","0.001","103.663","0.001","2296.24","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","magnesium decavanadate hydrate","","","- H56 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~.20H~2~O and Mg~3~V~10~O~28~.28H~2~O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277836","2022-09-14","17:02:02",""
"2013925","3.853","0.0004","3.853","0.0004","3.853","0.0004","90","","90","","90","","57.2","0.01","296","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","strontium cobaltate","strontium cobalt(III, IV) oxide","","- Co O2.64 Sr -","- Co O2.64 Sr -","- Co O2.64 Sr -","1","0.0208333","BC1039","Nakatsuka, Akihiko; Yoshiasa, Akira; Nakayama, Noriaki; Mizota, Tadato; Takei, Humihiko","Oxygen-deficient strontium cobaltate, SrCoO~2.64~","Acta Crystallographica Section C","2004","60","5","i59","i60","10.1107/S0108270104006134","","","0.71069","MoKα","","0.025","0.021","","0.011","","0.011","","","","","","1.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013926","12.7854","0.0008","4.6647","0.0003","13.3343","0.0009","90","","91.738","0.001","90","","794.89","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethylenediammonium catena-arsenite","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.046","0.0394","","","0.1101","0.1149","","","","","","1.054","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013927","6.7762","0.0005","5.0901","0.0004","14.3098","0.0011","90","","90","","90","","493.57","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","sodium catena-arsenite","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.0607","0.0396","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013928","7.891","0.002","8.798","0.003","18.829","0.006","90","","94.597","0.005","90","","1303","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","p-Nitrophenyl 3-nitrobenzenesulfonate","4-Nitrophenyl 3-nitrobenzenesulfonate","","- C12 H8 N2 O7 S -","- C12 H8 N2 O7 S -","- C48 H32 N8 O28 S4 -","4","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0735","0.0613","","","0.1338","0.139","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013929","7.556","0.009","8.562","0.008","10.851","0.013","67.86","0.06","89.93","0.11","87.01","0.08","649.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4-Chlorophenyl m-nitrobenzenesulfonate","4-Chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0837","0.0651","","","0.1662","0.1825","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013930","10.7567","0.0019","9.8","0.009","12.926","0.004","90","","96.63","0.02","90","","1353.5","1.3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside (P—B)borane","","- C27 H32 B O6 P -","- C27 H32 B O6 P -","- C54 H64 B2 O12 P2 -","2","1","BM1560","Johansson, Magnus J.; Bergh, Anders; Larsson, Krister","Methyl 2,6-di-<i>O</i>-benzyl-3,4-<i>O</i>-phenylphosphinediyl-β-<small>D</small>-galactopyranoside(<i>P</i>—<i>B</i>)borane with chirality on the P atom","Acta Crystallographica Section C","2004","60","5","o312","o314","10.1107/S0108270104004287","","","0.71073","MoKα","","","0.0482","","","","0.1435","","","","","","1.043","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2013931","9.4086","0.0001","22.5317","0.0004","12.7279","0.0002","90","","101.986","0.0006","90","","2639.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) diperchlorate hydrate","","- C18 H26 Cl2 Fe N10 O9 -","- C18 H26 Cl2 Fe N10 O9 -","- C72 H104 Cl8 Fe4 N40 O36 -","4","1","BM1561","Michaele J. Hardie; Colin A. Kilner; Malcolm A. Halcrow","{Tris[4-(1<i>H</i>-pyrazol-3-yl)-3-azabut-3-enyl]amine}iron(II) diperchlorate monohydrate","Acta Crystallographica Section C","2004","60","4","m177","m179","10.1107/S010827010400407X","","","0.71073","MoKα","","0.0532","0.0372","","","0.0922","0.0993","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013932","15.433","0.004","11.437","0.003","17.048","0.005","90","","115.427","0.003","90","","2717.6","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-endo-threo-norbormide","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione","","- C33 H25 N3 O3 -","- C33 H25 N3 O3 -","- C132 H100 N12 O12 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.0841","0.0411","","","0.083","0.102","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013933","17.999","0.003","12.614","0.002","13.063","0.002","90","","110.834","0.002","90","","2771.9","0.8","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","trans-endo-threo-norbormide ethyl acetate hemi-solvate","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione ethyl acetate hemisolvate","","- C35 H29 N3 O4 -","- C35 H29 N3 O4 -","- C140 H116 N12 O16 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.1853","0.0616","","","0.1012","0.125","","","","","","0.885","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013934","8.859","0.001","12.83","0.002","12.615","0.001","90","","102.971","0.002","90","","1397.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.0815","0.0395","","","0.112","0.1265","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013935","9.703","0.001","15.856","0.001","18.845","0.0019","90","","101.962","0.005","90","","2836.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C128 H104 N8 O40 -","8","2","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.1441","0.0425","","","0.1193","0.1473","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013936","3.762","0.0002","10.686","0.004","16.447","0.009","90","","91.424","0.016","90","","661","0.4","120","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 O3 S -","- C7 H4 O3 S -","- C28 H16 O12 S4 -","4","1","BM1566","Byres, Maureen; Cox, Philip J.","The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone)","Acta Crystallographica Section C","2004","60","6","o395","o396","10.1107/S0108270104008236","","","0.71073","MoKα","","","0.0371","","","","0.0825","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013937","9.657","0.003","15.213","0.003","14.679","0.002","90","","106.01","0.03","90","","2072.9","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron 4,4'-bipyridinium dihydrate","4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","","- C19 H18 I N3 O6 S -","- C19 H16 I N3 O6 S -","- C76 H64 I4 N12 O24 S4 -","4","1","DE1227","Madhukar Hemamalini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonded supramolecular motifs in 4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","Acta Crystallographica Section C","2004","60","4","o284","o286","10.1107/S0108270104001295","","","0.71073","MoKα","","0.0841","0.0565","","","0.1402","0.1523","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013938","3.8338","0.0007","10.5755","0.0012","8.3938","0.0012","90","","96.182","0.014","90","","338.34","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[(pyridazine-κN)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","","- C5 H4 Cu N3 S -","- C5 H4 Cu N3 S -","- C10 H8 Cu2 N6 S2 -","2","1","DE1232","Näther, Christian; Jeß, Inke","Poly[[(pyridazine-κ<i>N</i>)copper(I)]-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>]","Acta Crystallographica Section C","2004","60","4","m153","m155","10.1107/S0108270104003750","","","0.71073","MoKα","","0.0441","0.0278","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013939","9.4773","0.0016","10.8506","0.0019","15.437","0.003","100.075","0.002","104.7","0.002","105.896","0.002","1424.9","0.4","190","2","190","2","","","","","","","","5","P 1","P 1","1","","(1R,2R)-(-)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}- 2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino) cyclohexane]tetralithium(I)","","- C42 H92 Li4 N14 Si4 -","- C42 H92 Li4 N16 Si4 -","- C42 H92 Li4 N16 Si4 -","1","1","DE1235","Hu, Jing-Hua; Tong, Hong-Bo; Li, Jian-Feng; Huang, Shu-Ping; Liu, Dian-Sheng","(1<i>R</i>,2<i>R</i>)-(‒)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}-2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino)cyclohexane]tetralithium(I)","Acta Crystallographica Section C","2004","60","6","m272","m274","10.1107/S0108270104008509","","","0.71073","MoKα","","0.0743","0.0657","","","0.1465","0.1561","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013940","21.871","0.004","7.0825","0.0014","11.417","0.002","90","","96.52","0.03","90","","1757.1","0.6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[5-(4-pyridyl N-oxide)tetrazolato-κN^2^]cadmium","","- C12 H16 Cd N10 O6 -","- C12 H16 Cd N10 O6 -","- C48 H64 Cd4 N40 O24 -","4","0.5","DE1236","Yu, Zhaoxiang; Wang, Xiaoping; Feng, Yaoyu","Tetraaquabis[5-(4-pyridyl <i>N</i>-oxide)tetrazolato-κ<i>N</i>^2^]cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide","Acta Crystallographica Section C","2004","60","4","m194","m196","10.1107/S0108270104005864","","","0.71073","MoKα","","0.0291","0.0263","","","0.0649","0.0662","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013941","7.7548","0.0012","10.5687","0.0016","12.1678","0.0019","88.238","0.003","77.76","0.002","69.813","0.002","913.7","0.2","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10- phenanthrolinecobalt(II)]]","","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","1","0.5","DE1237","Hu, Mao-Lin; Yuan, Ji-Xin; Xiao, Hong-Ping; Chen, Fan","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10-phenanthrolinecobalt(II)]]","Acta Crystallographica Section C","2004","60","6","m235","m237","10.1107/S0108270104007851","","","0.71073","MoKα","","0.0705","0.0661","","","0.1444","0.1466","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013942","10.734","0.005","14.786","0.005","8.533","0.005","90","","97.053","0.005","90","","1344","1.1","293","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.04","0.031","","","0.074","0.078","","","","","","0.93","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013943","6.746","0.005","12.529","0.005","15.556","0.005","90","","91.842","0.005","90","","1314.1","1.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.082","0.045","","","0.088","0.098","","","","","","0.84","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013944","22.635","0.002","3.733","0.0003","17.126","0.002","90","","102.054","0.008","90","","1415.2","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3-Formylphenyl)boronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","DN1046","Zarychta, Bartosz; Zaleski, Jacek; Sporzyński, Andrzej; Dąbrowski, Marek; Serwatowski, Janusz","3-Formylphenylboronic acid","Acta Crystallographica Section C","2004","60","5","o344","o345","10.1107/S0108270104006493","","","0.71073","MoKα","","0.0489","0.0363","","","0.0936","0.099","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013945","13.7622","0.0015","11.8849","0.0013","15.8788","0.0017","90","","107.914","0.002","90","","2471.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Z-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (Z)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C116 H100 O16 P4 -","4","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0582","0.0483","","","0.1198","0.127","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013946","14.8041","0.0009","18.0337","0.0012","18.1151","0.0012","90","","90","","90","","4836.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","E-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (E)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C232 H200 O32 P8 -","8","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0567","0.0425","","","0.1003","0.1062","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013947","12.016","0.002","14.141","0.002","15.406","0.002","90","","90","","90","","2617.8","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-dihydroxy-olean-12-en-27-oic acid","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","FA1051","Hong-Xiang Sun; Yuan-Jiang Pan","3β,6β-Dihydroxyolean-12-en-27-oic acid: a cytotoxic and apoptosis-inducing oleanane triterpenoid from the rhizome of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","4","o300","o302","10.1107/S0108270104005530","","","0.71073","MoKα","","0.0484","0.0367","","","0.0832","0.086","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013948","18.2744","0.0014","12.649","0.0011","17.76","0.002","90","","111.621","0.007","90","","3816.4","0.6","296","1","296","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloro[2-(4-imidazolyl-κN^1^)ethylamine-κN](1,10-phenanthroline- κ^2^N,N')copper(II) chloride monohydrate","","- C17 H19 Cl2 Cu N5 O -","- C17 H19 Cl2 Cu N5 O -","- C136 H152 Cl16 Cu8 N40 O8 -","8","1","FA1052","Bivián-Castro, Egla Y.; Bernès, Sylvain; Escalante, Jaime; Mendoza-Díaz, Guillermo","Chloro(histamine)(1,10-phenanthroline)copper(II) chloride monohydrate","Acta Crystallographica Section C","2004","60","5","m205","m207","10.1107/S0108270104006560","","","0.71073","MoKα","","0.047","0.0327","","","0.0822","0.0899","","","","","","1.013","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013949","7.3218","0.001","9.0547","0.0014","10.7935","0.0015","105.638","0.013","108.079","0.012","98.697","0.012","633.14","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[(N-salicylidene-β-alaninato-κ^3^O,N,O')copper(II)] urea disolvate","","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","1","0.5","FA1055","Oľga Švajlenová; Ján Vančo; Jaromír Marek","Di-μ-aqua-bis[(<i>N</i>-salicylidene-β-alaninato-κ^3^<i>O,N,O</i>')copper(II)] urea disolvate","Acta Crystallographica Section C","2004","60","6","m275","m277","10.1107/S0108270104008030","","","0.71073","MoKα","","0.0364","0.0323","","","0.083","0.0851","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013950","9.8637","0.0002","16.3316","0.0005","11.311","0.0001","90","","111.726","0.002","90","","1692.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ-terephthalato- κ^3^O,O':O'']","","- C18 H14 Mn N2 O5 -","- C18 H14 Mn N2 O5 -","- C72 H56 Mn4 N8 O20 -","4","1","FA1056","Ma, Cheng-Bing; Hu, Ming-Qiang; Zhang, Chun-Xia; Chen, Feng; Chen,Chang-Neng; Liu, Qiu-Tian","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-terephthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","6","m288","m290","10.1107/S0108270104007565","","","0.71073","MoKα","","0.072","0.0455","","","0.1234","0.1498","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013951","20.3579","0.0004","8.3014","0.0001","22.2513","0.0004","90","","93.865","0.001","90","","3751.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2RS,4RS)-N-Acetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H21 N O S -","- C23 H21 N O S -","- C184 H168 N8 O8 S8 -","8","2","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.121","0.0546","","","0.1046","0.1252","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013952","12.6348","0.0004","11.9337","0.0005","12.7904","0.0005","90","","92.549","0.002","90","","1926.63","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,4RS)-N-Chloroacetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H20 Cl N O S -","- C23 H20 Cl N O S -","- C92 H80 Cl4 N4 O4 S4 -","4","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0828","0.043","","","0.0868","0.0984","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013953","30.1891","0.0008","14.8005","0.0003","9.7965","0.0003","90","","102.257","0.0016","90","","4277.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2RS,4RS)-N-Benzoyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C28 H23 N O S -","- C28 H23 N O S -","- C224 H184 N8 O8 S8 -","8","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0704","0.0428","","","0.0983","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013954","12.227","0.004","12.936","0.003","21.51","0.006","90","","90","","90","","3402.2","1.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{2-[(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}- N-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide","","- C36 H35 N5 O7 S -","- C36 H35 N5 O7 S -","- C144 H140 N20 O28 S4 -","4","1","FG1728","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Borisenko, Sergey N.; Olekhnovich, Lev P.","<i>N</i>-{2-[(3,5-Di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}-<i>N</i>-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide: the nature of intramolecular shortened contacts","Acta Crystallographica Section C","2004","60","4","o235","o238","10.1107/S0108270104003439","","","0.71073","MoKα","","0.0627","0.0477","","","0.1118","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013955","12.117","0.002","8.239","0.002","16.857","0.001","90","","108.804","0.008","90","","1593","0.5","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0267","","","","0.0783","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013956","9.859","0.005","19.67","0.01","10.922","0.005","90","","94.33","0.04","90","","2112","1.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O2 Pd -","- C28 H18 N2 O2 Pd -","- C112 H72 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0437","","","","0.1346","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013957","18.9555","0.0014","8.0426","0.0004","17.1475","0.001","90","","90","","90","","2614.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","","- C27 H27 Eu O12 -","- C27 H27 Eu O12 -","- C108 H108 Eu4 O48 -","4","1","FG1732","Li, Xia; Zou, Ying-Quan; Zheng, Bo; Hu, Huai-Ming","<i>catena</i>-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","Acta Crystallographica Section C","2004","60","5","m197","m199","10.1107/S0108270104006080","","","0.71073","MoKα","","0.0328","0.0277","","","0.0662","0.0674","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013958","8.4365","0.0005","9.0109","0.0007","15.408","0.0013","97.991","0.002","100.883","0.002","97.866","0.002","1122.95","0.15","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H35 Nd O9 -","- C20 H33 Nd O9 -","- C40 H66 Nd2 O18 -","2","1","FG1733","Borkowski, Lauren A.; Cahill, Christopher L.","Poly[[aquaneodymium(III)]-μ~3~-decane-1,10-dicarboxylato-μ~3~-9-carboxynonanecarboxylato]","Acta Crystallographica Section C","2004","60","4","m159","m161","10.1107/S0108270104003427","","","0.71073","MoKα","","0.0702","0.0589","","","0.103","0.1081","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013959","12.885","0.002","14.089","0.002","13.519","0.003","90","","93.35","0.01","90","","2450","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13- hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]- μ-cyano]","","- C17 H30 Cu Fe N12 O3 -","- C17 H30 Cu Fe N12 O3 -","- C68 H120 Cu4 Fe4 N48 O12 -","4","1","FG1736","Shen, Liang; Wang, Hua-Tong; Zhang, Yi-Jian; Jin, Zhi-Min","<i>catena</i>-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]-μ-cyano]","Acta Crystallographica Section C","2004","60","4","m180","m182","10.1107/S0108270104004706","","","0.71073","MoKα","","0.0468","0.0316","","","0.072","0.0759","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013960","13.1381","0.0005","16.3486","0.0007","15.7094","0.0006","90","","94.003","0.001","90","","3366","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Cl5 N4 O Re S4 -","- C21 H42 Cl5 N4 O Re S4 -","- C84 H168 Cl20 N16 O4 Re4 S16 -","4","1","FG1741","Banerjee, Sangeeta Ray; Zubieta, Jon","A metal-mediated dimerization of the ligand bis(<i>N</i>,<i>N</i>-diethylamino)carbeniumdithiocarboxylate","Acta Crystallographica Section C","2004","60","5","m208","m209","10.1107/S0108270104006869","","","0.71073","MoKα","","0.0289","0.0245","","","0.0623","0.0642","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013961","9.1948","0.0002","9.8341","0.0002","12.2985","0.0003","83.145","0.001","82.933","0.001","80.865","0.001","1083.95","0.04","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 N4 O4 -","- C12 H32 Cl4 N4 O4 -","- C24 H64 Cl8 N8 O8 -","2","1","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0417","0.0315","","","0.0749","0.079","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013962","7.6921","0.0002","8.392","0.0002","8.6696","0.0003","67.409","0.002","68.128","0.002","88.967","0.002","474.37","0.03","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","1","0.5","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0392","0.0302","","","0.072","0.0753","","","","","","1.047","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013963","6.024","0.002","10.371","0.003","9.917","0.003","90","","97.53","0.03","90","","614.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinan-2-one","","- C11 H15 O6 P -","- C11 H15 O6 P -","- C22 H30 O12 P2 -","2","1","FG1743","Ślepokura, Katarzyna; Lis, Tadeusz","5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section C","2004","60","5","o315","o317","10.1107/S0108270104006110","","","0.71073","MoKα","","0.0354","0.0328","","","0.0804","0.0819","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013964","9.4916","0.001","10.7191","0.0011","17.836","0.0019","99.58","0.002","92.278","0.002","108.726","0.002","1686.2","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","[Ni(fupy)~4~(NCS)~2~].THF","tetrakis(furo[3,2-c]pyridine)bis(isothiocyanato)nickel(II) tetrahydrofuran solvate","","- C34 H28 N6 Ni O5 S2 -","- C34 H28 N6 Ni O5 S2 -","- C68 H56 N12 Ni2 O10 S4 -","2","1","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0444","0.0364","","","0.1035","0.1089","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013965","9.1663","0.001","10.5562","0.0011","12.1745","0.0013","79.863","0.002","79.03","0.002","74.521","0.002","1104.7","0.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me~2~fupy)~4~(NCS)~2~].6.6H~2~O","tetrakis(2,3-dimethylfuro[3,2-c]pyridine)bis(isothiocyanato)nickel(II) 6.6-hydrate","","- C38 H49.2 N6 Ni O10.6 S2 -","- C38 H36 N6 Ni O4 S2 -","- C38 H36 N6 Ni O4 S2 -","1","0.5","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0706","0.0524","","","0.1356","0.1516","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013966","8.8543","0.0015","11.1457","0.0019","11.5725","0.0019","109.624","0.003","106.173","0.003","107.339","0.003","931.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","1","0.5","FG1746","Billing, David G.; Lemmerer, Andreas","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","Acta Crystallographica Section C","2004","60","5","m224","m226","10.1107/S0108270104007553","","","0.71073","MoKα","","0.0506","0.036","","","0.0993","0.1037","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013967","19.663","0.004","7.5404","0.0013","21.929","0.004","90","","104.661","0.003","90","","3145.5","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,4-dicarboxylic acid N,N-dimethylformamide disolvate","","- C14 H20 N2 O6 -","- C14 H20 N2 O6 -","- C112 H160 N16 O48 -","8","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0873","0.0497","","","0.1195","0.1439","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013968","12.8905","0.001","7.9398","0.0006","13.8078","0.001","90","","108.162","0.002","90","","1342.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzene-1,2,4,5-tetracarboxylic acid N,N-dimethylformamide tetrasolvate","","- C22 H34 N4 O12 -","- C22 H34 N4 O12 -","- C44 H68 N8 O24 -","2","0.5","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0499","0.0347","","","0.088","0.1","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013969","13.8441","0.0015","19.745","0.002","6.6606","0.0007","90","","90","","90","","1820.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarboxylic acid N,N-dimethylformamide disolvate monohydrate","","- C15 H22 N2 O9 -","- C15 H22 N2 O9 -","- C60 H88 N8 O36 -","4","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.057","0.0494","","","0.1299","0.1381","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013970","4.1443","0.0005","10.4459","0.0008","24.1758","0.0019","90","","90","","90","","1046.59","0.17","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-2-methyl-4-nitro-1H-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","FG1748","Kubicki, Maciej","1-(4-Bromophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole: bifurcated Br···O halogen‒nitro bonds","Acta Crystallographica Section C","2004","60","5","o341","o343","10.1107/S010827010400650X","","","0.71073","MoKα","","0.0527","0.0399","","","0.0862","0.0973","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013971","22.676","0.002","22.676","0.002","13.5195","0.0018","90","","90","","120","","6020.4","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^2^N,N']iron(III)} hexaisothiocyanatoiron(III)","","- C60 H60 B6 Fe4 N42 S6 -","- C60 H60 B6 Fe4 N42 S6 -","- C180 H180 B18 Fe12 N126 S18 -","3","0.166667","FG1750","Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^3^<i>N</i>^2^,<i>N</i>^2'^,<i>N</i>^2''^]iron(III)} hexaisothiocyanatoiron(III)","Acta Crystallographica Section C","2004","60","6","m258","m260","10.1107/S0108270104008741","","","0.71073","MoKα","","0.0668","0.0439","","","0.0992","0.1039","","","","","","1.11","","","","has coordinates","192308","2020-10-21","18:00:00",""
"2013972","12.1443","0.0012","12.2258","0.0012","14.5543","0.0014","99.774","0.002","103.547","0.002","117.775","0.002","1758.3","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Tris[N-(4-fluorophenyl)pyridine-2-carboxamide-κ^2^N,N']cobalt(III)","","- C36 H30 Co F3 N6 O6 -","- C36 H30 Co F3 N6 O6 -","- C72 H60 Co2 F6 N12 O12 -","2","1","FR1443","Qi, Jian Ying; Yang, Qi Yun; Chan, Shu Sun; Zhou, Zhong Yuan; Chan, Albert S. C.","Tris[<i>N</i>-(4-fluorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) trihydrate: a novel meridional complex","Acta Crystallographica Section C","2004","60","5","m210","m211","10.1107/S0108270104005803","","","0.71073","MoKα","","0.0512","0.0409","","","0.1058","0.1119","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013973","13.5688","0.001","7.5506","0.0006","18.0929","0.0014","90","","98.728","0.002","90","","1832.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1- ene","","- C17 H14 F6 O2 S2 -","- C17 H14 F6 O2 S2 -","- C68 H56 F24 O8 S8 -","4","1","FR1446","Pu, Shou-Zhi; Zhang, Fu-Shi; Wang, Ru-Ji; Liang, Qiang","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1-ene","Acta Crystallographica Section C","2004","60","5","o305","o307","10.1107/S0108270104005815","","","0.71073","MoKα","","0.0784","0.0633","","","0.1138","0.1182","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013974","6.7602","0.0013","7.7124","0.0015","8.0237","0.0015","94.995","0.004","95.894","0.004","96.759","0.004","411.14","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,4-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C18 H20 O8 -","2","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0554","0.0465","","","0.1278","0.1355","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013975","10.081","0.0017","12.534","0.002","6.6408","0.0011","90","","92.729","0.004","90","","838.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0665","0.0598","","","0.1631","0.1677","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013976","12.2779","0.0012","13.9092","0.0012","14.2565","0.0013","61.14","0.001","80.629","0.002","88.464","0.001","2100","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-phthalato- κ^3^O,O':O''] hemihydrate]","","- C22 H19 Cd N4 O5.5 -","- C22 H19 Cd N4 O5.5 -","- C88 H76 Cd4 N16 O22 -","4","2","FR1465","Bing-Xin Liu; Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-phthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] hemihydrate]","Acta Crystallographica Section C","2004","60","4","m183","m185","10.1107/S0108270104005529","","","0.71073","MoKα","","0.03","0.024","","","0.057","0.06","","","","","","1.066","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013977","14.357","0.006","7.1964","0.0013","26.779","0.005","90","","100.35","0.04","90","","2721.8","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C112 H96 N32 O24 -","8","1","FR1466","Hörner, Manfredo; Brancher, Almir Luis; Silva, Angela; Bordinhao, Jairo; Mössmer, Cäcilia M.","3-(4-Acetylphenyl)-1-(4-nitrophenyl)triazene","Acta Crystallographica Section C","2004","60","5","o303","o304","10.1107/S0108270104004822","","","0.71073","MoKα","","","0.0523","","","","0.1423","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013978","10.354","0.002","8.269","0.002","13.512","0.003","90","","108.27","0.02","90","","1098.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","FR1467","Davison, Mark; Thompson, Hugh W.; Lalancette, Roger A.","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid: catemeric hydrogen bonding and diastereomeric disorder in a bicyclic unsaturated ε-keto acid","Acta Crystallographica Section C","2004","60","4","o242","o244","10.1107/S0108270104003075","","","0.71073","MoKα","","0.122","0.062","","","0.142","0.171","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013979","13.618","0.003","7.2963","0.0013","18.316","0.005","90","","108.282","0.012","90","","1728","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine- 3-carboxylic acid trihydrate","","- C15 H23 F N4 O6 -","- C15 H23 F N4 O6 -","- C60 H92 F4 N16 O24 -","4","1","FR1468","Parvez, Masood; Arayne, Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir","Enoxacin trihydrate","Acta Crystallographica Section C","2004","60","4","o281","o283","10.1107/S0108270104004500","","","0.71073","MoKα","","0.051","0.036","","","0.089","0.097","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013980","4.6642","0.0012","7.831","0.002","20.607","0.005","90","","91.13","0.01","90","","752.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylphenyl isocyanide","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.065","0.038","","","0.098","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013981","4.6526","0.0012","7.801","0.002","20.466","0.005","90","","90.5","0.01","90","","742.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylbenzonitrile","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.128","0.046","","","0.093","0.107","","","","","","0.74","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013982","13.9423","0.0006","14.712","0.0008","17.2894","0.0007","90","","105.446","0.003","90","","3418.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-[1,3-bis(2,4-dimethylphenyl) imidazolidin-2-ylidene]dichlorotriphenyl phosphinepalladium(II)","","- C37 H37 Cl2 N2 P Pd -","- C37 H37 Cl2 N2 P Pd -","- C148 H148 Cl8 N8 P4 Pd4 -","4","1","FR1470","Gökçe, Aytaç Gürhan; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; Kazak, Canan","<i>trans</i>-[1,3-Bis(2,4-dimethylphenyl)imidazolidin-2-ylidene]dichloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","6","m254","m255","10.1107/S0108270104008479","","","0.71073","MoKα","","0.1049","0.0456","","","0.0809","0.0937","","","","","","0.827","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013983","9.732","0.004","11.31","0.004","11.638","0.004","94.61","0.03","113.08","0.03","115.24","0.03","1017.7","0.8","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","","- C10 H16 F6 N O8 Rb S2 -","- C10 H16 F6 N O8 Rb S2 -","- C20 H32 F12 N2 O16 Rb2 S4 -","2","1","FR1471","Xue, Lixin; Padgett, Clifford W.; DesMarteau, Darryl D.; Pennington, William T.","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","Acta Crystallographica Section C","2004","60","5","m200","m202","10.1107/S0108270104005797","","","0.71073","MoKα","","0.082","0.0374","","","0.0581","0.0606","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013984","6.9938","0.0011","21.636","0.003","8.1078","0.0013","90","","108.724","0.003","90","","1161.9","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-chlorophenyldiazenyl)salicylaldehyde","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.061","0.044","","","0.101","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013985","16.122","0.003","8.3847","0.0012","13.359","0.002","90","","110.689","0.003","90","","1689.4","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-chlorophenyldiazenyl)-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C68 H72 Cl4 N12 O16 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.052","0.034","","","0.092","0.109","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013986","6.77","0.002","13.16","0.003","15.553","0.004","90","","90","","90","","1385.7","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonic acid","(-)-α,3a,7-trimethyl-5,8-dioxo-1,4-ethanoperhydropentalene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.072","0.05","","","0.116","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013987","8.562","0.002","11.656","0.003","13.275","0.004","90","","90","","90","","1324.8","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonide","(-)-α,3a,7-trimethyl-5-oxo-1,4-ethenoperhydropentalene-1,8-carbolactone","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.106","0.052","","","0.079","0.093","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013988","12.644","0.0008","8.3499","0.0003","20.1529","0.0012","90","","96.693","0.005","90","","2113.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","2","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.0529","0.0341","","","0.0872","0.093","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013989","13.2579","0.0011","7.8772","0.0008","20.4502","0.0015","90","","91.369","0.006","90","","2135.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.069","0.0435","","","0.1143","0.1233","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013990","5.5739","0.0012","12.814","0.003","14.396","0.003","80.425","0.014","85.53","0.02","82.67","0.02","1003.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","FR1484","Davison, Mark; Kikolski,Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a cyclic δ-keto acid","Acta Crystallographica Section C","2004","60","6","o449","o451","10.1107/S0108270104010534","","","0.71073","MoKα","","0.07","0.048","","","0.119","0.133","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013991","9.0807","0.0009","9.155","0.0009","16.0629","0.0016","90","","100.409","0.002","90","","1313.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O P -","- C15 H12 N3 O P -","- C60 H48 N12 O4 P4 -","4","1","GA1045","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","Tris(2-pyridyl)phosphine oxide: how C—H···O and C—H···N interactions can affect crystal packing efficiency","Acta Crystallographica Section C","2004","60","4","o258","o260","10.1107/S0108270104003956","","","0.71073","MoKα","","0.0504","0.0362","","","0.089","0.0961","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013992","7.8263","0.0009","10.8009","0.0009","15.7878","0.0012","83.457","0.005","77.039","0.007","82.326","0.007","1284","0.2","294","1","293","1","","","","","","","","3","P -1","-P 1","2","4,6-diphenyl-2-pyrimidinylamine","4,6-diphenyl-2-pyrimidinylamine","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","2","GD1292","Gallagher, John F.; Goswami, Shyamaprosad; Chatterjee, Baidyanath; Jana, Subrata; Dutta, Kalyani","N—H···N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant <i>Justicia secunda</i> (Acanthaceae)","Acta Crystallographica Section C","2004","60","4","o229","o231","10.1107/S0108270104002902","","","0.71073","MoKα","","0.085","0.047","","","0.101","0.119","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013993","15.01","0.001","9.036","0.0008","20.45","0.002","90","","98.773","0.009","90","","2741.2","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H26.5 Cu N4 O4 -","- C28.5 H26.5 Cu N4 O4 -","- C114 H106 Cu4 N16 O16 -","4","0.5","GD1293","A. van der Lee; M. Barboiu","A two-dimensional network of <i>R</i>_<b>2</b>^<b>2</b>(16) and <i>R</i>_<b>4</b>^<b>2</b>(8) rings in <i>trans</i>-bis(4-aminopyridine-κ<i>N</i>^1^)bis(benzoato-κ^2^<i>O</i>,<i>O</i>')copper(II) benzene 0.75-solvate","Acta Crystallographica Section C","2004","60","4","m156","m158","10.1107/S0108270104003749","","","0.71073","MoKα","","0.1386","0.0554","","0.1679","0.139","0.139","","","","","","0.9487","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013994","20.685","0.0019","13.168","0.0013","10.488","0.011","90","","101.921","0.005","90","","2795","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C120 H96 N16 O32 -","8","1","GD1303","Soylu, Serkan; Tas̨, Murat; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","Acta Crystallographica Section C","2004","60","4","o263","o264","10.1107/S0108270104003890","","","0.71073","MoKα","","0.077","0.0412","","","0.0885","0.0973","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013995","9.8976","0.0009","9.6168","0.0009","11.67","0.001","90","","103.313","0.007","90","","1080.94","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C44 H32 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0959","0.0386","","","0.0809","0.0932","","","","","","0.913","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013996","12.6819","0.0016","6.8018","0.0011","15.1799","0.0016","90","","114.497","0.011","90","","1191.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile","","- C11 H7 Cl N4 O2 -","- C11 H7 Cl N4 O2 -","- C44 H28 Cl4 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0778","0.0416","","","0.0907","0.1018","","","","","","0.974","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013997","15.959","0.003","20.793","0.004","24.403","0.005","90","","90","","90","","8098","3","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","isoamylcobalamin acetone solvate hydrate","","","- C68.15 H126.61 Co N13 O27.03 P -","- C68.155 H122.11 Co N13 O27.035 P -","- C272.62 H488.44 Co4 N52 O108.14 P4 -","4","1","GD1306","Christopher B. Perry; Manuel A. Fernandes; Helder M. Marques","Isoamylcobalamin‒acetone‒water (1/0.385/12.650)","Acta Crystallographica Section C","2004","60","4","m165","m167","10.1107/S010827010400366X","","","0.71073","MoKα","","","0.0426","","","","0.1073","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013998","6.362","0.003","11.071","0.004","11.895","0.004","90","","90.22","0.02","90","","837.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorodiaquatin(IV) monohydrate","","- Cl4 H6 O3 Sn -","- Cl4 H6 O3 Sn -","- Cl16 H24 O12 Sn4 -","4","1","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0318","0.0286","","","0.0793","0.0815","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013999","23.987","0.004","6.714","0.006","11.58","0.003","90","","93.77","0.02","90","","1860.9","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrachlorodiaquatin(IV) dihydrate","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0291","0.0289","","","0.0741","0.0742","","","","","","1.127","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2014000","10.8307","0.0007","23.9974","0.0015","8.6318","0.0006","90","","90.058","0.002","90","","2243.5","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^N)copper(II) perchlorate","","- C16 H34 Cl Cu N5 O6 -","- C16 H34 Cl Cu N5 O6 -","- C64 H136 Cl4 Cu4 N20 O24 -","4","1","GD1308","Curtis, Neil F.; Gladkikh, Olga P.; Morgan, Keith R.; Heath, Sarah L.","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^<i>N</i>)copper(II) perchlorate: a copper(II) compound with a pentadentate triamine‒oxime‒oximate ligand","Acta Crystallographica Section C","2004","60","6","m256","m257","10.1107/S0108270104008765","","","0.71073","MoKα","","0.0464","0.0403","","","0.0958","0.1004","","","","","","1.122","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014001","30.535","0.006","7.055","0.001","13.746","0.003","90","","109.18","0.03","90","","2796.8","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1,1-dimethylbiguanido)copper(II) hydrate","","- C8 H22 Cu N10 O -","- C8 H22 Cu N10 O -","- C64 H176 Cu8 N80 O8 -","8","1","GD1310","Lu, Liping; Yang, pin; Qin, shidong; Zhu, Miaoli","Bis[1,1-dimethylbiguanide(1‒)-κ^2^<i>N</i>^2^,<i>N</i>^5^]copper(II) monohydrate","Acta Crystallographica Section C","2004","60","5","m219","m220","10.1107/S0108270104006729","","","0.71073","MoKα","","0.0569","0.0399","","","0.088","0.0935","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014002","19.2497","0.001","19.2497","0.001","6.9209","0.0004","90","","90","","90","","2564.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","2-bromoresorcinol","1-Bromo-2,6-dihydroxybenzene","","- C6 H5 Br O2 -","- C6 H5 Br O2 -","- C96 H80 Br16 O32 -","16","1","GD1314","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1-Bromo-2,6-dihydroxybenzene containing <i>R</i>~4~^4^(8) rings and <i>C</i>(2) helices","Acta Crystallographica Section C","2004","60","5","o353","o355","10.1107/S0108270104006882","","","0.71073","MoKα","","0.0413","0.026","","","0.0615","0.0644","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014003","22.535","0.002","11.9796","0.0012","16.4774","0.0017","90","","123.285","0.002","90","","3718.5","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-pivalamidato-κ^4^N,O- bis[(sulfato)(2,2'-bipyridine-κ^2^N,N')platinum(III)] tetrahydrate","","- C30 H44 N6 O14 Pt2 S2 -","- C30 H44 N6 O14 Pt2 S2 -","- C120 H176 N24 O56 Pt8 S8 -","4","0.5","GD1315","Yokokawa, Kazuo; Sakai, Ken","Di-μ-pivalamidato-κ^4^<i>N</i>:<i>O</i>;<i>O</i>:<i>N</i>-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)platinum(III)] tetrahydrate in a head-to-tail isomerism","Acta Crystallographica Section C","2004","60","6","m244","m247","10.1107/S010827010400811X","","","0.71073","MoKα","","0.0652","0.0437","","","0.1082","0.1277","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","199607","2020-10-21","18:00:00",""
"2014004","10.0619","0.0007","19.8127","0.0013","12.7511","0.0008","90","","99.594","0.002","90","","2506.4","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine","","- C25 H46 N6 -","- C25 H46 N6 -","- C100 H184 N24 -","4","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.0682","0.042","","","0.0838","0.0899","","","","","","0.863","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014005","6.9057","0.0007","7.6661","0.0007","16.3568","0.0016","89.307","0.003","82.355","0.002","73.152","0.002","821.07","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","","- C15 H30 N6 -","- C15 H30 N6 -","- C30 H60 N12 -","2","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.1233","0.054","","","0.082","0.113","","","","","","0.836","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014006","23.987","0.002","3.9394","0.0005","22.965","0.002","90","","90","","90","","2170.1","0.4","90","0.1","90","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","2","GG1208","Ejsmont, Krzysztof; Domański, Andrzej A.; Kyzioł, Janusz B.; Zaleski, Jacek","<i>trans</i>-4-Bromo-<i>ONN</i>-azoxybenzene at 100K","Acta Crystallographica Section C","2004","60","5","o368","o370","10.1107/S0108270104007103","","","0.71073","MoKα","","0.0281","0.0269","","","0.0615","0.0622","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014007","5.0776","0.0001","8.6533","0.0003","10.7804","0.0003","111.261","0.0015","102.437","0.002","93.597","0.002","425.88","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(Cyclohexylideneamino)oxyacetic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0493","0.0379","","","0.0917","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014008","6.7961","0.0001","7.3857","0.0002","10.8173","0.0003","98.4852","0.0009","93.4156","0.001","117.019","0.0012","473.44","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[Chloro(phenyl)methyleneamino]oxyacetic acid","","- C9 H8 Cl N O3 -","- C9 H8 Cl N O3 -","- C18 H16 Cl2 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0444","0.0403","","","0.1293","0.1412","","","","","","1.2","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014009","12.5174","0.0007","4.2601","0.0003","16.0042","0.0009","90","","111.58","0.001","90","","793.61","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C24 H20 I4 N8 O8 -","4","1","GG1211","Garden, Simon J.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2004","60","5","o328","o330","10.1107/S0108270104006092","","","0.71073","MoKα","","0.0605","0.0387","","","0.0957","0.1069","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014010","5.1689","0.0001","14.3184","0.0003","16.1506","0.0004","98.121","0.001","97.963","0.001","99.033","0.001","1152.75","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis[(2,4,6-trimethylbenzenesulfonyl)aminooxy]propane","","- C21 H30 N2 O6 S2 -","- C21 H30 N2 O6 S2 -","- C42 H60 N4 O12 S4 -","2","1","GG1212","Wardell, Solange M. S. V.; Rangel e Silva, Marcus V. D.; Prado, Patricia F.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Propylenedioxybis(2,4,6-trimethylbenzenesulfonamide): molecules of unexpected conformation form a molecular ladder built from two independent N—H···O=S hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o325","o327","10.1107/S0108270104006109","","","0.71073","MoKα","","0.0543","0.0401","","","0.1001","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014011","6.441","0.0013","9.633","0.0019","24.911","0.005","90","","92.98","0.03","90","","1543.5","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0879","0.0512","","","0.1355","0.1569","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014012","7.456","0.003","14.854","0.007","16.133","0.009","90","","96.16","0.02","90","","1776.4","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene- 3-carbonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0703","0.0481","","","0.1175","0.1318","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014013","7.07","0.005","11.644","0.009","12.243","0.0011","90","","94.035","0.003","90","","1005.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxy-4-oxopent-2-en-3-yl)benzonitrile","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.079","0.051","","","0.121","0.138","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014014","7.6087","0.001","9.26","0.002","15.198","0.003","91.327","0.008","92.814","0.008","107.509","0.012","1019.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis[3-(4-cyanophenyl)pentane-2,4-dionato-κ^2^O,O]copper(II)","","- C24 H20 Cu N2 O4 -","- C24 H20 Cu N2 O4 -","- C48 H40 Cu2 N4 O8 -","2","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.056","0.038","","","0.08","0.087","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014015","22.174","0.004","7.9968","0.0016","22.519","0.005","90","","94.5","0.03","90","","3980.8","1.4","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N P -","- C25 H22 N P -","- C200 H176 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0455","","","","0.1031","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014016","23.518","0.005","8.2811","0.0017","21.892","0.004","90","","93.04","0.03","90","","4257.6","1.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N P -","- C26 H24 N P -","- C208 H192 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0464","","","","0.1142","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014017","16.423","0.003","5.005","0.001","7.654","0.002","90","","90","","90","","629.1","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Glycine lithium sulfate","","","- C2 H5 Li2 N O6 S -","- C2 H5 Li2 N O6 S -","- C8 H20 Li8 N4 O24 S4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0266","0.0246","","","0.0646","0.066","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014018","8.203","0.002","5.475","0.001","8.311","0.002","90","","90.97","0.03","90","","373.21","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Glycine nickel dichloride dihydrate","","","- C2 H9 Cl2 N Ni O4 -","- C2 H9 Cl2 N Ni O4 -","- C4 H18 Cl4 N2 Ni2 O8 -","2","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0161","0.0157","","","0.0375","0.0376","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014019","8.44","0.002","8.278","0.002","12.521","0.003","90","","90","","90","","874.8","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Glycine zinc sulfate trihydrate","","","- C2 H11 N O9 S Zn -","- C2 H11 N O9 S Zn -","- C8 H44 N4 O36 S4 Zn4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0399","0.0301","","","0.0628","0.0669","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014020","13.5603","0.001","7.8549","0.0006","15.8121","0.0011","90","","101.063","0.002","90","","1652.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diospyrin","1',5-dihydroxy-3',7-dimethyl-2,2'-binaphthalene-1,4,5',8'-tetrone","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","1","HJ1005","Harrison, William T. A.; Musgrave, Oliver C.","Diospyrin","Acta Crystallographica Section C","2004","60","6","o399","o401","10.1107/S0108270104007826","","","0.71073","MoKα","","0.0911","0.046","","","0.11","0.127","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014021","23.448","0.002","6.351","0.0005","20.79","0.003","90","","109.94","0.01","90","","2910.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ethyl-α-anilinobenzylphosphonate","Monoethyl [α-(phenylaminio)benzyl]phosphonate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C120 H144 N8 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.54179","CuKα","","0.091","0.0499","","","0.1156","0.1329","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014022","35.2","0.02","6.419","0.004","22.86","0.01","90","","127.42","0.04","90","","4102","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoethyl {α-[4-(phenyldiazenyl)anilino]benzyl}phosphonate","","- C21 H22 N3 O3 P -","- C21 H22 N3 O3 P -","- C168 H176 N24 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.5418","CuKα","","0.1157","0.0611","","","0.1338","0.1605","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014023","17.08","0.003","14.691","0.0018","5.5356","0.0007","90","","90","","90","","1389","0.3","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Magnesium Sodium Pyrovanadate","","","- Mg2 Na6 O15 V4 -","- Mg2 Na6 O15 V4 -","- Mg8 Na24 O60 V16 -","4","0.5","IZ1039","Mitiaev, Alexander, S; Mironov, Andrei, V.; Shpanchenko, Roman, V.; Antipov, Evgeny, V.","Sodium magnesium bis(vanadate) pyrovanadate: Na~6~Mg~2~(VO~4~)~2~(V~2~O~7~)","Acta Crystallographica Section C","2004","60","5","i56","i58","10.1107/S0108270104005384","","","0.71069","MoKα","","0.0372","0.0372","","","0.0498","0.0498","","","","","","1.71","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014024","9.201","0.0012","29.032","0.005","9.2079","0.0017","90","","115.45","0.03","90","","2221","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Barium zirconium oxalate hydrate","Triaquatetraoxalatodibarium(II)zirconium(IV)","","- C8 H6 Ba2 O19 Zr -","- C8 H6 Ba2 O19 Zr -","- C32 H24 Ba8 O76 Zr4 -","4","0.5","IZ1040","Vertruyen, Bénédicte; Robertz, Bénédicte; Guillaume, Bernard; Rulmont, André; Spirlet, Marie-Rose","Dibarium zirconium tetraoxalate trihydrate","Acta Crystallographica Section C","2004","60","6","m233","m234","10.1107/S0108270104006791","","","0.71073","MoKα","","0.0669","0.0468","","","0.1151","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2014025","9.5012","0.0001","9.5012","0.0001","56.4199","0.0006","90","","90","","120","","4410.83","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Dicaesium pentadecamolybdenum nonadecasulfide","","- Cs2 Mo15 S19 -","- Cs2 Mo15 S19 -","- Cs12 Mo90 S114 -","6","0.166667","IZ1041","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2004","60","6","i61","i62","10.1107/S0108270104008248","","","0.71069","MoKα","","0.0403","0.03","","","0.0584","0.0617","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014026","11.567","0.004","12.833","0.004","17.572","0.006","108.031","0.006","95.774","0.006","111.805","0.006","2233.1","1.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","3,4,5-Triiodotetraphenylmethane","Triphenyl(3,4,5-triiodophenyl)methane","","- C25 H17 I3 -","- C25 H17 I3 -","- C100 H68 I12 -","4","2","JZ1609","Reddy, C. Malla; Nangia, Ashwini; Jetti, Ram K. R.; Boese, Roland","Triphenyl(3,4,5-triiodophenyl)methane","Acta Crystallographica Section C","2004","60","5","o331","o333","10.1107/S0108270104006146","","","0.71073","MoKα","","0.0758","0.0587","","","0.1707","0.1843","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014027","6.7444","0.0012","11.718","0.003","15.734","0.002","90","","90","","90","","1243.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","JZ1612","Seela, Frank; Jawalekar, Anup M.; Eickmeier, Henning","1-(2-Deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-indazole","Acta Crystallographica Section C","2004","60","6","o387","o389","10.1107/S0108270104008005","","","0.71073","MoKα","","0.0413","0.0375","","","0.101","0.105","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014028","32.322","0.005","32.322","0.005","8.084","0.002","90","","90","","120","","7314","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","N-{(1E)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1- yl]methylene}-1H-imidazole-1-carboxamide","","- C16 H18 N6 O -","- C16 H18 N6 O -","- C288 H324 N108 O18 -","18","1","JZ1613","Viktor Kettmann; Jan Světlík; Jiří Kubišta","<i>N</i>-{(1<i>E</i>)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]methylene}-1<i>H</i>-imidazole-1-carboxamide","Acta Crystallographica Section C","2004","60","6","o431","o433","10.1107/S010827010400890X","","","0.71073","MoKα","","0.0637","0.0402","","","0.0967","0.1081","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014029","5.2254","0.0004","12.9371","0.0009","10.5425","0.0006","90","","94.247","0.003","90","","710.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[dichloro-zinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^N:N']","","- C13 H14 Cl2 N2 Zn -","- C13 H14 Cl2 N2 Zn -","- C26 H28 Cl4 N4 Zn2 -","2","0.5","NA1639","Chen, Yu-Biao; Kang, Yao; Qin, Ye-Yan; Li, Zhao-Ji; Cheng, Jian-Kai; Hu, Rui-Feng; Wen, Yi-Hang; Yao, Yuan-Gen","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","4","m168","m169","10.1107/S0108270104003592","","","0.71073","MoKα","","","0.0599","","","0.1376","0.1528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014030","14.366","0.005","5.545","0.002","15.53","0.006","90","","92.36","0.006","90","","1236.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-chlorobenzoato-2-aminopyridinesilver(I)","","- C24 H20 Ag2 Cl2 N4 O4 -","- C24 H20 Ag2 Cl2 N4 O4 -","- C48 H40 Ag4 Cl4 N8 O8 -","2","0.5","NA1642","Zhu, Hai-Liang; Qiu, Xiao-Yang; Yang, Song; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin","Bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(2-aminopyridine-κ<i>N</i>)silver(I)]","Acta Crystallographica Section C","2004","60","4","m170","m171","10.1107/S0108270104003609","","","0.71073","MoKα","","0.0592","0.0353","","","0.0832","0.1106","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014031","5.678","0.002","8.424","0.003","12.404","0.005","100.17","0.03","93.85","0.03","107.96","0.04","550.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(phenylaminomethylidene)cyclohexane-1,3-dione","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","NA1643","Viktor Kettmann; Jan Lokaj; Viktor Milata; Milan Marko; Magdaléna Štvrtecká","2-(Phenylaminomethylidene)cyclohexane-1,3-dione","Acta Crystallographica Section C","2004","60","4","o252","o254","10.1107/S0108270104003610","","","0.71073","MoKα","","0.1176","0.0645","","","0.1615","0.199","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014032","7.4895","0.0006","9.7648","0.0008","10.1427","0.0008","87.661","0.001","69.497","0.001","82.771","0.001","689.26","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diazabicyclo[2.2.2]octane-1,4-diium Trichromate","","- C6 H14 Cr3 N2 O10 -","- C6 H14 Cr3 N2 O10 -","- C12 H28 Cr6 N4 O20 -","2","1","NA1645","Cheng Rong Ding; Zhi Min Jin; Hai Bin Wang; Mao Lin Hu; He Lin","1,4-Diazabicyclo[2.2.2]octane-1,4-diium trichromate","Acta Crystallographica Section C","2004","60","5","m203","m204","10.1107/S0108270104004007","","","0.71073","MoKα","","0.0301","0.0293","","","0.0844","0.0851","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014033","5.637","0.0004","8.71","0.0008","8.8431","0.0006","96.219","0.007","93.414","0.006","97.604","0.007","426.63","0.06","298","2","","","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetramethyldiammonium‒succinate‒succinic acid (1/1/1)","","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","1","0.5","NA1646","Bruno, Giuseppe; Rotondo, Archimede; De Luca, Lidia; Sammartano, Silvio; Nicoló, Francesco","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium‒succinate‒succinic acid (1/1/1)","Acta Crystallographica Section C","2004","60","4","o287","o289","10.1107/S0108270104005785","","","0.71073","MoKα","","","0.0419","","","","0.1169","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014034","7.7094","0.0006","22.404","0.002","12.696","0.0014","90","","93.751","0.007","90","","2188.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachlorocyclo-2,2-(propylenedioxydi-o-phenylenediimino)- 2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C15 H16 Cl4 N5 O2 P3 -","- C15 H16 Cl4 N5 O2 P3 -","- C60 H64 Cl16 N20 O8 P12 -","4","1","NA1648","Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(propylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","6","o381","o383","10.1107/S0108270104006894","","","0.71073","MoKα","","0.0738","0.0384","","","0.0966","0.1095","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014035","5.635","0.0014","8.2897","0.0018","17.382","0.004","90","","99.256","0.009","90","","801.4","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucyl-L-phenylalanine","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C30 H52 N4 O10 -","2","1","NA1649","Görbitz, Carl Henrik","<small>L</small>-Isoleucyl-<small>L</small>-phenylalanine dihydrate","Acta Crystallographica Section C","2004","60","5","o371","o373","10.1107/S0108270104007255","","","0.71073","MoKα","","0.0641","0.0389","","","0.0745","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014036","18.534","0.003","18.534","0.003","14.693","0.004","90","","90","","90","","5047.2","1.8","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","","- C20 H20 N6 O6 S4 Zn -","- C20 H20 N6 O6 S4 Zn -","- C160 H160 N48 O48 S32 Zn8 -","8","0.25","NA1653","Wen, Yi-Hang; Zhang, Jian; Cheng, Jian-Kai; Li, Zhao-Ji; Qin, Ye-Yan; Kang, Yao; Hu, Rui-Feng; Yao, Yuan-Gen","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","Acta Crystallographica Section C","2004","60","6","m248","m249","10.1107/S0108270104008042","","","0.71073","MoKα","","","0.0201","","","0.0545","0.0545","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014037","6.015","0.002","13.073","0.004","29.501","0.01","90","","91.441","0.007","90","","2319.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-[4-phenyl-6-(pyridinium-2-yl)pyridin-2-yl]pyridinium diperchlorate","","- C22 H19 Cl2 N3 O8 -","- C22 H19 Cl2 N3 O8 -","- C88 H76 Cl8 N12 O32 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0852","0.0542","","","0.163","0.1743","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014038","13.854","0.004","13.448","0.004","12.141","0.004","90","","111.146","0.005","90","","2109.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(methoxyphenyl)-2,2'-bipyridin-6-yl]-1-methylpyridinium iodide","","- C23 H20 I N3 O -","- C23 H20 I N3 O -","- C92 H80 I4 N12 O4 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0418","0.0376","","","0.1218","0.1243","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014039","7.272","0.001","23.07","0.005","10.753","0.002","90","","106.82","0.03","90","","1726.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,6-Diaminohexanesilver(I) cinnamate dihydrate","","- C15 H27 Ag N2 O4 -","- C15 H27 Ag N2 O4 -","- C60 H108 Ag4 N8 O16 -","4","1","NA1655","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[silver(I)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] cinnamate dihydrate]","Acta Crystallographica Section C","2004","60","6","m231","m232","10.1107/S0108270104007802","","","0.71073","MoKα","","0.0633","0.0486","","","0.0916","0.0965","","","","","","1.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014040","9.441","0.006","9.805","0.006","13.936","0.009","102.385","0.011","98.58","0.012","101.351","0.011","1210.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[silver(I)-μ~3~-2,2'-[o-phenylenebis(methylenethio)]dianiline- κ^4^N:S,S':N'] nitrate chloroform solvate]","","- C21 H21 Ag Cl3 N3 O3 S2 -","- C21 H21 Ag Cl3 N3 O3 S2 -","- C42 H42 Ag2 Cl6 N6 O6 S4 -","2","1","NA1660","Zheng, Yan; Wang, Shu-Li","<i>catena</i>-Poly[[silver(I)-μ~3~-2,2'-[<i>o</i>-phenylenebis(methylenethio)]dianiline-κ^4^<i>N</i>:<i>S</i>,<i>S</i>':<i>N</i>'] nitrate chloroform solvate]","Acta Crystallographica Section C","2004","60","6","m278","m279","10.1107/S0108270104009473","","","0.71073","MoKα","","0.1042","0.0528","","","","0.1522","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014041","30.344","0.003","3.6676","0.0003","19.1508","0.0017","90","","107.578","0.001","90","","2031.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^N,N',O)dicopper(I) monohydrate","","- C24 H16 Cu2 N4 O3 -","- C24 H14 Cu2 N4 O3 -","- C96 H56 Cu8 N16 O12 -","4","0.5","NA1661","Lu, Li-Ping; Feng, Si-Si; Zhang, Hong-Mei; Zhu, Miao-Li","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>)dicopper(I)(<i>Cu{—</i>Cu}) monohydrate","Acta Crystallographica Section C","2004","60","6","m283","m284","10.1107/S0108270104010078","","","0.71073","MoKα","","0.0693","0.0613","","","0.1919","0.1976","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014042","8.7393","0.0009","8.9284","0.0009","15.9117","0.0017","90","","90","","90","","1241.6","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","","- C10 H18 N2 S2 -","- C10 H18 N2 S2 -","- C40 H72 N8 S8 -","4","1","OB1167","Jem-Mau Lo; Golam Mostafa; Ling-Yin Chang; Fen-Ling Liao; Tian-Huey Lu","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","Acta Crystallographica Section C","2004","60","4","o276","o277","10.1107/S0108270104004688","","","0.71073","MoKα","","0.076","0.0349","","","0.0688","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014043","13.145","0.005","13.333","0.004","14.332","0.004","90","","90","","90","","2511.9","1.4","297.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H36 Cl2 Cu N4 O10 -","- C14 H36 Cl2 Cu N4 O10 -","- C56 H144 Cl8 Cu4 N16 O40 -","4","0.25","OB1168","Akitsu, Takashiro; Einaga, Yasuaki","Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate","Acta Crystallographica Section C","2004","60","4","m162","m164","10.1107/S010827010400349X","","","0.7107","MoKα","","","0.0554","","","","0.1799","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014044","8.6247","0.0012","14.7854","0.001","16.6181","0.0014","90","","99.352","0.012","90","","2091","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","OB1170","Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","Acta Crystallographica Section C","2004","60","4","o278","o280","10.1107/S0108270104004949","","","0.71073","MoKα","","0.1294","0.0502","","","0.1264","0.1575","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014045","14.759","0.003","17.829","0.004","15.736","0.004","90","","92.669","0.012","90","","4136.3","1.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Azido[1,1'- bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Azido-2κN-bis[μ-(1η^5^:2κP)-diphenylphosphinocyclopentadienyl][2(η^5^)- pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate","","- C44 H43 F6 Fe N3 P3 Rh -","- C44 H43 F6 Fe N3 P3 Rh -","- C176 H172 F24 Fe4 N12 P12 Rh4 -","4","1","OB1171","Han, Won Seok; Lee, Soon W.","Azido[1,1'-bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Acta Crystallographica Section C","2004","60","4","m189","m190","10.1107/S0108270104004779","","","0.71073","MoKα","","0.1448","0.0645","","","0.1255","0.1588","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014046","9.2663","0.0005","7.0716","0.0004","15.461","0.001","90","","90.194","0.002","90","","1013.12","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-3-hydroxy-4-phenylthiazolium chloride","","- C9 H9 Cl N2 O S -","- C9 H9 Cl N2 O S -","- C36 H36 Cl4 N8 O4 S4 -","4","1","OB1172","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-3-hydroxy-4-phenylthiazolium chloride: π-stacked hydrogen-bonded chains of edge-fused <i>R</i>_<b>4</b>^<b>2</b>(11) rings","Acta Crystallographica Section C","2004","60","4","o273","o275","10.1107/S0108270104004780","","","0.71073","MoKα","","0.0638","0.0448","","","0.1089","0.1192","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014047","11.906","0.0001","14.795","0.0006","18.6611","0.0007","90","","97.057","0.002","90","","3262.24","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Pentaethylenehexamine manganese(II) pentaborate","","- C10 H36 B10 Mn N6 O20 -","- C10 H36 B10 Mn N6 O20 -","- C40 H144 B40 Mn4 N24 O80 -","4","0.5","OB1173","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Pentaethylenehexaminemanganese(II) pentaborate","Acta Crystallographica Section C","2004","60","6","m241","m243","10.1107/S0108270104007942","","","0.71073","MoKα","","0.1469","0.0764","","","0.1208","0.15","","","","","","1.192","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014048","6.9909","0.0014","11.719","0.002","11.2519","0.0016","90","","96.909","0.009","90","","915.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^N^3^,O^4^:O^5^]","","- C10 H6 Fe N4 O8 -","- C10 H6 Fe N4 O8 -","- C20 H12 Fe2 N8 O16 -","2","0.5","OB1176","Xu, Ying; Wang, Rui-Hu; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^]","Acta Crystallographica Section C","2004","60","6","m296","m298","10.1107/S0108270104009813","","","0.71073","MoKα","","0.0546","0.0494","","","0.1714","0.1775","","","","","","1.177","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014049","10.412","0.002","8.996","0.002","10.836","0.002","90","","105.94","0.01","90","","975.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium gadolinium polyphosphate","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd4 K4 O48 P16 -","4","1","SK1694","Rekik, Walid; Naïli, Houcine; Mhiri, Tahar","Potassium gadolinium polyphosphate, KGd(PO~3~)~4~","Acta Crystallographica Section C","2004","60","4","i50","i52","10.1107/S0108270104004603","","","0.71073","MoKα","","0.0183","0.0176","","","0.0455","0.0458","","","","","","1.239","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014050","15.3979","0.0003","10.3781","0.0002","11.8825","0.0003","90","","109.979","0.0008","90","","1784.56","0.07","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(P,M)-1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenz[c,e]oxepine","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0652","0.0442","","","0.1179","0.1297","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014051","16.6918","0.0004","9.6863","0.0003","17.5921","0.0005","90","","90","","90","","2844.32","0.14","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","(P,M)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[c,e]oxepine","","- C40 H32 O -","- C40 H32 O -","- C160 H128 O4 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0634","0.0454","","","0.1149","0.1285","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014052","19.308","0.003","6.0911","0.0011","16.109","0.003","90","","113.405","0.003","90","","1738.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{4-[(2-pyridylideneamino)sulfonyl]phenyldiazenyl}salicylic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C72 H56 N16 O20 S4 -","4","1","SK1702","Blake, Alexander J.; Lin, Xiang; Schröder, Martin; Wilson, Claire; Yuan, Rong-Xin","The imide tautomer of sulfasalazine","Acta Crystallographica Section C","2004","60","4","o226","o228","10.1107/S0108270104003026","","","0.71073","MoKα","","0.104","0.0665","","","0.166","0.195","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014053","9.3723","0.0002","9.4254","0.0002","12.308","0.0003","89.7146","0.0012","68.5508","0.0011","77.0903","0.001","982.85","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2-Hydroxyphenyl)propan-2-one O-methyloxime","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","SK1704","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>)-1-(2-Hydroxyphenyl)propan-2-one <i>O</i>-methyloxime forms hydrogen-bonded chains of edge-fused <i>R</i>f̱{_4^4}(16) and <i>R</i>f̱{_4^4}(24) rings","Acta Crystallographica Section C","2004","60","4","o245","o247","10.1107/S0108270104003737","","","0.71073","MoKα","","0.0692","0.0508","","","0.1356","0.1543","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014054","8.7337","0.0009","19.8208","0.0014","13.6271","0.0015","90","","99.059","0.013","90","","2329.5","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Dicarbethoxy-3,4-dihydroxythiophene","diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","","- C10 H12 O6 S -","- C10 H12 O6 S -","- C80 H96 O48 S8 -","8","2","SK1705","Faulmann, Christophe; Pullen, Anthony E.","A substituted EDOT precursor: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","Acta Crystallographica Section C","2004","60","5","o338","o340","10.1107/S0108270104006754","","","0.71073","MoKα","","0.06","0.0346","","","0.0659","0.072","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014055","15.01","0.0005","14.7055","0.0006","22.6909","0.0006","90","","91.571","0.002","90","","5006.7","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^O:O'- bis[dibenzyldichlorotin(IV)]","","- C54 H52 Cl4 O2 P2 Sn2 -","- C54 H52 Cl4 O2 P2 Sn2 -","- C216 H208 Cl16 O8 P8 Sn8 -","4","0.5","SK1706","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","μ-Ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>'-bis[dibenzyldichlorotin(IV)]: a centrosymmetric complex containing trigonal-bipyramidal tin(IV), linked into chains of rings by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","4","m172","m173","10.1107/S0108270104003981","","","0.71073","MoKα","","0.0841","0.0399","","","0.0718","0.083","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014056","5.9856","0.0003","18.1464","0.0009","10.7139","0.0004","90","","98.457","0.003","90","","1151.06","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8,8-Trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0574","0.0428","","","0.105","0.1138","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014057","10.0469","0.0002","16.4547","0.0004","12.7983","0.0002","90","","108.495","0.0012","90","","2006.52","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-tert-Butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C23 H29 N3 O2 -","- C23 H29 N3 O2 -","- C92 H116 N12 O8 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0701","0.0421","","","0.1047","0.1237","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014058","7.287","0.002","7.962","0.003","9.583","0.003","75.643","0.004","76.678","0.004","89.697","0.004","523.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis(1H-benzotriazole-κN^3^)cobalt(II)]-di-μ-tricyanomethanido- κ^2^N:N']","","- C20 H10 Co N12 -","- C20 H10 Co N12 -","- C20 H10 Co N12 -","1","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0524","0.0514","","","0.1294","0.1307","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014059","16.107","0.009","7.547","0.004","17.437","0.01","90","","90","","90","","2120","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']","","- C18 H16 Mn N10 -","- C18 H16 Mn N10 -","- C72 H64 Mn4 N40 -","4","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0578","0.035","","","0.0782","0.0861","","","","","","0.938","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014060","8.5855","0.0003","6.6129","0.0002","22.0221","0.0008","90","","91.833","0.0017","90","","1249.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenoxyacetanilide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK1709","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Nitrophenoxyacetanilide: a chain of rings generated by C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","4","o290","o292","10.1107/S010827010400513X","","","0.71073","MoKα","","0.0664","0.04","","","0.0972","0.108","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014061","7.4094","0.0009","14.5472","0.0016","12.8512","0.0019","90","","97.757","0.011","90","","1372.5","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[di-μ-azido-κ^4^N^1^:N^1^-bis[[bis(3-aminopropyl)methylamine- κ^3^N]copper(II)]]-μ-cyano-[dicyanonickel(II)]-μ-cyano]","","- C18 H38 Cu2 N16 Ni -","- C18 H38 Cu2 N16 Ni -","- C36 H76 Cu4 N32 Ni2 -","2","0.5","SK1710","Ghoshal, Debajyoti; Maji, Tapas Kumar; Rosair, Georgina; Mostafa, Golam","A heterometallic polymeric complex: [Cu~2~(N~3~)~2~(medpt)~2~{Ni(CN)~4~}]~<i>n~</i> [medpt is bis(3-aminopropyl)methylamine]","Acta Crystallographica Section C","2004","60","5","m212","m214","10.1107/S0108270104007152","","","0.71073","MoKα","","0.0632","0.0426","","","0.1041","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014062","7.2644","0.0004","7.8657","0.0003","10.1522","0.0005","90","","103.19","0.002","90","","564.79","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C12 H17 N S -","- C12 H17 N S -","- C24 H34 N2 S2 -","2","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0318","0.0292","","","0.0688","0.07","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014063","16.1757","0.0002","12.5444","0.0003","8.2147","0.0002","90","","90","","90","","1666.88","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C19 H21 N O S -","- C19 H21 N O S -","- C76 H84 N4 O4 S4 -","4","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0528","0.0453","","","0.119","0.1297","","","","","","1.257","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014064","6.8086","0.0001","10.5682","0.0003","32.5223","0.0007","80.7761","0.0009","87.7492","0.0013","74.1122","0.0011","2221.61","0.09","160","2","160","2","","","","","","","","5","P 1","P 1","1","","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","","- C25.5 H32 F N3 O1.5 -","- C25.5 H32 F N3 O1.5 -","- C102 H128 F4 N12 O6 -","4","4","SK1714","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","Acta Crystallographica Section C","2004","60","6","o405","o407","10.1107/S0108270104008455","","","0.71073","MoKα","","0.0623","0.0417","","","0.0825","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014065","9.6349","0.0003","22.5791","0.0007","9.1895","0.0004","90","","91.253","0.002","90","","1998.67","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis[(4-methylphenyl)sulfanyl]-4H-1-benzothiopyran-4-one 1,1-dioxide","","- C23 H18 O3 S3 -","- C23 H18 O3 S3 -","- C92 H72 O12 S12 -","4","1","SK1715","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2,3-Bis[(4-methylphenyl)sulfanyl]-4<i>H</i>-1-benzothiopyran-4-one 1,1-dioxide forms a framework built from C—H···O, C—H···π(arene) and π‒π interactions","Acta Crystallographica Section C","2004","60","5","o350","o352","10.1107/S0108270104006286","","","0.71073","MoKα","","0.0859","0.044","","","0.0945","0.1071","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014066","5.2539","0.0002","16.209","0.0008","26.5417","0.0009","84.85","0.002","88.951","0.002","87.607","0.002","2248.97","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Phenoxybenzenesulfonamide","","- C12 H11 N O3 S -","- C12 H11 N O3 S -","- C96 H88 N8 O24 S8 -","8","4","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.1446","0.0655","","","0.1753","0.2027","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014067","5.3804","0.0002","7.9959","0.0004","14.4462","0.0007","90","","95.226","0.002","90","","618.91","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-2-phenoxybenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.0588","0.055","","","0.1411","0.1447","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014068","9.6413","0.0011","17.3888","0.0011","15.8778","0.0011","90","","95.373","0.008","90","","2650.2","0.4","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^- benzodiazaphosphol-2-yl]-1-phenylmethanol:","","- C29 H35 N2 O2 P -","- C29 H35 N2 O2 P -","- C116 H140 N8 O8 P4 -","4","2","SK1717","Moreno, Gloria E.; Quintero, Leticia; Bernès, Sylvain; Anaya de Parrodi, Cecilia","(3a<i>S</i>,7a<i>S</i>)-1-{2-Oxo-1,3-bis[(<i>S</i>)-1-phenylethyl]perhydro-1,3,2λ^5^-benzodiazaphosphol-2-yl}-1-phenylmethanol: a mixture of diastereoisomers in a disordered crystal","Acta Crystallographica Section C","2004","60","6","o411","o414","10.1107/S0108270104008492","","","0.71073","MoKα","","0.0702","0.0466","","","0.1182","0.1293","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014069","22.077","0.003","5.9332","0.0009","7.956","0.0008","90","","94.76","0.01","90","","1038.5","0.2","298","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","SK1718","Ohba, Shigeru; Ito, Yoshikatsu","Ammonium 4-methoxycinnamate","Acta Crystallographica Section C","2004","60","6","o393","o394","10.1107/S0108270104008261","","","0.7107","MoKα","","","0.0469","","","","0.1486","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014070","7.8495","0.0006","14.0847","0.0015","17.2325","0.0018","113.187","0.004","98.515","0.006","96.4","0.007","1701.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Nitrophenoxy)benzoic acid","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C78 H54 N6 O30 -","6","3","SK1719","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having <i>Z</i>' = 3","Acta Crystallographica Section C","2004","60","5","o361","o363","10.1107/S0108270104007036","","","0.71073","MoKα","","0.2344","0.0596","","","0.104","0.1488","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014071","7.899","0.0003","10.0386","0.0003","10.05","0.0003","74.938","0.002","84.271","0.002","81.842","0.002","760.1","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4',4'-Dimethyl-2-methylsulfanyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine- 6-spiro-1'-cyclohexane-2',4,6'-trione","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C30 H38 N6 O6 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0582","0.0457","","","0.1179","0.1253","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014072","6.6682","0.0002","11.0319","0.0003","12.3449","0.0004","109.268","0.0018","99.8329","0.0018","101.227","0.002","813.32","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-Hydroxymethyl-4',4'-dimethyl-2-methylsulfanyl-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C16 H21 N3 O4 S -","- C16 H21 N3 O4 S -","- C32 H42 N6 O8 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0883","0.0514","","","0.1227","0.14","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014073","8.9219","0.0005","9.9806","0.0005","11.3542","0.0007","75.662","0.003","85.58","0.003","66.526","0.003","898.22","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-Ethoxymethyl-4',4'-dimethyl-2-methoxy-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C18 H25 N3 O5 -","- C18 H25 N3 O5 -","- C36 H50 N6 O10 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.1493","0.0559","","","0.1207","0.164","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014074","10.538","0.002","16.214","0.003","7.1988","0.0014","90","","95.85","0.03","90","","1223.6","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N6 O4 -","- C8 H16 N6 O4 -","- C32 H64 N24 O16 -","4","1","SQ1149","Choi, Chan Soo; Venkatraman, Ramaiyer; Kim, Eun Hee; Hwang, Hae Sook; Kang, Sung Kwon","Cocrystallization of melaminium levulinate monohydrate","Acta Crystallographica Section C","2004","60","4","o295","o296","10.1107/S0108270104005207","","","0.71073","MoKα","","","0.048","","","","0.1374","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014075","5.0127","0.0008","6.032","0.0009","21.79","0.003","90","","90","","90","","658.86","0.17","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-isocyano-4-nitrobenzene","p-Nitrophenyl isocyanide","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C28 H16 N8 O8 -","4","1","SQ1151","Zeller, Matthias; Hunter, Allen D.","<i>p</i>-Nitrophenyl isocyanide","Acta Crystallographica Section C","2004","60","6","o415","o417","10.1107/S0108270104007115","","","0.71073","MoKα","","0.0308","0.0301","","","0.0801","0.0808","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014076","11.1738","0.0009","8.2212","0.0007","12.1466","0.001","90","","116.224","0.002","90","","1000.96","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Polymeric (μ~2~-nitrato-κ^2^O:O')(μ~2~-nitrato-κ^2^O:O)(μ~4~-pyridinium-4- thiolato-κ^4^S:S:S:S)disilver(I)(Ag—Ag)","","- C5 H5 Ag2 N3 O6 S -","- C5 H5 Ag2 N3 O6 S -","- C20 H20 Ag8 N12 O24 S4 -","4","1","SQ1154","Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Zhao-Ji Li; Jian-Kai Cheng; Yuan-Gen Yao","Polymeric (μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>)(μ~4~-pyridinium-4-thiolato-κ^4^<i>S</i>:<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)","Acta Crystallographica Section C","2004","60","6","m263","m265","10.1107/S0108270104006936","","","0.71073","MoKα","","","0.0428","","","0.0994","0.1082","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014077","9.522","0.003","12.707","0.004","10.757","0.003","90","","99.418","0.006","90","","1284","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminomethyl-1H-benzimidazole-κ^2^N^2^,N^3^)dithiocyanatocopper(II)","","- C10 H9 Cu N5 S2 -","- C10 H9 Cu N5 S2 -","- C40 H36 Cu4 N20 S8 -","4","1","SQ1155","Jiang, Yun-Bo; Kou, Hui-Zhong; Gao, Fei; Wang, Ru-Ji","A novel thiocyanate-bridged one-dimensional chain complex: [Cu(NCS)~2~(Hambi)] (Hambi is 2-aminomethyl-1<i>H</i>-benzimidazole)","Acta Crystallographica Section C","2004","60","6","m261","m262","10.1107/S0108270104009102","","","0.71073","MoKα","","0.0985","0.0493","","","0.0757","0.0849","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014078","5.6432","0.0003","14.5521","0.0008","20.9417","0.0012","90","","96.799","0.007","90","","1707.65","0.17","173","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0328","","","","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014079","6.4796","0.0004","17.968","0.0009","16.0587","0.0009","90","","90","","90","","1869.64","0.18","173","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0282","","","","0.0681","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014080","7.497","0.001","13.93","0.002","14.282","0.002","90","","90","","90","","1491.5","0.4","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin water solvate","4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl) pyran-2-yl]-α-resorcylic acid δ-lactone monohydrate","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SX1134","Ye, Yi-Ping; Sun, Hong-Xiang; Pan, Yuan-Jiang","Bergenin monohydrate from the rhizomae of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","6","o397","o398","10.1107/S0108270104008364","","","0.71073","MoKα","","0.0502","0.0364","","","0.084","0.0875","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014081","11.1357","0.0017","11.8679","0.0014","12.3278","0.0019","90","","90","","90","","1629.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","nickel(II) (-)-sparteine dichloride","dichloro[(-)-sparteine-N,N']nickel(II)","","- C15 H26 Cl2 N2 Ni -","- C15 H26 Cl2 N2 Ni -","- C60 H104 Cl8 N8 Ni4 -","4","1","TA1437","Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2004","60","4","m174","m176","10.1107/S0108270104004494","","","0.71073","MoKα","","0.0841","0.0552","","","0.1174","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014082","19.854","0.002","9.8278","0.0011","22.198","0.002","90","","109.006","0.01","90","","4095.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methylpiridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C14 H9 N5 O2 -","- C14 H9 N5 O2 -","- C168 H108 N60 O24 -","12","3","TA1438","Tafeenko, Viktor A.; Nikolaev, Aleksander N.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>-Methylpyridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","4","o297","o299","10.1107/S0108270104005372","","","1.5418","CuKα","","0.1066","0.0567","","","0.1268","0.1525","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014083","19.309","0.004","6.421","0.0013","13.735","0.003","90","","113.2","0.03","90","","1565.2","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-tert-butoxycarbonyl-2-phenylpyrrolidine-2-carboxylic acid","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0679","0.0409","","","0.0873","0.0976","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014084","8.8302","0.0018","10.077","0.002","10.094","0.002","99.74","0.03","92.53","0.03","111.39","0.03","818.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-ammoniomethyl-1-benzyl-5-oxo-2-phenylpyrrolidine chloride","","- C18 H21 Cl N2 O -","- C18 H21 Cl N2 O -","- C36 H42 Cl2 N4 O2 -","2","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0471","0.0369","","","0.1007","0.1069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014085","7.646","0.003","8.69","0.003","9.266","0.003","95.43","0.005","105.054","0.006","100.884","0.005","577.1","0.4","193.15","0.02","193","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)- κ^2^N^4^:N^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^N^1^:N^1^]","","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","1","0.5","TR1078","Xia Zhu; Baozong Li; Junhui Zhou; Baolong Li; Zhang Yong","The infinite one-dimensional chain polymer <i>catena</i>-poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","Acta Crystallographica Section C","2004","60","4","m191","m193","10.1107/S0108270104005542","","","0.71073","MoKα","","0.0275","0.0254","","","0.0619","0.0629","","","","","","1.06","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014086","9.616","0.005","10.395","0.005","12.477","0.005","86.112","0.005","83.778","0.005","88.08","0.005","1236.5","1","293","2","","","","","","","","","","5","P -1","-P 1","2","","cis-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κP)platinum(II)","","- C24 H34 N6 P2 Pt -","- C24 H34 N6 P2 Pt -","- C48 H68 N12 P4 Pt2 -","2","1","TR1089","Muller, Alfred; Roodt, Andreas","<i>cis</i>-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2004","60","6","m266","m268","10.1107/S0108270104009096","","","0.71069","MoKα","","","0.0453","","","","0.0833","","","","","","0.883","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014087","10.5166","0.0016","15.297","0.002","15.497","0.002","90.788","0.003","91.362","0.004","96.273","0.003","2477.1","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1- hydroxyethylidene)diphosphonato(4-)]diruthenium(II,III)(Ru—Ru) chloride trihydrate","","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C32 H124 Cl6 Co4 N24 O34 P8 Ru4 -","2","1","AV1174","Peng, Yang; Li, Yi-Zhi; Bao, Song-Song; Zheng, Li-Min","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1-hydroxyethylidene)diphosphonato(4‒)]diruthenium(II,III)(<i>Ru{‒</i>Ru}) chloride trihydrate","Acta Crystallographica Section C","2004","60","7","m302","m304","10.1107/S0108270104009333","","","0.71073","MoKα","","0.0482","0.0413","","","0.1085","0.1094","","","","","","1.086","","","","has coordinates,has Fobs","133636","2020-10-21","18:00:00",""
"2014088","10.292","0.003","11.564","0.003","13.944","0.004","95.843","0.003","109.438","0.003","103.123","0.003","1495.4","0.7","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato-1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^N',O'',O''')dinickel(II)sodium(I) pentahydrate","","- C16 H38 Cl N2 Na Ni2 O21 -","- C16 H38 Cl N2 Na Ni2 O21 -","- C32 H76 Cl2 N4 Na2 Ni4 O42 -","2","1","AV1181","Meng, Bian-Hong; Fei, Gao; Zhu, Miao-Li","A novel Na‒O‒Ni‒O‒Ni bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate","Acta Crystallographica Section C","2004","60","7","m308","m310","10.1107/S0108270104011023","","","0.71073","MoKα","","0.0682","0.047","","","0.0771","0.0813","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014089","14.334","0.002","17.766","0.003","13.849","0.002","90","","90","","90","","3526.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate","","- C37 H36 Cl Co N6 O6 -","- C37 H36 Cl Co N6 O6 -","- C148 H144 Cl4 Co4 N24 O24 -","4","1","AV1186","Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo","An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2‒)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate","Acta Crystallographica Section C","2004","60","9","m431","m432","10.1107/S0108270104016877","","","0.71069","MoKα","","0.0712","0.0384","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014090","9.2623","0.0004","16.8814","0.0007","9.2119","0.0005","90","","96.281","0.003","90","","1431.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetramethylammonium pentaborate hydrate","","- C4 H16 B5 N O10.25 -","- C4 H16.5 B5 N O10.25 -","- C16 H66 B20 N4 O41 -","4","1","AV1187","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Tetramethylammonium pentaborate 0.25-hydrate","Acta Crystallographica Section C","2004","60","8","o545","o546","10.1107/S0108270104013915","","","0.71073","MoKα","","0.1044","0.0638","","","0.1475","0.1766","","","","","","1.118","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2014091","7.3232","0.0007","10.8613","0.001","12.0558","0.0011","97.28","0.001","100.32","0.002","91.15","0.001","934.9","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-sulfobenzenecarboxylato)bis[(1,10-phenanthroline)lead(II)] dihydrate","","- C38 H28 N4 O12 Pb2 S2 -","- C19 H14 N2 O6 Pb S -","- C38 H28 N4 O12 Pb2 S2 -","2","1","AV1191","Li, Xin-Hua; Yang, Sai-Zhen","Bis(μ-2-sulfonatobenzoato)bis[(1,10-phenanthroline)lead(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m423","m425","10.1107/S0108270104016889","","","0.71073","MoKα","","0.0272","0.0252","","","0.0607","0.0615","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014092","15.487","0.003","22.117","0.004","10.442","0.002","90","","90","","90","","3576.7","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis{μ-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","","- C32 H48 Cl4 Cu2 N4 O2 -","- C32 H48 Cl4 Cu2 N4 O2 -","- C128 H192 Cl16 Cu8 N16 O8 -","4","0.5","AV1192","You, Zhong-Lu; Zhu, Hai-Liang","Bis{μ-2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","Acta Crystallographica Section C","2004","60","9","m445","m446","10.1107/S0108270104017718","","","0.71073","MoKα","","0.1394","0.0713","","","0.0883","0.1038","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014093","10.2148","0.0014","10.2148","0.0014","7.174","0.0014","90","","90","","120","","648.26","0.18","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","catena-Poly[1,4-diazonia[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^S:S]]","","- C9 H14 Ag N5 S3 -","- C9 H14 Ag N5 S3 -","- C18 H28 Ag2 N10 S6 -","2","0.166667","AV1193","Liu, Zhao-Di; Zou, Ying; Tan, Min-Yu; Zhu, Hai-Liang","<i>catena</i>-Poly[1,4-diazoniabicyclo[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^<i>S</i>:<i>S</i>]]","Acta Crystallographica Section C","2004","60","9","m447","m448","10.1107/S010827010401772X","","","0.71073","MoKα","","0.0683","0.0668","","","0.1667","0.1677","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014094","21.487","0.005","3.92","0.001","11.738","0.005","90","","111.913","0.005","90","","917.2","0.5","95","","95","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","lithium hexavanadate","","","- Li3.24 O13 V6 -","- Li3.24 O13 V6 -","- Li12.96 O52 V24 -","4","0.5","BC1040","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Lithium vanadate Li~3+<i>x~</i>V~6~O~13~ at low temperature","Acta Crystallographica Section C","2004","60","7","i66","i68","10.1107/S0108270104012508","","","0.872","Synchrotron","","0.0764","0.0764","","","0.0687","0.0687","","","","","","2.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014095","7.503","0.002","18.766","0.004","7.733","0.002","90","","92.59","0.03","90","","1087.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","caesium silver nickel hexathiocyanate dihydrate","dicaesium disilver nickel hexathiocyanate dihydrate","","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C12 H8 Ag4 Cs4 N12 Ni2 O4 S12 -","2","0.5","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0443","0.0315","","","0.0715","0.0767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014096","5.554","0.001","13.294","0.003","12.589","0.003","90","","96.87","0.03","90","","922.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium nickel(II) thiocyanate","caesium nickel trithiocyanate","","- C3 Cs N3 Ni S3 -","- C3 Cs N3 Ni S3 -","- C12 Cs4 N12 Ni4 S12 -","4","1","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0258","0.0222","","","0.0548","0.0567","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014097","9.3557","0.0011","5.3107","0.0007","6.5432","0.0012","90","","108.259","0.011","90","","308.73","0.08","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium hypophosphite","lithium dihydrogenphosphate(I)","","- H2 Li O2 P -","- H2 Li O2 P -","- H8 Li4 O8 P4 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.0391","0.0377","","","0.1046","0.1059","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014098","5.0117","0.0005","5.0117","0.0005","20.051","0.003","90","","90","","90","","503.62","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","beryllium bis(hypophosphite)","beryllium bis[dihydrogenphosphate(I)]","","- Be H4 O4 P2 -","- Be H4 O4 P2 -","- Be4 H16 O16 P8 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.041","0.0327","","","0.0923","0.0983","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014099","10.096","0.002","10.096","0.002","5.961","0.001","90","","90","","120","","526.2","0.17","293","2","293","2","","","","","","","","3","P 63","P 6c","173","cerium iron sulfide","tricerium(III) diiron(II,III) heptasulfide","","- Ce3 Fe1.94 S7 -","- Ce3 Fe1.942 S7 -","- Ce6 Fe3.884 S14 -","2","0.333333","BC1047","Mills, Allison M.; Ruck, Michael","Cerium iron sulfide, Ce~3~Fe~1.94~S~7~","Acta Crystallographica Section C","2004","60","8","i71","i72","10.1107/S0108270104013708","","","0.71073","MoKα","","0.0508","0.0505","","","0.1346","0.1353","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014100","8.349","0.002","10.59","0.002","9.189","0.002","90","","109.37","0.03","90","","766.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium scandium hydrogen arsenate","potassium scandium hydrogen arsenate(V)","","- As2 H2 K O8 Sc -","- As2 H2 K O8 Sc -","- As8 H8 K4 O32 Sc4 -","4","0.5","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.015","0.0142","","","0.0388","0.0391","","","","","","1.157","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014101","7.837","0.002","10.625","0.002","8.778","0.002","90","","106.45","0.03","90","","701","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rubidium scandium diarsenate","rubidium scandium diarsenate(V)","","- As2 O7 Rb Sc -","- As2 O7 Rb Sc -","- As8 O28 Rb4 Sc4 -","4","1","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.0326","0.0232","","","0.0515","0.054","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014102","7.52","0.002","9.39","0.002","10.05","0.002","65.48","0.03","70.66","0.03","70.1","0.03","592","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As6 Cs3 H6 O24 Sc3 -","3","1.5","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0283","0.0233","","","0.0551","0.057","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014103","5.546","0.001","9.375","0.002","15.034","0.003","90","","95.16","0.03","90","","778.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As8 Cs4 H8 O32 Sc4 -","4","1","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0414","0.0353","","","0.0833","0.0852","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014104","10.938","0.002","11.464","0.002","22.038","0.004","90","","90","","90","","2763.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cerium chromate hydrate","dicerium(IV) tetrachromate(VI) dihydrate","","- Ce2 Cr4 H4 O18 -","- Ce2 Cr4 H4 O18 -","- Ce16 Cr32 H32 O144 -","8","1","BC1054","Kolitsch, Uwe; Schwendtner, Karolina","A new chromate of tetravalent cerium: Ce~2~(CrO~4~)~4~·2H~2~O","Acta Crystallographica Section C","2004","60","9","i89","i90","10.1107/S0108270104017275","","","0.71073","MoKα","","0.0212","0.0176","","","0.0431","0.0442","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014105","8.3331","0.0012","14.695","0.002","9.2384","0.0013","90","","106.619","0.003","90","","1084","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5,6,7,8,13,14-hexahydrobis[1,2,5]oxadiazolo[3,4-b:3',4'-f] [1,8,4,5]dioxadiazacyclododecine","6,9,14,17-tetraoxa-2,3,5,7,16,18-hexaazatricyclo[13.3.0.0^4,8^]octadeca- 4,7,15,18-tetraene","","- C8 H10 N6 O4 -","- C8 H10 N6 O4 -","- C32 H40 N24 O16 -","4","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.0616","0.0557","","","0.1592","0.1713","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014106","31.363","0.006","6.055","0.0012","15.724","0.003","90","","98.34","0.03","90","","2954.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-[2-(2-{2-[(4-amino-1,2,5-oxadiazol-3-yl)oxy]ethoxy}ethoxy)ethoxy]- 1,2,5-oxadiazol-3-amine","1,8-bis(5-aminofurazan-4-yloxy)-3,6-dioxaoctane","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C80 H128 N48 O48 -","8","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.064","0.0356","","","0.096","0.1092","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014107","21.6096","0.0008","7.216","0.0002","17.6529","0.0006","90","","90","","90","","2752.7","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Cu2 N4 O8 -","- C28 H28 Cu2 N4 O8 -","- C112 H112 Cu8 N16 O32 -","4","0.5","BM1570","Yi-Hang Wen; Ye-Yan Qin; Jian Zhang; Zhao-Ji Li; Jian-Kai Cheng; Yao Kang; Yuan-Gen Yao","<i>catena</i>-Poly[[[aquacopper(I)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] hemi(isophthalate) monohydrate]","Acta Crystallographica Section C","2004","60","8","m371","m372","10.1107/S0108270104014106","","","0.71073","MoKα","","0.0976","0.0586","","","0.139","0.164","","","","","","1.11","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2014108","7.2167","0.0006","14.6054","0.0014","8.499","0.0008","90","","98.716","0.005","90","","885.47","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(chloromethyl)pyridinium chloride","","- C7 H8 Cl3 N -","- C7 H8 Cl3 N -","- C28 H32 Cl12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0454","0.031","","","0.0754","0.0807","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014109","7.4633","0.0006","15.0136","0.0012","8.7377","0.0006","90","","99.146","0.004","90","","966.62","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(bromomethyl)pyridinium bromide","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C28 H32 Br12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0269","0.022","","","0.0549","0.0573","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014110","9.852","0.006","16.268","0.009","9.512","0.006","90","","119.904","0.006","90","","1321.5","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloro-N-[4-(dimethylamino)benzylidene]aniline","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","DE1245","Xiu-Li You; Cheng-Rong Lu; Yong Zhang; De-Chun Zhang","C—H···π, π‒π and C—H···Cl interactions in chloro-substituted Schiff bases and 4-chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline","Acta Crystallographica Section C","2004","60","9","o693","o695","10.1107/S0108270104017871","","","0.7107","MoKα","","0.0603","0.0555","","","0.1401","0.1433","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014111","15.6","0.003","14.235","0.003","5.8621","0.0011","90","","92.029","0.004","90","","1301","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-4'-bromo-chalcone","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","DE1246","Wang, Lei; Zhang, Yong; Lu, Cheng-Rong; Zhang, De-Chun","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","2004","60","9","o696","o698","10.1107/S0108270104017883","","","0.7107","MoKα","","0.0477","0.0429","","","0.0896","0.0912","","","","","","1.242","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014112","7.882","0.002","12.05","0.003","12.602","0.004","90","","99.273","0.005","90","","1181.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2-) 4-nitrophthalic acid monohydrate","","- C21 H24 N4 O13 -","- C21 H24 N4 O13 -","- C42 H48 N8 O26 -","2","1","DE1248","Guo Ming-Lin","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2‒) 4-nitrophthalic acid monohydrate","Acta Crystallographica Section C","2004","60","9","o690","o692","10.1107/S0108270104018207","","","0.71073","MoKα","","0.0483","0.0366","","","0.0818","0.0904","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014113","8.184","0.005","19.786","0.011","12.884","0.007","90","","96.994","0.01","90","","2071","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[1(E)-(4-methoxyphenyl)methylene]amino}-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKa","","0.0469","0.0394","","","0.1103","0.1193","","","","","","0.825","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014114","7.658","0.007","12.365","0.011","12.569","0.011","108.49","0.013","103.745","0.014","106.02","0.013","1013.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-methylphenyl)-2-{[1(E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O S -","- C24 H24 N2 O S -","- C48 H48 N4 O2 S2 -","2","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKα","","0.0672","0.0565","","","0.1761","0.1922","","","","","","0.868","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014115","10.589","0.002","17.537","0.003","11.686","0.002","90","","100.954","0.003","90","","2130.5","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diacetato-κ^2^O-bis[(S)-1-(1-aminoethyl)-4-fluorophenyl-κN]palladium(II)","","- C20 H26 F2 N2 O4 Pd -","- C20 H26 F2 N2 O4 Pd -","- C80 H104 F8 N8 O16 Pd4 -","4","2","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.0225","0.0223","","","0.0607","0.0608","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014116","22.504","0.005","9.1632","0.0019","12.279","0.003","90","","109.131","0.004","90","","2392.2","0.9","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","di-μ-acetato-κ^4^O:O'-bis{[(S)-1-(1-aminoethyl)-4-fluorophenyl- k^2^C^2^,N]palladium(II)} benzene hemisolvate","","- C23 H27 F2 N2 O4 Pd2 -","- C23 H27 F2 N2 O4 Pd2 -","- C92 H108 F8 N8 O16 Pd8 -","4","1","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.042","0.0359","","","0.0685","0.0704","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014117","5.1173","0.0007","8.561","0.002","10.309","0.001","90","","94.63","0.01","90","","450.16","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","lithium molybdyl arsenate","β-LiMoO~2~AsO~4~","","- As2 Li2 Mo2 O12 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","2","DN1050","Hajji, Mounir; Zid, Mohamed Faouzi; Driss, Ahmed; Jouini, Tahar","β-LiMoO~2~(AsO~4~)","Acta Crystallographica Section C","2004","60","8","i76","i78","10.1107/S0108270104013162","","","0.71073","MoKα","","0.0274","0.0252","","","0.0629","0.0637","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014118","10.7716","0.0012","7.0104","0.0007","15.5546","0.0014","90","","90","","90","","1174.6","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","2-(6-bromo-pyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane","6a-(6-bromopyridin-2-yl)-3a-methyl-2,3,4,5-tetrahydro1,6-dioxa-3a-aza-6a- borapentalene","","- C10 H14 B Br N2 O2 -","- C10 H14 B Br N2 O2 -","- C40 H56 B4 Br4 N8 O8 -","4","1","DN1051","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative","Acta Crystallographica Section C","2004","60","8","o582","o584","10.1107/S0108270104014520","","","0.71073","MoKα","","0.0706","0.0492","","","0.131","0.1442","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014119","11.734","0.003","10.566","0.002","13.418","0.003","90","","111.44","0.01","90","","1548.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(ethyl-acetoacetate)ethylenediimine","Diethyl 3,8-dimethyl-4,7-diazadec-2,8-dienedioate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","DN1052","Jin, Zhi-Min; Li, Li; Li, Mei-Chao; Hu, Mao-Lin; Shen, Liang","Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate","Acta Crystallographica Section C","2004","60","9","o642","o643","10.1107/S0108270104016130","","","0.71073","MoKα","","0.0779","0.047","","","0.1037","0.1123","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014120","11.007","0.001","13.061","0.001","24.298","0.001","90","","112.652","0.005","90","","3223.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0473","0.0398","","","0.1119","0.1182","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014121","19.479","0.001","5.61","0.001","33.586","0.003","90","","90","","90","","3670.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","ethyl 1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole-3-carboxylate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0925","0.0378","","","0.0837","0.102","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014122","10.325","0.002","13.874","0.002","18.094","0.002","100.823","0.009","104.704","0.008","91.888","0.011","2453.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[4-(methylsulfonyl)phenyl]-3-[3-(morpholino)phenoxymethyl]-5-phenyl-1H- pyrazole","","- C27 H27 N3 O4 S -","- C27 H27 N3 O4 S -","- C108 H108 N12 O16 S4 -","4","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0672","0.0561","","","0.1565","0.1681","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014123","7.768","0.002","8.75","0.002","12.703","0.002","89.01","0.01","81.59","0.02","68.05","0.01","791.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0593","0.048","","","0.1293","0.1392","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014124","10.306","0.001","10.798","0.001","14.986","0.001","73.453","0.006","79.592","0.007","89.422","0.007","1570.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","2","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0901","0.0481","","","0.1259","0.1468","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014125","4.918","0.002","11.978","0.006","24.659","0.005","90","","96.65","0.02","90","","1442.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-(4,4,4-trifluorobutoxy)-9H-indeno[1,2-c]pyridazin-9-one","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C64 H52 F12 N8 O8 -","4","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.1852","0.0676","","","0.1861","0.2486","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014126","10.1418","0.0005","11.3396","0.0006","11.9874","0.0006","97.422","0.001","104.139","0.001","108.644","0.001","1234.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2-nitrobenzoato-kO)(1,10-phenanthroline-k^2^N,N')zinc(II)","","- C26 H18 N4 O9 Zn -","- C26 H18 N4 O9 Zn -","- C52 H36 N8 O18 Zn2 -","2","1","DN1058","Kou-Lin Zhang; Jian-Guo Lin; Ya-Qiong Wang; Wen-Lin Xu; Jiu-Tong Chen","Aquabis(2-nitrobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","2004","60","9","m454","m456","10.1107/S0108270104018165","","","0.71073","MoKα","","0.0529","0.044","","","0.0981","0.1049","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014127","10.1039","0.001","11.3131","0.0016","17.4278","0.0019","90","","105.314","0.009","90","","1921.4","0.4","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena(Bromo-ω-thiocaprolactam-gold(I))","catena-Poly[bromo(ω-thiocaprolactam-κS)gold(I)](Au—Au)","","- C6 H11 Au Br N S -","- C6 H11 Au Br N S -","- C48 H88 Au8 Br8 N8 S8 -","8","2","FA1058","Núñez Gaytán, María-Elena; Bernès, Sylvain; Rodríguez de San Miguel, Eduardo; De Gyves, Josefina","<i>catena</i>-Poly[bromo(ω-thiocaprolactam-κ<i>S</i>)gold(I)](<i>Au{—</i>Au})","Acta Crystallographica Section C","2004","60","8","m414","m417","10.1107/S0108270104014532","","","0.71073","Mo-Kα","","0.0693","0.043","","","0.0937","0.1062","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014128","9.3078","0.0019","10.329","0.002","12.898","0.003","93.51","0.03","105.33","0.03","100.75","0.03","1166.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl(5-nitrotropolonato-κ^2^O^1^,O^2^)(triphenylphosphine-κP)rhodium(I)","","- C26 H19 N O5 P Rh -","- C26 H19 N O5 P Rh -","- C52 H38 N2 O10 P2 Rh2 -","2","1","FA1061","Steyl, Gideon; Roodt, Andreas","Carbonyl(5-nitrotropolonato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(triphenylphosphine-κ<i>P</i>)rhodium(I)","Acta Crystallographica Section C","2004","60","7","m324","m326","10.1107/S0108270104011102","","","0.71069","MoKα","","0.095","0.0485","","","0.0912","0.1069","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014129","8.4478","0.0007","8.8751","0.0007","12.3854","0.0009","81.56","0.006","72.655","0.006","64.257","0.006","798.24","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)nickel(II) disaccharinate tetrahydrate","","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","1","0.5","FA1063","Paşaoğlu, Hümeyra; Tezcan, Fatma; Yeşilel, Okan Z.; ölmez, Halis; Içbudak, Hasan; Büyükgüngör, Orhan","Diaquabis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II) disaccharinate tetrahydrate","Acta Crystallographica Section C","2004","60","7","m335","m337","10.1107/S0108270104012648","","","0.71073","MoKα","","0.0463","0.0344","","","0.088","0.0915","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014130","9.135","0.005","10.972","0.005","11.968","0.005","71.537","0.005","70.118","0.005","86.582","0.005","1068.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H31 Cd N2 O11 -","- C16 H31 Cd N2 O11 -","- C32 H62 Cd2 N4 O22 -","2","1","FA1064","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Halis; Kazak, Canan","A capped trigonal prismatic cadmium complex with tetra- and tridentate ligands: bis(triethanolamine)-κ^3^<i>N</i>,<i>O</i>,<i>O</i>';κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>''-cadmium(II) squarate monohydrate","Acta Crystallographica Section C","2004","60","8","m392","m394","10.1107/S0108270104013174","","","0.71069","MoKα","","0.0516","0.044","","","0.1157","0.1179","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014131","7.79","0.002","9.971","0.002","10.832","0.002","72.59","0.03","74.79","0.03","75.64","0.03","761.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (E)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","FA1065","Juana E. Pérez-Vargas; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez; Herbert Höpfl; Efrén V. García-Báez","Ethyl (<i>E</i>)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","Acta Crystallographica Section C","2004","60","7","o517","o519","10.1107/S0108270104012806","","","0.71073","MoKα","","0.0914","0.0475","","","0.0939","0.1041","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014132","8.3891","0.0007","13.894","0.0008","14.553","0.0012","90","","94.025","0.007","90","","1692.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 N6 Ni O2 S2 -","- C10 H24 N6 Ni O2 S2 -","- C40 H96 N24 Ni4 O8 S8 -","4","1","FA1069","Karadag, Ahmet; Bulut, Ahmet; Büyükgüngör, Orhan","<i>trans</i>-Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']bis(isothiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2004","60","8","m402","m404","10.1107/S010827010401488X","","","0.71073","MoKα","","0.0624","0.0314","","","0.0716","0.077","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014133","13.0945","0.0003","16.5699","0.0003","13.1869","0.0002","90","","96.488","0.001","90","","2842.9","0.09","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","","- C22 H44 N Si4 Ti -","- C22 H44 N Si4 Ti -","- C88 H176 N4 Si16 Ti4 -","4","1","FA1076","Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","Acta Crystallographica Section C","2004","60","9","m465","m466","10.1107/S0108270104018840","","","0.71073","MoKα","","0.0828","0.054","","","0.1","0.1132","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014134","7.981","0.003","11.388","0.003","12.497","0.003","117.065","0.003","100.394","0.01","94.856","0.003","976.6","0.5","293","","293","2","","","","","","","","3","P -1","-P 1","2","Tetrahydrocurcumin","1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","FG1755","Girija, C. R.; Begum, Noor Shahina; Syed, Akheel Ahmed; Thiruvenkatam, Vijay","Hydrogen-bonding and C—H···π interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione (tetrahydrocurcumin)","Acta Crystallographica Section C","2004","60","8","o611","o613","10.1107/S0108270104015549","","","0.71073","MoKa","","0.0632","0.0554","","","0.1617","0.1709","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014135","9.256","0.006","10.939","0.007","15.169","0.009","90","","97.75","0.01","90","","1521.9","1.7","100","0.2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C20 H18 F N -","- C20 H18 F N -","- C80 H72 F4 N4 -","4","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0463","0.0381","","","0.092","0.097","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014136","9.273","0.002","10.786","0.002","10.936","0.002","61.647","0.003","65.525","0.003","69.21","0.003","858.8","0.3","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C22 H22 F N -","- C22 H22 F N -","- C44 H44 F2 N2 -","2","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0406","0.0377","","","0.0943","0.0966","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014137","12.856","0.001","15.689","0.001","10.727","0.001","90","","100.27","0.01","90","","2128.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H18 Cl2 N2 O4 S -","- C22 H18 Cl2 N2 O4 S -","- C88 H72 Cl8 N8 O16 S4 -","4","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.1181","0.0491","","","0.1158","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014138","8.975","0.002","10.167","0.005","12.876","0.001","105.06","0.02","109.89","0.02","100.97","0.03","1015.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.0495","0.0355","","","0.0911","0.0973","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014139","10.1655","0.0005","15.156","0.0007","13.8914","0.0006","90","","108.302","0.002","90","","2031.96","0.16","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5- sulfonatoisophthalato] monohydrate]","","- C40 H30 La2 N4 O18 S2 -","- C40 H30 La2 N4 O18 S2 -","- C80 H60 La4 N8 O36 S4 -","2","0.5","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0449","0.0425","","","0.1054","0.1146","","","","","","1.397","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014140","7.9902","0.0002","15.4229","0.0004","10.5753","0.0002","90","","92.606","0.001","90","","1301.87","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqualanthanum(III)-μ-5-sulfonatoisophthalato] monohydrate]","","- C8 H11 La O11 S -","- C8 H11 La O11 S -","- C32 H44 La4 O44 S4 -","4","1","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0185","0.0179","","","0.0463","0.0467","","","","","","1.146","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014141","11.0484","0.0017","11.3415","0.0018","25.919","0.004","82.62","0.003","86.414","0.003","82.697","0.003","3191.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(η^5^-cyclopentadienyl)[rel-(1R,5S,7R,14S)-(1,3,5,7,9,11,14- heptacyclopentyl-7,14-dihydroxytricyclo[7.3.3.0^15,11^]heptasiloxan-3- yl)bis(pentafluorophenyl)borinato(2-)]zirconium","","- C57 H73 B F10 O12 Si7 Zr -","- C57 H73 B F10 O12 Si7 Zr -","- C114 H146 B2 F20 O24 Si14 Zr2 -","2","1","FR1472","Garrison, Jered C.; Kim, Hoon; Collins, Scott; Youngs, Wiley J.","A fluorophenylboron-functionalized zirconium silsesquioxane complex","Acta Crystallographica Section C","2004","60","7","m357","m359","10.1107/S0108270104012296","","","0.71073","MoKα","","0.1154","0.0686","","","0.1382","0.16","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014142","36.228","0.003","5.5729","0.0006","8.9677","0.0007","90","","96.205","0.009","90","","1799.9","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-N-benzylbispyrrolidino[3,4-5,6]pyrazine","","- C22 H22 N4 -","- C22 H22 N4 -","- C88 H88 N16 -","4","1","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71069","MoKα","","0.1132","0.0683","","","0.1672","0.1812","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014143","20.852","0.002","5.6574","0.0005","8.6905","0.0009","90","","94.4","0.013","90","","1022.18","0.17","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-4'-methoxybenzylbispyrrolidino[2,3-5,6]pyrazine","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","0.5","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71073","MoKα","","0.0656","0.0304","","","0.0638","0.0708","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014144","10.4012","0.0015","4.9254","0.0007","19.162","0.003","90","","102.484","0.003","90","","958.5","0.2","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-aminopyridinium‒fumarate‒fumaric acid (2/1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C36 H40 N8 O16 -","2","0.5","FR1480","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Lönnecke, Peter","2-Aminopyridinium‒fumarate‒fumaric acid (2/1/1)","Acta Crystallographica Section C","2004","60","7","o470","o472","10.1107/S0108270104010546","","","0.71073","MoKα","","0.0489","0.0423","","","0.1081","0.1122","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014145","6.1497","0.0007","14.6894","0.0019","16.922","0.002","90","","92.6","0.01","90","","1527.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","FR1482","Yüksektepe, Çiĝdem; Saraçoĝlu, Hanife; Koca, Murat; Çukurovali, Alaaddin; Çalıs̨kan, Nezihe","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","Acta Crystallographica Section C","2004","60","7","o509","o510","10.1107/S0108270104012302","","","0.71073","MoKα","","0.0724","0.0412","","","0.0908","0.0983","","","","","","0.828","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014146","20.031","0.0004","10.2199","0.0002","20.0399","0.0003","90","","96.303","0.002","90","","4077.67","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-2,2'-dithiolato-κ^2^S:S'bis[(triphenylphosphine-κP)gold(I)]","","- C48 H38 Au2 P2 S2 -","- C48 H38 Au2 P2 S2 -","- C192 H152 Au8 P8 S8 -","4","1","FR1487","Scott A. Larkin; Jeanette A. Krause Bauer; V. E. Konoplev; Victor P. Dyadchenko; Dmitrii A. Lemenovskii; Mitchell R. M. Bruce; Alice E. Bruce","μ-Biphenyl-2,2'-dithiolato-κ^2^<i>S</i>:<i>S</i>'-bis[(triphenylphosphine-κ<i>P</i>)gold(I)]","Acta Crystallographica Section C","2004","60","9","m440","m442","10.1107/S0108270104016099","","","0.71073","MoKα","","0.0708","0.0365","","","0.0621","0.071","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014147","10.385","0.006","18.024","0.004","14.229","0.005","90","","102.05","0.05","90","","2604.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[N,N-Bis(2-hydroxyimino-2-phenylethyl)amino]-2,3-dimethyl-2-phenyl- 2,3-dihydropyrazol-3-one monohydrate","","- C27 H29 N5 O4 -","- C27 H29 N5 O4 -","- C108 H116 N20 O16 -","4","1","FR1488","S̨engül, Abdurrahman; Karadayı, Nevzat","4-[<i>N</i>,<i>N</i>-Bis(2-hydroxyimino-2-phenylethyl)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one monohydrate","Acta Crystallographica Section C","2004","60","8","o539","o541","10.1107/S0108270104012314","","","0.71073","MoKα","","0.0928","0.0552","","","0.1326","0.1551","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014148","10.322","0.001","14.239","0.001","14.138","0.001","90","","110.254","0.004","90","","1949.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rel-(1R,4aR,9S,9aS,10R)-4a,9,9a,10-tetrahydro-9,10-diphenylspiro[9,10- epoxyanthracene-1(4H),2'-oxiran]-4‒one","","- C27 H20 O3 -","- C27 H20 O3 -","- C108 H80 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0611","0.0436","","","0.1092","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014149","8.434","0.001","13.586","0.001","17.597","0.002","90","","90.646","0.004","90","","2016.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rel-(1R,4aS,9R,9aS,10S)-4a,9,9a,10-tetrahydro-9,10-diphenyl- spiro[9,10-epoxyanthracene-1(4H),2'-oxetane]-4-one","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0584","0.041","","","0.1037","0.1123","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014150","10.1077","0.0005","20.0087","0.0011","14.302","0.0008","90","","99.483","0.001","90","","2852.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","fac-(CO)~3~((4,4'-dimethyl-2,2'-bpy)rhenium(I)Ph~3~tin(II)","fac-tricarbonyl-2κ^3^C-(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^N,N'-triphenyl- 1κ^3^C^1^-tin(II)rhenium(I)(Sn—Re)","","- C33 H27 N2 O3 Re Sn -","- C33 H27 N2 O3 Re Sn -","- C132 H108 N8 O12 Re4 Sn4 -","4","1","FR1491","Gibson, Dorothy H.; Mashuta, Mark S.; Yin, Xiao-Long","<i>fac</i>-Tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)triphenyltin(II)rhenium(I)","Acta Crystallographica Section C","2004","60","8","m366","m367","10.1107/S0108270104013836","","","0.71073","MoKα","","0.0162","0.015","","","0.0385","0.0388","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014151","8.841","0.002","7.746","0.001","16.326","0.003","90","","98.092","0.002","90","","1106.9","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Bis(acetoxy)curcumin","4-[7-(4-Acetoxy-3-methoxyphenyl)-5-hydroxy-3-oxohepta-1,4,6-trienyl]-2- methoxyphenyl acetate","","- C25 H24 O8 -","- C25 H24 O8 -","- C50 H48 O16 -","2","1","FR1497","Mague, Joel T.; Alworth, William L.; Payton, Florastina L.","Curcumin and derivatives","Acta Crystallographica Section C","2004","60","8","o608","o610","10.1107/S0108270104015434","","","0.71073","MoKα","","0.0614","0.0461","","","0.1068","0.1131","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014152","8.897","0.003","9.003","0.003","14.577","0.005","90","","90","","90","","1167.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-bromomethyl-3-ethyl-1,4-dioxo-tetrahydro-pyrrolo[2,1-c][1,4]oxazine","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","GA1049","Yun-Yan, Kuang; Ming, Huo; Fen-Er, Chen","3-Bromomethyl-3-ethyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazine-1,4-dione","Acta Crystallographica Section C","2004","60","7","o505","o506","10.1107/S010827010401131X","","","0.71073","MoKα","","0.0387","0.0297","","","0.0659","0.0692","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014153","8.198","0.002","9.303","0.002","22.644","0.005","90","","90","","90","","1727","0.7","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Amino-3-methoxypyrimidino[5',4':16,17]oestra-1,3,5(10),16-tetraene","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","GA1051","Matsumoto, Tomohiro; Matsumoto, Taisuke; Watanabe, Masataka; Mataka, Shuntaro; Thiemann, Thies","2'-Amino-3-methoxypyrimidino[5',4':16,17]estra-1,3,5(10),16-tetraene","Acta Crystallographica Section C","2004","60","7","o501","o502","10.1107/S0108270104012326","","","0.7107","MoKα","","","0.041","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014154","8.929","0.002","10.022","0.003","19.651","0.009","90","","90","","90","","1758.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0473","0.0363","","","0.1074","0.1191","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014155","5.946","0.002","16.12","0.002","20.746","0.003","90","","90","","90","","1988.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0774","0.0401","","","0.1096","0.1358","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014156","7.862","0.0003","12.6448","0.0005","14.0134","0.0002","90","","97.755","0.002","90","","1380.38","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[diaqua(nicotinato-κ^2^O,O')cadmium(II)]-μ-nicotinato-κ^3^N:O,O']","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","GA1055","Jian Zhang; Zhao-Ji Li; Yi-Hang Wen; Yao Kang; Ye-Yan Qin; Yuan-Gen Yao","<i>catena</i>-Poly[[diaqua(nicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-nicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2004","60","8","m389","m391","10.1107/S0108270104010558","","","0.71073","MoKα","","","0.0385","","","0.0984","0.1175","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014157","8.764","0.0004","12.109","0.0006","17.044","0.0008","90","","101.846","0.001","90","","1770.24","0.15","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~- 5-hydroxyisophthalato-κ^4^O'O':O'':O'''] monohydrate]","","- C20 H14 N2 O6 Zn -","- C20 H14 N2 O6 Zn -","- C80 H56 N8 O24 Zn4 -","4","1","GA1056","Cao, Xin-Yi; Zhang, Jian; Kang, Yao; Cheng, Jian-Kai; Li, Zhao-Ji; Wang, Xiao-Qin; Wen, Yi-Hang; Yao, Yuan-Gen","Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] monohydrate]","Acta Crystallographica Section C","2004","60","7","m350","m352","10.1107/S010827010401056X","","","0.71073","MoKα","","0.0766","0.0551","","","0.1381","0.1556","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014158","26.126","0.009","9.337","0.005","23.649","0.009","90","","122.48","0.05","90","","4867","5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N,N'-bis(diphenylmethylene)ethylenediamine-κ^2^N,N']copper(I) dichlorocuprate(I)","","- C56 H48 Cl2 Cu2 N4 -","- C56 H48 Cl2 Cu2 N4 -","- C224 H192 Cl8 Cu8 N16 -","4","0.5","GA1057","Mirkhani, Valiollah; Harkema, Sybolt; Kia, Reza","Bis[<i>N</i>,<i>N</i>'-bis(diphenylmethylene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichlorocuprate(I)","Acta Crystallographica Section C","2004","60","7","m343","m344","10.1107/S0108270104012338","","","1.54184","CuKα","","","0.053","","","0.068","0.137","","","","","","1.55","","","","has coordinates,has Fobs","191976","2020-10-21","18:00:00",""
"2014159","7.1667","0.0001","15.1733","0.0002","11.8894","0.0002","90","","92.976","0.001","90","","1291.14","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","","- C4 H16 B10 S2 -","- C4 H16 B10 S2 -","- C16 H64 B40 S8 -","4","1","GA1059","Laromaine, Anna; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","1,2-Bis(methylsulfanyl)-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2004","60","7","o524","o526","10.1107/S0108270104013423","","","0.71073","Mokα","","0.0351","0.0321","","","0.0842","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014160","6.4331","0.001","10.715","0.0015","12.299","0.002","75.054","0.012","82.12","0.012","77.258","0.011","796","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N^1^-(4-tert-Butylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1432","0.0612","","","0.0938","0.1141","","","","","","0.951","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014161","6.8298","0.0005","15.5454","0.0015","26.097","0.002","90","","92.08","0.007","90","","2768.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(4-nitrophenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine hemihydrate","","- C14 H12 N3 O4.5 -","- C14 H12 N3 O4.5 -","- C112 H96 N24 O36 -","8","2","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1187","0.0364","","","0.0402","0.0465","","","","","","0.805","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014162","6.302","0.005","9.076","0.005","17.531","0.005","90","","90","","90","","1002.7","1","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yes̨ilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0371","0.0306","","","0.0825","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014163","7.761","0.005","22.288","0.005","10.684","0.005","90","","90","","90","","1848.1","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0806","0.0368","","","0.0823","0.0939","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014164","8.7932","0.0018","9.4508","0.0019","22.629","0.005","89.95","0.03","82.97","0.03","82.84","0.03","1851.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2':6',2''-terpyridine-κ^3^N)zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate N,N-dimethylformamide solvate","","- C33 H33 N7 O11 S2 Zn -","- C33 H33 N7 O11 S2 Zn -","- C66 H66 N14 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1816","0.0579","","","0.1201","0.1554","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014165","8.949","0.0018","9.782","0.002","43.031","0.009","90","","92.95","0.03","90","","3761.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^2^N^2^,N^4^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate","","- C36 H28 N12 O10 S2 Zn -","- C36 H28 N12 O10 S2 Zn -","- C144 H112 N48 O40 S8 Zn4 -","4","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1398","0.051","","","0.103","0.1195","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2014166","12.301","0.003","13.984","0.003","16.183","0.003","102.83","0.03","105.49","0.03","98.69","0.03","2549.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[2,6-bis(2-benzimidazolyl)pyridine-κ^2^N^2^,N^6^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) N,N-dimethylformamide trisolvate","","- C47 H47 N13 O11 S2 Zn -","- C47 H45 N13 O11 S2 Zn -","- C94 H90 N26 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1884","0.058","","","0.178","0.1976","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014167","38.507","0.0003","5.68","0.0003","14.2961","0.0008","90","","108.366","0.002","90","","2967.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzidine penta-molybdate, 2[(C~12~H~13~N~2~)^+^].(Mo~5~O~16~)^2-^","","- C24 H26 Mo5 N4 O16 -","- C24 H26 Mo5 N4 O16 -","- C96 H104 Mo20 N16 O64 -","4","0.5","GD1318","Shu-Fang Zhang; Yan-Qiong Sun; Guo-Yu Yang","Bis[benzidinium(1‒)] pentamolybdate","Acta Crystallographica Section C","2004","60","7","m299","m301","10.1107/S010827010401090X","","","0.71073","MoKα","","0.0203","0.0189","","","0.0476","0.0486","","","","","","0.898","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014168","7.9407","0.0006","8.9815","0.0007","10.9523","0.001","91.072","0.01","91.061","0.01","101.29","0.009","765.67","0.11","193","1","193","1","","","","","","","","6","P -1","-P 1","2","","diaquabis(ethylenediamine-κ^2^N,N')copper(II)hexacyanoiron(II) tetrahydrate","","- C14 H47.74 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","1","0.5","GD1319","Kuchár, Juraj; Černák, Juraj; Massa, Werner","Hydrate isomerism in [Cu(en)~2~(H~2~O)~1.935~]~2~[Fe(CN)~6~]·4H~2~O","Acta Crystallographica Section C","2004","60","8","m418","m420","10.1107/S0108270104014581","","","0.71069","MoKα","","0.0344","0.0286","","","0.0707","0.0729","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014169","12.2895","0.0016","20.015","0.003","13.4042","0.0018","90","","98.739","0.002","90","","3258.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dimethyl 10b'-(4-fluorostyryl)-8',9'-dimethoxy-4-nitro-5',6'-dihydro-spiro[9H- fluorene-9,1'(10b'H)-pyrrolo[2,1-a]isoquinoline]-2',3'-dicarboxylate","","- C38 H31 F N2 O8 -","- C38 H31 F N2 O8 -","- C152 H124 F4 N8 O32 -","4","1","GD1322","Li Feng; Zhi-Ming Li; Yong-Sheng Tan; Min-Qin Chen; Lin-Hong Weng; Feng-Gang Tao","A new photochromic tetrahydroindolizine","Acta Crystallographica Section C","2004","60","7","o473","o474","10.1107/S0108270104010583","","","0.71073","MoKα","","0.0671","0.0511","","","0.1306","0.1426","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014170","8.582","0.002","9.079","0.001","13.092","0.004","100.59","0.01","103.66","0.01","97.83","0.01","957","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aqua(suberato)(hydrogen suberato)lanthanum(III)","catena-Poly[[aqualanthanum(III)]-μ-(8-carboxyoctanoato)-μ-octanedioato]","","- C16 H27 La O9 -","- C16 H27 La O9 -","- C32 H54 La2 O18 -","2","1","GD1323","Belkacem Benmerad; Achoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","The first suberate lanthanum(III) complex without uncoordinated water","Acta Crystallographica Section C","2004","60","8","m407","m409","10.1107/S0108270104014751","","","0.71073","MoKα","","0.0263","0.0229","","","0.0593","0.0604","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014171","8.7922","0.0012","12.3094","0.0016","13.2806","0.0019","90","","90","","90","","1437.3","0.3","292","2","292","2","","","","","","","","5","I m m m","-I 2 2","71","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.125","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.0459","0.025","","","0.0642","0.0728","","","","","","1.61","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014172","8.7249","0.0012","12.238","0.003","13.062","0.002","90","","91.973","0.017","90","","1393.9","0.4","130","","230","0.2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.25","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.085","0.0289","","","0.0606","0.0751","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014173","7.3054","0.0004","22.7966","0.0011","10.5956","0.0008","90","","91.679","0.006","90","","1763.82","0.19","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-dichloro-5,5'-dipropoxybenzidine","","- C18 H22 Cl2 N2 O2 -","- C18 H22 Cl2 N2 O2 -","- C72 H88 Cl8 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.03","0.03","","0.039","","0.039","","","","","","2.56","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014174","7.1703","0.0003","23.0083","0.0009","10.8483","0.0006","90","","91.704","0.003","90","","1788.92","0.14","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-dimethyl-5,5'-dipropoxybenzidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.081","0.051","","0.058","","0.056","","","","","","1.43","","","","has coordinates,has Fobs","191977","2020-10-21","18:00:00",""
"2014175","9.5785","0.0015","9.5785","0.0015","9.713","0.002","90","","90","","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Bis[1,3-bis(2-methyltetrazol-5-yl-κ^2^N^4^)triazenido-κN^2^]nickel(II)","","- C8 H12 N22 Ni -","- C8 H12 N22 Ni -","- C16 H24 N44 Ni2 -","2","0.25","GD1336","Lyakhov, Alexander S.; Gaponik, Pavel N.; Pytleva, Darya S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis[1,3-bis(2-methyltetrazol-5-yl-κ<i>N</i>^4^)triazenido-κ<i>N</i>^2^]nickel(II)","Acta Crystallographica Section C","2004","60","9","m421","m422","10.1107/S0108270104016087","","","0.71073","MoKα","","0.0438","0.0394","","","0.1139","0.1205","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014176","14.49","0.003","4.147","0.0008","16.848","0.003","90","","90","","90","","1012.4","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-chloro-3,6-dimethoxy-2,5-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C40 H52 Cl4 O8 -","4","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.0979","0.0633","","","0.1417","0.1627","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014177","6.074","0.0012","9.125","0.0018","9.445","0.0019","90","","103.11","0.03","90","","509.85","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C20 H26 Cl2 O4 -","2","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.103","0.0514","","","0.1342","0.155","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014178","10.6052","0.0006","8.3553","0.0006","13.0588","0.001","90","","94.167","0.006","90","","1154.08","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4-(4-Fluorophenyl)1-[2-hydroxy-2-(3-methyl-1-benzofuran-2- yl)ethyl]piperazinium chloride propan-1-ol solvate","","- C24 H32 Cl F N2 O3 -","- C24 H32 Cl F N2 O3 -","- C48 H64 Cl2 F2 N4 O6 -","2","1","GG1217","Kurfürst, Pavel; Marek, Jaromír; Vančo, Ján; Csöllei, Jozef","(<i>R</i>)-4-(4-Fluorophenyl)-1-[2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]piperazinium chloride propan-1-ol solvate","Acta Crystallographica Section C","2004","60","7","o494","o495","10.1107/S0108270104011369","","","0.71073","MoKα","","0.0259","0.0247","","","0.0655","0.0662","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014179","6.1514","0.0002","10.3171","0.0005","15.7351","0.0008","71.722","0.002","85.78","0.003","85.306","0.003","943.84","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-tert-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8- tetrahydroimidazo[3,4-b]quinolin-5-one","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.1123","0.0592","","","0.1367","0.16","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014180","7.7988","0.0003","17.095","0.0006","12.0231","0.0003","90","","108.8","0.0018","90","","1517.41","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,8,8-Trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-a]quinolin-6-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.0804","0.0511","","","0.1201","0.1342","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014181","8.447","0.002","13.051","0.002","13.218","0.002","102.11","0.02","91.61","0.02","96.81","0.02","1412.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","manganium phthalocyanine","Iodo[phthalocyaninato(2-)]manganese(III) hemi(diiodine)","","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","1","0.5","GG1221","Janczak, Jan","Iodo[phthalocyaninato(2‒)]manganese(III) bridged by a neutral I~2~ molecule","Acta Crystallographica Section C","2004","60","7","m330","m332","10.1107/S0108270104012387","","","0.71073","MoKα","","0.0922","0.0564","","","0.0688","0.0792","","","","","","1.003","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014182","4.4395","0.0007","7.4724","0.0007","17.972","0.003","90","","91.304","0.013","90","","596.04","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C24 H24 N12 -","2","0.5","HJ1007","Şengül, Abdurrahman; Karadayı, Nevzat; Büyükgüngör, Orhan","<i>N</i>,<i>N</i>'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","Acta Crystallographica Section C","2004","60","7","o507","o508","10.1107/S010827010401220X","","","0.71073","MoKα","","0.0523","0.0385","","","0.1066","0.1116","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014183","11.3624","0.0003","35.224","0.001","13.718","0.0004","90","","96.991","0.002","90","","5449.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t-butyl-Calix[4]arene-diacid","(5,11,17,23-Tetra-tert-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid N,N-dimethylformamide trisolvate","","- C57 H81 N3 O11 -","- C57 H81 N3 O11 -","- C228 H324 N12 O44 -","4","1","HJ1009","Schlientz, Leah M.; Hagen, Karl S.","(5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid <i>N</i>,<i>N</i>-dimethylformamide trisolvate","Acta Crystallographica Section C","2004","60","7","o533","o535","10.1107/S010827010401323X","","","1.54178","CuKα","","0.0606","0.0435","","","0.1195","0.1269","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014184","6.8229","0.0005","8.9565","0.0011","20.31","0.006","90","","90","","90","","1241.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C44 H48 N24 O16 -","4","1","HJ1011","Lin, Wenqing; Seela, Frank; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno derivative of 7-deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2004","60","8","o566","o568","10.1107/S010827010401409X","","","0.71073","MoKα","","0.0597","0.0435","","","0.1037","0.1141","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014185","8.3619","0.0015","9.4973","0.0018","12.349","0.002","83.167","0.003","76.646","0.004","66.027","0.003","871.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')mercury(II)","","- C18 H18 Hg N2 O4 -","- C18 H6 Hg N2 O4 -","- C36 H12 Hg2 N4 O8 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.1106","0.0501","","","0.0729","0.0842","","","","","","0.807","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014186","13.738","0.003","14.076","0.003","20.615","0.004","93.11","0.03","90.85","0.03","118.93","0.03","3480","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tris[bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N')mercury(II)] hexadecahydrate","","- C54 H86 Hg3 N6 O28 -","- C54 H18 Hg3 N6 O28 -","- C108 H36 Hg6 N12 O56 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.0825","0.0446","","","0.1011","0.1144","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014187","13.1572","0.0019","13.1572","0.0019","7.7434","0.0015","90","","90","","120","","1160.9","0.3","293","2","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 O6 Rb3 -","- B3 O6 Rb3 -","- B18 O36 Rb18 -","6","0.166667","IZ1042","Sabine Schmid; Wolfgang Schnick","Rubidium metaborate, Rb~3~B~3~O~6~","Acta Crystallographica Section C","2004","60","7","i69","i70","10.1107/S0108270104010066","","","0.71073","MoKα","","","0.0194","","","","0.0462","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014188","14.6525","0.0013","14.6357","0.0008","6.1793","0.0005","90","","93.801","0.01","90","","1322.23","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2, 2, 6, 6-Tetramethylpiperidin-1-yloxy)propane-1,3-diol","","- C12 H25 N O3 -","- C12 H25 N O3 -","- C48 H100 N4 O12 -","4","1","JZ1616","Schmittel, Michael; Lal, Mukul; Schlosser, Marc; Deiseroth, Hans-Jörg","A supramolecular ladder motif in 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propane-1,3-diol","Acta Crystallographica Section C","2004","60","8","o589","o591","10.1107/S0108270104014647","","","0.71073","MoKα","","0.0663","0.0364","","","0.0846","0.093","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014189","7.264","0.002","11.669","0.004","12.745","0.003","95.91","0.02","104.37","0.02","92.93","0.03","1037.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis(cis-4-phenyltetrazole-κN^1^)copper(II)]-di-μ-chloro] 1-phenyltetrazole hemisolvate]","","- C17.5 H15 Cl2 Cu N10 -","- C17.5 H15 Cl2 Cu N10 -","- C35 H30 Cl4 Cu2 N20 -","2","1","JZ1625","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Degtyarik, Mikhail M.; Gaponik, Pavel N.","<i>catena</i>-Poly[[[<i>cis</i>-bis(1-phenyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro] hemi(1-phenyltetrazole)]","Acta Crystallographica Section C","2004","60","8","m368","m370","10.1107/S0108270104014428","","","0.71073","MoKα","","0.041","0.0372","","","0.1069","0.111","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014190","10.01","0.002","11.9","0.002","11.92","0.002","76.51","0.03","70.23","0.03","78.13","0.03","1286.8","0.5","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Fe3 O2 P -","- C30 H29 Fe3 O2 P -","- C60 H58 Fe6 O4 P2 -","2","1","JZ1629","Muller, Alfred; Steyl, Gideon; Roodt, Andreas","Triferrocenylphosphine oxide monohydrate","Acta Crystallographica Section C","2004","60","8","m386","m388","10.1107/S0108270104014908","","","0.71073","MoKα","","","0.0283","","","","0.0728","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014191","9.0937","0.0011","5.6809","0.0006","10.383","0.0011","90","","90","","90","","536.39","0.1","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","4-(Trimethylammonio)phenyl-4-thiosulfate","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C18 H26 N2 O6 S4 -","2","0.5","JZ1631","Chen, Jin-Xiang; Xu, Qing-Feng; Zhang, Yong; Zain, Sharifuddin M.; Ng, Seik Weng; Lang, Jian-Ping","<i>S</i>-[4-(Trimethylammonio)phenyl]thiosulfate, an aromatic organic thiosulfate","Acta Crystallographica Section C","2004","60","8","o572","o574","10.1107/S010827010401443X","","","0.7107","MoKα","","0.0241","0.0234","","","0.0593","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014192","6.9636","0.0016","14.819","0.003","10.256","0.002","90","","96.702","0.005","90","","1051.1","0.4","193.15","0.02","193.15","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[diazidomanganese(II)]-di-μ-1,2-bis(imidazol-1-yl)ethane]","","- C16 H20 Mn N14 -","- C16 H20 Mn N14 -","- C32 H40 Mn2 N28 -","2","0.5","JZ1634","Li, Bao-Long; Zhu, Xia; Zhou, Jun-Hui; Zhang, Yong","A novel two-dimensional Mn^II^ coordination polymer with 1,2-bis(imidazol-1-yl)ethane","Acta Crystallographica Section C","2004","60","8","m373","m374","10.1107/S0108270104014453","","","0.71073","MoKα","","0.0436","0.0395","","","0.0851","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014193","7.3485","0.0004","10.2458","0.0006","10.5738","0.0006","67.725","0.001","74.742","0.001","70.468","0.001","685.76","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)diiodoplatinum(II)","trans-diiodobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0151","0.0151","","","0.0373","0.0373","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014194","8.6641","0.0011","8.8178","0.0011","9.7472","0.0012","104.609","0.002","112.263","0.002","98.663","0.002","641.18","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)dibromoplatinum(II)","trans-dibromobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0248","0.0239","","","0.0598","0.0603","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014195","16.069","0.002","16.069","0.002","11.836","0.004","90","","90","","90","","3056.2","1.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-kN^4^)copper(II)]","","- C12 H24 Cl6 Cu4 N16 O -","- C12 H24 Cl6 Cu4 N16 O -","- C48 H96 Cl24 Cu16 N64 O4 -","4","0.25","JZ1637","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]","Acta Crystallographica Section C","2004","60","8","m399","m401","10.1107/S0108270104014921","","","0.71073","MoKα","","0.0403","0.0337","","","0.0879","0.0925","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014196","9.894","0.002","9.887","0.002","20.016","0.004","90","","90.909","0.004","90","","1957.8","0.7","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')zinc(II) thiosulfate","","- C16 H24 N2 O7 S2 Zn -","- C16 H24 N2 O7 S2 Zn -","- C64 H96 N8 O28 S8 Zn4 -","4","1","JZ1648","M. Enriqueta Díaz de Vivar; Sergio Baggio; Andrés Ibañez; Ricardo Baggio","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) thiosulfate","Acta Crystallographica Section C","2004","60","9","m451","m453","10.1107/S0108270104018219","","","0.71073","MoKα","","0.1258","0.0531","","","0.1306","0.1407","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014197","18.737","0.003","3.727","0.001","16.617","0.002","90","","114.57","0.02","90","","1055.3","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C3 H3 N3 O2 S -","- C3 H3 N3 O2 S -","- C24 H24 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0536","0.0326","","","0.079","0.093","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014198","8.667","0.002","11.473","0.002","12.919","0.003","90","","96.8","0.03","90","","1275.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C32 H40 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0615","0.029","","","0.0727","0.0955","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014199","9.871","0.002","13.119","0.003","13.438","0.003","88.421","0.003","84.029","0.002","84.05","0.003","1721.2","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamagnesium(II) (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4- chlorophenolato)bis[diaquamagnesium(II)] decahydrate","","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","1","0.5","NA1658","Gao, Fei; Meng, Bian-Hong; Wei, Yi-Bin","Hemi[hexaaquamagnesium(II)] (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato)bis[diaquamagnesium(II)] decahydrate","Acta Crystallographica Section C","2004","60","7","m360","m362","10.1107/S0108270104012867","","","0.71073","MoKα","","0.0608","0.0495","","","0.1303","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014200","8.806","0.0018","12.097","0.002","14.809","0.003","90","","105.88","0.03","90","","1517.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzoyl-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C17 H14 N4 O S -","- C17 H14 N4 O S -","- C68 H56 N16 O4 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.0634","0.0404","","","0.0956","0.103","","","","","","1.093","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014201","9.806","0.002","11.677","0.002","16.002","0.005","90","","112.55","0.02","90","","1692.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C72 H64 N16 O8 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.1268","0.078","","","0.2146","0.2401","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014202","8.6797","0.0017","8.7749","0.0018","10.057","0.002","96.09","0.03","100.55","0.03","100.89","0.03","731.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-dihydrogen phosphato-κO:O')bis[(bipyridine-κ^2^N,N')(dihydrogen phosphato-κO)cobalt(II)]","","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","1","0.5","NA1662","Jian, Fang-Fang; Tong, Yu-Ping; Xiao, Hai-Lian; Sun, Ping-Ping; Zhao, Pu-Su","A dinuclear Co^II^ complex: bis(μ-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(dihydrogen phosphato-κ<i>O</i>)cobalt(II)]","Acta Crystallographica Section C","2004","60","7","m348","m349","10.1107/S0108270104013022","","","0.71073","MoKα","","0.0492","0.04","","","0.0869","0.091","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014203","9.98","0.002","11.853","0.003","14.575","0.004","90","","94.147","0.004","90","","1719.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1051","0.0615","","","0.1394","0.1613","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2014204","26.761","0.005","10.9424","0.0019","8.5818","0.0015","90","","95.068","0.003","90","","2503.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","","- C31 H29 N O3 -","- C31 H29 N O3 -","- C124 H116 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1716","0.0796","","","0.1325","0.1611","","","","","","1.054","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014205","9.928","0.0008","19.9509","0.0017","9.5841","0.0014","90","","107.875","0.009","90","","1806.7","0.4","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Benzoylamino-3-bromo-4-(4-methoxy-phenyl)-4,5-dihydro-isoxazole- 5-carboxylic acid","","- C18 H15 Br N2 O5 -","- C18 H15 Br N2 O5 -","- C72 H60 Br4 N8 O20 -","4","1","NA1666","Bruno, Giuseppe; Rotondo, Archimede; Grassi, Giovanni; Foti, Francesco; Risitano, Francesco; Nicoló, Francesco","5-Benzoylamino-3-bromo-4-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid","Acta Crystallographica Section C","2004","60","7","o496","o497","10.1107/S010827010401265X","","","0.71073","MoKα","","","0.0587","","","","0.1492","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014206","12.8717","0.0017","11.5173","0.0012","12.6441","0.0013","90","","120.507","0.012","90","","1615","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dichloro(norbornadiene)platinum(II)","(bicyclo[2.2.1]hepta-2,5-diene)dichloroplatinum(II)","","- C7 H8 Cl2 Pt -","- C7 H8 Cl2 Pt -","- C56 H64 Cl16 Pt8 -","8","1","NA1667","Butikofer, Jeffrey L.; Kalberer, Eric W.; Schuster, William C.; Roddick, Dean M.","Dichloro(norbornadiene)platinum(II): a comparison with dichloro(cyclooctadiene)platinum(II)","Acta Crystallographica Section C","2004","60","7","m353","m354","10.1107/S0108270104012491","","","0.71073","MoKα","","0.0441","0.0352","","","0.0849","0.09","","","","","","1.056","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014207","13.2826","0.0005","8.7162","0.0003","12.7914","0.0004","90","","111.483","0.0017","90","","1378.03","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-Benzo[b]thiophen-3-ylmethylene-N-(2,5-dichloro-phenyl)hydrazine","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","1","NA1668","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-<i>N</i>-[(Benzo[<i>b</i>]thiophen-3-yl)methylene]-<i>N</i>'-(2,5-dichlorophenyl)hydrazine","Acta Crystallographica Section C","2004","60","8","o550","o551","10.1107/S0108270104013873","","","0.71073","MoKα","","0.1015","0.0503","","","0.1043","0.1206","","","","","","1.421","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014208","17.3805","0.0003","14.8094","0.0002","11.0596","0.0002","90","","90.7798","0.0006","90","","2846.42","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1H-pyrazole","","- C16 H12 Cl2 N2 -","- C16 H12 Cl2 N2 -","- C128 H96 Cl16 N16 -","8","2","NA1669","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2004","60","8","o547","o549","10.1107/S0108270104013848","","","0.71073","MoKα","","0.0547","0.0351","","","0.082","0.0889","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014209","19.4758","0.0009","12.2344","0.0006","22.1493","0.001","90","","100.38","0.005","90","","5191.2","0.4","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C248 H216 N8 O32 S8 -","8","2","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0367","","","","0.0918","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014210","11.3371","0.0008","12.7769","0.0009","29.1481","0.0018","90","","90","","90","","4222.2","0.5","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine","","- C23 H27 Cl2 N S -","- C23 H27 Cl2 N S -","- C184 H216 Cl16 N8 S8 -","8","1","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0326","","","","0.0802","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014211","11.7497","0.0002","14.054","0.0003","17.9014","0.0004","70.154","0.001","78.165","0.001","81.29","0.001","2710.63","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N-bis(13-ethyl-5,7,7- trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) diaqua-1,3κ^2^O-di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N- bis(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) bis[tetracyanonickelate(II)] octahydrate","","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","1","0.5","NA1674","Neil F. Curtis; Horst Puschman","A compound of a novel tetraaza-macrocycle with trinuclear tetracyanonickelate-bridged cations","Acta Crystallographica Section C","2004","60","8","m410","m413","10.1107/S0108270104015483","","","0.71073","MoKα","","0.1007","0.0628","","","0.1432","0.1622","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014212","9.045","0.002","11.647","0.003","12.225","0.002","103.663","0.017","107.458","0.019","109.78","0.02","1071.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N5 O2 P3 -","- C14 H14 Cl4 N5 O2 P3 -","- C28 H28 Cl8 N10 O4 P6 -","2","1","OB1177","Çaylak, Nagihan; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(ethylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","7","o461","o463","10.1107/S0108270104010169","","","0.71073","MoKα","","0.0937","0.056","","","0.1514","0.1724","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014213","8.4789","0.0017","9.5233","0.0011","10.3607","0.0017","108.811","0.009","92.172","0.013","105.561","0.013","755.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","","- C8 H15 Al N4 O8 P2 -","- C8 H15 Al N4 O8 P2 -","- C16 H30 Al2 N8 O16 P4 -","2","1","OB1178","Junya Takashima; Kazumasa Sugiyama; Tokuhei Tagai; Osamu Terasaki; Jihong Yu","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","Acta Crystallographica Section C","2004","60","7","m333","m334","10.1107/S0108270104011990","","","0.71069","MoKα","","0.0844","0.0518","","","0.1149","0.1298","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014214","10.577","0.002","8.112","0.002","19.661","0.004","90","","105.6","0.03","90","","1624.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[diaquabis(2-chloronicotinato)cadmium(II)]","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C48 H40 Cd4 Cl8 N8 O24 -","4","1","OB1179","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng; Sun, Zhi-Zhong; Gao, Jin-Sheng","<i>catena</i>-Poly[[diaquabis(2-chloronicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-2-chloronicotinato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]","Acta Crystallographica Section C","2004","60","8","m363","m365","10.1107/S0108270104013435","","","0.71073","MoKα","","0.033","0.03","","","0.076","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014215","13.606","0.008","16.379","0.009","14.289","0.009","90","","104.118","0.007","90","","3088","3","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Mn2 N6 O8 -","- C32 H28 Mn2 N6 O8 -","- C128 H112 Mn8 N24 O32 -","4","0.5","OB1180","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Konaka, Hisashi; Maekawa, Masahiko; Munakata, Megumu","Bis(μ-6-hydroxypicolinato)-μ-oxo-bis[dipyridinemanganese(III)] monohydrate","Acta Crystallographica Section C","2004","60","7","m338","m340","10.1107/S0108270104012624","","","0.7107","MoKα","","","0.0495","","","","0.1091","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014216","8.9834","0.0001","9.511","0.0002","11.9857","0.0002","82.131","0.002","87.598","0.001","81.992","0.002","1004.26","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","","- C13 H12 Cl4 N5 O P3 -","- C13 H12 Cl4 N5 O P3 -","- C26 H24 Cl8 N10 O2 P6 -","2","1","OB1184","Tercan, Barış; Hökelek, Tuncer; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","Acta Crystallographica Section C","2004","60","9","o639","o641","10.1107/S0108270104016518","","","1.54184","CuKα","","0.0787","0.0631","","","0.152","0.1659","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014217","16.392","0.003","16.392","0.003","22.784","0.006","90","","90","","90","","6122","2","296.2","","","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C96 H320 Br32 Ir16 N48 O16 S48 -","8","0.5","OB1185","Mitsuharu Fujita; Yoshitaro Miyashita; Nagina Amir; Yasunori Yamada; Kiyoshi Fujisawa; Ken-ichi Okamoto","Bis(μ-cystamine-κ^4^<i>N</i>,<i>S</i>:<i>S</i>',<i>N</i>')bis[(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)iridium(III)] tetrabromide dihydrate","Acta Crystallographica Section C","2004","60","9","m435","m436","10.1107/S0108270104016816","","","0.7107","MoKα","","","0.0465","","","","0.117","","","","","","1.012","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2014218","6.8414","0.0006","10.7408","0.0009","10.7597","0.0009","64.042","0.002","77.298","0.002","72.81","0.002","675.34","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-6-(ethoxycarbonyl)pyridine-2-carboxylato]- 1:2κ^4^O^6^,N,O^2^:O^2^;1:2κ^4^O^2^:O^2^,N,O^6^-bis[diaquachlorocadmium(II)] dihydrate","","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","1","0.5","OB1187","Yang, E.; Li, Zhao-Ji; Zhang, Jian; Chen, Yu-Biao; Yao, Yuan-Gen","Bis(μ-ethyl pyridine-2,6-dicarboxylato)bis[diaquachlorocadmium(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m457","m459","10.1107/S0108270104017378","","","0.71073","MoKα","","","0.0327","","","0.0838","0.0892","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014219","8.8356","0.0007","5.752","0.0005","30.803","0.002","90","","95.821","0.006","90","","1557.4","0.2","250","","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","OB1188","Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Çukurovalı, Alaaddin; Büyükgüngör, Orhan","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","Acta Crystallographica Section C","2004","60","9","o674","o676","10.1107/S0108270104018074","","","0.71073","MoKα","","0.0649","0.0571","","","0.1396","0.1458","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014220","9.0221","0.0014","9.1427","0.0014","11.9077","0.0018","85.111","0.002","68.812","0.002","78.911","0.002","898.6","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","1-(n-hexyl)-3-methyl-4-(1-phenylaminopropylidene)-2-pyrazolin-5-one","","- C19 H27 N3 O -","- C19 H27 N3 O -","- C38 H54 N6 O2 -","2","1","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0773","0.0488","","","0.133","0.1584","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014221","8.0168","0.0013","9.5029","0.0015","10.7032","0.0017","71.357","0.002","86.811","0.002","85.112","0.003","769.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis{1-[1-(n-hexyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]ethyl}hexane- 1,6-diamine","","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","1","0.5","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0932","0.0481","","","0.1174","0.1518","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014222","20.661","0.009","9.795","0.004","17.249","0.007","90","","99.182","0.012","90","","3446","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-[(4-Chlorobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br Cl N2 O2.5 -","- C15 H19 Br Cl N2 O2.5 -","- C120 H152 Br8 Cl8 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0747","0.0404","","","0.0924","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014223","20.403","0.006","10.022","0.003","17.386","0.004","90","","100.182","0.008","90","","3499.1","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-Bromobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br2 N2 O2.5 -","- C15 H19 Br2 N2 O2.5 -","- C120 H152 Br16 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0673","0.0383","","","0.0969","0.1108","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014224","6.905","0.003","13.116","0.005","18.969","0.011","90","","90","","90","","1717.9","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","p-nitrophenyl sufate potassium salt","potassium p-nitrophenyl sulfate","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","SK1726","Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz","Potassium <i>p</i>-nitrophenyl sulfate","Acta Crystallographica Section C","2004","60","7","m327","m329","10.1107/S0108270104010984","","","0.71073","MoKα","","0.0696","0.0364","","","0.0772","0.0848","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014225","5.7056","0.0004","5.7056","0.0004","8.1002","0.0009","90","","90","","90","","263.69","0.04","293","","293","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014226","5.6938","0.0004","5.6938","0.0004","8.0974","0.0008","90","","90","","90","","262.51","0.04","1.5","","1.5","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.57","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014227","6.1997","0.0006","10.6324","0.0012","15.8948","0.0014","90","","97.145","0.007","90","","1039.61","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6β-Azido-7α-hydroxy-17-oxo-5α-androst-3β-yl acetate","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C42 H62 N6 O8 -","2","1","SK1730","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","6β-Azido-7α-hydroxy-17-oxo-5α-androstan-3β-yl acetate","Acta Crystallographica Section C","2004","60","9","o630","o632","10.1107/S0108270104011989","","","0.71073","MoKα","","0.0699","0.0474","","","0.1335","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014228","10.7937","0.0004","11.3989","0.0002","14.2448","0.0005","79.993","0.002","83.349","0.0014","89.852","0.002","1714.07","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","rac-3-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-phenyl-thiazolidin-4-one","","- C19 H18 N4 O S -","- C19 H18 N4 O S -","- C76 H72 N16 O4 S4 -","4","2","SK1731","Low, John N.; Cobo, Justo; Insuasty, Braulio; Orozco, Fabián; Glidewell, Christopher","<i>rac</i>-3-(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenylthiazolidin-4-one: sheets built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o486","o488","10.1107/S0108270104011540","","","0.71073","MoKα","","0.0918","0.065","","","0.1655","0.1836","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014229","8.963","0.001","16.303","0.001","16.673","0.001","90","","104.784","0.007","90","","2355.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","","- C29 H23 O3 P -","- C29 H23 O3 P -","- C116 H92 O12 P4 -","4","1","SK1732","Khalid A. Al-Farhan","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","Acta Crystallographica Section C","2004","60","7","o531","o532","10.1107/S010827010401279X","","","0.71073","MoKα","","0.066","0.0412","","","0.0978","0.1111","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014230","21.819","0.0005","8.4596","0.0002","23.1792","0.0005","90","","94.514","0.0014","90","","4265.15","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","S-Ethyl N-benzoyldithiocarbamate","","- C10 H11 N O S2 -","- C10 H11 N O S2 -","- C160 H176 N16 O16 S32 -","16","2","SK1733","Low, John N.; Cobo, Justo; Insuasty, Henry; Estrada, Martin; Cortés, Edward; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-benzoyldithiocarbamate: two independent hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(8) dimers of different symmetry linked into chains by a C—H···π(arene) interaction","Acta Crystallographica Section C","2004","60","7","o483","o485","10.1107/S0108270104012090","","","0.71073","MoKα","","0.0632","0.0374","","","0.0803","0.0886","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014231","9.1392","0.0004","11.8931","0.0003","13.6025","0.0005","105.725","0.002","92.472","0.002","101.934","0.002","1384.67","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","{2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine monohydrate","","- C34 H32 O2.68 P2 -","- C34 H32 O2.678 P2 -","- C68 H64 O5.356 P4 -","2","1","SK1734","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Partially oxidized {2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine as a monohydrate","Acta Crystallographica Section C","2004","60","7","o475","o478","10.1107/S0108270104012211","","","0.71073","MoKα","","0.0824","0.0544","","","0.1144","0.1433","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014232","7.4467","0.0001","5.8383","0.0001","7.99","0.0001","90","","93.46","0.01","90","","346.741","0.009","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diacetato-palladat(II)","catena-poly[palladium(II)-di-μ-acetato-κ^4^O:O']","","- C4 H6 O4 Pd -","- C4 H6 O4 Pd -","- C8 H12 O8 Pd2 -","2","0.5","SK1735","Kirik, Sergei D.; Mulagaleev Ruslan F.; Blokhin Alexander I.","[Pd(CH~3~COO)~2~]~<i>n~</i> from X-ray powder diffraction data","Acta Crystallographica Section C","2004","60","9","m449","m450","10.1107/S0108270104016129","","","1.5418","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014233","3.7492","0.0013","6.9376","0.0014","23.099","0.008","90","","90.118","0.011","90","","600.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Fluorophenyl)-4-nitrophthalimide","","- C14 H7 F N2 O4 -","- C14 H7 F N2 O4 -","- C28 H14 F2 N4 O8 -","2","1","SK1736","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","<i>N</i>-(4-Fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets","Acta Crystallographica Section C","2004","60","7","o511","o513","10.1107/S0108270104013575","","","0.71073","MoKα","","0.1188","0.0701","","","0.1343","0.1539","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014234","5.898","0.0005","14.8324","0.0012","10.7092","0.0008","90","","101.974","0.004","90","","916.47","0.13","120","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-2-thiazoline","","- C3 H6 N2 S -","- C3 H6 N2 S -","- C24 H48 N16 S8 -","8","2","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.1293","0.0607","","","0.1328","0.1602","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014235","8.3669","0.0002","6.3707","0.0001","26.3457","0.0006","90","","92.1992","0.0009","90","","1403.27","0.05","120","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-2-thiazolium 2-naphthoxyacetate","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.0608","0.0458","","","0.112","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014236","10.6248","0.0008","8.6055","0.0005","13.0135","0.0009","90","","92.977","0.004","90","","1188.24","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate","","- C10 H16 N2 O2 S -","- C10 H16 N2 O2 S -","- C40 H64 N8 O8 S4 -","4","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0568","0.041","","","0.0986","0.1063","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014237","6.9195","0.0002","9.186","0.0002","9.6953","0.0003","69.5204","0.0017","71.4823","0.0016","74.277","0.0017","538.48","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-Methylimidazo[2,1-b]thiazole 2-amino-1,3-thiazole","","- C9 H10 N4 S2 -","- C9 H10 N4 S2 -","- C18 H20 N8 S4 -","2","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0449","0.0399","","","0.1013","0.105","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014238","7.707","0.0001","10.708","0.0002","12.308","0.0002","94.59","0.0007","104.117","0.0007","110.116","0.0007","909.86","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C22 H20 N2 O3 S -","- C22 H20 N2 O3 S -","- C44 H40 N4 O6 S2 -","2","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0384","0.0339","","","0.0866","0.0897","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014239","6.13","0.0001","12.95","0.0002","23.68","0.0004","90","","90","","90","","1879.8","0.05","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0464","0.0378","","","0.0899","0.094","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014240","21.137","0.004","9.1906","0.0016","32.459","0.006","90","","95.746","0.003","90","","6274","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[6- azacyclohepta[a]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","","- C38 H32 Br N O6 -","- C38 H32 Br N O6 -","- C304 H256 Br8 N8 O48 -","8","1","SK1741","Feng, Li; Li, Zhi-Ming; Chen, Zhen-Xia; Tan, Yong-Sheng; Weng, Lin-Hong; Tao, Feng-Gang","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[azepino[2,1-<i>a</i>]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","Acta Crystallographica Section C","2004","60","9","o680","o681","10.1107/S0108270104015860","","","0.71073","MoKα","","0.0946","0.0451","","","0.0799","0.0918","","","","","","0.834","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014241","9.2382","0.0008","10.3054","0.0008","10.3184","0.0009","62.72","0.004","83.098","0.004","70.531","0.005","822.54","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[h]pyrazolo[3,2-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C42 H32 Cl2 N6 -","2","1","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1399","0.065","","","0.1236","0.1525","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014242","7.0098","0.0003","15.0306","0.0007","17.006","0.0008","111.492","0.002","101.406","0.003","97.981","0.003","1589.81","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-5-methyl-6,7-dihydrobenzo[e]pyrazolo[2,3-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C84 H64 Cl4 N12 -","4","2","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1358","0.0605","","","0.1264","0.152","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014243","7.5373","0.0005","15.0354","0.0015","11.6624","0.0012","90","","106.811","0.005","90","","1265.2","0.2","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-1-phenylethanaminium rac-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0505","0.0454","","","0.1171","0.1209","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014244","6.4227","0.0005","13.5815","0.001","7.5439","0.0003","90","","108.665","0.004","90","","623.44","0.07","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0394","0.0358","","","0.091","0.0943","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014245","6.335","0.0002","13.7876","0.0006","7.5572","0.0002","90","","107.907","0.002","90","","628.1","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.036","0.0322","","","0.0753","0.0781","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014246","11.99","0.003","11.814","0.003","22.606","0.006","90","","90","","90","","3202.1","1.4","102","","102","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Hexamethylenetetramine‒rac-trans-1,2-cyclohexanedicarboxylic acid (1:1)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C112 H192 N32 O32 -","8","","SK1744","Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.","The 1:1 adduct of hexamethylenetetramine (HMT) with racemic <i>trans</i>-1,2-cyclohexanedicarboxylic acid (CDA)","Acta Crystallographica Section C","2004","60","9","o633","o635","10.1107/S0108270104015963","","","0.71073","MoKα","","0.053","0.041","","","0.092","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014247","23.3764","0.0008","37.1079","0.0012","7.7091","0.0002","90","","90","","90","","6687.3","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, orthorhombic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0419","0.0344","","","0.078","0.0823","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014248","15.6526","0.0003","13.6819","0.0003","9.6454","0.0002","90","","126.035","0.002","90","","1670.39","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, monoclinic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","0.5","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0584","0.0495","","","0.1175","0.1236","","","","","","1.173","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014249","3.6675","0.0002","13.938","0.001","28.796","0.002","90","","90","","90","","1471.98","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C56 H56 N24 O16 -","8","2","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.111","0.0524","","","0.0964","0.1129","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014250","3.7231","0.0002","10.22","0.0007","19.4119","0.0012","90","","90","","90","","738.62","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C28 H28 N12 O8 -","4","1","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.0455","0.0373","","","0.0881","0.092","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014251","6.2258","0.0015","13.66","0.003","8.656","0.002","90","","99.807","0.004","90","","725.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N':N,N'-bis(ethylene)dioxamate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","SK1752","Martínez-Martínez, Francisco J.; Rojas-Pérez, Rodrigo E.; García-Báez, Efrén V.; Höpfl, Herbert; Padilla-Martínez, Itzia I.","Diethyl piperazine-1,4-diyldioxalate","Acta Crystallographica Section C","2004","60","9","o699","o701","10.1107/S0108270104018682","","","0.71073","MoKα","","0.0541","0.0507","","","0.1153","0.1175","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014252","6.7451","0.0006","7.7744","0.0007","8.0605","0.0007","88.794","0.002","84.323","0.002","88.052","0.002","420.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[μ-dicyanamido-2':1κ^2^N^1^:N^5^-[[μ-N,N'-bis(3- aminopropyl)oxamidato-κ^6^N,N',O:N'',N''',O']dicopper(II)]-μ-dicyanamido- 2:1'κ^2^N^1^:N^5^]","","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","1","0.5","SQ1157","Zhang, Bing; Kou, Hui-Zhong; He, Yi; Wang, Hong-Gen; Cui, Ai-Li","[Cu(C~8~H~16~N~4~O~2~)~0.5~{N(CN)~2~}]~<i>n~</i>, a novel ladder-like coordination polymer","Acta Crystallographica Section C","2004","60","7","m341","m342","10.1107/S0108270104011011","","","0.71073","MoKα","","0.0434","0.037","","","0.0898","0.0924","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014253","4.0079","0.001","9.366","0.002","19.787","0.005","90","","90","","90","","742.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-chloroacetophenone","","- C8 H7 Cl O -","- C8 H7 Cl O -","- C32 H28 Cl4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.045","0.034","","","0.076","0.08","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014254","18.635","0.005","6.9554","0.0017","5.9035","0.0015","90","","96.36","0.01","90","","760.5","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-bromoacetophenone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.037","0.032","","","0.074","0.077","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014255","19.425","0.005","7.049","0.002","5.8769","0.0015","90","","94.41","0.01","90","","802.3","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","p-iodoacetophenone polymorph A","","- C8 H7 I O -","- C8 H7 I O -","- C32 H28 I4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.024","0.023","","","0.059","0.06","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014256","9.777","0.002","8.232","0.002","20.089","0.005","90","","90","","90","","1616.8","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-iodoacetophenone polymorph B","","- C8 H7 I O -","- C8 H7 I O -","- C64 H56 I8 O8 -","8","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.049","0.026","","","0.059","0.07","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014257","13.925","0.003","15.099","0.003","12.581","0.003","90","","114","0.03","90","","2416.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato- κ^3^O,O':O'']","","- C24 H20 N2 Ni O5 S2 -","- C24 H20 N2 Ni O5 S2 -","- C96 H80 N8 Ni4 O20 S8 -","4","1","SQ1161","Zhao, Wen-Na; Zou, Jian-Wei; Yu, Qing-Shen","A one-dimensional ladder-like coordination polymer derived from chains formed <i>via</i> hydrogen bonds: <i>catena</i>-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","9","m443","m444","10.1107/S0108270104017469","","","0.71073","MoKα","","0.0366","0.028","","","0.074","0.0824","","","","","","1.07","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014258","7.863","0.0016","8.596","0.0017","23.227","0.005","90","","96.64","0.03","90","","1559.4","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4H-pyran-3-carbonitrile","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.0776","0.0435","","","0.107","0.1228","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014259","8.315","0.0017","10.283","0.002","10.793","0.002","112.38","0.03","96.66","0.03","103.83","0.03","806.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1447","0.0549","","","0.1371","0.1718","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014260","8.494","0.0017","10.938","0.002","11.844","0.002","104.69","0.03","109.84","0.03","102.3","0.03","945.6","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","tert-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1246","0.0585","","","0.1533","0.1867","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014261","8.2542","0.0002","8.2542","0.0002","6.9963","0.0002","90","","90","","120","","412.809","0.018","120","2","120","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","triethylammonium chloride","Triethylammonium chloride","","- C6 H16 Cl N -","- C6 H16 Cl N -","- C12 H32 Cl2 N2 -","2","0.333333","SQ1163","Churakov, Andrei V.; Howard, Judith A. K.","Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i>","Acta Crystallographica Section C","2004","60","8","o557","o558","10.1107/S0108270104014209","","","0.71073","MoKα","","0.0194","0.0192","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014262","7.51","0.0003","10.0003","0.0004","22.0821","0.0006","84.307","0.001","88.084","0.001","71.02","","1560.51","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,4'-bipyridine-κN)bis(hydrogen phthlato)-κ^2^O,O';κO-zinc(II)","","- C36 H26 N4 O8 Zn -","- C36 H26 N4 O8 Zn -","- C72 H52 N8 O16 Zn2 -","2","1","SQ1166","Tang, En; Dai, Yu-Mei; Lin, Shen","Bis(4,4'-bipyridine-κ<i>N</i>)bis(hydrogen phthalato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)","Acta Crystallographica Section C","2004","60","9","m433","m434","10.1107/S0108270104017184","","","0.71073","MoKα","","","0.0629","","","0.1513","0.1772","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014263","6.0335","0.0001","9.4122","0.0002","18.7857","0.0004","81.175","0.001","89.271","0.001","80.703","0.002","1040.26","0.04","243","2","243","2","","","","","","","","3","P 1","P 1","1","","1-(11'-Phenylundecanoyl)-3-hydroxycyclohexane-2,6-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","2","SX1132","Castro, Ernesto; Cuca Suarez, Luis E.; Siengalewicz, Peter; Gutmann, Rene; Czermak, Georg; Brueggeller, Peter","3,6-Dihydroxy-2-(11-phenylundecanoyl)cyclohex-2-en-1-one from <i>Virola venosa</i> bark","Acta Crystallographica Section C","2004","60","7","o467","o469","10.1107/S0108270104010650","","","0.71073","MoKα","","0.0468","0.0387","","","0.1012","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014264","11.1447","0.0016","10.7602","0.0014","10.5103","0.0015","90","","106.775","0.002","90","","1206.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-(phenyldiazenyl)phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","SX1136","Soylu, Serkan; Kocaokutgen, Hasan; Gür, Mahmut; Lörnnecke, Peter","2,6-Dimethyl-4-(phenyldiazenyl)phenol","Acta Crystallographica Section C","2004","60","7","o498","o500","10.1107/S0108270104011308","","","0.71073","MoKα","","0.1003","0.0685","","","0.1531","0.1704","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014265","4.799","0.002","13.601","0.003","11.014","0.003","90","","100.49","0.03","90","","706.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Deaza-7-(propynyl)-2'-deoxyguanosine","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","SX1139","Seela, Frank; Shaikh, Khalil; Eickmeier, Henning","7-Deaza-2'-deoxy-7-propynylguanosine","Acta Crystallographica Section C","2004","60","7","o489","o491","10.1107/S0108270104011552","","","0.71073","MoKα","","0.1012","0.0629","","","0.1503","0.1721","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014266","5.383","0.004","6.315","0.004","15.588","0.01","90","","98.623","0.006","90","","523.9","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-valine","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","1","SX1142","Moen, Anders; Frøseth, Morten; Görbitz, Carl Henrik; Dalhus, Bjørn","A non-planar peptide bond in <small>L</small>-seryl-<small>L</small>-valine","Acta Crystallographica Section C","2004","60","8","o564","o565","10.1107/S0108270104014325","","","0.71073","MoKα","","0.0305","0.0293","","","0.0744","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014267","10.732","0.002","6.268","0.002","15.043","0.002","90","","101","0.01","90","","993.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N2 O6 -","- C22 H20 Co N2 O6 -","- C44 H40 Co2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0324","","","","0.0915","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014268","10.638","0.002","6.277","0.002","15.068","0.002","90","","101.15","0.01","90","","987.2","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O6 -","- C22 H20 N2 Ni O6 -","- C44 H40 N4 Ni2 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0345","","","","0.096","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014269","10.265","0.002","6.332","0.002","15.764","0.001","90","","96.879","0.009","90","","1017.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N2 O6 -","- C22 H20 Cu N2 O6 -","- C44 H40 Cu2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0318","","","","0.0939","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014270","16.9011","0.001","12.9824","0.0008","18.3248","0.0011","90","","90","","90","","4020.8","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C112 H184 Cl16 Fe8 N48 O16 P8 -","4","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.08","0.04","","0.049","","0.042","","","0.891","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014271","9.7792","0.0009","14.8534","0.001","13.3529","0.0017","90","","93.835","0.002","90","","1935.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl9 Fe3 N12 O2 -","- C26 H32 Cl9 Fe3 N12 O2 -","- C52 H64 Cl18 Fe6 N24 O4 -","2","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.056","0.037","","0.075","","0.067","","","0.993","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014272","9.8803","0.0008","16.329","0.001","12.246","0.001","90","","101.953","0.002","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(methanol-κO)[(methoxy)tris(1-methyl-1H-imidazol-2-yl)methane- κ^2^N^3^]iron(II)","","- C15 H22 Cl2 Fe N6 O2 -","- C15 H22 Cl2 Fe N6 O2 -","- C60 H88 Cl8 Fe4 N24 O8 -","4","1","TA1446","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Dichloro(methanol-κ<i>O</i>)[(methoxy)tris(1-methyl-1<i>H</i>-imidazol-2-yl)methane-κ^2^<i>N</i>^3^]iron(II) (<i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m314","m315","10.1107/S010827010401087X","","","0.71073","MoKα","","0.092","0.054","","0.152","","0.157","","","1.271","","","1.111","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014273","14.65","0.002","9.134","0.001","16.18","0.002","90","","102.078","0.003","90","","2117.2","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Fe N8 O2 -","- C18 H20 Cl2 Fe N8 O2 -","- C72 H80 Cl8 Fe4 N32 O8 -","4","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.066","0.044","","0.096","","0.082","","","1.047","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014274","8.358","0.003","9.215","0.003","10.65","0.004","93.175","0.005","108.871","0.004","113.923","0.004","692.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","1","0.5","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.091","0.067","","0.155","","0.146","","","0.958","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014275","21.3036","0.001","13.9936","0.0007","24.4634","0.001","90","","104.23","0.001","90","","7069.1","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl2 Fe N12 O8.5 -","- C27 H41 Cl2 Fe N12 O8.5 -","- C216 H328 Cl16 Fe8 N96 O68 -","8","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.095","0.062","","0.138","","0.13","","","1.384","","","1.22","","","","has coordinates,has Fobs","199470","2020-10-21","18:00:00",""
"2014276","8.428","0.001","10.284","0.002","17.669","0.003","90","","96.294","0.002","90","","1522.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.068","0.048","","0.178","","0.117","","","1.357","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014277","8.43","0.003","10.431","0.004","17.67","0.02","90","","95.54","0.06","90","","1546.5","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.114","0.056","","0.213","","0.145","","","1.585","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014278","29.194","0.002","7.2253","0.0005","18.2715","0.0013","90","","110.524","0.001","90","","3609.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Quinolinium 5-sulfosalicylate trihydrate","Quinolinium 3-carboxy-4-hydroxybenzenesulfonate trihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C128 H152 N8 O72 S8 -","8","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.0474","0.0418","","","0.1138","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014279","13.236","0.002","10.6515","0.0018","13.549","0.002","90","","119.135","0.003","90","","1668.5","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8-hydroxyquinolinium 5-sulfosalicylate monohydrate","8-hydroxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C16 H15 N O8 S -","- C16 H15 N O8 S -","- C64 H60 N4 O32 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.053","0.0413","","","0.1063","0.1105","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014280","6.9047","0.0009","9.2914","0.0012","14.5106","0.0019","73.24","0.002","84.138","0.003","79.889","0.002","876.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","8-aminoquinolinium 5-sulfosalicylate dihydrate","8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C16 H18 N2 O8 S -","- C16 H18 N2 O8 S -","- C32 H36 N4 O16 S2 -","2","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.0535","0.0405","","","0.0922","0.0976","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014281","8.3173","0.001","11.2674","0.0014","26.245","0.003","90","","94.284","0.002","90","","2452.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Quinolinium-2-carboxylic acid 5-sulfosalicylate: quinoline-2-carboxylic acid adduct","Quinolinium-2-carboxylic acid 3-carboxy-4-hydroxybenzenesulfonate 2-carboxylatoquinolinium","","- C27 H20 N2 O10 S -","- C27 H20 N2 O10 S -","- C108 H80 N8 O40 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.045","0.0381","","","0.0981","0.1023","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014282","9.967","0.004","9.973","0.003","14.13","0.005","96.412","0.006","110.196","0.006","95.1","0.006","1297.6","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","2","TA1451","Dachriyanus; Amri Bakhtiar; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.","<i>rac</i>-Eudesm-7(11)-en-4-ol","Acta Crystallographica Section C","2004","60","7","o503","o504","10.1107/S0108270104012922","","","0.71073","MoKα","","0.112","0.067","","0.168","","0.168","","","1.06","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014283","20.449","0.002","20.449","0.002","9.75","0.001","90","","90","","120","","3530.9","0.6","150","2","150","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.028","0.028","","0.055","","0.056","","","1.082","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014284","8.222","0.002","6.026","0.001","16.948","0.004","90","","93.283","0.003","90","","838.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.06","0.043","","0.093","","0.085","","","1.013","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014285","10.346","0.001","9.222","0.002","10.803","0.002","90","","90","","90","","1030.7","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.067","0.055","","0.121","","0.067","","","1.071","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014286","13.597","0.003","10.404","0.002","14.735","0.003","90","","90","","90","","2084.5","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(1-naphthyl)-9H-xanthen-9-ol‒dioxane (1/1) clathrate","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","TA1455","Jacobs, Ayesha A.; Nassimbeni, Luigi R.; Taljaard, Benjamin","Desorption kinetics of a xanthenol‒dioxane clathrate","Acta Crystallographica Section C","2004","60","9","o668","o670","10.1107/S0108270104017792","","","0.71073","MoKα","","0.0354","0.0302","","","0.0739","0.076","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014287","9.817","0.002","10.797","0.005","13.523","0.007","72.85","0.04","88.21","0.03","63.55","0.03","1217.8","1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Chloro(phenyl)(1H-pyrazole-κN^2^)(triphenylphosphine)palladium(II)","","- C27 H24 Cl N2 P Pd -","- C27 H24 Cl N2 P Pd -","- C54 H48 Cl2 N4 P2 Pd2 -","2","1","TA1458","Canty, Allan J.; Skelton, Brian W.; White, Allan, H.","Chloro(phenyl)(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","8","m405","m406","10.1107/S010827010401491X","","","0.71073","MoKα","","0.038","0.035","","0.101","","0.076","","","1.278","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014288","16.03","0.004","11.726","0.003","7.7024","0.0015","90","","100.298","0.017","90","","1424.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium orthanilate","8-hydroxyquinolinium 2-aminobenzenesulfonate","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0967","0.0456","","","0.1171","0.1631","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014289","15.857","0.004","17.667","0.007","6.977","0.004","90","","95.78","0.04","90","","1944.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate","","","- C18 H16 I N2 O6.5 S -","- C18 H16 I N2 O6.5 S -","- C72 H64 I4 N8 O26 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0686","0.0486","","","0.1373","0.1576","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014290","6.644","0.001","8.042","0.002","9.75","0.002","104.7","0.03","107.89","0.03","101.16","0.03","458.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","magnesium hydrogen arsenate","heptamagnesium bis(arsenate) tetrakis(hydrogenarsenate)","","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","1","0.5","TA1465","Kolitsch, Uwe; Bartu, Petr","Mg~7~(AsO~4~)~2~(HAsO~4~)~4~: a new magnesium arsenate with a very strong hydrogen bond","Acta Crystallographica Section C","2004","60","9","i94","i96","10.1107/S010827010401813X","","","0.71073","MoKα","","0.0297","0.0252","","","0.0598","0.0614","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014291","8.5404","0.0006","7.3459","0.0005","18.3735","0.0011","90","","103.045","0.002","90","","1122.95","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[μ-nicotinato-bis[dioxomolybdenum(VI)]-di-μ~3~-oxo] monohydrate","","- C6 H7 Mo2 N O9 -","- C6 H7 Mo2 N O9 -","- C24 H28 Mo8 N4 O36 -","4","1","TA1466","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[[μ-pyridinium-3-carboxylato-bis[dioxomolybdenum(VI)]]-di-μ~3~-oxo] monohydrate]","Acta Crystallographica Section C","2004","60","9","m437","m439","10.1107/S0108270104016944","","","0.71073","MoKα","","","0.0411","","","0.1054","0.1258","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014292","6.899","0.0009","6.9441","0.0006","9.6383","0.001","85.517","0.008","71.498","0.009","67.037","0.008","402.63","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-aqua-μ~6~oxalato-dibarium(II) diisothiocyanate diisothiocyanate","","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","1","0.5","TR1090","Peresypkina, Eugenia V.; Virovets, Alexander V.; Akhmerkina, Jeanne V.; Serezhkina, Larisa B.","{[Ba~2~(C~2~O~4~)(H~2~O)~6~](NCS)~2~}~<i>n~</i>: a layered mixed-anion barium oxalate","Acta Crystallographica Section C","2004","60","7","m355","m356","10.1107/S0108270104010339","","","0.71073","MoKα","","0.0461","0.0396","","","0.1253","0.1568","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014293","8.1968","0.0012","12.39","0.002","16.409","0.005","90","","91.23","0.02","90","","1666.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-a:4',3'-c]phthalazine","","- C20 H12 N8 -","- C20 H12 N8 -","- C80 H48 N32 -","4","1","TR1093","Chang, Wen-Fu; Wen, Yuh-Sheng; Liu, Ling-Kang","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-<i>a</i>:4',3'-<i>c</i>]phthalazine","Acta Crystallographica Section C","2004","60","9","o665","o667","10.1107/S0108270104016737","","","0.71073","MoKα","","0.059","0.0333","","","0.0833","0.0949","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014294","20.224","0.005","4.991","0.005","13.365","0.005","90","","97.727","0.005","90","","1336.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxybenzylamino)purin-3-ium chloride","","- C13 H14 Cl N5 O -","- C13 H14 Cl N5 O -","- C52 H56 Cl4 N20 O4 -","4","1","TR1094","Trávníček, Zdeněk; Popa, Igor; Doležal, Karel","6-(4-Methoxybenzylamino)purin-3-ium chloride","Acta Crystallographica Section C","2004","60","9","o662","o664","10.1107/S0108270104016749","","","0.71073","MoKα","","0.0505","0.0345","","","0.0759","0.0821","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014295","12.448","0.003","14.878","0.004","22.483","0.006","90","","97.655","0.005","90","","4126.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-2-hydroxybutanedioato-1κ^2^O^4^,O^4'^:2κ^2^O^2^,O^2^-nitrato-2κO- tris(1,10-phenanthroline)-1κ^4^N,N';2κ^2^N,N'-dicopper(II) nitrate tetrahydrate","","- C40 H36 Cu2 N8 O15 -","- C40 H36 Cu2 N8 O15 -","- C160 H144 Cu8 N32 O60 -","4","1","AV1267","Zhang, Xiang-Dong; Sun, Jin-Yu; Zhao, Zhen; Ma, Yong-Chao; Zhu, Miao-Li","[{Cu(phen)~2~}(μ-malato){Cu(phen)(NO~3~)}](NO~3~)·4H~2~O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex","Acta Crystallographica Section C","2006","62","1","m4","m6","10.1107/S0108270105034220","","","0.71073","MoKα","","0.0685","0.0486","","","0.1313","0.1372","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014296","3.779","0.0004","11.207","0.0008","7.841","0.0007","90","","102.019","0.009","90","","324.8","0.05","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[diaqua-μ-fluoro-μ-squarato-vanadium(III)]","","- C4 H4 F O6 V -","- C4 H4 F O6 V -","- C8 H8 F2 O12 V2 -","2","0.5","AV1268","Mohanu, Antoneta; Trombe, Jean-Christian","VF(C~4~O~4~)(H~2~O)~2~: a new layer type of diaquavanadium(III) fluoride squarate","Acta Crystallographica Section C","2006","62","1","m16","m18","10.1107/S0108270105039259","","","0.71073","MoKα","","0.0792","0.0351","","","0.0673","0.0749","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014297","6.4236","0.0017","7.627","0.002","9.814","0.003","104.424","0.006","96.634","0.002","108.81","0.005","430.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","poly[di-μ-1,5-dicyanamido-μ-1,4-bis(1,2,4-triazol-1-yl)butane-cadmium(II)]","","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","1","0.5","AV1270","Li, Bao-Zong; Liu, Xun-Gao; Wang, Zhao-Hui; Li, Bao-Long; Zhang, Yong","A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges","Acta Crystallographica Section C","2006","62","1","m10","m12","10.1107/S0108270105038102","","","0.71073","MoKα","","0.0171","0.0171","","","0.0449","0.0449","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014298","10.708","0.003","11.172","0.003","12.448","0.003","107.126","0.004","101.059","0.004","115.803","0.003","1189.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis(1,10-phenanthroline)tris(μ~3~-1,4-phenylenediacetato)trinickel(II)] dihydrate]","","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","1","0.5","AV1273","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2006","62","2","m48","m50","10.1107/S0108270105042575","","","0.71073","MoKα","","0.056","0.0357","","","0.0733","0.084","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014299","17.948","0.004","8.2512","0.0017","10.762","0.002","90","","90.461","0.004","90","","1593.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-n-decyl-4-hydroxyimino-3-methyl-1H-pyrazol-5(4H)-one","","- C14 H25 N3 O2 -","- C14 H25 N3 O2 -","- C56 H100 N12 O8 -","4","1","AV1274","Julio Belmar; Claudio Jiménez; Leandro Ortiz; María Teresa Garland; Ricardo Baggio","An oximino tautomer of 1-<i>n</i>-decyl-4-hydroxyimino-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2006","62","2","o76","o78","10.1107/S0108270105042204","","","0.71073","MoKα","","0.1369","0.0647","","","0.1532","0.1843","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014300","6.889","0.007","12.116","0.012","13.286","0.013","102.128","0.015","100.939","0.016","103.523","0.016","1020.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nitrobenzene derivative","2,3-dichloro-6-nitrobenzylaminium chloride","","- C7 H7 Cl3 N2 O2 -","- C7 H7 Cl3 N2 O2 -","- C28 H28 Cl12 N8 O8 -","4","2","AV1275","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Nagaraja, P.","Proton-bifurcated C—H···(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride","Acta Crystallographica Section C","2006","62","1","o36","o38","10.1107/S0108270105038114","","","0.71073","MoKα","","0.0771","0.0564","","","0.1419","0.1524","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014301","19.279","0.003","9.4502","0.0011","11.3308","0.0016","90","","107.736","0.012","90","","1966.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI)","Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI)","","- C12 H30 Mo N4 S4 -","- C12 H30 Mo N4 S4 -","- C48 H120 Mo4 N16 S16 -","4","0.5","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0402","0.0244","","","0.0565","0.0605","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014302","7.0045","0.0012","9.6833","0.0018","10.53","0.002","108.621","0.01","92.564","0.01","106.24","0.01","642.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","","- C6 H16 Mo N2 S4 -","- C6 H16 Mo N2 S4 -","- C12 H32 Mo2 N4 S8 -","2","1","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0456","0.0219","","","0.0497","0.0531","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014303","9.2875","0.0003","10.3056","0.0003","13.3897","0.0004","81.468","0.001","85.416","0.001","64.27","0.001","1141.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{tert-Butyl[(E)-2-(tert-butylimino)ethyl]amido-k^2^N,N'} [bis(trimethylsilyl)amido-κN]tin(II)","","- C16 H39 N3 Si2 Sn -","- C16 H39 N3 Si2 Sn -","- C32 H78 N6 Si4 Sn2 -","2","1","AV1279","Guzei, Ilia A.; Timokhin, Vitaliy I.; West, Robert","[Bis(trimethylsilyl)amido-κ<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-κ^2^<i>N</i>,<i>N</i>'}tin(II), a key intermediate in the synthesis of 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole","Acta Crystallographica Section C","2006","62","3","m90","m92","10.1107/S0108270106001697","","","0.71073","Mo-Kα","","0.0332","0.0311","","","0.0784","0.0798","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014304","5.429","0.001","5.443","0.001","7.66","0.002","90","","90","","90","","226.35","0.08","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","Europium strontium manganite perovskite","Europium strontium manganese trioxide","","- Eu2.36 Mn4 O12 Sr1.64 -","- Eu0.589 Mn O3 Sr0.412 -","- Eu2.356 Mn4 O12 Sr1.648 -","4","0.5","BC1078","Rafael Tamazyan; Nicola Rotiroti; Sander van Smaalen; Yakov Mukovskii; A. Arsenov","Twinning and structure of Eu~0.6~Sr~0.4~MnO~3~","Acta Crystallographica Section C","2006","62","1","i3","i5","10.1107/S0108270105036644","","","0.71069","MoKα","","0.0832","0.0399","","","0.0405","0.0438","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014305","11.28","0.0011","11.28","0.0011","9.6375","0.0011","90","","90","","120","","1061.97","0.19","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Iron(III) hypophosphite","Iron(III) tris[dihydrogenphosphate(I)]","","- Fe H6 O6 P3 -","- Fe H6 O6 P3 -","- Fe6 H36 O36 P18 -","6","0.333333","BC1084","Kuratieva, Natalia V.; Naumov, Dmitry Yu.","Iron(III) dihydrogenphosphate(I)","Acta Crystallographica Section C","2006","62","1","i9","i10","10.1107/S0108270105038035","","","0.71073","MoKα","","0.0403","0.0299","","","0.0693","0.0732","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014306","10.3273","0.0003","10.3273","0.0003","37.098","0.002","90","","90","","120","","3426.5","0.2","173","","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Calcium sodium vanadate phosphate whitlockite","Calcium sodium vanadate phosphate","","- Ca8.42 Na1.16 O28 P7 V -","- Ca8.418 Na1.164 O28 P7 V -","- Ca50.508 Na6.984 O168 P42 V6 -","6","0.333333","BC1085","Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov","A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~","Acta Crystallographica Section C","2006","62","2","i13","i15","10.1107/S0108270105039041","","","0.71069","MoKα","","0.016","0.016","","","0.0479","0.048","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014307","6.1393","0.0015","6.386","0.002","12.005","0.003","81.75","0.04","85.76","0.03","86.18","0.03","463.8","0.2","291","2","","","","","","","","","","6","P -1","-P 1","2","","molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","","- C7 H Cu3 Mo O7.5 Te -","- Cl2 Cu3 H Mo O7.5 Te -","- Cl4 Cu6 H2 Mo2 O15 Te2 -","2","1","BC1088","Takagi, Rie; Fabienne Duc; Johnsson, Mats; molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","MoCu~3~TeO~7~Cl~2~·0.5H~2~O","Acta Crystallographica Section C","2006","62","2","i16","i18","10.1107/S0108270106000679","","","0.71073","MoKα","","","0.0266","","","","0.0539","","","","","","0.851","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014308","11.1709","0.0008","4.9674","0.0007","10.5987","0.0008","90","","90","","90","","588.13","0.1","290","","290","","","","","","","","","4","P c c n","-P 2ab 2ac","56","lead dizinc orthoborate","Lead zinc borate","","- B2 O6 Pb Zn2 -","- B2 O6 Pb Zn2 -","- B8 O24 Pb4 Zn8 -","4","0.5","BC1089","Chen, Xue-An; Zhao, Ying-Hua; Chang, Xin-An; Zhang, Li; Xue, Hai-Ping","Lead zinc borate, PbZn~2~(BO~3~)~2~","Acta Crystallographica Section C","2006","62","1","i11","i12","10.1107/S0108270105040709","","","0.71073","MoKα","","0.0605","0.0449","","","0.136","0.1449","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014309","8.496","0.004","13.274","0.006","6.292","0.004","90","","90","","90","","709.6","0.6","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","rubidium tetraberyllium tris(borate)","rubidium tetraberyllium tris(borate)","","- B3 Be4 O9 Rb -","- B3 Be4 O9 Rb -","- B12 Be16 O36 Rb4 -","4","0.5","BC1092","Xiao-Hong Wen; R.-K. Li; C.-T. Chen","A new rubidium beryllium borate, RbBe~4~(BO~3~)~3~","Acta Crystallographica Section C","2006","62","3","i21","i23","10.1107/S0108270106003131","","","0.71073","MoKα","","0.0484","0.0436","","","0.1078","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014310","10.546","0.002","12.95","0.003","16.033","0.003","90","","90.58","0.03","90","","2189.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","","- C22 H54 N4 O28 V10 -","- C22 H54 N4 O28 V10 -","- C44 H108 N8 O56 V20 -","2","0.5","BG1023","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","Acta Crystallographica Section C","2006","62","2","m60","m62","10.1107/S0108270105042241","","","0.71073","MoKα","","0.0417","0.031","","","0.0854","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014311","19.014","0.003","6.8434","0.001","9.4203","0.0014","90","","90","","90","","1225.8","0.3","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]","","- C6 H12 Ba O12 Zn -","- C6 H12 Ba O12 Zn -","- C24 H48 Ba4 O48 Zn4 -","4","0.5","BM1619","Guo Ming-Lin; Guo Chen-Hu","Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","1","m7","m9","10.1107/S0108270105036358","","","0.71073","MoKα","","0.0275","0.0194","","","0.0429","0.0456","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014312","9.943","0.003","5.351","0.002","11.154","0.003","90","","105.38","0.03","90","","572.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosine methyl ester hydrochloride","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C20 H28 Cl2 N2 O6 -","2","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","0.71073","MoKα","","0.0545","0.0422","","","0.0881","0.0913","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014313","5.424","0.002","11.08","0.003","21.647","0.005","90","","90","","90","","1300.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-tyrosine methyl ester hydrochloride methanol solvate","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride methanol solvate","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C44 H72 Cl4 N4 O16 -","4","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","1.5418","CuKα","","0.0415","0.0403","","","0.107","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014314","10.3541","0.0012","13.5873","0.0015","21.746","0.003","90","","103.791","0.005","90","","2971.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate","","- C26 H31 Cl3 Fe N7 O3 -","- C26 H31 Cl3 Fe N7 O3 -","- C104 H124 Cl12 Fe4 N28 O12 -","4","1","BM3001","Feng, Si-Si; Lu, Li-Ping; Wang, Shu-Xia; Li, Li; Zhu, Miao-Li","<i>cis</i>-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","3","m105","m108","10.1107/S0108270106002630","","","0.71073","MoKα","","0.0642","0.0441","","","0.104","0.113","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014315","4.9402","0.0002","5.6847","0.0003","25.9862","0.0013","90","","94.495","0.002","90","","727.54","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","BM3004","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide","Acta Crystallographica Section C","2006","62","3","o153","o154","10.1107/S0108270106003441","","","0.71073","MoKα","","0.0602","0.0392","","","0.0827","0.0909","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014316","35.62","0.011","4.9487","0.0016","9.406","0.003","90","","90.447","0.005","90","","1658","0.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","n-hexadecanoic acid","","- C16 H32 O2 -","- C16 H32 O2 -","- C64 H128 O8 -","4","1","DN3001","Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Lahoz, Fernando J.; Balana, Ana I.","The <i>C</i> form of <i>n</i>-hexadecanoic acid","Acta Crystallographica Section C","2006","62","3","o129","o131","10.1107/S0108270106003106","","","0.71073","MoKα","","0.1283","0.0921","","","0.2406","0.2625","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014317","9.6673","0.0007","9.6787","0.0007","15.588","0.0018","90","","107.131","0.002","90","","1393.8","0.2","293","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0972","0.0412","","","0.1229","0.1449","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014318","16.163","0.001","6.578","0.001","13.583","0.001","90","","93.73","0.02","90","","1441.1","0.3","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0897","0.0505","","","0.1663","0.1822","","","","","","1.139","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014319","18.513","0.002","13.916","0.001","9.6383","0.0007","90","","90","","90","","2483.1","0.4","293","2","293","2","","","","","","","","4","P m m a","-P 2a 2a","51","","Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]","","- C Cl15 Cs Zr6 -","- C Cl15 Cs Zr6 -","- C4 Cl60 Cs4 Zr24 -","4","0.5","FA1155","Rohm, Henning W.; Köckerling, Martin","Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]","Acta Crystallographica Section C","2006","62","2","i19","i20","10.1107/S0108270105043076","","","0.71073","MoKα","","0.0583","0.0455","","","0.117","0.1275","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014320","8.7074","0.0017","17.749","0.004","14.081","0.003","90","","104.53","0.03","90","","2106.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Methoxyethoxy)ethyl 4-[5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3- yl)diazenyl]benzoate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","FA1171","Qian, Hui-Fen; Huang, Wei","An azo dye molecule having a pyridine-2,6-dione backbone","Acta Crystallographica Section C","2006","62","2","o62","o64","10.1107/S0108270105041211","","","0.71073","MoKα","","0.0583","0.0537","","","0.1391","0.142","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014321","7.6594","0.0002","7.7717","0.0001","8.7972","0.0002","113.248","0.001","108.653","0.001","97.495","0.001","435.608","0.017","293","","293","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]","","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","1","0.5","FA1173","Amalija Golobič; Martina Malekovič; Primož Šegedin","<i>catena</i>-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]: a new mode of bridging between binuclear and mononuclear formate‒copper(II) units","Acta Crystallographica Section C","2006","62","3","m102","m104","10.1107/S0108270106001636","","","0.71073","MoKα","","","0.052","","","","0.152","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014322","19.357","0.003","16.537","0.002","21.783","0.003","90","","97.09","0.01","90","","6919.6","1.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III)","","- C64 H32 As4 I8 N16 -","- C64 H32 As4 I8 N16 -","- C256 H128 As16 I32 N64 -","4","0.5","FA1174","Jan Janczak; Genivaldo Júlio Perpétuo","Bis{[phthalocyaninato(2‒)]arsenic(III)} octaiododiarsenic(III)","Acta Crystallographica Section C","2006","62","2","m45","m47","10.1107/S0108270105042113","","","0.71073","MoKα","","0.0765","0.0488","","","0.1196","0.1386","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014323","10.7354","0.0006","22.1257","0.0012","23.6103","0.0013","99.38","0.001","95.008","0.001","92.238","0.001","5503.9","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C192 H208 Co12 F48 N32 O32 P8 -","4","2","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.8461","synchrotron","","0.0636","0.0556","","","0.1462","0.1521","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014324","10.688","0.004","11.839","0.004","12.48","0.004","98.149","0.005","103.605","0.005","111.722","0.005","1379.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","1","0.5","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.6711","synchrotron","","0.1043","0.0723","","","0.1948","0.2144","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014325","5.1761","0.0004","13.9774","0.0011","16.8689","0.0014","90","","90","","90","","1220.44","0.17","298","2","298","1","","","","","","","Hagendorf pegmatite, Bavaria, Germany","6","C m c m","-C 2c 2","","","iron manganese zinc tris(phosphate) pentahydroxide","Frondelite","- Fe4.32 H5 Mn0.62 O17 P3 Zn0.06 -","- Fe4.32 H3 Mn0.62 O17 P3 Zn0.06 -","- Fe17.28 H12 Mn2.48 O68 P12 Zn0.24 -","4","0.25","FA1177","Redhammer, Günther J.; Roth, Georg; Tippelt, Gerold; Bernroider, Manfred; Lottermoser, Werner; Amthauer, Georg; Hochleitner, Rupert","Manganoan rockbridgeite Fe~4.32~Mn~0.62~Zn~0.06~(PO~4~)~3~(OH)~5~: structure analysis and ^57^Fe Mössbauer spectroscopy","Acta Crystallographica Section C","2006","62","3","i24","i28","10.1107/S0108270106002472","","","0.71073","MoKα","","","0.039","","","","0.078","","","","","","1.393","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2014326","5.4845","0.0002","6.4997","0.0003","7.6758","0.0003","84.121","0.002","73.816","0.003","71.792","0.003","249.587","0.019","120","2","150","2","","","","","","","","4","P -1","-P 1","2","2-mercaptothiazoline","1,3-thiazolidine-2-thione","","- C3 H5 N S2 -","- C3 H5 N S2 -","- C6 H10 N2 S4 -","2","1","FA1178","Corrêa, Rodrigo S.; Santana, Sarita A.; Salloum, Rogêrio; Silva, Rosalice M.; Doriguetto, Antônio C.","A triclinic polymorph of 1,3-thiazolidine-2-thione (2-mercaptothiazoline)","Acta Crystallographica Section C","2006","62","3","o115","o117","10.1107/S0108270106002484","","","0.71073","MoKα","","","0.0259","","","","0.0628","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014327","16.9692","0.0011","5.2167","0.0003","12.4065","0.0008","90","","90.942","0.001","90","","1098.11","0.12","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-isoleucyl-L-serin 0.33-hydrate","","- C9 H18.67 N2 O4.33 -","- C9 H18.668 N2 O4.334 -","- C36 H74.672 N8 O17.336 -","4","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0365","0.0339","","","0.0884","0.091","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014328","7.6434","0.0007","5.7609","0.0005","13.4396","0.0012","90","","93.754","0.004","90","","590.51","0.09","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-phenylalanyl-L-serine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0329","0.0307","","","0.0826","0.084","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014329","16.791","0.004","5.0711","0.0011","26.851","0.006","90","","100.926","0.004","90","","2244.9","0.9","105","2","105","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Methionyl-L-Serine 0.34-hydrate","","- C8 H16.68 N2 O4.34 S -","- C8 H16.6775 N2 O4.33875 S -","- C64 H133.42 N16 O34.71 S8 -","8","2","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0897","0.0726","","","0.1937","0.2011","","","","","","1.54","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014330","5.97","0.001","6.775","0.001","13.335","0.003","85.23","0.03","83.31","0.03","83.22","0.03","530.62","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","glycin cobalt sulphate pentahydrate","hexaaquacobalt(II) tetraaquadiglycinatocobalt(II) sulfate","","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","1","0.5","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0216","0.0202","","","0.0511","0.0519","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014331","17.775","0.004","7.311","0.001","22.595","0.005","90","","100.1","0.03","90","","2890.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","glycine sodium thiosulphate dihydrate","poly[diaqua-μ~3~-glycinato-di-μ~4~-thiosulfato-thiosulfatotetrasodium(I)","","- C2 H9 N Na4 O10 S4 -","- C2 H9 N Na4 O10 S4 -","- C16 H72 N8 Na32 O80 S32 -","8","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.029","0.0249","","","0.0625","0.0649","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014332","5.63","0.001","20.244","0.004","7.762","0.002","90","","94.33","0.03","90","","882.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","glycin potassium thiosulphate","poly[μ~2~-glycinato-μ~4~-thiosulfato-dipotassium(I)]","","- C2 H5 K2 N O5 S2 -","- C2 H5 K2 N O5 S2 -","- C8 H20 K8 N4 O20 S8 -","4","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0287","0.0229","","","0.0561","0.0582","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014333","12.541","0.003","9.5315","0.0019","15.989","0.003","90","","110.91","0.03","90","","1785.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(azonia-12-crown-4) bis(4-aminobenzoate) trihydrate","bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","","- C30 H54 N4 O13 -","- C30 H54 N4 O13 -","- C60 H108 N8 O26 -","2","1","FG3002","Basok, Stepan S.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.","Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","Acta Crystallographica Section C","2006","62","1","o50","o52","10.1107/S0108270105040667","","","0.71073","MoKα","","0.0457","0.0301","","","0.0584","0.0618","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014334","7.224","0.002","8.701","0.002","10.382","0.003","103.51","0.03","98.97","0.03","110.98","0.03","571.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","N-(5-bromo-2-pyridyl)aminomethane-1,1-diphosphonic acid","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","","- C6 H9 Br N2 O6 P2 -","- C6 H9 Br N2 O6 P2 -","- C12 H18 Br2 N4 O12 P4 -","2","1","FG3003","Ewa Matczak-Jon; Katarzyna Ślepokura; Paweł Kafarski","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","Acta Crystallographica Section C","2006","62","3","o132","o135","10.1107/S0108270106002423","","","0.71073","MoKα","","0.0467","0.034","","","0.0674","0.0713","","","","","","1.081","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014335","6.448","0.0011","14.099","0.002","15.924","0.002","90","","94.617","0.012","90","","1443","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","GA1110","Leji Latheef; E. Manoj; M. R. Prathapachandra Kurup","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o16","o18","10.1107/S010827010503564X","","","0.71073","MoKα","","0.1402","0.0444","","","0.089","0.1102","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014336","12.6628","0.001","18.8367","0.0015","20.138","0.0016","90","","95.789","0.001","90","","4778.9","0.7","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cu(phen)~3~][Hg~2~I~6~] DMSO H~2~O","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","","- C38 H32 Cu Hg2 I6 N6 O2 S -","- C38 H31 Cu Hg2 I6 N6 O2 S -","- C152 H124 Cu4 Hg8 I24 N24 O8 S4 -","4","1","GA1111","Oh, Myeong-Jin; Lee, Yong-Min; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","Acta Crystallographica Section C","2006","62","2","m51","m53","10.1107/S0108270105043088","","","0.71073","MoKα","","0.085","0.0411","","","0.08","0.0943","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014337","7.2388","0.0005","22.3068","0.0011","7.7746","0.0005","90","","108.884","0.005","90","","1187.83","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","di-μ-pyridazine-1κ^2^N:2κN'-bis[(2,3-dihydro-3- oxobenzisosulfonazolato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C44 H32 Ag4 N12 O12 S4 -","2","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0297","0.0262","","","0.0624","0.0634","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014338","7.3231","0.0008","7.7516","0.0009","11.5389","0.0014","73.09","0.009","83.087","0.01","71.148","0.009","592.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","1","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0289","0.0251","","","0.0658","0.0664","","","","","","1.083","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014339","21.131","0.004","6.8459","0.0011","15.376","0.003","90","","103.135","0.002","90","","2166.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-biphenyldicarboxylic acid‒2,5-bis(4-pyridyl)-1,3,4-oxadiazole (1/1)","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C104 H72 N16 O20 -","4","0.5","GD1421","Miao Du; Yan-Ping You; Zhi-Hui Zhang","Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole","Acta Crystallographica Section C","2006","62","1","o33","o35","10.1107/S0108270105039077","","","0.71073","MoKα","","0.0634","0.0386","","","0.1021","0.1112","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014340","9.0606","0.0018","7.2027","0.0014","13.309","0.003","90","","119.96","0.03","90","","752.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-dihydroxynaphthalene","Naphthalene-1,3-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","GD1424","Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr","Naphthalene-1,3-diol","Acta Crystallographica Section C","2006","62","2","o68","o70","10.1107/S010827010504093X","","","0.71073","MoKα","","0.0594","0.0489","","","0.1129","0.1192","","","","","","1.171","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014341","8.7638","0.0007","12.4371","0.001","13.572","0.0011","110.55","0.006","97.483","0.007","101.857","0.006","1322.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Disodium 2,5-dianilinoterephthalate decahydrate","","- C20 H34 N2 Na2 O14 -","- C20 H33 N2 Na2 O14 -","- C40 H66 N4 Na4 O28 -","2","1","GD1425","Schmidt, Martin U.; Schmiermund, Torsten; Bolte, Michael","Disodium 2,5-bis(phenylamino)terephthalate decahydrate, an intermediate in the industrial synthesis of quinacridone pigments","Acta Crystallographica Section C","2006","62","2","m37","m40","10.1107/S0108270105040114","","","0.71073","MoKα","","0.0618","0.0507","","","0.1342","0.1411","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014342","14.9018","0.0017","16.7328","0.0017","12.5546","0.0014","90","","113.446","0.002","90","","2872","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II)","","- C11 H16 Cl2 N4 Zn -","- C11 H16 Cl2 N4 Zn -","- C88 H128 Cl16 N32 Zn8 -","8","1","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0249","0.0236","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014343","7.7033","0.0017","9.232","0.002","11.513","0.002","112.752","0.019","102.34","0.02","97.28","0.03","717.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}","","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","1","0.5","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0189","0.0177","","","0.0438","0.0444","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014344","15.0755","0.0011","10.6965","0.0005","10.5305","0.0007","90","","107.123","0.005","90","","1622.83","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium O,O-dicyclohexyl phosphorodithioate","","- C12 H26 N O2 P S2 -","- C12 H26 N O2 P S2 -","- C48 H104 N4 O8 P4 S8 -","4","1","GD3002","Mustafa Serkan Soylu; Mehtap Yağan; Nezihe Çalıs̨kan; Bekir Batı; Orhan Büyükgüngör","Ammonium <i>O</i>,<i>O</i>-dicyclohexyl phosphorodithioate","Acta Crystallographica Section C","2006","62","3","o145","o147","10.1107/S0108270106003969","","","0.71073","MoKα","","0.052","0.0387","","","0.1009","0.1063","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014345","12.3571","0.0006","6.5465","0.0002","15.1231","0.0006","90","","95.556","0.004","90","","1217.65","0.09","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","","- C3 H21 N3 O8 P2 -","- C3 H21 N3 O8 P2 -","- C12 H84 N12 O32 P8 -","4","1","GG1289","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Dušek, Michal","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","Acta Crystallographica Section C","2006","62","2","o73","o75","10.1107/S0108270105041934","","","0.71069","MoKα","","0.032","0.026","","","0.0766","0.08","","","","","","1.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014346","14.628","0.001","28.573","0.005","17.324","0.002","90","","106.39","0.05","90","","6947","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris{chloro[6-(1-diphenylphosphinoxy-1-methylethyl)-2- ethylpyridine-κ^2^N,P]methylpalladium(II)} chloroform solvate","","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C268 H304 Cl24 N12 O12 P12 Pd12 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1065","0.0587","","","0.1047","0.1234","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014347","10.151","0.001","11.461","0.001","12.106","0.002","95.4","0.05","109.93","0.05","112.23","0.05","1184.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]palladium(II)","","- C26 H24 Cl2 N P Pd -","- C26 H24 Cl2 N P Pd -","- C52 H48 Cl4 N2 P2 Pd2 -","2","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.0402","0.0305","","","0.0719","0.0776","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014348","11.507","0.001","12.011","0.002","17.49","0.002","90","","99.92","0.05","90","","2381.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]methylpalladium(II)","","- C27 H27 Cl N P Pd -","- C27 H27 Cl N P Pd -","- C108 H108 Cl4 N4 P4 Pd4 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1214","0.0553","","","0.0934","0.1123","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014349","36.496","0.007","4.603","0.0009","12.231","0.002","90","","95.06","0.03","90","","2046.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[4-(salicylideneamino)phenyl]methane","2,2'-[methylenedi-p-phenylenebis(nitrilomethylidyne)]diphenol","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","0.5","GG1307","Henrik Birkedal; Philip Pattison","Bis[4-(salicylideneamino)phenyl]methane","Acta Crystallographica Section C","2006","62","3","o139","o141","10.1107/S0108270106003283","","","0.8","synchrotron","","0.061","0.0562","","","0.163","0.1676","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014350","10.0911","0.0006","12.279","0.0007","11.1598","0.0007","90","","104.24","0.001","90","","1340.31","0.14","118","2","118","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium risedronate dihydrate","Ammonium [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl]phosphonate dihydrate","","- C7 H18 N2 O9 P2 -","- C7 H18 N2 O9 P2 -","- C28 H72 N8 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0628","0.0478","","","0.1054","0.1113","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014351","6.5356","0.0004","28.1606","0.0017","6.9636","0.0004","90","","95.993","0.001","90","","1274.62","0.13","118","2","118","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","potassium risedronate dihydrate","monopotassium [1-hydroxy-1-phosphono-2-(pyridinum-3-yl)ethyl]phosphonate dihydrate","","- C7 H14 K N O9 P2 -","- C7 H14 K N O9 P2 -","- C28 H56 K4 N4 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0397","0.0341","","","0.0856","0.088","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014352","17.585","0.002","6.8615","0.0005","13.9453","0.0016","90","","103.035","0.01","90","","1639.3","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","GZ1025","Dinçer, Muharrem; Özdemir, Namık; Saydam, Sinan; Bekaroğlu, Özer; Büyükgüngör, Orhan","Hydrogen bonding in <i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings","Acta Crystallographica Section C","2006","62","2","o89","o91","10.1107/S0108270106001053","","","0.71073","MoKα","","0.06","0.0532","","","0.1424","0.1484","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014353","7.659","0.003","13.872","0.005","16.479","0.005","113.175","0.005","99.171","0.006","96.799","0.005","1557","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Daphnoretin","7-Hydroxy-6-methoxy-2-oxo-2H-chromen-3-yl 2-oxo-2H-chromen-7-yl ether","","- C19 H12 O7 -","- C19 H12 O7 -","- C76 H48 O28 -","4","2","GZ1026","Tian-Zhu Zhang; Chun-Yan Wei; Guo-Hai Xu; Se-Won Park","7-Hydroxy-6-methoxy-3-[(2-oxo-2<i>H</i>-1-benzopyran-7-yl)oxy]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","2006","62","2","o86","o88","10.1107/S0108270106000874","","","0.71073","MoKα","","0.0748","0.0452","","","0.0829","0.0933","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014354","9.9776","0.0006","14.0647","0.0008","19.586","0.001","70.511","0.002","82.199","0.002","71.989","0.002","2462.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","trans-(12,12-dimethyl-1,4,7,10- tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","","- C32 H58 Co2 N16 O S8 Zn -","- C32 H58 Co2 N16 O S8 Zn -","- C64 H116 Co4 N32 O2 S16 Zn2 -","2","1","HJ1078","Neil F. Curtis; Kelly Flood; Ward T. Robinson","A cobalt(III) compound of a 13-membered cyclic tetraamine: <i>trans</i>-(12,12-dimethyl-1,4,7,10-tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","Acta Crystallographica Section C","2006","62","2","m78","m80","10.1107/S0108270105042940","","","0.71073","MoKα","","0.0272","0.0236","","","0.0622","0.0644","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014356","28.0177","0.0004","6.8221","0.0009","18.9339","0.0004","90","","113.61","0.03","90","","3316.1","0.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine dihydrate","","- C15 H24 Br N3 O2 -","- C15 H24 Br N3 O2 -","- C120 H192 Br8 N24 O16 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0667","0.0365","","","0.0701","0.0799","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014357","11.096","0.0002","14.6481","0.0003","15.1797","0.0004","79.552","0.001","88.019","0.001","72.336","0.001","2311.38","0.09","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","7-chloro-4-[2-(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid","","- C15 H29 Cl N3 O12 P3 -","- C15 H29 Cl N3 O12 P3 -","- C60 H116 Cl4 N12 O48 P12 -","4","2","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.096","0.0542","","","0.1207","0.1397","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014358","7.324","0.0006","13.7493","0.0012","15.9016","0.0013","90","","90.72","0.002","90","","1601.2","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(dinitrato-κ^2^O,O')cadmium(II)]-μ-1,2,3,6,7,8- hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^]","","- C12 H14 Cd N6 O7 -","- C12 H14 Cd N6 O7 -","- C48 H56 Cd4 N24 O28 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0255","0.0222","","","0.0548","0.0562","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014359","12.257","0.0012","12.5085","0.0011","15.8471","0.0014","90","","102.687","0.002","90","","2370.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[(dinitrato-κ^2^O,O')cadmium(II)]-μ-2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^] chloroform solvate]","","- C17 H21 Cd Cl3 N6 O6 -","- C17 H21 Cd Cl3 N6 O6 -","- C68 H84 Cd4 Cl12 N24 O24 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0287","0.0254","","","0.0621","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014362","6.98","0.001","10.936","0.002","18.955","0.003","90","","93.901","0.002","90","","1443.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H14 Cl N3 Ni O S -","- C12 H14 Cl N3 Ni O S -","- C48 H56 Cl4 N12 Ni4 O4 S4 -","4","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0632","0.0454","","","0.1043","0.1132","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014364","12.2239","0.0002","12.2239","0.0002","12.2239","0.0002","90","","90","","90","","1826.54","0.05","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","tricesium lithium dicobalt tetrakis(tetraoxomolybdate)","","- Co2 Cs3 Li Mo4 O16 -","- Co2 Cs3 Li0.999999 Mo4 O16 -","- Co8 Cs12 Li4 Mo16 O64 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0254","0.0175","","","0.0368","0.038","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014365","11.9018","0.0014","11.9018","0.0014","11.9018","0.0014","90","","90","","90","","1685.9","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","trirubidium lithium dizinc tetrakis(tetraoxomolybdate)","","- Li Mo4 O16 Rb3 Zn2 -","- Li0.999999 Mo4 O16 Rb3 Zn2 -","- Li4 Mo16 O64 Rb12 Zn8 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0124","0.0114","","","0.0258","0.0259","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014366","8.7549","0.0012","8.9042","0.0012","9.0128","0.0013","95.81","0.003","114.955","0.002","103.061","0.003","604.96","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","BMIMPF6","1-butyl-3-methylimidazolium hexafluorophosphate","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","JZ1769","Dibrov, Sergey M.; Kochi, Jay K.","Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate","Acta Crystallographica Section C","2006","62","1","o19","o21","10.1107/S0108270105037200","","","0.71073","MoKα","","0.0522","0.0434","","","0.1199","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014367","10.775","0.002","11.668","0.002","14.29","0.003","90","","100.572","0.003","90","","1766.1","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{N-[2-(2-hydroxybenzamido)ethylammonioethyl]aminocarbonyl}phenolate","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","JZ1772","Liu, Hui-Min; He, Lei; Luo, Xiao-Lan; Zhang, Wen-Qin","A zwitterion of 1,5-bis(2-hydroxybenzamido)-3-azapentane: a two-dimensional hydrogen-bonding network involving dimers","Acta Crystallographica Section C","2006","62","2","o104","o106","10.1107/S0108270106001545","","","0.71073","MoKα","","0.0884","0.0413","","","0.097","0.1184","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014368","4.7087","0.0004","14.1428","0.0012","23.2401","0.0019","90","","90","","90","","1547.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl β-L-lactoside","Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","JZ1778","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)","Acta Crystallographica Section C","2006","62","2","o82","o85","10.1107/S010827010504254X","","","0.71073","MoKα","","0.0406","0.0333","","","0.0832","0.0876","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014369","5.473","0.0015","7.773","0.002","13.011","0.004","100.112","0.004","93.292","0.004","100.744","0.004","533","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","DL-lysine complex","bis(DL-lysinium) adipate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.048","0.044","","","0.1162","0.1195","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014370","10.532","0.003","7.2834","0.0017","10.599","0.003","90","","113.352","0.003","90","","746.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complex","L-lysine hydrogen adipate","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.0565","0.051","","","0.1299","0.1345","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014371","10.776","0.007","7.483","0.005","26.381","0.018","90","","99.406","0.01","90","","2099","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2H-chromen-2-one monohydrate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","LN1189","Xiang Zhou; Xiao-Bing Wang; Ling-Yi Kong","Hydrogen bonding and π‒π stacking in 7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section C","2006","62","2","o58","o61","10.1107/S0108270105040928","","","0.71073","MoKα","","0.0828","0.0456","","","0.1016","0.1235","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014372","8.5175","0.0006","11.3011","0.0008","17.0503","0.0013","90","","90","","90","","1641.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0292","0.0254","","","0.0576","0.0588","","","","","","0.954","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014373","8.5276","0.0006","11.309","0.0011","17.0624","0.0012","90","","90","","90","","1645.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0298","0.0282","","","0.0755","0.0762","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014375","14.808","0.001","16.478","0.002","11.758","0.001","90","","90.84","0.01","90","","2868.7","0.5","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo- [bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","","- C8 H41 I3 N8 O11 P2 Pt2 -","- C8 H41 I3 N8 O11 P2 Pt2 -","- C32 H164 I12 N32 O44 P8 Pt8 -","4","1","OB1246","Matsushita, Nobuyuki","A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo-[bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","Acta Crystallographica Section C","2006","62","2","m33","m36","10.1107/S0108270105041247","","","0.71069","MoKα","","","0.0325","","","0.083","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014376","9.815","0.003","13.105","0.003","32.039","0.007","90","","96.62","0.015","90","","4093.6","1.8","298","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","","- C35 H37 F12 N6 O1.5 P2 Pt -","- C35 H37 F12 N6 O1.5 P2 Pt -","- C140 H148 F48 N24 O6 P8 Pt4 -","4","1","RB1020","Rotondo, Archimede","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","Acta Crystallographica Section C","2006","62","1","m19","m21","10.1107/S0108270105040163","","","0.71073","MoKα","","","0.067","","","","0.1219","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014377","10.3369","0.0011","9.6662","0.001","15.4737","0.0016","90","","105.72","0.002","90","","1488.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquamalonato(1,10-phenanthroline)zinc(II)","","- C15 H14 N2 O6 Zn -","- C15 H14 N2 O6 Zn -","- C60 H56 N8 O24 Zn4 -","4","1","SF1018","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang","Diaquamalonato(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2006","62","1","m13","m15","10.1107/S0108270105038047","","","0.71073","MoKα","","0.0442","0.0328","","","0.0682","0.0713","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014378","5.5803","0.0003","11.5739","0.001","13.142","0.0008","90","","98.66","0.005","90","","839.11","0.1","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoin-4-ethylthiosemicarbazone","2-hydroxy-1,2-diphenylethanone 4-ethylthiosemicarbazone","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","SF1021","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","Benzoin 4-ethylthiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o13","o15","10.1107/S0108270105037728","","","0.71073","MoKα","","0.0743","0.0483","","","0.1226","0.135","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014379","7.151","0.003","21.43","0.004","18.274","0.003","90","","95.479","0.01","90","","2787.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{cis-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran- 4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","","- C30 H34 F N O7 S -","- C30 H34 F N O7 S -","- C120 H136 F4 N4 O28 S4 -","4","1","SF1022","Charlier, Caroline; Delayen, Aurelie; Norberg, Bernadette; Hénichart, Jean-Pierre; Wouters, Johan","(2<i>RS</i>,5<i>SR</i>,6<i>SR</i>)-Methyl 4-{<i>cis</i>-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","Acta Crystallographica Section C","2006","62","2","o92","o94","10.1107/S0108270106001065","","","1.54178","CuKα","","0.0901","0.0605","","","0.1591","0.1763","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014381","11.3652","0.0002","16.3372","0.0003","14.0065","0.0003","90","","109.949","0.001","90","","2444.62","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate","","- C48 H42 Cl2 Cu N14 O8 -","- C48 H42 Cl2 Cu N14 O8 -","- C96 H84 Cl4 Cu2 N28 O16 -","2","0.5","SF1025","Goodman, M. Scott; Goodman, Margaret A.; Kovalevsky, Andrey Y.; Nazarenko, Alexander Y.; Pope, Donald","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2006","62","2","m30","m32","10.1107/S0108270105041661","","","0.71073","MoKα","","0.0382","0.0323","","","0.085","0.0882","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014383","4.0511","0.0009","12.076","0.003","12.771","0.003","90","","90.287","0.012","90","","624.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","SK1880","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) rings","Acta Crystallographica Section C","2006","62","1","o5","o7","10.1107/S0108270105033512","","","0.71073","MoKα","","0.1264","0.0671","","","0.147","0.2008","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014384","7.1162","0.0004","7.1895","0.0002","9.1695","0.0004","83.21","0.003","78.92","0.002","64.808","0.003","416.25","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0498","0.0395","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014385","6.1908","0.0003","4.9761","0.0002","30.1095","0.0015","90","","94.331","0.003","90","","924.91","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0695","0.0445","","","0.1023","0.1133","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014386","8.0214","0.0003","13.7477","0.0004","13.2847","0.0004","90","","95.3019","0.0017","90","","1458.71","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 5-cyano-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3-carboxylate","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0657","0.0478","","","0.1218","0.1324","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014387","8.0511","0.0002","15.173","0.004","14.47","0.004","90","","105.76","0.002","90","","1701.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H20 N2 O7 -","- C17 H20 N2 O7 -","- C68 H80 N8 O28 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0626","0.0465","","","0.118","0.1275","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014388","9.5651","0.0003","7.5735","0.0002","17.6385","0.0005","90","","96.257","0.0013","90","","1270.14","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarbonitrile","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0543","0.0392","","","0.0959","0.1051","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014389","5.5055","0.0002","11.8317","0.0003","13.5668","0.0004","83.321","0.0017","78.956","0.0017","86.396","0.0018","860.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl- 1H-pyrazole","","- C19 H16 Cl N5 O2 -","- C19 H16 Cl N5 O2 -","- C38 H32 Cl2 N10 O4 -","2","1","SK1888","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-1-phenyl-1<i>H</i>-pyrazole: a chain of fused hydrogen-bonded rings","Acta Crystallographica Section C","2006","62","1","o30","o32","10.1107/S0108270105038023","","","0.71073","MoKα","","0.0589","0.0396","","","0.0925","0.1022","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014390","4.5664","0.0004","18.727","0.002","10.8416","0.001","90","","101.787","0.006","90","","907.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3,5-dinitrobenzoate","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.101","0.0577","","","0.1531","0.1744","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014391","9.7037","0.0003","5.7152","0.0002","20.4739","0.0009","90","","95.504","0.002","90","","1130.22","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3,5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0532","0.0385","","","0.0957","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014392","20.8531","0.0005","20.8531","0.0005","6.0377","0.0002","90","","90","","90","","2625.5","0.12","120","2","120","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Benzyl 3,5-dinitrobenzoate?","","- C14 H10 N2 O6 -","- C14 H10 N2 O6 -","- C112 H80 N16 O48 -","8","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0581","0.0432","","","0.0958","0.103","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014393","9.4416","0.0009","9.4416","0.0009","20.213","0.004","90","","90","","90","","1801.9","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","glycine trichloroacetate","Glycinium trichloroacetate","","- C4 H6 Cl3 N O4 -","- C4 H6 Cl3 N O4 -","- C32 H48 Cl24 N8 O32 -","8","2","SK1890","Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.","Glycinium trichloroacetate","Acta Crystallographica Section C","2006","62","2","o71","o72","10.1107/S0108270105040953","","","0.71073","MoKα","","0.0899","0.0451","","","0.1247","0.1454","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014395","5.5718","0.0005","13.4573","0.0017","5.7875","0.0005","90","","109.984","0.006","90","","407.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-1,3,4-thiadiazole","","- C2 H3 N3 S -","- C2 H3 N3 S -","- C8 H12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0656","0.0384","","","0.0935","0.102","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014396","9.1082","0.0012","6.9373","0.001","10.8048","0.0014","90","","116.656","0.009","90","","610.15","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-trifluoromethyl-1,3,4-thiadiazole","","- C3 H2 F3 N3 S -","- C3 H2 F3 N3 S -","- C12 H8 F12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0633","0.0452","","","0.1048","0.1127","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014397","6.6765","0.0004","19.7961","0.0013","9.0675","0.0005","90","","113.595","0.004","90","","1098.25","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Nitrophenylaminocarbonyl)propionic acid","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","SK1893","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(36) rings","Acta Crystallographica Section C","2006","62","1","o45","o46","10.1107/S0108270105040229","","","0.71073","MoKα","","0.0765","0.0435","","","0.1046","0.115","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014398","6.4224","0.0003","7.2115","0.0005","23.6073","0.0016","90","","90","","90","","1093.38","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","SK1894","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K","Acta Crystallographica Section C","2006","62","1","o47","o49","10.1107/S0108270105040230","","","0.71073","MoKα","","0.0627","0.0538","","","0.138","0.1479","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014399","10.131","0.0003","17.2172","0.0006","14.4288","0.0005","90","","103.957","0.002","90","","2442.48","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde benzoylhydrazone","","- C14 H10 F2 N2 O -","- C14 H10 F2 N2 O -","- C112 H80 F16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.0967","0.0527","","","0.1137","0.1303","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014400","10.5093","0.0005","17.6499","0.0009","14.7982","0.0005","90","","104.732","0.002","90","","2654.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichlorobenzaldehyde benzoylhydrazone","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.1182","0.061","","","0.1343","0.155","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014401","16.0941","0.0005","5.5573","0.0002","15.2495","0.0005","90","","96.2994","0.0017","90","","1355.68","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0607","0.0442","","","0.1146","0.1243","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014402","7.9401","0.0002","8.8642","0.0003","11.3717","0.0004","68.771","0.0017","85.792","0.002","72.214","0.002","709.77","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C14 H13 N5 O2 S -","- C14 H13 N5 O2 S -","- C28 H26 N10 O4 S2 -","2","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0662","0.0425","","","0.096","0.1064","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014403","28.007","0.002","7.6637","0.0006","13.3083","0.001","90","","93.937","0.004","90","","2849.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Racemic cis-methoxobis(2-methyl-3-oxo-4H-pyran-4-olato)oxovanadium(V)","","- C13 H13 O8 V -","- C13 H13 O8 V -","- C104 H104 O64 V8 -","8","1","SK1897","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Racemic <i>cis</i>-methoxobis(2-methyl-3-oxo-4<i>H</i>-pyran-4-olato)oxovanadium(V) redetermined at 120K: hydrogen-bonded ribbons containing <i>R</i>~2~^2^(7), <i>R</i>~2~^2^(14) and <i>R</i>~4~^4^(18) rings","Acta Crystallographica Section C","2006","62","3","m116","m118","10.1107/S0108270106003404","","","0.71073","MoKα","","0.1311","0.069","","","0.1344","0.1578","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014404","7.7824","0.0002","8.9623","0.0003","10.5078","0.0004","90","","95.261","0.002","90","","729.81","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine","","- C5 H9 N5 S -","- C5 H9 N5 S -","- C20 H36 N20 S4 -","4","1","SK1899","Cobo, Justo; Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Low, John N.; Glidewell, Christopher","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: π-stacked hydrogen-bonded sheets of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(10) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2006","62","3","o142","o144","10.1107/S0108270106003805","","","0.71073","MoKα","","0.0315","0.0285","","","0.0711","0.0729","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014405","17.859","0.002","17.994","0.002","8.692","0.001","90","","90","","90","","2793.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodocadmate(II)","","- C18 H40 Cd I N3 S4 -","- C18 H40 Cd I N3 S4 -","- C72 H160 Cd4 I4 N12 S16 -","4","0.5","SK3001","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Tetraethylammonium bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocadmate(II)","Acta Crystallographica Section C","2006","62","3","m95","m97","10.1107/S010827010600206X","","","0.71073","MoKα","","0.0564","0.0542","","","0.1162","0.1175","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014406","9.654","0.002","7.769","0.002","5.5692","0.0014","90","","90","","90","","417.7","0.17","174","2","174","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethyldithiocyanatotin(IV)","","- C4 H6 N2 S2 Sn -","- C4 H6 N2 S2 Sn -","- C8 H12 N4 S4 Sn2 -","2","0.25","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0096","0.009","","","0.0223","0.0224","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014407","14.449","0.004","5.5526","0.0014","12.66","0.003","90","","90","","90","","1015.7","0.5","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyltindithiocyanatotin(IV)","","- C6 H10 N2 S2 Sn -","- C6 H10 N2 S2 Sn -","- C24 H40 N8 S8 Sn4 -","4","0.5","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0147","0.0137","","","0.0323","0.0327","","","","","","1.16","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014408","9.0642","0.0003","10.273","0.0003","12.1188","0.0004","108.051","0.017","98.741","0.002","107.517","0.002","985.03","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim picolinate","5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-d-aminopyrimidin-1-ium pyridine-2-carboxylate","","- C20 H23 N5 O5 -","- C20 H23 N5 O5 -","- C40 H46 N10 O10 -","2","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0613","0.0506","","","0.1322","0.1408","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014409","15.7666","0.0004","8.798","0.0001","18.5038","0.0004","90","","102.74","0.001","90","","2503.56","0.09","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","2-amino-4,6-dimethylpyrimidin-1-ium pyridine-2-carboxylate hemihydrate","","- C12 H15 N4 O2.5 -","- C12 H15 N4 O2.5 -","- C96 H120 N32 O20 -","8","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0641","0.0601","","","0.1382","0.143","","","","","","1.255","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014410","10.7871","0.0004","11.8221","0.0004","12.7061","0.0005","91.609","0.002","90.39","0.002","92.774","0.002","1617.77","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-diphenylphosphinato-κ^2^O:O')bis[aqua(diphenylphosphinato- κO)bis(pyridine-κN)cobalt(II)]","","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","1","0.5","SQ1241","Liange de Oliveira Diehl; Márcia R. Siqueira; Robert A. Burrow","Bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(diphenylphosphinato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","2006","62","2","m67","m69","10.1107/S0108270106000680","","","0.71073","MoKα","","0.0565","0.0337","","","0.0843","0.091","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014411","16.7069","0.0007","7.8826","0.0003","21.2218","0.0008","90","","104.129","0.001","90","","2710.23","0.18","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","SQ3001","Sui, Yongqiang; Barnes, Charles; Glaser, Rainer","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","Acta Crystallographica Section C","2006","62","2","o98","o100","10.1107/S0108270106000023","","","0.71073","MoKα","","0.0635","0.0445","","","0.1047","0.1135","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014412","6.3525","0.0008","9.0459","0.0011","10.3907","0.0012","84.282","0.002","72.332","0.002","89.558","0.002","565.94","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(4-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0971","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014413","6.8637","0.0011","8.6257","0.0014","9.9497","0.0016","80.536","0.003","73.444","0.003","77.31","0.003","547.57","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(3-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0711","0.054","","","0.115","0.1249","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014414","11.9816","0.001","12.5387","0.0013","6.4407","0.001","90","","114.621","0.008","90","","879.64","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dimanganese aluminium tris(phosphate)","","- Al0.85 Mn2.48 Na1.5 O12 P3 -","- Al0.854 Mn2.435 Na1.51 O12 P3 -","- Al3.416 Mn9.74 Na6.04 O48 P12 -","4","0.5","TA1500","Hatert, Frédéric","Na~1.50~Mn~2.48~Al~0.85~(PO~4~)~3~, a new synthetic alluaudite-type compound","Acta Crystallographica Section C","2006","62","1","i1","i2","10.1107/S0108270105037236","","","0.71073","MoKα","","0.0403","0.0317","","","0.0717","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014415","16.492","0.003","16.804","0.003","24.519","0.005","90","","109.07","0.03","90","","6422","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-μ-{2-[N,N-bis(2-pyridylmethyl)aminomethyl]-6-[N-(3,5-di-tert- butyl-2-oxidobenzyl)-N-(2-pyridylmethylamino)amino]-4- methylphenolato}dimanganese(II,III) tetraphenylborate","","- C70 H75 B Mn2 N5 O6 -","- C70 H75 B Mn2 N5 O6 -","- C280 H300 B4 Mn8 N20 O24 -","4","1","TA1508","Bortoluzzi, Adailton J.; Neves, Ademir; Couto, Ricardo A. A.; Peralta, Rosely A.","A mixed-valence diacetate-bridged Mn^II^‒Mn^III^ complex incorporating a bridging phenolate ligand","Acta Crystallographica Section C","2006","62","2","m27","m29","10.1107/S0108270105039910","","","0.71073","MoKα","","0.202","0.0522","","","0.1087","0.1272","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014416","17.263","0.002","7.5673","0.0007","10.4757","0.0008","90","","93.128","0.008","90","","1366.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-amino-2-(2-O-methyl-β-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","1","TR1128","Zhang, Xiaomei; Budow, Simone; Leonard, Peter; Eickmeier, Henning; Seela, Frank","<i>N</i>^8^-(2'-<i>O</i>-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate","Acta Crystallographica Section C","2006","62","2","o79","o81","10.1107/S0108270105041983","","","0.71073","MoKα","","0.0371","0.0359","","","0.1064","0.1077","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014417","11.895","0.002","13.124","0.002","15.564","0.003","90","","104.66","0.02","90","","2350.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI)","Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI)","","- C18 H24 Cl2 Mo N2 O6 S2 -","- C18 H24 Cl2 Mo N2 O6 S2 -","- C72 H96 Cl8 Mo4 N8 O24 S8 -","4","1","TY1010","Rufanov, Konstantin A.; Ziemer, Burkhard","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent","Acta Crystallographica Section C","2006","62","2","m54","m55","10.1107/S0108270105042484","","","0.71073","MoKα","","0.0402","0.0307","","","0.0677","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014418","22.749","0.004","9.5867","0.0015","7.9484","0.0014","90","","99.787","0.005","90","","1708.2","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-di-μ~2~- thiocyanato]","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C56 H48 Cd4 N32 S8 -","4","0.5","TY1011","Bao-Zong Li; Xun-Gao Liu; Yan-Fen Peng; Bao-Long Li; Yong Zhang","A novel three-dimensional cadmium(II) coordination polymer incorporating 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2006","62","2","m41","m44","10.1107/S0108270105042125","","","0.71073","MoKα","","0.0252","0.0227","","","0.0549","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014419","7.2985","0.0015","19.4347","0.0019","12.6638","0.0016","90","","93.02","0.001","90","","1793.8","0.5","295","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F2 N2 O2 S -","- C21 H14 F2 N2 O2 S -","- C84 H56 F8 N8 O8 S4 -","4","1","AV1196","Özbey, Süheyla; Gökhan, Nesrin","6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridyl)ethyl]-1,3-benzothiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","10","o737","o739","10.1107/S0108270104019730","","","0.71073","MoKα","","","0.0408","","","","0.1203","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014420","9.983","0.002","31.58","0.006","10.192","0.002","90","","111.55","0.03","90","","2988.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","zafirlukast monohydrate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide monohydrate","","- C31 H35 N3 O7 S -","- C31 H35 N3 O7 S -","- C124 H140 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1102","0.0597","","","0.1621","0.1919","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014421","17.002","0.003","11.111","0.002","17.129","0.003","90","","105.94","0.02","90","","3111.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast methanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide methanol solvate","","- C32 H37 N3 O7 S -","- C32 H37 N3 O7 S -","- C128 H148 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.0949","0.0481","","","0.1148","0.138","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014422","17.216","0.003","11.033","0.002","18.258","0.004","90","","109.47","0.03","90","","3269.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast ethanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide ethanol solvate","","- C33 H39 N3 O7 S -","- C33 H39 N3 O7 S -","- C132 H156 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1523","0.0498","","","0.0962","0.1144","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014423","4.971","0.002","6.558","0.003","17.274","0.008","86.009","0.009","86.729","0.008","72.526","0.008","535.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)cobalt(II) 4,4'-bipyridine solvate","","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","1","0.5","AV1204","Yu-Ling Wang; Rong Cao; Wen-Hua Bi","<i>trans</i>-Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 4,4'-bipyridine solvate","Acta Crystallographica Section C","2004","60","12","m609","m611","10.1107/S0108270104024783","","","0.71073","MoKα","","0.0357","0.0342","","","0.0851","0.0864","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014424","8.4069","0.0009","11.71","0.001","8.1075","0.0009","90","","90","","90","","798.14","0.14","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium [tris(μ~2~-formato-κ^2^O:O')cobalt(II)]]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","AV1205","Boča, Miroslav; Ingrid Svoboda; Franz Renz; Hartmut Fuess","Poly[methylammonium tris(μ~2~-formato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","Acta Crystallographica Section C","2004","60","12","m631","m633","10.1107/S0108270104025776","","","0.71073","MoKα","","0.0869","0.0494","","","0.1336","0.1595","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014425","29.5645","0.0013","18.0613","0.0007","6.5961","0.0003","90","","90","","90","","3522.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)copper(II)]-di-μ~2~,μ~4~-5-nitro- 1,3-benzenedicarboxylato]","","- C40 H24 N6 Ni2 O13 -","- C40 H24 N6 Ni2 O13 -","- C160 H96 N24 Ni8 O52 -","4","0.5","AV1206","He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato]","Acta Crystallographica Section C","2004","60","11","m569","m571","10.1107/S0108270104023431","","","0.71073","MoKα","","0.0526","0.0484","","","0.1051","0.1075","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014426","12.3982","0.0005","7.1029","0.0003","14.8428","0.0006","90","","108.969","0.001","90","","1236.12","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(η^6^-Biphenyl)tricarbonylchromium","","- C15 H10 Cr O3 -","- C15 H10 Cr O3 -","- C60 H40 Cr4 O12 -","4","1","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0266","0.025","","","0.0705","0.0719","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014427","10.7256","0.0012","10.6894","0.0012","7.1789","0.0008","90","","104.875","0.002","90","","795.48","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-(η^6^:η^6^)-biphenyl]bis(tricarbonylchromium)","","- C18 H10 Cr2 O6 -","- C18 H10 Cr2 O6 -","- C36 H20 Cr4 O12 -","2","0.5","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0344","0.0323","","","0.0892","0.0911","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014428","10.1055","0.0009","11.6854","0.0011","15.7236","0.0014","90","","102.415","0.002","90","","1813.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridine-κN)copper(II)]-μ~3~-5-hydroxyisophthalato-k^3^O:O':O'']","","- C18 H14 Cu N2 O5 -","- C18 H14 Cu N2 O5 -","- C72 H56 Cu4 N8 O20 -","4","1","AV1213","Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Poly[[bis(pyridine-κ<i>N</i>)copper(II)]-μ~3~-5-hydroxyisophthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","12","m654","m656","10.1107/S0108270104027660","","","0.71073","MoKα","","","0.0712","","","0.1699","0.1924","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014429","6.1463","0.0012","6.3856","0.0013","6.3894","0.0013","92.52","0.03","107.65","0.03","108.29","0.03","224.19","0.1","293","2","200","2","","","","","","","","3","P -1","-P 1","2","ν-dysprosium orthoborate","Dysprosium borate","","- B Dy O3 -","- B Dy O3 -","- B4 Dy4 O12 -","4","2","BC1055","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of ν-DyBO~3~","Acta Crystallographica Section C","2004","60","12","i117","i119","10.1107/S0108270104024205","","","0.71073","MoKα","","0.0293","0.0218","","","0.0498","0.0513","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014430","9.1067","0.0011","10.9344","0.0013","10.4425","0.0013","90","","107.602","0.002","90","","991.1","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')cobalt(II) dinitrate","","- C12 H24 Co N10 O8 -","- C12 H24 Co N10 O8 -","- C24 H48 Co2 N20 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.0273","0.0268","","0.062","0.062","0.062","","","","","","0.9832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014431","9.077","0.003","10.866","0.004","10.456","0.003","90","","107.251","0.015","90","","984.9","0.6","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')nickel(II) dinitrate","","- C12 H24 N10 Ni O8 -","- C12 H24 N10 Ni O8 -","- C24 H48 N20 Ni2 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.029","0.0263","","0.0648","0.0623","0.0623","","","","","","0.9759","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014434","8.909","0.0012","7.184","0.0008","10.494","0.0011","90","","98.83","0.009","90","","663.68","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Mikanolide","7,10a-dimethyl-1a,1b,2a,6a,7,9a,10,10a-octahydro-4H-6,3- methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione or 1,10:2,3-diepoxy-6,8-dihydroxygermacr-4-ene-11-vinyl-12,14- di-γ-lactone","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","BM1574","Bakir, Mohammed; Facey, Petrea C.; Hassan, Ishmael; Mulder, Willem H.; Porter, Roy B.","Mikanolide from Jamaican <i>Mikania micrantha</i>","Acta Crystallographica Section C","2004","60","11","o798","o800","10.1107/S0108270104017809","","","0.71073","MoKα","","0.0457","0.0369","","","0.0931","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014435","9.733","0.005","6.725","0.003","17.066","0.009","90","","102.922","0.008","90","","1088.8","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cu N O3 -","- C11 H8 Br Cu N O3 -","- C44 H32 Br4 Cu4 N4 O12 -","4","1","BM1576","Wang, Yu-Hong; Lū, Fang","A one-dimensional carboxylate-bridged helical copper(II) complex containing (quinolin-8-yloxy)acetate","Acta Crystallographica Section C","2004","60","11","m557","m559","10.1107/S0108270104022048","","","0.71073","MoKα","","0.0701","0.0631","","","0.149","0.154","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014436","10.6025","0.0011","11.9199","0.0012","12.418","0.0013","64.611","0.002","82.672","0.002","66.33","0.002","1296.7","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemethanol","","- C29 H40 O4 -","- C29 H40 O4 -","- C58 H80 O8 -","2","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0885","0.0572","","","0.1512","0.1729","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014437","16.2931","0.001","10.1951","0.0006","16.4318","0.001","90","","108.367","0.001","90","","2590.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0571","0.0431","","","0.1108","0.1226","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014438","12.793","0.0007","12.793","0.0007","24.158","0.002","90","","90","","90","","3953.7","0.4","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-di-tert-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0718","0.0433","","","0.0993","0.1203","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014439","26.809","0.002","8.4543","0.0007","21.372","0.0018","90","","120.618","0.001","90","","4168.7","0.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2'‒Dihydroxy‒5,5'‒di‒tert‒butyl‒3,3'‒ methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0902","0.0471","","","0.1053","0.1316","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014440","19.9772","0.0014","19.9588","0.0014","15.6622","0.0011","90","","93.014","0.004","90","","6236.2","0.8","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Quinoline-2(1H)-thione","","- C9 H7 N S -","- C9 H7 N S -","- C288 H224 N32 S32 -","32","8","BM1582","Kuś, Piotr; Jones, Peter G.","Quinoline-2(1<i>H</i>)-thione, a structure with <i>Z</i>' = 8","Acta Crystallographica Section C","2004","60","12","o865","o867","10.1107/S0108270104025636","","","0.71073","MoKα","","0.0453","0.0339","","","0.074","0.0778","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014441","6.2478","0.0004","12.6754","0.0008","15.4525","0.0008","96.52","0.004","95.9","0.004","103.883","0.004","1169.53","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","3-bromopyridinium tribromoacetate","","- C7 H5 Br4 N O2 -","- C7 H5 Br4 N O2 -","- C28 H20 Br16 N4 O8 -","4","2","BM1583","Jones, Peter G.; Lozano, Virginia","Secondary interactions in 3-bromopyridinium tribromoacetate","Acta Crystallographica Section C","2004","60","12","o876","o878","10.1107/S0108270104024977","","","0.71073","MoKα","","0.0455","0.0284","","","0.0537","0.056","","","","","","0.923","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014442","8.8919","0.0018","11.08","0.002","18.579","0.004","90","","92.4","0.03","90","","1828.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethylenediammonium decaaquadisodium decavanadate","","- C4 H40 N4 Na2 O38 V10 -","- C4 H40 N4 Na2 O38 V10 -","- C8 H80 N8 Na4 O76 V20 -","2","0.5","BM1587","Guo-Bao Li; Si-Hai Yang; Ming Xiong; Jian-Hua Lin","Bis(ethylenediammonium) decaaquadisodium decavanadate, (C~2~H~10~N~2~)~2~[Na~2~(H~2~O)~10~][V~10~O~28~]","Acta Crystallographica Section C","2004","60","12","m612","m614","10.1107/S0108270104025648","","","0.71073","MoKα","","0.0475","0.0387","","","0.114","0.119","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014443","9.081","0.002","10.671","0.003","12.415","0.003","95.131","0.004","98.598","0.004","98.689","0.004","1168.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetra-n-butylammonium) (μ-N,N'-diselenium dinitride)bis[tribromopalladate(II)]","","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","1","0.5","BM1591","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; James, Sarah L. M.; Kelly, Paul F.","Bis(tetra-<i>n</i>-butylammonium) (μ-<i>N</i>,<i>N</i>'-diselenium dinitride)bis[tribromopalladate(II)]","Acta Crystallographica Section C","2004","60","12","m643","m644","10.1107/S0108270104027040","","","0.71073","MoKα","","0.074","0.0504","","","0.121","0.131","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014444","6.775","0.002","10.762","0.003","14.731","0.004","90","","92.561","0.004","90","","1073","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethylbiguanidium oxalate hydrate","","- C6 H15 N5 O5 -","- C6 H15 N5 O5 -","- C24 H60 N20 O20 -","4","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0695","0.0459","","","0.0923","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014445","7.056","0.003","8.862","0.004","9.462","0.004","99.83","0.006","96.02","0.007","110.099","0.007","538.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethylbiguanidium sulfate hydrate","","- C4 H15 N5 O5 S -","- C4 H15 N5 O5 S -","- C8 H30 N10 O10 S2 -","2","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0553","0.0442","","","0.126","0.1619","","","","","","1.181","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014447","3.683","0.001","21.856","0.004","11.296","0.003","90","","96.32","0.02","90","","903.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(tropolonato)rhodium(I)","","- C9 H5 O4 Rh -","- C9 H5 O4 Rh -","- C36 H20 O16 Rh4 -","4","1","DE1251","Steyl, Gideon; Roodt, Andreas; Kruger, Gert J.","Dicarbonyl(tropolonato)rhodium(I), a redetermination","Acta Crystallographica Section C","2004","60","10","m473","m475","10.1107/S0108270104019304","","","0.71069","MoKα","","0.1121","0.0512","","","0.0992","0.1196","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014448","9.8044","0.0007","21.3628","0.0013","29.2053","0.0015","90","","90","","90","","6117","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene","","- C30 H25 Cl N3 O5 P3 -","- C30 H25 Cl N3 O5 P3 -","- C240 H200 Cl8 N24 O40 P24 -","8","1","DN1053","Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives","Acta Crystallographica Section C","2004","60","10","o751","o753","10.1107/S0108270104018190","","","0.71073","MoKα","","0.123","0.0512","","","0.1251","0.1534","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014449","10.7136","0.0005","12.6846","0.0008","13.1078","0.0009","90","","90","","90","","1781.32","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","catharanthinol","catharanthinol methanol solvate","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0509","0.0407","","","0.0845","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014450","10.6728","0.0004","12.0168","0.0006","12.8132","0.0007","90","","90","","90","","1643.33","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dihydrocatharanthinol","dihydrocatharanthinol monohydrate","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0424","0.0353","","","0.0839","0.0882","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014451","17.326","0.005","12.054","0.005","10.125","0.005","90","","116.27","0.01","90","","1896.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaene]iron(II)","","- C17 H23 Fe N5 O3 -","- C17 H23 Fe N5 O3 -","- C68 H92 Fe4 N20 O12 -","4","0.5","DN1065","Philippe Guionneau; José Sánchez Costa; Jean-François Létard","Revisited crystal symmetry of the high-spin form of the iron(II) spin-crossover complex dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]iron(II) monohydrate","Acta Crystallographica Section C","2004","60","11","m587","m589","10.1107/S010827010402445X","","","0.71069","MoKα","","0.0541","0.0382","","","0.0858","0.0935","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014452","5.291","0.0013","10.118","0.003","12.895","0.005","109.44","0.03","98.64","0.02","99.57","0.02","626","0.4","293","2","","","","","","","","","","4","P -1","-P 1","2","Sodium trihydrogen bis(cyclopropane-1,1-dicarboxylate) monohydrate","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","","- C10 H13 Na O9 -","- C10 H13 Na O9 -","- C20 H26 Na2 O18 -","2","1","DN1070","Muir, Kenneth W.; Macdonald, Alistair; Macdonald, Alan","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","Acta Crystallographica Section C","2004","60","12","m645","m647","10.1107/S0108270104027052","","","0.71073","MoKα","","","0.051","","","","0.15","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014453","7.8752","0.0006","4.7971","0.0002","14.0735","0.0006","90","","95.835","0.007","90","","528.92","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphatotetrazinc]","","- C2 H4 O14 P2 Zn4 -","- C2 H4 O14 P2 Zn4 -","- C4 H8 O28 P4 Zn8 -","2","0.5","FA1070","You-Ju Zhong; Yan-Qiong Sun; Guo-Yu Yang","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphato-tetrazinc]","Acta Crystallographica Section C","2004","60","10","m504","m506","10.1107/S0108270104020268","","","0.7107","MoKα","","0.0258","0.0228","","","0.0627","0.066","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014454","14.9903","0.0017","15.3555","0.0018","21.022","0.003","90","","90","","90","","4838.9","1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido-κN^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C26 H16 Cl Cu N7 O4 -","- C26 H16 Cl Cu N7 O4 -","- C208 H128 Cl8 Cu8 N56 O32 -","8","1","FA1074","Burčák, Milan; Potočňák, Ivan; Baran, Peter; Jäger, Lothar","Low-dimensional compounds containing cyano groups. X. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section C","2004","60","12","m601","m604","10.1107/S0108270104018244","","","0.71073","MoKα","","0.1348","0.0569","","","0.131","0.1691","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014455","10.5927","0.0013","12.0359","0.0015","12.1655","0.0015","107.09","0.002","110.399","0.002","93.876","0.002","1364.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium dihydrate]","","- C20 H22 Cu2 N5 O15 P2 V -","- C20 H22 Cu2 N5 O15 P2 V -","- C40 H44 Cu4 N10 O30 P4 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.0697","0.0429","","","0.0782","0.0854","","","","","","0.829","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014456","9.8343","0.0013","10.4632","0.0014","14.321","0.0019","72.07","0.002","89.9","0.002","80.651","0.002","1381.6","0.3","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium phosphoric acid solvate]","","- C20 H21 Cu2 N5 O17 P3 V -","- C20 H21 Cu2 N5 O17 P3 V -","- C40 H42 Cu4 N10 O34 P6 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.1052","0.0469","","","0.0992","0.1606","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014457","10.0637","0.0005","11.1455","0.0008","17.5089","0.0009","90","","103.046","0.004","90","","1913.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-poly[trans-bis[N-(2-hydroxyethyl)ethylenediamine]cadmium(II)-μ-cyano- dicyanonickelate(II)-μ-cyano]","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-trans-bis[N-(2- hydroxyethyl)ethane-1,2-diamine-2κ^2^N,N']cadmium(II)nickel(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cd N8 Ni O2 -","- C12 H24 Cd N8 Ni O2 -","- C48 H96 Cd4 N32 Ni4 O8 -","4","0.5","FA1079","Karadağ, Ahmet; Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Büyükgüngör, Orhan","Polymeric μ-cyano-dicyanonickelate(II)-μ-cyano-<i>trans</i>-bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine]cadmium(II)","Acta Crystallographica Section C","2004","60","11","m581","m583","10.1107/S0108270104021493","","","0.71073","MoKα","","0.0187","0.0162","","","0.0352","0.0358","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014458","19.5886","0.0014","13.8924","0.0009","8.3714","0.0003","90","","90","","90","","2278.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(1-methylpyrrol-2-yl)methylidene]-2,3-dihydro-1H-isoindol-2-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","FA1085","Bonnett, Raymond; Motevalli, Majid; Swanson,Fiona J.; Vallés, María Asunción","11-Methyl-2,3-benzodipyrrin-1-one","Acta Crystallographica Section C","2004","60","12","o890","o892","10.1107/S0108270104026708","","","0.71073","MoKα","","0.1171","0.0542","","","0.1093","0.1301","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014459","3.9541","0.0005","37.484","0.005","7.7173","0.0009","90","","99.338","0.002","90","","1128.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Acetamido-4-p-tolyl-1,3-thiazole","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.6894","synchrotron","","0.0776","0.0491","","","0.1147","0.126","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014460","6.8815","0.0006","9.3072","0.0014","19.499","0.003","90","","90","","90","","1248.9","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-amino-4-tolyl-1,3-thiazolium chloride dihydrate","","- C10 H15 Cl N2 O2 S -","- C10 H15 Cl N2 O2 S -","- C40 H60 Cl4 N8 O8 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.71073","MoKα","","0.0969","0.0628","","","0.1383","0.1523","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014461","6.457","0.003","25.594","0.007","7.111","0.003","90","","106.488","0.003","90","","1126.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(benzoato-κO)silver(I)]-μ-2-aminopyrimidine-κ^2^N^1^:N^3^]","","- C11 H10 Ag N3 O2 -","- C11 H10 Ag N3 O2 -","- C44 H40 Ag4 N12 O8 -","4","1","FA1091","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[(benzoato-κ<i>O</i>)silver(I)]-μ-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","12","m623","m624","10.1107/S0108270104024424","","","0.71073","MoKα","","0.0729","0.0574","","","0.1191","0.1249","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014462","8.2442","0.0014","9.4534","0.0016","9.5475","0.0015","92.594","0.003","94.243","0.003","100.571","0.003","728.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Thiodipyridinium tetrachlorocopper(II)","","- C10 H10 Cl4 Cu N2 S -","- C10 H10 Cl4 Cu N2 S -","- C20 H20 Cl8 Cu2 N4 S2 -","2","1","FA1093","Yi-Hang Wen; Jian-Kai Cheng; Jian Zhang; Zhao-Ji Li; Yuan-Gen Yao","4,4'-Thiodipyridinium tetrachlorocopper(II)","Acta Crystallographica Section C","2004","60","12","m618","m619","10.1107/S0108270104026332","","","0.71073","MoKα","","","0.0737","","","0.1483","0.1781","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014463","18.816","0.005","6.645","0.003","19.12","0.02","90","","101.77","0.03","90","","2340","3","298","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(cumylcyclopentadienyl) dichlorotitanium(IV)","","- C28 H30 Cl2 Ti -","- C28 H30 Cl2 Ti -","- C112 H120 Cl8 Ti4 -","4","0.5","FA1100","Roberto Centore; Zsolt Csok; Angela Tuzi","Dichlorobis(cumylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","2004","60","12","m625","m627","10.1107/S0108270104026344","","","0.71069","Mokα","","0.0643","0.046","","","0.1178","0.1279","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014464","13.3571","0.0012","10.7473","0.001","15.7604","0.0015","90","","90.914","0.004","90","","2262.2","0.4","150","1","150","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1H-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","FG1761","Grzyb, Justyna A.; Lough, Alan J.; Batey, Robert A.","1<i>H</i>-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","Acta Crystallographica Section C","2004","60","10","o730","o732","10.1107/S0108270104019195","","","0.71073","MoKα","","0.1003","0.0487","","","0.0999","0.1219","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014465","10.328","0.0012","13.2177","0.0014","13.1813","0.0016","90","","90","","90","","1799.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[diaquacadmium(II)]-μ-5-carboxy-1H-imidazole-4-carboxylato- κ^4^N^3^,O^4^:O^5^,N^1^]","","- C5 H6 Cd N2 O6 -","- C5 H6 Cd N2 O6 -","- C40 H48 Cd8 N16 O48 -","8","1","FG1767","Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","11","m590","m591","10.1107/S0108270104024692","","","0.7107","MoKα","","0.0839","0.0511","","","0.1049","0.1201","","","","","","1.184","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014466","14.5787","0.0006","11.7099","0.0003","16.7701","0.0008","90","","109.691","0.002","90","","2695.5","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^N}(2,2-methylenediphenolato- κ^2^O,O')dioxouranium(VI) acetone solvate","","- C27 H35 N3 O5 U -","- C27 H35 N3 O5 U -","- C108 H140 N12 O20 U4 -","4","1","FG1769","Masci, Bernardo; Thuéry, Pierre","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^<i>N</i>}(2,2-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI) acetone solvate","Acta Crystallographica Section C","2004","60","11","m584","m586","10.1107/S010827010402431X","","","0.71073","MoKα","","0.0474","0.0311","","","0.0654","0.0709","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014467","7.8033","0.0002","15.1425","0.0005","12.7301","0.0003","90","","106.305","0.002","90","","1443.71","0.07","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN](perchlorato- κO)copper(II)}","","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C44 H36 Br4 Cl4 Cu4 N20 O16 -","2","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.1135","0.0503","","","0.1035","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014468","11.0056","0.0002","7.894","0.0001","15.237","0.0002","90","","93.856","0.001","90","","1320.77","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo[2,6-bis(pyrazol-1-yl)pyridine]copper(II)","","- C11 H9 Br2 Cu N5 -","- C11 H9 Br2 Cu N5 -","- C44 H36 Br8 Cu4 N20 -","4","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.0321","0.0225","","","0.0514","0.0549","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014469","11.0642","0.0012","11.0554","0.0012","14.3447","0.0015","90","","98.754","0.002","90","","1734.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(N,N-diethylamino)-2,2'-bipyridine","","- C18 H26 N4 -","- C18 H26 N4 -","- C72 H104 N16 -","4","1","FG1772","Pablo Alborés; Luis M. Baraldo; Ibañez, Andrés; Ricardo Baggio","4,4'-Bis(<i>N</i>,<i>N</i>-diethylamino)-2,2'-bipyridine","Acta Crystallographica Section C","2004","60","12","o850","o852","10.1107/S0108270104025077","","","0.71073","MoKα","","0.1358","0.0675","","","0.1375","0.1726","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014470","7.9623","0.0001","8.9487","0.0001","21.887","0.001","90","","96","0.001","90","","1550.95","0.08","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-nicotinato- κ^2^N:O]","","- C16 H13 Ag N4 O2 -","- C16 H13 Ag N4 O2 -","- C64 H52 Ag4 N16 O8 -","4","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.03","0.0239","","","0.0539","0.0547","","","","","","0.904","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014471","7.56","0.01","9.23","0.01","12.01","0.02","71.29","0.05","82.87","0.05","87.44","0.05","787.6","1.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-2,6-dihydroxybenzoato- κ^2^O^1^:O^2^]","","- C17 H14 Ag N3 O4 -","- C17 H14 Ag N3 O4 -","- C34 H28 Ag2 N6 O8 -","2","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.0665","0.0504","","","0.145","0.1533","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014472","6.694","0.0003","13.8197","0.0007","9.1759","0.0005","90","","97.609","0.001","90","","841.38","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-bis(N,N- dimethylethylenediamine-2κ^2^N,N')palladium(II)copper(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cu N8 Pd -","- C12 H24 Cu N8 Pd -","- C24 H48 Cu2 N16 Pd2 -","2","0.5","FR1492","Juraj Kuchár; Juraj Černák; Abboud, Khalil A.","The one-dimensional structure of Cu(dmen)~2~Pd(CN)~4~ (dmen is <i>N</i>,<i>N</i>-dimethylethylenediamine)","Acta Crystallographica Section C","2004","60","10","m492","m494","10.1107/S0108270104019146","","","0.71073","MoKα","","0.0203","0.0159","","","0.0393","0.0412","","","","","","1.097","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014477","7.642","0.004","16.635","0.003","17.354","0.003","90","","101.2","0.02","90","","2164.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridyl-κ^2^N,N')bis(salicylato-κ^2^O,O')zinc(II)","","- C24 H18 N2 O6 Zn -","- C24 H18 N2 O6 Zn -","- C96 H72 N8 O24 Zn4 -","4","1","GA1065","Lemoine, Pascale; Bendada, Karima; Viossat, Bernard","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(salicylato-κ^2^<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2004","60","10","m489","m491","10.1107/S0108270104016956","","","0.71073","MoKα","","0.0925","0.0375","","","0.091","0.1063","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014478","21.395","0.008","9.463","0.005","15.571","0.007","90","","113.99","0.03","90","","2880","2","298","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C120 H104 Cl16 N8 O8 -","8","1","GA1070","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Racemic 3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","Acta Crystallographica Section C","2004","60","11","o801","o802","10.1107/S0108270104017354","","","0.7107","MoKα","","","0.0505","","","","0.1804","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014479","6.1333","0.0002","11.478","0.0005","35.447","0.002","90","","90","","90","","2495.4","0.2","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzyloxy-16-[(N-methyl-N-phenylamino)methylidene]oestra-1,3,5(10)-trien- 17-one","","- C33 H35 N O2 -","- C33 H35 N O2 -","- C132 H140 N4 O8 -","4","1","GA1072","Matsumoto, Taisuke; Watanabe, Masataka; Matsumoto, Tomohiro; Mataka, Shuntaro; Thiemann, Thies","3-Benzyloxy-16-[(<i>N</i>-methyl-<i>N</i>-phenylamino)methylidene]estra-1,3,5(10)-trien-17-one","Acta Crystallographica Section C","2004","60","11","o813","o814","10.1107/S0108270104022711","","","0.7107","MoKα","","","0.034","","","","0.062","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014480","5.5805","0.0005","8.9808","0.0009","21.955","0.002","90","","94.976","0.003","90","","1096.18","0.18","193","2","193","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[4-[(4-aminophenyl)methyl]benzenamine]-bis(2,4-pentanedionato)Cobalt(II)","catena-Poly[(μ-4,4'-diaminodiphenylmethane-κ^2^N:N')bis(2,4-pentanedionato- κ^2^O,O')cobalt(II)]","","- C23 H28 Co N2 O4 -","- C23 H28 Co N2 O4 -","- C46 H56 Co2 N4 O8 -","2","0.5","GA1073","Zhi, Xin-Lei; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-methylenedianiline-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m554","m556","10.1107/S0108270104022073","","","0.7107","MoKα","","0.0334","0.0306","","","0.0721","0.0739","","","","","","1.107","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014481","8.2682","0.0017","20.593","0.004","8.3738","0.0017","90","","103.273","0.004","90","","1387.7","0.5","193.15","","193.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diazidocobalt(II)]-di-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ^2^N^4^:N^4'^]","","- C24 H24 Co N18 -","- C24 H24 Co N18 -","- C48 H48 Co2 N36 -","2","0.5","GA1074","Li, Bao-Zong; Peng, Yan-Fen; Zhang, Yu-Ping; Li, Bao-Long; Zhang, Yong","A novel two-dimensional cobalt(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene","Acta Crystallographica Section C","2004","60","11","m560","m562","10.1107/S0108270104022863","","","0.71073","MoKα","","0.053","0.0439","","","0.1015","0.1063","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014482","6.486","0.0013","9.253","0.0019","10.621","0.002","76.58","0.03","83.52","0.03","83.5","0.03","613.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ-thiosulfato]","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C24 H16 Cd2 N4 O6 S4 -","2","1","GA1075","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","A new binding mode for thiosulfate in six-coordinate poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2004","60","10","m495","m497","10.1107/S0108270104019638","","","0.71073","MoKα","","0.1052","0.0365","","","0.0833","0.0971","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014483","11.315","0.002","7.891","0.0016","20.356","0.004","90","","92.87","0.03","90","","1815.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidone","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1864","0.0476","","","0.0974","0.1276","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014484","15.03","0.003","8.002","0.0016","16.585","0.003","90","","100.81","0.03","90","","1959.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride","","- C22 H24 Cl N O3 -","- C22 H24 Cl N O3 -","- C88 H96 Cl4 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1326","0.0485","","","0.1106","0.1363","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014485","9.3059","0.001","9.4966","0.001","10.5689","0.001","92.544","0.001","99.256","0.001","104.917","0.001","887.18","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","","- C19 H17 N5 S -","- C19 H17 N5 S -","- C38 H34 N10 S2 -","2","1","GA1079","Varughese Philip; V. Suni; M. R. Prathapachandra Kurup","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","Acta Crystallographica Section C","2004","60","12","o856","o858","10.1107/S0108270104025235","","","0.71073","MoKα","","0.0708","0.0368","","","0.0919","0.1035","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014486","5.5634","0.0003","17.0558","0.0009","16.6859","0.0009","90","","96.744","0.001","90","","1572.34","0.15","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenyl-L-isoleucine","","- C15 H23.76 N2 O3.88 -","- C15 H23.763 N2 O3.8815 -","- C60 H95.052 N8 O15.526 -","4","2","GA1081","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-isoleucine 0.88-hydrate","Acta Crystallographica Section C","2004","60","11","o810","o812","10.1107/S0108270104022851","","","0.71073","MoKα","","0.0323","0.0294","","","0.0745","0.0765","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014488","14.18","0.002","16.076","0.002","18.413","0.002","90","","90","","90","","4197.4","0.9","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one","","- C24 H18 Br N3 O2 -","- C24 H18 Br N3 O2 -","- C192 H144 Br8 N24 O16 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0531","","","","0.1051","","","","","","1.004","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014489","35.375","0.003","9.2","0.001","12.807","0.002","90","","94.81","0.01","90","","4153.4","0.9","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Bromo-1,9-diphenyl-4-(4-methoxy-phenyl)-7-oxa-1,2,8-triazaspiro[4.4]nona- 2,8-dien-6-one","","- C24 H18 Br N3 O3 -","- C24 H18 Br N3 O3 -","- C192 H144 Br8 N24 O24 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0673","","","","0.2001","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014490","16.735","0.001","21.454","0.002","14.254","0.001","90","","100.498","0.006","90","","5032","0.7","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-bromo-4-(4-chlorophenyl)-1,7,9-triphenyl-1,2,7,8-tetraazaspiro[4.4]nona- 2,8-dien-6-one","","- C29 H20 Br Cl N4 O -","- C29 H20 Br Cl N4 O -","- C232 H160 Br8 Cl8 N32 O8 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","0.1135","0.0491","","","0.0803","0.1039","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014491","10.107","0.001","13.578","0.003","19.146","0.003","90","","98.5","0.01","90","","2598.6","0.8","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-1,7,9-triphenyl-4-p-tolyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one","","- C30 H22.89 Br1.11 N4 O -","- C30 H22.89 Br1.11 N4 O -","- C120 H91.56 Br4.44 N16 O4 -","4","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.057","","","","0.1487","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014492","13.0883","0.0006","9.7883","0.0005","17.997","0.0009","90","","102.5","0.002","90","","2250.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(benzoylmethylene)triphenylphosphorane‒fumaric acid (2/1)","","- C28 H23 O3 P -","- C28 H23 O3 P -","- C112 H92 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0482","0.038","","","0.0968","0.1042","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014493","10.09","0.0006","17.9737","0.0009","13.1613","0.0007","90","","92.048","0.002","90","","2385.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(benzoylmethylene)triphenylphosphorane‒terephthalic acid (2/1)","","- C30 H24 O3 P -","- C30 H24 O3 P -","- C120 H96 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0578","0.0414","","","0.1007","0.1107","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014494","5.644","0.001","9.682","0.002","15.662","0.003","90","","95.23","0.02","90","","852.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitroanilinium nitrate","p-nitroanilinium nitrate","","- C6 H7 N3 O5 -","- C6 H7 N3 O5 -","- C24 H28 N12 O20 -","4","1","GD1344","Genivaldo Julio Perpétuo; Jan Janczak","4-Nitroanilinium nitrate","Acta Crystallographica Section C","2004","60","10","o768","o770","10.1107/S0108270104021122","","","0.71073","MoKα","","0.0583","0.0407","","","0.1017","0.1132","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014495","10.903","0.002","13.068","0.002","24.4","0.004","90","","90","","90","","3476.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kd-e-3-19 dmso","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethyl sulfoxide disolvate","","- C36 H40 O12 S2 -","- C36 H40 O12 S2 -","- C144 H160 O48 S8 -","4","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0411","0.037","","","0.0951","0.0986","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014496","8.2","0.0007","16.2132","0.0014","11.6706","0.001","90","","97.244","0.001","90","","1539.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","kd-e-3-19 dmf","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethylformamide solvate","","- C35 H35 N O11 -","- C35 H35 N O11 -","- C70 H70 N2 O22 -","2","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0432","0.0419","","","0.1144","0.1158","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014497","9.924","0.002","13.345","0.003","14.467","0.003","90","","90","","90","","1915.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 P Re -","- C20 H20 O4 P Re -","- C80 H80 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0259","0.0224","","","0.0394","0.0402","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014498","10.116","0.003","15.478","0.003","12.748","0.003","90","","96.62","0.03","90","","1982.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I O4 P Re -","- C19 H17 I O4 P Re -","- C76 H68 I4 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0295","0.0226","","","0.0543","0.0558","","","","","","1.086","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014499","8.3609","0.0004","7.9369","0.0004","15.8259","0.0007","90","","104.689","0.001","90","","1015.88","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ethylenediamine zinc hydrogen phosphite","poly[dizinc(II)-μ-ethylenediamine-di-μ-(hydrogen phosphito)]","","- C2 H10 N2 O6 P2 Zn2 -","- C2 H10 N2 O6 P2 Zn2 -","- C8 H40 N8 O24 P8 Zn8 -","4","1","GG1223","Gordon, Laura E.; Harrison, William T. A.","β-[H~2~N(CH~2~)~2~NH~2~]~0.5~[ZnHPO~3~], a second modification of ethylenediamine zinc hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m637","m639","10.1107/S0108270104027039","","","0.71073","MoKα","","0.0682","0.0641","","","0.1697","0.1709","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014500","12.2569","0.0006","12.5985","0.0006","16.8506","0.0009","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,3-benzenediol (orcin) 1,4-diazabicyclo[2.2.2]octane (1/1)","","- C13 H20 N2 O2 -","- C13 H20 N2 O2 -","- C104 H160 N16 O16 -","8","2","HJ1016","Jin, Zhi-Min; Lin, Chen-Shui; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","The 1:1 adduct of 5-methylbenzene-1,3-diol (orcin) and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2004","60","10","o765","o767","10.1107/S0108270104021936","","","0.71073","MoKα","","0.0641","0.0536","","","0.145","0.1569","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014501","6.0553","0.0002","8.2433","0.0003","9.9694","0.0001","111.733","0.002","94.984","0.002","93.813","0.002","457.88","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[aquaneodymium(III)-μ~5~-2-hydroxy-5-sulfonatobenzoato]","","- C7 H5 Nd O7 S -","- C7 H5 Nd O7 S -","- C14 H10 Nd2 O14 S2 -","2","1","HJ1019","Wang, Xiao-Qin; Zhang, Jian; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Yao, Yuan-Gen","Poly[aquaneodymium(III)-μ~5~-2-oxido-5-sulfonatobenzoato]","Acta Crystallographica Section C","2004","60","12","m657","m658","10.1107/S0108270104022280","","","0.71073","MoKα","","","0.0293","","","0.0775","0.0794","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014502","13.2692","0.0011","9.1898","0.0008","13.5155","0.0011","90","","107.542","0.002","90","","1571.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[copper(II)-di-μ-5-aminoisophthalato(1-)-κ^4^N:O] monohydrate]","","- C16 H14 Cu N2 O9 -","- C16 H14 Cu N2 O9 -","- C64 H56 Cu4 N8 O36 -","4","0.5","HJ1020","Liao, Qiu-Xia; Li, Zhao-Ji; Zhang, Jian; Kang, Yao; Dai, Yu-Mei; Yao, Yuan-Gen","Poly[[copper(II)-di-μ-5-aminoisophthalato(1‒)-κ^4^<i>N</i>:<i>O</i>] monohydrate]","Acta Crystallographica Section C","2004","60","10","m509","m511","10.1107/S0108270104020426","","","0.71073","MoKα","","","0.053","","","0.1222","0.1359","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014503","7.228","0.005","10.834","0.007","12.831","0.008","100.09","0.01","99.83","0.01","95.63","0.01","966.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4-Bromo-2-[2-(5-bromo-2- oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato- κ^4^O,N,N',O'}nickel(II)","","- C21 H14 Br2 N2 Ni O2 -","- C21 H14 Br2 N2 Ni O2 -","- C42 H28 Br4 N4 Ni2 O4 -","2","1","HJ1022","Santu Chakraborty; B. Samanta; C. R. Chowdhury; S. Mitra; Alok K. Mukherjee","{4-Bromo-2-[2-(5-bromo-2-oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2004","60","11","m578","m580","10.1107/S0108270104022899","","","0.71073","MoKα","","0.0476","0.0331","","","0.0759","0.0816","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014504","13.2233","0.0008","14.6535","0.0011","16.7275","0.0012","97.085","0.002","104.69","0.002","101.691","0.003","3017.6","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[[[acetonitrilesilver(I)]-di-μ-4-[N- (diphenylphosphino)aminomethyl]pyridine-κ^2^N^1^:P;κ^2^P:N^1^- [acetonitrilesilver(I)]-μ~3~- 4-[N,N-bis(diphenylphosphino)aminomethyl]pyridine-κ^3^N^1^:P:P'- bis[acetonitrilesilver(I)(Ag—Ag)]-μ~3~-4-[N,N- bis(diphenylphosphino)aminomethyl]pyridine-κ^3^P:P':N^1^] tetrakis(tetrafluoroborate) acetonitrile trisolvate]","","- C116 H116 Ag4 B4 F16 N16 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","1","0.5","HJ1026","Feazell, Rodney P.; Carson, Cody E.; Klausmeyer, Kevin K.","Self-assembly of a mixed-ligand silver-based coordination polymer","Acta Crystallographica Section C","2004","60","11","m598","m600","10.1107/S0108270104025004","","","0.71073","MoKα","","0.0647","0.0377","","","0.0735","0.081","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014505","26.055","0.002","6.6734","0.0012","14.523","0.002","90","","94.788","0.008","90","","2516.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2',3':2,3;6',7':2,3]di-1,4- dioxino[5,6-b;5,6-b]diquinoxaline","","- C34 H22 N4 O4 -","- C34 H22 N4 O4 -","- C136 H88 N16 O16 -","4","0.5","HJ1027","Masci, Bernardo; Thuéry, Pierre","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2'',3'':2,3;6'',7'':2',3']di-1,4-dioxino[5,6-<i>b</i>;5',6'-<i>b</i>']diquinoxaline","Acta Crystallographica Section C","2004","60","11","o836","o838","10.1107/S010827010402462X","","","0.71073","MoKα","","0.1473","0.0641","","","0.1291","0.1674","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014506","13.648","0.003","13.254","0.003","15.358","0.006","90","","90","","90","","2778.1","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chlorobis[N-(ethoxycarbonyl)-N'-(p-methoxyphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O6 S2 -","- C22 H28 Cl Cu N4 O6 S2 -","- C88 H112 Cl4 Cu4 N16 O24 S8 -","4","1","HJ1031","Su, Bi-Quan; Xian, Liang; Song, Hai-Bin; Sheng, Li","Chlorobis[<i>N</i>-ethoxycarbonyl-<i>N</i>'-(<i>p</i>-methoxyphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2004","60","12","m661","m662","10.1107/S0108270104028215","","","0.71073","MoKα","","0.0904","0.039","","","0.0775","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014507","23.0272","0.0005","7.5684","0.0002","7.8595","0.0002","90","","99.266","0.002","90","","1351.87","0.06","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","calcium disilver tetrathiocyanate dihydrate","calcium tetrathiocyanato diargentate dihydrate","","- C4 H4 Ag2 Ca N4 O2 S4 -","- C4 H4 Ag2 Ca N4 O2 S4 -","- C16 H16 Ag8 Ca4 N16 O8 S16 -","4","0.5","IZ1044","Güneş, Minna; Valkonen, Jussi","Ca[Ag~2~(SCN)~4~]·2H~2~O","Acta Crystallographica Section C","2004","60","11","i101","i103","10.1107/S0108270104019316","","","0.71073","MoKα","","","0.035","","","","0.1123","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014508","7.818","0.001","5.931","0.001","10.634","0.002","90","","90","","90","","493.08","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dithallium sulfate","","- O4 S Tl2 -","- O4 S Tl2 -","- O16 S4 Tl8 -","4","0.5","IZ1045","Wallez, Gilles; Jaulmes, Sylvie; Elfakir, Ammy; Souron, Jean-Paul; Quarton, Michel","β-Tl~2~SO~4~","Acta Crystallographica Section C","2004","60","11","i107","i109","10.1107/S0108270104022346","","","0.71069","MoKα","","0.0261","0.0251","","0.0653","","0.0644","","","1.039","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014509","8.4836","0.0004","18.9094","0.0009","12.8907","0.0006","90","","97.457","0.001","90","","2050.43","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromotetra-μ~2~-methoxo-di-μ~3~-methoxo-hexakis(tetrahydrofuran-d~8~- κO)tetramagnesium","","- C30 H18 Br2 D48 Mg4 O12 -","- C30 H66 Br2 Mg4 O12 -","- C60 H132 Br4 Mg8 O24 -","2","0.5","JZ1633","Walfort, Bernhard; Yousef, Rushdi I.; Rüffer, Tobias; Steinborn, Dirk","Dibromotetra-μ~3~-methoxo-di-μ~2~-methoxo-hexakis(tetrahydrofuran-<i>d</i>~8~)tetramagnesium","Acta Crystallographica Section C","2004","60","10","m482","m483","10.1107/S010827010401933X","","","0.71073","MoKα","","0.0513","0.0368","","","0.0914","0.099","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014510","12.341","0.001","10.3381","0.0009","21.024","0.002","90","","99.371","0.002","90","","2646.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II)","bis[(1,2,3-η)-(2E)-1,3-bis(trimethylsilyl)prop-2-enyl]cobalt(II)","","- C18 H42 Co Si4 -","- C18 H42 Co Si4 -","- C72 H168 Co4 Si16 -","4","1","JZ1658","Smith, J. Dominic; Quisenberry, Keith T.; Hanusa, Timothy P.; Brennessel, William W.","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II), a stable electron-deficient allyl complex","Acta Crystallographica Section C","2004","60","10","m507","m508","10.1107/S0108270104020293","","","0.71073","MoKα","","0.0485","0.0405","","","0.1067","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014511","5.783","0.002","8.229","0.002","10.827","0.003","105.65","0.03","97.48","0.03","97.689","0.009","484.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^N:N'-μ- (p-phenylenedioxydiacetato)-κ^2^O:O']","","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","1","0.5","JZ1660","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","A two-dimensional manganese(II) coordination polymer: poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-(<i>p</i>-phenylenedioxydiacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m537","m539","10.1107/S0108270104021481","","","0.71074","MoKα","","0.096","0.058","","","0.097","0.107","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014512","9.1673","0.0018","10.401","0.002","11.026","0.002","90","","111.81","0.03","90","","976.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(pyridin-4-ol-κN)silver(I)]-μ-pyridin-4-olato-κ^2^N:O]","","- C10 H9 Ag N2 O2 -","- C10 H9 Ag N2 O2 -","- C40 H36 Ag4 N8 O8 -","4","1","JZ1667","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(pyridin-4-ol-κ<i>N</i>)silver(I)]-μ-pyridin-4-olato-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2004","60","12","m651","m653","10.1107/S0108270104026757","","","0.71073","MoKα","","0.0332","0.0251","","","0.0541","0.0562","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014513","9.0727","0.0004","12.9327","0.0005","19.0201","0.0008","90","","90","","90","","2231.71","0.16","298","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","","- C6 H14 Cr2 N2 O7 -","- C6 H14 Cr2 N2 O7 -","- C48 H112 Cr16 N16 O56 -","8","1","NA1676","Jin, Zhi-Min; Li, Li; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","Acta Crystallographica Section C","2004","60","11","m572","m574","10.1107/S010827010402342X","","","0.71073","MoKα","","0.0306","0.0288","","","0.08","0.0814","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014514","10.201","0.0012","5.0606","0.0004","36.29","0.005","90","","99.692","0.01","90","","1846.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","","- C17 H20 Cl N3 O3 S2 -","- C17 H20 Cl N3 O3 S2 -","- C68 H80 Cl4 N12 O12 S8 -","4","1","OB1189","Köysal, Yavuz; Işık, Şamil; Septiog̃lu, Ebubekir; Ünsal Çalış","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","Acta Crystallographica Section C","2004","60","10","o757","o758","10.1107/S0108270104018852","","","0.71073","MoKα","","0.0334","0.0318","","","0.1146","0.1206","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014515","12.633","0.013","12.735","0.014","13.29","0.03","61.6","0.03","66.23","0.04","63.22","0.03","1630","4","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","1","0.5","OB1191","Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')-<i>quadro</i>-tetrazinc(II) decahydrate","Acta Crystallographica Section C","2004","60","10","m479","m481","10.1107/S010827010401950X","","","0.7107","MoKα","","","0.024","","","","0.066","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014516","38.293","0.006","13.246","0.002","12.888","0.002","90","","90","","90","","6537.2","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","1,4-Dimethylpyridinium hexakis(dimethylformamide-κO)calcium(II) tetracontaoxophosphidododecamolybdate","","- C25 H52 Ca Mo12 N7 O46 P -","- C25 H52 Ca Mo12 N7 O46 P -","- C100 H208 Ca4 Mo48 N28 O184 P4 -","4","1","OB1193","Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing","1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate","Acta Crystallographica Section C","2004","60","10","m476","m478","10.1107/S0108270104019705","","","0.71073","MoKα","","0.0714","0.06","","","0.1209","0.1267","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014517","10.67","0.005","15.72","0.007","11.462","0.005","90","","90.627","0.007","90","","1922.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(nitrato-κ^2^O,O')silver(I)]-μ-2,2'-[1,4- phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^N^3^,N^3'^]","","- C14 H14 Ag N5 O3 S4 -","- C14 H14 Ag N5 O3 S4 -","- C56 H56 Ag4 N20 O12 S16 -","4","0.5","OB1194","Zheng, Yan","<i>catena</i>-Poly[[(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)]-μ-2,2'-[1,4-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2004","60","10","m471","m472","10.1107/S0108270104019183","","","0.71073","MoKα","","0.0371","0.0251","","","","0.0541","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014518","7.712","0.0015","11.771","0.002","12.523","0.003","85.27","0.03","75.38","0.03","75.82","0.03","1066.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(sulfato-κO)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]zinc(II) dihydrate","","- C18 H20 N6 O8 S Zn -","- C18 H20 N6 O8 S Zn -","- C36 H40 N12 O16 S2 Zn2 -","2","1","OB1195","Harvey, Miguel Angel; Baggio, Sergio; Baggio, Ricardo","Diaqua(sulfato-κ<i>O</i>)[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc(II) dihydrate","Acta Crystallographica Section C","2004","60","10","m498","m500","10.1107/S0108270104019821","","","0.71073","MoKα","","0.183","0.0577","","","0.1045","0.1395","","","","","","0.916","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014519","19.871","0.004","6.1614","0.0011","13.475","0.002","90","","104.452","0.003","90","","1597.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-4-aminocyclohexane carboxylic acid hemihydrate","cis-4-ammoniocyclohexanecarboxylate hemihydrate","","- C7 H14 N O2.5 -","- C7 H14 N O2.5 -","- C56 H112 N8 O20 -","8","1","OB1197","Edward E. Ávila; Asiloé J. Mora; Gerzon E. Delgado; Belkis M. Ramírez; Alí Bahsas; Sonia Koteich","Hydrogen-bonding patterns in <i>cis</i>-4-ammoniocyclohexanecarboxylate hemihydrate","Acta Crystallographica Section C","2004","60","10","o759","o761","10.1107/S0108270104020943","","","0.71073","MoKα","","0.1028","0.0473","","","0.0928","0.1024","","","","","","0.974","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014520","9.418","0.001","22.4088","0.001","23.7508","0.0013","90","","92.098","0.003","90","","5009.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[heptakis(dimethylformamide-κO)di-μ~4~-oxo-tetra-μ~3~-oxo- hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","","- C21 H49 La Mo8 N7 Na O33 -","- C21 H49 La Mo8 N7 Na O33 -","- C84 H196 La4 Mo32 N28 Na4 O132 -","4","1","OB1198","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[heptakis(dimethylformamide-κ<i>O</i>)di-μ~4~-oxo-tetra-μ~3~-oxo-hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","Acta Crystallographica Section C","2004","60","11","m549","m550","10.1107/S010827010402147X","","","0.71073","MoKα","","","0.0379","","","0.094","0.0968","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014521","15.5951","0.0018","6.6087","0.0007","7.3635","0.0008","90","","96.979","0.002","90","","753.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C32 H24 Co2 N4 O12 -","2","0.5","OB1199","He, Hong-Yin; Chen, Jie; Wang, Xiao-Hua; Zhu, Long-Guan","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m540","m542","10.1107/S0108270104021766","","","0.71073","MoKα","","0.0382","0.0354","","","0.0953","0.0967","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014522","8.711","0.011","10.05","0.013","10.224","0.013","90","","90","","90","","895","2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] trifluoromethanesulfonate]","","- C3 H8 Ag F3 N2 O3 S -","- C3 H8 Ag F3 N2 O3 S -","- C12 H32 Ag4 F12 N8 O12 S4 -","4","0.5","OB1200","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section C","2004","60","10","m515","m516","10.1107/S0108270104020839","","","0.71073","MoKα","","0.036","0.0334","","","0.0749","0.0764","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014523","6.791","0.002","7.731","0.002","8.732","0.002","92.01","0.03","92.17","0.03","91.09","0.03","457.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","","- C7 H6 Ag F3 N2 O2 -","- C7 H6 Ag F3 N2 O2 -","- C14 H12 Ag2 F6 N4 O4 -","2","1","OB1201","You, Zhong-Lu; Zhu, Hai-Liang","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","Acta Crystallographica Section C","2004","60","10","m517","m519","10.1107/S0108270104020785","","","0.71073","MoKα","","0.0324","0.0313","","","0.0825","0.0836","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014524","14.3665","0.001","17.1608","0.0018","19.762","0.003","90","","90","","90","","4872.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-[Bis(N-2-oxyphenylsalicylydene)]propane","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C232 H208 N16 O32 -","8","1","OB1202","Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel","1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane","Acta Crystallographica Section C","2004","60","11","o803","o805","10.1107/S0108270104022565","","","1.5418","CuKα","","0.0804","0.0445","","","0.1172","0.1356","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014525","13.785","0.011","8.554","0.007","34.74","0.03","90","","90","","90","","4096","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C184 H168 Cl8 N16 O8 S8 -","8","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.1156","0.0597","","","0.1155","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014526","17.511","0.004","12.519","0.003","9.232","0.002","90","","97.406","0.004","90","","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(2-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C92 H84 Cl4 N8 O4 S4 -","4","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.0582","0.0477","","","0.1414","0.1572","","","","","","0.905","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014527","12.5563","0.0009","16.291","0.001","12.6208","0.0009","90","","96.896","0.006","90","","2563","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^N,N')(squarato-κO)copper(II) trihydrate","","- C28 H22 Cu N4 O7 -","- C28 H22 Cu N4 O7 -","- C112 H88 Cu4 N16 O28 -","4","1","SK1754","Bulut, Ahmet; Uçar, İbrahim; Yeşilel, Okan Zafer; İçbudak, Hasan; Ölmez, Halis; Büyükgüngör, Orhan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(squarato-κ<i>O</i>)copper(II) trihydrate","Acta Crystallographica Section C","2004","60","10","m526","m528","10.1107/S0108270104020566","","","0.71073","MoKα","","0.0649","0.033","","","0.0628","0.0677","","","","","","0.817","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014528","6.875","0.0006","25.3741","0.0017","8.3964","0.0008","90","","96.303","0.008","90","","1455.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","SK1758","Małecka, Magdalena; Massa, Werner; Budzisz, Elżbieta","(±)-(4-Oxo-4<i>H</i>-chromen-2-yl)(phenyl)methyl acetate","Acta Crystallographica Section C","2004","60","10","o762","o764","10.1107/S0108270104020712","","","0.71073","MoKα","","0.056","0.0419","","","0.1107","0.1175","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014530","6.3647","0.0006","7.2807","0.0007","11.2743","0.001","90","","90","","90","","522.45","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate telluride","Dicerium orthosilicate telluride","","- Ce2 O4 Si Te -","- Ce2 O4 Si Te -","- Ce8 O16 Si4 Te4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0237","0.0225","","","0.0561","0.0567","","","","","","1.339","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014531","6.225","0.0006","7.2354","0.0007","11.0739","0.001","90","","90","","90","","498.77","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate selenide","Dicerium orthosilicate selenide","","- Ce2 O4 Se Si -","- Ce2 O4 Se Si -","- Ce8 O16 Se4 Si4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0221","0.0211","","","0.0583","0.0586","","","","","","1.492","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014532","4.6152","0.0004","20.504","0.002","8.7094","0.0009","90","","91.378","0.007","90","","823.93","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one","","- C7 H5 F3 N4 O -","- C7 H5 F3 N4 O -","- C28 H20 F12 N16 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0961","0.065","","","0.1517","0.1728","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014533","5.0752","0.0004","22.182","0.002","12.396","0.0011","90","","91.32","0.0005","90","","1395.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-amino-5-trifluoromethyl-1H-1,2,4-triazole‒ 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1)","","- C10 H8 F6 N8 O -","- C10 H8 F6 N8 O -","- C40 H32 F24 N32 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0756","0.0457","","","0.0985","0.1096","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014534","10.53","0.005","7.362","0.005","17.546","0.005","90","","91.719","0.005","90","","1359.6","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.1088","0.061","","","0.1158","0.1347","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014535","17.556","0.0004","5.0914","0.0002","15.4869","0.0004","90","","91.924","0.0016","90","","1383.51","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, monoclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0703","0.0449","","","0.1142","0.1284","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014536","9.5352","0.0002","10.6193","0.0003","14.7611","0.0004","89.14","0.0014","81.097","0.0017","75.754","0.0014","1430.83","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, triclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0699","0.0488","","","0.128","0.1371","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014537","7.342","0.0002","10.9241","0.0003","18.7176","0.0005","85.018","0.0011","83.228","0.0014","75.818","0.0014","1442.71","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C17 H12 F3 N O3 -","- C17 H12 F3 N O3 -","- C68 H48 F12 N4 O12 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0868","0.052","","","0.1374","0.157","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014538","10.2353","0.0006","7.7684","0.0004","23.0287","0.0014","90","","102.78","0.004","90","","1785.69","0.18","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(methylsulfonyl)amido-κN]bis(2-picoline-κN)copper(I)","","- C14 H20 Cu N3 O4 S2 -","- C14 H20 Cu N3 O4 S2 -","- C56 H80 Cu4 N12 O16 S8 -","4","1","SK1763","Jones, Peter G.; Zerbe, Eva-Maria; Wölper, Christoph","Polysulfonylamines. CLXXI. [Di(methanesulfonyl)amido-κ<i>N</i>]bis(2-picoline-κ<i>N</i>)copper(I)","Acta Crystallographica Section C","2004","60","10","m529","m531","10.1107/S0108270104020499","","","0.71073","MoKα","","0.0355","0.0261","","","0.0697","0.0729","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014539","7.492","0.0001","12.9293","0.0001","13.7904","0.0001","90","","90","","90","","1335.83","0.02","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Diaquahexa-μ-cyano-ferrate(III)praseodymium(III) dihydrate","","- C6 H8 Fe N6 O4 Pr -","- C6 H8 Fe N6 O4 Pr -","- C24 H32 Fe4 N24 O16 Pr4 -","4","0.25","SK1764","Langer, Vratislav; Smrčok, Ľubomír; Masuda, Yoshio","Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","2004","60","11","i104","i106","10.1107/S010827010402092X","","","0.71073","MoKα","","0.0176","0.0168","","","0.0383","0.0388","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014540","8.6201","0.0006","13.5104","0.0007","13.5612","0.001","90","","99.627","0.006","90","","1557.11","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Diaquabis(1H-imidazole-κN^3^)(orotato-κ^2^N,O)nickel(II)","","- C11 H14 N6 Ni O6 -","- C11 H14 N6 Ni O6 -","- C44 H56 N24 Ni4 O24 -","4","1","SK1765","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Ölmez, Halis; Büyükgüngör, Orhan","<i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(orotato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)","Acta Crystallographica Section C","2004","60","11","m563","m566","10.1107/S0108270104022462","","","0.71073","MoKα","","0.0325","0.0271","","","0.0702","0.0718","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014541","17.0056","0.0017","10.7527","0.0011","15.7079","0.0016","90","","99.367","0.002","90","","2834","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C136 H120 Cl8 F8 N8 O8 -","8","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.075","0.0533","","","0.1328","0.1468","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014542","8.1796","0.0006","17.9041","0.0012","9.6562","0.0007","90","","91.017","0.001","90","","1413.91","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C68 H60 Cl4 F4 N4 O4 -","4","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.0545","0.0495","","","0.1319","0.1362","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014543","9.6497","0.0007","12.1378","0.0005","16.5063","0.0011","90","","90","","90","","1933.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(3-Methylpteridin-4-one-2-yl)glycine","","- C9 H9 N5 O3 -","- C9 H9 N5 O3 -","- C72 H72 N40 O24 -","8","1","SK1769","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings","Acta Crystallographica Section C","2004","60","11","o795","o797","10.1107/S010827010402222X","","","0.71073","MoKα","","0.1075","0.0697","","","0.0969","0.106","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014544","12.3581","0.0009","16.7472","0.0013","14.743","0.0011","90","","93.156","0.002","90","","3046.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","di-μ-hydroxo-bis{[N,N'-bis(di-1-piperidylmethylene)propane-1,3-diamine- κ^2^N,N']copper(II)} bis(hexafluorophosphate)","","- C50 H94 Cu2 F12 N12 O2 P2 -","- C50 H94 Cu2 F12 N12 O2 P2 -","- C100 H188 Cu4 F24 N24 O4 P4 -","2","0.5","SK1771","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand","Acta Crystallographica Section C","2004","60","12","m659","m660","10.1107/S0108270104023832","","","0.71073","MoKα","","0.0925","0.0553","","","0.1375","0.1614","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014545","8.6962","0.0003","20.5493","0.0006","21.7392","0.0005","69.597","0.002","88.587","0.002","78.962","0.003","3569.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trityl losartan","2-butyl-4-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]- 1H-imidazol-5-ylmethanol","","- C41 H37 Cl N6 O -","- C41 H37 Cl N6 O -","- C164 H148 Cl4 N24 O4 -","4","2","SK1772","Sieroń, Lesław; Nagaraj, B.; Prabhuswamy, B.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Gaonkar, S. L.","Trityl losartan","Acta Crystallographica Section C","2004","60","11","o821","o823","10.1107/S0108270104024096","","","0.71073","MoKα","","0.0688","0.0483","","","0.1299","0.1431","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014546","18.91","0.001","5.1093","0.0002","17.0632","0.0009","90","","90.885","0.003","90","","1648.4","0.14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenyl-4H,6H-1,2,4-oxadiazolin-5-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","1","SK1774","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Phenyl-4<i>H</i>,6<i>H</i>-1,2,4-oxadiazol-5-one","Acta Crystallographica Section C","2004","60","11","o818","o820","10.1107/S0108270104023406","","","0.71073","MoKα","","0.1019","0.0532","","","0.1157","0.1358","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014547","11.4147","0.0003","12.9907","0.0004","14.2937","0.0005","90","","90.29","0.002","90","","2119.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Barium clodronate","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","","- C2 H12 Ba3 Cl4 O17 P4 -","- C2 H12 Ba3 Cl4 O17 P4 -","- C8 H48 Ba12 Cl16 O68 P16 -","4","1","SK1775","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","Acta Crystallographica Section C","2004","60","11","m592","m594","10.1107/S0108270104023704","","","0.71073","MoKα","","0.0312","0.0263","","","0.056","0.0574","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014548","21.247","0.0011","5.8263","0.0003","11.4131","0.0006","90","","98.197","0.003","90","","1398.41","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","SK1778","Low, John N.; Cobo, Justo; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one: bilayers built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","11","o827","o829","10.1107/S0108270104024564","","","0.71073","MoKα","","0.0712","0.0455","","","0.1095","0.1308","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014549","8.2208","0.0002","13.0786","0.0004","13.9233","0.0004","90","","90","","90","","1496.99","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C64 H32 N16 O32 -","8","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0455","0.0392","","","0.0959","0.0989","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014550","5.3114","0.0003","5.6812","0.0005","24.645","0.002","90","","90","","90","","743.67","0.1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C32 H16 N8 O16 -","4","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0623","0.0432","","","0.1013","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014551","13.583","0.0003","21.127","0.0005","6.817","0.0002","90","","116.552","0.0011","90","","1749.93","0.08","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAPdimerneedle","Potassium hydrogen diphthalate dihydrate","","- C16 H15 K O10 -","- C16 H15 K O10 -","- C64 H60 K4 O40 -","4","0.5","SQ1160","Jason B. Benedict; Theresa Bullard; Werner Kaminsky; Bart Kahr","Potassium hydrogen diphthalate dihydrate: a new structure and correction to the literature","Acta Crystallographica Section C","2004","60","11","m551","m553","10.1107/S0108270104019043","","","0.71073","MoKα","","0.0447","0.0305","","","0.0767","0.0819","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014552","3.9069","0.0001","13.4984","0.0005","20.936","0.0009","90","","91.733","0.002","90","","1103.59","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one","","- C13 H10 O5 -","- C13 H10 O5 -","- C52 H40 O20 -","4","1","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.0916","0.0557","","","0.1328","0.1529","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014553","9.205","0.002","14.285","0.004","17.978","0.005","84","0.01","83.28","0.01","77.66","0.01","2285.8","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5',6,6'-tetramethoxy-3,3',4,4'-tetrahydro-2H,2'H-3,3':4,4'- bi(furo[2,3-h]-1-benzopyran)-2,2'-dione","","- C26 H20 O10 -","- C26 H20 O10 -","- C104 H80 O40 -","4","2","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.1934","0.0764","","","0.1394","0.1825","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014554","5.8204","0.0004","7.4391","0.0007","11.2946","0.0008","72.537","0.006","81.447","0.006","87.282","0.006","461.31","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","calcium(II) thiosulphate hexahydrate","calcium(II) thiosulfate hexahydrate","","- Ca H12 O9 S2 -","- Ca H12 O9 S2 -","- Ca2 H24 O18 S4 -","2","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0237","0.0192","","","0.0509","0.0529","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014555","21.005","0.003","8.1371","0.0006","10.587","0.001","90","","107.78","0.01","90","","1723.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","strontium(II) thiosulfate pentahydrate","strontium(II) thiosulfate pentahydrate","","- H10 O8 S2 Sr -","- H10 O8 S2 Sr -","- H80 O64 S16 Sr8 -","8","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0969","0.0307","","","0.0615","0.0822","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014556","8.753","0.003","8.89","0.003","10.83","0.004","85.44","0.03","69.76","0.02","63.65","0.03","705.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0556","0.035","","","0.0936","0.0984","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014557","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0607","0.0384","","","0.1005","0.1131","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014558","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide acetonitrile 0.25-solvate","","- C14.5 H17.75 N3.25 S -","- C14.5 H17.75 N3.25 S -","- C232 H284 N52 S16 -","16","2","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.1504","0.0503","","","0.1184","0.1485","","","","","","0.992","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014559","17.598","0.005","7.374","0.002","14.771","0.004","90","","101.894","0.004","90","","1875.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(quinoxaline-κN)cobalt(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Co N10 -","- C20 H12 Co N10 -","- C80 H48 Co4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0714","0.0489","","","0.0971","0.105","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014560","18.205","0.004","7.2185","0.0016","14.766","0.003","90","","102.73","0.004","90","","1892.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[[bis(quinoxaline-κN)copper(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Cu N10 -","- C20 H12 Cu N10 -","- C80 H48 Cu4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0657","0.0406","","","0.0884","0.098","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014561","5.3049","0.0007","7.4485","0.0009","5.2537","0.0006","90","","90","","90","","207.59","0.04","295","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Gd O3 -","- Al Gd O3 -","- Al4 Gd4 O12 -","4","0.5","SQ1172","Douglas du Boulay; Nobuo Ishizawa; Edward N. Maslen; Deceased 2 February 1997","GdAlO~3~ perovskite","Acta Crystallographica Section C","2004","60","12","i120","i122","10.1107/S0108270104025144","","","0.7","synchrotron","","0.0117","0.0117","","0.0085","","0.0085","","","2.0623","","","2.0623","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014562","7.992","0.002","12.704","0.003","9.471","0.002","90","","99.68","0.03","90","","947.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine","2,3-dimethoxystrychnidin-10-one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0427","0.0397","","","0.0864","0.0887","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014563","12.765","0.003","7.136","0.0014","13.686","0.003","90","","114.35","0.03","90","","1135.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine acetone solvate","2,3-dimethoxystrychnidin-10-one acetone solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0306","0.0297","","","0.0798","0.0805","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014564","7.9297","0.0003","12.3289","0.0007","25.1631","0.001","90","","90","","90","","2460.06","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine 2-propanol solvate dihydrate","2,3-dimethoxystrychnidin-10-one 2-propanol solvate dihydrate","","- C26 H38 N2 O7 -","- C26 H38 N2 O7 -","- C104 H152 N8 O28 -","4","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0318","0.029","","","0.0727","0.074","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014565","5.703","0.003","10.313","0.005","12.805","0.006","86.978","0.006","84.452","0.007","77.115","0.007","730.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[di-μ-benzoato-κ^4^O:O'-disilver(I)]-μ-N,N'- bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^N:N']","","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","1","0.5","SQ1176","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[di-μ-benzoato-κ^4^<i>O</i>:<i>O</i>'-disilver(I)]-μ-<i>N</i>,<i>N</i>'-bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m567","m568","10.1107/S0108270104023066","","","0.71073","MoKα","","0.0948","0.0801","","","0.2007","0.2149","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014566","18.63","0.004","7.25","0.003","9.552","0.002","90","","101.17","0.03","90","","1265.7","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","catena-Poly[[[μ-pyrazine-κ^2^N:N'-disilver(I)]-di-μ-pyrazine-κ^4^N:N'] bis(trifluoromethanesulfonate) dihydrate]","","- C7 H8 Ag F3 N3 O4 S -","- C14 H16 Ag2 F6 N6 O8 S2 -","- C28 H32 Ag4 F12 N12 O16 S4 -","2","0.25","SQ1178","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[[μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'-disilver(I)]-di-μ-pyrazine-κ^4^<i>N</i>:<i>N</i>'] bis(trifluoromethanesulfonate) dihydrate]","Acta Crystallographica Section C","2004","60","12","m620","m622","10.1107/S0108270104025089","","","0.71073","MoKα","","0.0479","0.0447","","","0.1111","0.1134","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014567","11.166","0.005","14.852","0.007","8.636","0.004","90","","97.89","0.04","90","","1418.6","1.1","297","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0343","","","","0.093","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014568","9.227","0.004","42.38","0.01","8.035","0.003","90","","103.67","0.03","90","","3053","1.9","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C34 H36 Cu N2 O4 -","- C34 H36 Cu N2 O4 -","- C136 H144 Cu4 N8 O16 -","4","2","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0661","","","","0.242","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014569","14.552","0.005","4.61","0.002","15.989","0.005","90","","109.86","0.03","90","","1008.8","0.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","cyclo-(3-Methylsaligenyl)-5-O-[1-(2,4-difluoro-5-iodophenyl)-2 -deoxy-β-D-ribofuranosyl]-(S)-phosphate","(2S)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-D-ribofuranos-5-yl]-8- methyl-4H-1,3,2-benzodioxaphosphole 2-oxide","","- C19 H18 F2 I O6 P -","- C19 H18 F2 I O6 P -","- C38 H36 F4 I2 O12 P2 -","2","1","SX1133","Ohkura, Kazue; Sun, Wei-Yan; Seki, Koh-ichi; Knaus, Edward E.; Wiebe, Leonard I.","(2<i>S</i>)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-<small>D</small>-ribofuranos-5-yloxy]-8-methyl-4<i>H</i>-1,3,2-benzodioxaphosphole 2-oxide","Acta Crystallographica Section C","2004","60","11","o789","o791","10.1107/S0108270104021602","","","0.7107","MoKα","","","0.037","","","","0.096","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014570","5.0475","0.0009","10.0957","0.0009","13.735","0.003","88.674","0.012","83.414","0.019","85.922","0.01","693.5","0.2","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","1","SX1143","Štefanić, Zoran; Meden, Anton; Lutz, Martin; Schreurs, Antoine M.M.; Kojić-Prodić, Biserka","The twinned crystal structure of <i>rac</i>-(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-oxalyldivalinol","Acta Crystallographica Section C","2004","60","10","o754","o756","10.1107/S0108270104020141","","","0.71073","MoKα","","","0.0626","","","","0.1255","","","","","","1.212","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014571","6.2531","0.001","13.738","0.002","8.8997","0.0014","90","","98.281","0.003","90","","756.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(4R)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","SX1144","Tracey, Michael R.; Grebe, Tyler P.; Brennessel, William W.; Hsung, Richard P.","(4<i>R</i>)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one, an unsubstituted allenamide","Acta Crystallographica Section C","2004","60","11","o830","o832","10.1107/S0108270104023121","","","0.71073","MoKα","","0.0424","0.0337","","","0.0751","0.079","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014572","10.523","0.003","6.0404","0.0015","11.231","0.003","90","","94.478","0.005","90","","711.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,7S,8S,9S)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[c]pyran- 1-one chloroform solvate","","- C11 H17 Cl3 O4 -","- C11 H17 Cl3 O4 -","- C22 H34 Cl6 O8 -","2","1","SX1145","Khera, Smriti; Carducci, Michael D.; Gu, Jian-Qiao; Timmermann, Barbara N.","(4<i>R</i>,4a<i>R</i>,6<i>S</i>,7<i>S</i>,7a<i>S</i>)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[<i>c</i>]pyran-1-one chloroform solvate from <i>Valeriana laxiflora</i>","Acta Crystallographica Section C","2004","60","11","o773","o775","10.1107/S0108270104021511","","","0.71073","MoKα","","0.1205","0.0621","","","0.0899","0.1042","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014573","9.248","0.001","9.317","0.001","11.612","0.001","90","","90","","90","","1000.53","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,8aS)-4a-Methyl-3-methyleneperhydrochromen-2-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","SX1146","Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. II. (4a<i>S</i>,8a<i>S</i>)-4a-Methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2004","60","12","o897","o899","10.1107/S0108270104027027","","","1.54178","CuKα","","0.029","0.0287","","","0.0876","0.0882","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014574","5.3382","0.0013","6.3827","0.0016","36.741","0.009","90","","90","","90","","1251.8","0.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Seryl-L-phenylalanine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","1","SX1147","Helle, Ina Høydal; Løkken, Camilla Victoria; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Seryl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2004","60","10","o771","o772","10.1107/S0108270104021523","","","0.71073","MoKα","","0.0438","0.0383","","","0.0955","0.0982","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014575","7.9765","0.0016","9.8921","0.0014","7.22","0.002","90","","102.22","0.02","90","","556.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(chloroacetoxy)butane","Butane-1,4-diyl bis(chloroacetate)","","- C8 H12 Cl2 O4 -","- C8 H12 Cl2 O4 -","- C16 H24 Cl4 O8 -","2","0.5","SX1149","Urpí, Lourdes; Martínez-Palau, Meritxell; Font-Bardia, Mercè; Puiggalí, Jordi","Butane-1,4-diyl bis(chloroacetate)","Acta Crystallographica Section C","2004","60","12","o847","o849","10.1107/S0108270104024709","","","0.71073","MoKα","","0.128","0.0529","","","0.1138","0.1383","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014576","5.274","0.0001","7.022","0.0002","24.233","0.0007","90","","90","","90","","897.45","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Methioninium chloride","(S)-1-Carboxy-3-(methylsulfanyl)propanaminium chloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0191","0.0186","","","0.0496","0.0498","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014577","5.237","0.0005","7.066","0.0003","25.096","0.0012","90","","90","","90","","928.67","0.11","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Selenomethioninium chloride","(S)-1-Carboxy-3-(methylselanyl)propanaminium chloride","","- C5 H12 Cl N O2 Se -","- C5 H12 Cl N O2 Se -","- C20 H48 Cl4 N4 O8 Se4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0284","0.0264","","","0.068","0.0691","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014578","4.9302","0.0009","10.993","0.002","9.436","0.0016","90","","98.62","0.02","90","","505.63","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aza-2'-deoxy-2'-arabinofluorouridine","2-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione","","- C8 H10 F N3 O5 -","- C8 H10 F N3 O5 -","- C16 H20 F2 N6 O10 -","2","1","SX1151","Seela, Frank; Chittepu, Padmaja; He, Junlin; Eickmeier, Henning","6-Aza-2'-deoxy-2'-arabinofluorouridine, a 2'-deoxyribonucleoside with an N-sugar conformation in the solid state and in solution","Acta Crystallographica Section C","2004","60","12","o884","o886","10.1107/S0108270104023649","","","0.71073","MoKα","","0.0348","0.0338","","","0.0931","0.0943","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014579","23.7595","0.0009","24.2234","0.0008","9.3546","0.0003","90","","90","","90","","5383.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,11,17,23-tetra-tert-butyl-25-methoxycarbonylmethoxy-26,27,28- trihydroxycalix[4]arene chloroform trisolvate","","- C50 H63 Cl9 O6 -","- C50 H63 Cl9 O6 -","- C200 H252 Cl36 O24 -","4","1","SX1158","Ben Othman, Amel; Cheriaa, Najah; Abidi, Rym; Vicens, Jacques; Thuéry, Pierre","Self-inclusion in 5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-25-(methoxycarbonylmethoxy)calix[4]arene chloroform trisolvate","Acta Crystallographica Section C","2004","60","12","o859","o861","10.1107/S0108270104026356","","","0.71073","MoKα","","0.0711","0.0475","","","0.1096","0.1253","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014580","12.95","0.003","8.036","0.003","20.436","0.006","90","","90.14","0.02","90","","2126.7","1.1","296","","","","","","","","","","","3","C 1 2 1","C 2y","5","Swertisin dihydrate","6-C-glucopyranosyl-7-O-methylapigenin dihydrate","","- C22 H26 O12 -","- C22 H26 O12 -","- C88 H104 O48 -","4","1","SX1162","Ohba, Shigeru; Yoshida, Kumi; Kondo, Tadao","Swertisin dihydrate","Acta Crystallographica Section C","2004","60","12","o893","o896","10.1107/S0108270104028355","","","0.71073","MoKα","","","0.0454","","","","0.1348","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014581","24.309","0.01","10.161","0.004","9.326","0.004","90","","100.677","0.007","90","","2263.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Diphenic Acid Benzidine Manganese(II)","Poly[manganese(II)-μ~3~-μ~2~-benzidine-k^2^N,N'-2,2'-biphenyldicarboxylato- κ^4^O:O',O'':O''']","","- C26 H20 Mn N2 O4 -","- C26 H20 Mn N2 O4 -","- C104 H80 Mn4 N8 O16 -","4","0.5","TA1439","Jiang, Min; Li, Jun; Zhang, Feng-Xing","Poly[manganese(II)-μ~2~-benzidine-κ^2^<i>N</i>:<i>N</i>'-μ~3~-biphenyl-2,2'-dicarboxylato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section C","2004","60","10","m501","m503","10.1107/S0108270104020050","","","0.71073","MoKα","","0.0685","0.0415","","","0.0778","0.083","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014582","9.458","0.003","10.381","0.003","12.838","0.003","88.402","0.005","74.831","0.004","63.064","0.004","1078.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[bis(μ~4~-dimethylglyoximato)bis(μ~2~- dimethylglyoximato)bis(dimethylglyoxime)tetracopper(II) diperchlorate dihydrate","","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","1","0.5","TA1453","Zhang, Bao-Feng; Xie, Cheng-Zhi; Liu, Xuan-Wen; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu; Shen, De-Zhong","A novel one-dimensional zigzag coordination polymer of copper(II) with dimethylglyoxime","Acta Crystallographica Section C","2004","60","10","m546","m548","10.1107/S0108270104021456","","","0.71073","MoKα","","0.0662","0.0444","","","0.0849","0.0929","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014583","9.37","0.002","9.793","0.002","13.86","0.004","98.02","0.02","93.61","0.03","99.63","0.02","1236.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] trans-bis(2-{[(E)-(5-formyl-2- oxido-κO-phenyl)methylidene]amino-κN}ethanesulfonato(2-))copper(II) hexahydrate","","- C44 H52 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","1","0.5","TA1454","Jiang, Yi-Min; Zeng, Ju-Lan; Yu, Kai-Bei","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] <i>trans</i>-bis(2-{[(<i>E</i>)-5-formyl-2-oxido-κ<i>O</i>-benzylidene]amino-κ<i>N</i>}ethanesulfonato(2‒))copper(II) hexahydrate","Acta Crystallographica Section C","2004","60","10","m543","m545","10.1107/S0108270104021468","","","0.71073","MoKα","","0.0467","0.0342","","","0.0894","0.0919","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014584","8.072","0.005","8.279","0.005","11.327","0.005","76.195","0.005","73.134","0.005","74.199","0.005","686.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","","- C10 H12 Cl2 Cu N4 O2 -","- C10 H12 Cl2 Cu N4 O2 -","- C20 H24 Cl4 Cu2 N8 O4 -","2","1","TA1463","Uçar, İbrahim; Arslan, Figen; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Hali̇s; Büyükgüngör, Orhan","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","Acta Crystallographica Section C","2004","60","10","m523","m525","10.1107/S0108270104020840","","","0.71069","MoKα","","0.0555","0.0432","","","0.0956","0.1019","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014585","7.6931","0.0008","7.6931","0.0008","14.623","0.003","90","","90","","120","","749.5","0.19","296","2","296","2","","","","","","","","5","P 31","P 31","144","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0505","0.0503","","","0.1292","0.1293","","","","","","1.292","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014586","7.6963","0.0009","7.6963","0.0009","14.6171","0.0011","90","","90","","120","","749.82","0.14","294","2","294","1","","","","","","","","5","P 32","P 32","145","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0228","0.0206","","","0.0524","0.0531","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014587","10.5794","0.0004","10.5794","0.0004","14.0773","0.0012","90","","90","","90","","1575.58","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","N,N'-bis(ethoxythiocarbonyl)terephthalamide","O,O'-diethyl N,N'-(p-phenylenedicarbonyl)dithiocarbamate","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","0.5","TA1474","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","The first bipodal thiocarbamic acid ester, <i>O</i>,<i>O</i>'-diethyl <i>N</i>,<i>N</i>'-(<i>p</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2004","60","12","o862","o864","10.1107/S0108270104026587","","","0.71073","MoKα","","0.0444","0.0413","","","0.1025","0.1042","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014588","9.554","0.0005","15.4561","0.0011","18.4412","0.0009","90","","90","","90","","2723.2","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chloro(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-1,3- imidazolato-κ^2^N:N']","","- C15 H11 Cl Cu N4 -","- C15 H11 Cl Cu N4 -","- C120 H88 Cl8 Cu8 N32 -","8","1","TA1475","Hu, Mao-Lin; Cai, Xiao-Qing; Shi, Qian; Cheng, Ya-Qian","<i>catena</i>-Poly[[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-imidazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m575","m577","10.1107/S010827010402311X","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0737","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014589","10.511","0.003","13.707","0.004","15.551","0.005","72.785","0.004","82.336","0.004","78.048","0.005","2087.5","1.1","297","2","566","2","","","","","","","","6","P -1","-P 1","2","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","","- C41 H33 Cl2 Cu2 N7 O13 -","- C41 H33 Cl2 Cu2 N7 O13 -","- C82 H66 Cl4 Cu4 N14 O26 -","2","1","TR1091","Wei, Yi-Bin; Yuan, Cai-Xia; Yang, Pin","[Cu(phen)~2~(μ-IDA)Cu(phen)](ClO~4~)~2~·CH~3~OH: tridentate and monodentate binding to two copper(II) species by a bridging ligand","Acta Crystallographica Section C","2004","60","10","m512","m514","10.1107/S010827010402102X","","","0.71073","MoKα","","0.1248","0.0774","","","0.1592","0.179","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014590","10.6758","0.0012","13.5533","0.0015","21.255","0.002","90","","90","","90","","3075.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-Tricarbonyl{η^6^-2-[1-diphenylphosphino-1- (diphenylphosphino)ethyl]benzene}chromium(0)","","- C35 H28 Cr O3 P2 -","- C35 H28 Cr O3 P2 -","- C140 H112 Cr4 O12 P8 -","4","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.0481","0.0416","","","0.0946","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014591","14.3886","0.0006","14.3886","0.0006","76.056","0.004","90","","90","","90","","15746","1.2","110","2","110","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate","","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C684 H624 B16 Cr16 F64 O60 P32 Rh16 -","16","2","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.1151","0.071","","","0.1552","0.1741","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014592","11.262","0.002","14.116","0.003","14.226","0.003","90","","107.81","0.03","90","","2153.2","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5- diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C89 H92 B2 Cr2 F8 O9 P4 Rh2 -","2","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.044","0.0339","","","0.0705","0.0739","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014593","19.17","0.001","42.244","0.003","8.4475","0.0006","90","","90","","90","","6840.9","0.8","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C352 H304 N16 O32 -","16","1","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.0438","0.0371","","","0.0823","0.0852","","","","","","1.064","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014594","16.712","0.002","11.891","0.001","17.724","0.002","90","","101.045","0.002","90","","3456.9","0.6","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.1494","0.1052","","","0.2443","0.265","","","","","","1.462","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014595","8.4713","0.0004","8.2489","0.0004","8.0805","0.0004","90","","96.093","0.001","90","","561.47","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diamine zinc(II) hydrogen phosphite","","- C2 H7 N O3 P Zn -","- C2 H7 N O3 P Zn -","- C8 H28 N4 O12 P4 Zn4 -","4","1","TR1100","Ritchie, Lyndsey K.; Harrison, William T. A.","Butane-1,4-diamine zinc(II) hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m634","m636","10.1107/S0108270104024862","","","0.71073","MoKα","","0.026","0.0191","","","0.0478","0.0494","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014596","10.001","0.002","22.861","0.005","10.844","0.002","90","","103.57","0.03","90","","2410.1","0.9","200","3","200","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')(oxalato-κ^2^O,O')cobalt(II) pentahydrate","","- C22 H26 Co N4 O9 -","- C22 H26 Co N4 O9 -","- C88 H104 Co4 N16 O36 -","4","1","TR1107","Šestan, Marijana; Giester, Gerald; Perić, Berislav","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) pentahydrate","Acta Crystallographica Section C","2004","60","11","m595","m597","10.1107/S0108270104025181","","","0.71073","MoKα","","0.0754","0.0403","","","0.1033","0.1366","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014597","24.0733","0.0009","9.9223","0.0003","20.5055","0.0008","90","","111.22","0.002","90","","4565.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine -κ^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate)","","- C38 H40 Cl4 Fe2 N8 O19 -","- C38 H40 Cl4 Fe2 N8 O19 -","- C152 H160 Cl16 Fe8 N32 O76 -","4","0.5","AV1198","Yun-Ling, Gao; Xiao-Jun, Peng; Shi-Guo, Sun; Chang-Neng, Chen; Li-Cheng, Sun","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>]iron(III)} tetrakis(perchlorate)","Acta Crystallographica Section C","2005","61","1","m13","m15","10.1107/S0108270104028148","","","0.71073","MoKα","","","0.0752","","","0.1659","0.191","","","","","","1.09","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2014598","8.4073","0.0002","8.6544","0.0003","11.8014","0.0004","71.814","0.0014","70.7538","0.0013","82.343","0.002","769.74","0.04","293","","","","","","","","","","","5","P -1","-P 1","2","","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione","","- C14 H11 Cl3 N4 O2 -","- C14 H11 Cl3 N4 O2 -","- C28 H22 Cl6 N8 O4 -","2","1","AV1201","Belyakov, Sergey; Alksnis, Edgars; Muravenko, Velta; Lukevics, Edmunds","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","2005","61","1","o63","o64","10.1107/S0108270104023133","","","0.71073","MoKα","","0.0592","0.0492","","","0.1207","0.1299","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014599","14.052","0.003","11.33","0.002","17.283","0.003","90","","107.2","0.03","90","","2628.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2-chloroethylamino)acridine monohydrate","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","1.54178","CuKα","","0.0883","0.0451","","","0.1044","0.136","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014600","9.4","0.003","10.301","0.003","14.955","0.004","90","","106.89","0.03","90","","1385.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Phenoxyacridine","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","0.71073","MoKα","","0.0467","0.0428","","","0.1113","0.1147","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014601","9.3766","0.0019","17.734","0.004","16.35","0.003","90","","98.54","0.03","90","","2688.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(2,2'-bisoxazoline-k^2^N,N')copper(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']copper(II) diperchlorate","","- C18 H24 Cl2 Cu N6 O14 -","- C18 H24 Cl2 Cu N6 O14 -","- C72 H96 Cl8 Cu4 N24 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1357","0.0494","","","0.094","0.1119","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014602","9.3911","0.0019","17.683","0.004","16.743","0.003","90","","101.14","0.03","90","","2728","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(2,2'-bisoxazoline-k^2^N,N')nickel(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']nickel(II) diperchlorate","","- C18 H24 Cl2 N6 Ni O14 -","- C18 H24 Cl2 N6 Ni O14 -","- C72 H96 Cl8 N24 Ni4 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1164","0.0511","","","0.0931","0.1039","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014603","5.76","0.001","8.177","0.001","10.639","0.002","106.1","0.01","96.91","0.01","97.4","0.01","470.98","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N'-μ-p- phenylenebis(oxyacetato)-κ^2^O:O']","","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","1","0.5","AV1215","Yu-Mei Dai; En Tang; Zhao-Ji Li; Yuan-Gen Yao","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-<i>p</i>-phenylenebis(oxyacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","2","m61","m63","10.1107/S0108270104031397","","","0.71073","MoKα","","","0.0723","","","0.167","0.183","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014604","4.604","0.002","12.514","0.004","14.422","0.004","90","","90","","90","","830.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-amidino-4-hydroxyproline","N-Amidino-4-hydroxy-L-proline monohydrate","","- C6 H13 N3 O4 -","- C6 H13 N3 O4 -","- C24 H52 N12 O16 -","4","1","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0502","0.0385","","","0.0776","0.0813","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014605","8.982","0.003","9.844","0.003","12.066","0.004","90","","105.64","0.03","90","","1027.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-amidino-L-methionine monohydrate","","- C6 H15 N3 O3 S -","- C6 H15 N3 O3 S -","- C24 H60 N12 O12 S4 -","4","2","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0527","0.0393","","","0.0742","0.0777","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014606","11.7324","0.0018","12.3985","0.0019","13.228","0.002","90","","101.817","0.003","90","","1883.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl [(Z)-1-iodo-2-phenyl-1-hexenyl]phosphonate","","- C16 H24 I O3 P -","- C16 H24 I O3 P -","- C64 H96 I4 O12 P4 -","4","1","AV1218","Mbianda, Xavier Y.; Fernandes, Manuel A.","Diethyl [(<i>Z</i>)-1-iodo-2-phenyl-1-hexenyl]phosphonate","Acta Crystallographica Section C","2005","61","3","o168","o170","10.1107/S0108270104032913","","","0.71073","MoKα","","0.0405","0.0308","","","0.08","0.0862","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014607","10.1453","0.001","20.0868","0.0019","12.0925","0.0012","90","","105.193","0.002","90","","2378.2","0.4","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxo-bis{(acetonitrile)[N-benzyl-N-(6-methyl-2- pyridylmethyl)benzylamine-κ^2^N',N'']copper(II)} diperchlorate","","- C46 H52 Cl2 Cu2 N6 O10 -","- C46 H52 Cl2 Cu2 N6 O10 -","- C92 H104 Cl4 Cu4 N12 O20 -","2","0.5","AV1222","Rojas, Dario; García, Ana María; Manzur, Jorge; Vega, Andrés","Di-μ-hydroxo-bis{(acetonitrile)dibenzyl(6-methyl-2-pyridylmethyl)amine-κ^2^<i>N</i>,<i>N</i>]copper(II)} bis(perchlorate)","Acta Crystallographica Section C","2005","61","2","m115","m116","10.1107/S010827010500034X","","","0.71073","MoKα","","0.0773","0.0571","","","0.1692","0.1826","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014608","10.2083","0.0002","10.2083","0.0002","10.2083","0.0002","90","","90","","90","","1063.8","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti0.9999 Yb1.0001 -","- O48 P12 Rb8 Ti3.9996 Yb4.0004 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0242","0.024","","0.0563","0.0562","0.0563","","","","","","1.237","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014609","10.2111","0.0002","10.2111","0.0002","10.2111","0.0002","90","","90","","90","","1064.68","0.04","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti Yb -","- O48 P12 Rb8 Ti4 Yb4 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0234","0.023","","0.0538","0.0536","0.0538","","","","","","1.277","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014610","10.2132","0.0002","10.2132","0.0002","10.2132","0.0002","90","","90","","90","","1065.33","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0444","0.0439","","","0.1172","0.1179","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014611","10.2228","0.0005","10.2228","0.0005","10.2228","0.0005","90","","90","","90","","1068.34","0.09","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0245","0.0244","","0.0631","0.0631","0.0631","","","","","","1.208","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014612","10.0215","0.0008","10.0215","0.0008","10.0215","0.0008","90","","90","","90","","1006.46","0.14","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","calcium nitride fluoride","dicalcium nitride fluoride","","- Ca2 F N -","- Ca2 F0.998 N -","- Ca32 F15.968 N16 -","16","0.0833333","BC1056","Jack, Danielle R.; Zeller, Matthias; Wagner, Timothy R.","Doubled-cubic Ca~2~NF","Acta Crystallographica Section C","2005","61","1","i6","i8","10.1107/S0108270104026666","","","0.71073","MoKα","","0.0291","0.0283","","","0.0627","0.0636","","","","","","1.387","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014613","7.0082","0.0004","7.0082","0.0004","8.6518","0.0007","90","","90","","90","","424.93","0.05","293","2","293","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","silver ruthenate(V)","Trisilver oxoruthenate(V)","","- Ag3 O4 Ru -","- Ag3 O4 Ru -","- Ag12 O16 Ru4 -","4","0.5","BC1060","Klein, Wilhelm; Jansen, Martin","Trisilver oxoruthenate(V), Ag~3~RuO~4~","Acta Crystallographica Section C","2005","61","1","i1","i2","10.1107/S0108270104030082","","","0.71073","MoKα","","0.0318","0.0311","","","0.0762","0.0776","","","","","","1.372","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014614","9.7955","0.0008","8.9781","0.0008","5.251","0.006","90","","106.033","0.007","90","","443.8","0.5","298","1","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","Ca-clinopyroxene","","Petedunnite","- Ca O6 Si2 Zn -","- Ca O6 Si2 Zn -","- Ca4 O24 Si8 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0212","","","","0.0578","","","","","","1.052","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014615","10.1659","0.0008","9.0096","0.0007","5.4369","0.0004","90","","105.181","0.004","90","","480.59","0.06","298","2","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Ge2 O6 Zn -","- Ca Ge2 O6 Zn -","- Ca4 Ge8 O24 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0248","","","","0.0569","","","","","","1.065","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014616","8.31058","0.00005","8.31058","0.00005","8.31058","0.00005","90","","90","","90","","573.976","0.006","298","1","298","1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","magnesium aluminum iron chromite","","","- Al0.41 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al0.4 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al3.2 Cr11.36 Fe5.2 Mg3.2 O32 -","8","0.0416667","BC1063","Santos, Joab S.; Doriguetto, Antônio C.; Fernandes, Nelson G.","Magnesium aluminium chromite","Acta Crystallographica Section C","2005","61","3","i27","i28","10.1107/S0108270105000338","","","0.71073","MoKα","","0.0155","0.0151","","","0.0407","0.0408","","","","","","1.402","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014617","4.7223","0.0011","4.7223","0.0011","10.298","0.003","90","","90","","90","","229.65","0.1","293","2","293","2","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","lithium chlorite","lithium chlorate(III)","","- Cl Li O2 -","- Cl Li O2 -","- Cl4 Li4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.087","0.0466","","","0.09","0.0967","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014618","6.1446","0.0009","6.3798","0.0012","7.3755","0.0019","90","","90","","90","","289.13","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium chlorite","potassium chlorate(III)","","- Cl K O2 -","- Cl K O2 -","- Cl4 K4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.0341","0.0295","","","0.0728","0.0742","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014619","6.1973","0.001","6.4757","0.001","7.5249","0.001","102.386","0.01","96.983","0.01","102.544","0.01","283.4","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","β-Digadolinium tetraborate","Digadolinium tetraborate","","- B4 Gd2 O9 -","- B4 Gd2 O9 -","- B8 Gd4 O18 -","2","1","BC1065","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of the new rare-earth oxoborate β-Gd~2~B~4~O~9~","Acta Crystallographica Section C","2005","61","2","i23","i24","10.1107/S0108270104033396","","","0.71073","MoKα","","0.036","0.0257","","","0.0472","0.0498","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014620","7.011","0.002","7.196","0.002","12.907","0.003","89.51","0.03","76.24","0.02","89.39","0.02","632.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag0.5 Nb2 P Rb0.38 S10 -","- Ag0.5 Nb2 P Rb0.375 S10 -","- Ag Nb4 P2 Rb0.75 S20 -","2","1","","Dong, Yongkwan; Kim, Sangrok; Yun, Hoseop","A new thiophosphate, Rb~0.38~Ag~0.5~Nb~2~PS~10~","Acta Crystallographica, Section C","2005","61","","i25","i26","10.1107/S0108270105000351","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014621","17.924","0.005","11.702","0.003","14.339","0.004","90","","112.249","0.006","90","","2783.6","1.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-4H-pyrazole)]copper(I)}","","- C22 H32 Cu2 I2 N8 -","- C22 H32 Cu2 I2 N8 -","- C88 H128 Cu8 I8 N32 -","4","0.5","BM1589","Xu, Ying; Li, Hong-Xi; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)]copper(I)}","Acta Crystallographica Section C","2005","61","1","m4","m6","10.1107/S0108270104028379","","","0.71073","MoKα","","0.0514","0.0416","","","0.0783","0.0821","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014622","13.0776","0.0006","15.1667","0.0007","22.4675","0.0011","73.557","0.002","87.49","0.002","78.807","0.002","4192.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(S,S-diphenylsulfimide)cobalt(II) diiodide diphenylsulfimide acetonitrile disolvate","","- C88 H83 Co I2 N9 S7 -","- C88 H83 Co I2 N9 S7 -","- C176 H166 Co2 I4 N18 S14 -","2","1","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0614","0.0302","","","0.0562","0.0638","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014623","18.8566","0.0004","18.8566","0.0004","18.8566","0.0004","90","","90","","90","","6704.9","0.2","120","2","120","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexakis(S,S-diphenylsulfimide)iron(III) trichloride","","- C72 H66 Cl3 Fe N6 S6 -","- C72 H66 Cl3 Fe N6 S6 -","- C288 H264 Cl12 Fe4 N24 S24 -","4","0.166667","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0777","0.0462","","","0.101","0.1131","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014624","13.7287","0.0005","10.862","0.0004","18.3936","0.0006","90","","93.864","0.002","90","","2736.64","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","diiodotetrakis(S,S-diphenylsulfimide)platinum(IV) dichloride dichloromethane disolvate, [Pt(C~12~H~11~NS)~6~]Cl~2~.2CH~2~Cl~2~","","- C50 H48 Cl6 I2 N4 Pt S4 -","- C50 H48 Cl6 I2 N4 Pt S4 -","- C100 H96 Cl12 I4 N8 Pt2 S8 -","2","0.5","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0481","0.0441","","","0.1393","0.1429","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014625","6.7978","0.0007","12.5513","0.0012","8.5306","0.0008","90","","96.529","0.002","90","","723.12","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-fluoroanilinium 5-sulfosalicylate monohydrate","4-fluoroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 F N O7 S -","- C13 H14 F N O7 S -","- C26 H28 F2 N2 O14 S2 -","2","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0297","0.0283","","","0.0723","0.0732","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014626","7.455","0.004","11.849","0.007","33.848","0.019","90","","90.817","0.012","90","","2990","3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloroanilinium 5-sulfosalicylate hemihydrate","4-chloroanilinium 3-carboxy-4-hydroxybenzenesulfonate hemihydrate","","- C13 H13 Cl N O6.5 S -","- C13 H13 Cl N O6.5 S -","- C104 H104 Cl8 N8 O52 S8 -","8","2","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.7107","MoKα","","0.0558","0.0486","","","0.1282","0.1324","","","","","","1.207","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014627","12.781","0.0019","6.986","0.001","35.454","0.005","90","","90","","90","","3165.6","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-bromoanilinium 5-sulfosalicylate monohydrate","4-bromoanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 Br N O7 S -","- C13 H14 Br N O7 S -","- C104 H112 Br8 N8 O56 S8 -","8","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0497","0.0382","","","0.1068","0.1121","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014628","12.825","0.0013","16.2","0.0016","28.721","0.003","90","","97.318","0.002","90","","5918.6","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C240 H200 Br24 N8 P8 Pd8 S8 -","4","1","BM1597","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","Bis[(diphenylsulfimido)triphenylphosphonium] di-μ-bromo-bis[dibromopalladate(II)]","Acta Crystallographica Section C","2005","61","1","m40","m42","10.1107/S0108270104029464","","","0.71073","MoKα","","0.0461","0.0356","","","0.0781","0.0815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014629","15.2885","0.0001","7.1995","0.0001","28.2539","0.0003","90","","94.077","0.0004","90","","3102.02","0.06","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","","- C9 H14 Cl4 Co N4 -","- C9 H14 Cl4 Co N4 -","- C72 H112 Cl32 Co8 N32 -","8","1","BM1598","Zeller, A.; Herdtweck, E.; Strassner, T.","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","Acta Crystallographica Section C","2005","61","1","m46","m47","10.1107/S0108270104030471","","","0.71073","MoKα","","0.0314","0.0263","","","0.0646","0.0667","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014630","13.7562","0.0015","8.4253","0.0009","9.4761","0.001","90","","97.368","0.002","90","","1089.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0408","0.0308","","","0.0869","0.0936","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014631","8.4792","0.0013","9.6152","0.0015","26.864","0.004","90","","90","","90","","2190.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0979","0.0662","","","0.1531","0.1988","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014632","12.2627","0.0011","27.86","0.002","12.2402","0.0011","90","","114.438","0.002","90","","3807.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","","- C48 H40 B N S Se -","- C48 H40 B N S Se -","- C192 H160 B4 N4 S4 Se4 -","4","1","BM1600","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","<i>N</i>-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","Acta Crystallographica Section C","2005","61","2","o112","o113","10.1107/S0108270104033505","","","0.71073","MoKα","","0.0512","0.0426","","","0.1118","0.1157","","","","","","1.02","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014633","6.2384","0.0005","9.8255","0.0007","12.5432","0.0009","69.344","0.001","78.054","0.001","79.396","0.001","698.64","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Leu-Phe*","3-benzylidene-6-isobutylpiperazine-2,5-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","2","BM1602","Bagaria, A.; Ramakumar, S.; Gupta, M.; Chauhan, V. S.","Cyclo(<small>L</small>-leucyl-α,β-dehydrophenylalanine): the first diketopiperazine containing an α,β-dehydrophenylalanine residue","Acta Crystallographica Section C","2005","61","3","o174","o176","10.1107/S0108270105001629","","","0.71073","MoKα","","0.049","0.045","","","0.11","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014634","7.6642","0.0008","7.9235","0.0008","15.6651","0.0016","81.177","0.002","79.128","0.002","89.983","0.002","922.77","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","","- C12 H18 Cl4 N4 Zn -","- C12 H18 Cl4 N4 Zn -","- C24 H36 Cl8 N8 Zn2 -","2","1","DN1068","Zhi-Min Jin; Nan Shun; Ya-Ping Lü; Mao-Lin Hu; Liang Shen","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2005","61","1","m43","m45","10.1107/S0108270104030458","","","0.71073","MoKα","","0.0396","0.0333","","","0.0832","0.0872","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014635","12.936","0.003","33.696","0.008","10.604","0.003","90.35","0.01","120.67","0.01","89.6","0.01","3975.5","1.8","174","2","174","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","4'-Hydroxybiphenyl-4-carbonitrile","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","","DN1069","Britton, Doyle","4'-Hydroxybiphenyl-4-carbonitrile","Acta Crystallographica Section C","2005","61","1","o35","o37","10.1107/S010827010403046X","","","0.71073","MoKα","","0.071","0.055","","","0.114","0.119","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014636","6.6556","0.0007","7.8062","0.0008","9.669","0.001","75.043","0.002","86.534","0.002","79.042","0.002","476.45","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8-Hydroxy-2-methylquinoline-7-carboxylic acid monohydrate","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.043","0.0371","","","0.1052","0.1089","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014637","7.1089","0.0004","9.4102","0.0005","9.623","0.0005","96.719","0.001","110.184","0.001","107.941","0.001","556.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C22 H24 Cl2 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.0344","0.0301","","","0.0837","0.0862","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014638","8.8959","0.0016","8.9014","0.0016","8.9288","0.0016","88.895","0.015","87.795","0.015","66.667","0.014","648.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","DN1073","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Odabaşoglu, Mustafa; Büyükgüngör, Orhan","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","Acta Crystallographica Section C","2005","61","3","o148","o150","10.1107/S0108270104031841","","","0.71073","MoKα","","0.1349","0.069","","","0.1344","0.154","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014639","7.312","0.005","14.774","0.005","10.902","0.005","90","","95.076","0.005","90","","1173.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-(2-hydroxyethyl)ethylendiamine-κ^3^N,N',O] cis-bis(isothiocyanato-κN)copper(II)","","- C6 H12 Cu N4 O S2 -","- C6 H12 Cu N4 O S2 -","- C24 H48 Cu4 N16 O4 S8 -","4","1","FA1084","Pas̨aoǧlu, Hümeyra; Karadaǧ, Ahmet; Tezcan, Fatma; Büyükgüngör, Orhan","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]-<i>cis</i>-bis(isothiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","2","m93","m94","10.1107/S0108270104033803","","","0.71069","MoKα","","0.0459","0.0311","","","0.0556","0.0585","","","","","","0.899","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014640","7.777","0.002","11.575","0.003","20.16","0.005","90","","90","","90","","1814.8","0.8","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-methoxymethyl-1-(ferrocenylmethyl)pyrrolidinium iodide","","- C17 H24 Fe I N O -","- C17 H24 Fe I N O -","- C68 H96 Fe4 I4 N4 O4 -","4","1","FA1094","Palusiak, Marcin; Janowska, Izabela; Zakrzewski, Janusz; Grabowski, Sławomir J.","Charge-assisted N—H···I and C—H···I hydrogen bonding in (1<i>R</i>,2<i>S</i>)-1-(ferrocenylmethyl)-2-(methoxymethyl)pyrrolidinium iodide","Acta Crystallographica Section C","2005","61","1","m55","m57","10.1107/S0108270104027581","","","0.71073","MoKα","","","0.0241","","","","0.0436","","","","","","0.815","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014641","8.4148","0.0012","8.731","0.0016","9.8916","0.0016","102.177","0.016","104.587","0.012","113.166","0.013","606.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis{[η^2^-3-(3-amino-1-pyridinio)propene]copper(I)}-di-μ-chloro- copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","","- C16 H12 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","1","0.5","FA1102","Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian","<i>catena</i>-Poly[bis[(η^2^-1-allyl-3-aminopyridinium)copper(I)]-di-μ-chloro-copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","Acta Crystallographica Section C","2005","61","3","m127","m129","10.1107/S0108270105000806","","","1.54178","CuKα","","0.0713","0.06","","","0.1633","0.1747","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014642","12.115","0.003","12.225","0.004","15.71","0.003","90","","90","","90","","2326.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nimbolide","(4α,5α,6α,7α,15β,17α)-7,15:21,23-diepoxy-6 -hydroxy-4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,13,20,22-tetraene- 4,11-dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","1.54178","CuKα","","0.0841","0.0585","","","0.162","0.1832","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014643","9.026","0.002","14.009","0.018","18.495","0.005","90","","90","","90","","2339","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isonimbolide","(4α,5α,6α,7α,15α)-7,15:21,23-diepoxy-6-hydroxy- 4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,16,20,22-tetraene-4,11- dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","0.71073","MoKα","","0.2353","0.0655","","","0.1429","0.1976","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014644","8.7458","0.0015","9.2177","0.0014","9.7938","0.0015","96.339","0.012","105.022","0.014","100.649","0.013","738.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-N-isopropylbenzamidinium chloride ethanol solvate","","- C12 H22 Cl N3 O -","- C12 H22 Cl N3 O -","- C24 H44 Cl2 N6 O2 -","2","1","FA1107","Jarak, Ivana; Karminski - Zamola, Grace; Pavlović, Gordana; Popović, Zora","4-Amino-<i>N</i>-isopropylbenzamidinium chloride ethanol solvate","Acta Crystallographica Section C","2005","61","2","o98","o100","10.1107/S0108270104033281","","","0.71073","MoKα","","0.0624","0.0467","","","0.1333","0.1447","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014645","9.5092","0.0002","19.1979","0.0002","20.6024","0.0005","90","","96.88","0.001","90","","3734.02","0.13","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","28,31,36,39-tetraoxa-9,17,42-pentaaza-1,25- diazoniapentacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane bis(perchlorate)","","- C33 H43 Cl2 N5 O12 -","- C33 H43 Cl2 N5 O12 -","- C132 H172 Cl8 N20 O48 -","4","0.5","FA1108","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A Schiff base lateral macrobicycle derived from 4,13-diaza-18-crown-6 in its protonated form","Acta Crystallographica Section C","2005","61","2","o92","o94","10.1107/S0108270104033657","","","0.71073","MoKα","","0.1122","0.0678","","","0.1836","0.2143","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014646","9.2411","0.0009","16.934","0.002","17.9235","0.0018","90","","90","","90","","2804.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N-tosyl-L-glutamic acid","(+)-N-[(4-methylphenyl)sulfonyl]-L-glutamic acid","","- C12 H15 N O6 S -","- C12 H15 N O6 S -","- C96 H120 N8 O48 S8 -","8","2","FA1112","Zachara, Janusz; Madura, Izabela; Hajmowicz, Halina; Synoradzki, Ludwik","The hydrogen-bonding network in (+)-<i>N</i>-tosyl-<small>L</small>-glutamic acid","Acta Crystallographica Section C","2005","61","3","o181","o184","10.1107/S0108270105002088","","","0.71073","MoKα","","0.0315","0.0276","","","0.0727","0.0747","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014647","4.738","0.004","8.954","0.009","9.073","0.01","108.33","0.04","92.84","0.04","99.98","0.04","357.6","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","azopyridine‒succinic acid (1/1)","di-4-pyridyldiazene‒succinic acid (1/1)","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","1","0.5","FG1785","Zhang, Jing; Ye, Ling; Wu, Li-Xin","Hydrogen-bonded azopyridine and succinic acid co-crystal","Acta Crystallographica Section C","2005","61","1","o38","o40","10.1107/S0108270104030392","","","0.71073","MoKα","","0.0516","0.0426","","","0.123","0.1384","","","","","","1.144","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014648","9.3142","0.0019","10.315","0.002","12.169","0.002","87.87","0.03","84.04","0.03","68.68","0.03","1083.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]- μ~3~-p-phenylenebis(oxyacetato)-κ^3^O:O':O''] dihydrate]","","- C20 H22 Mn N2 O9 -","- C20 H22 Mn N2 O9 -","- C40 H44 Mn2 N4 O18 -","2","1","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.04","0.036","","","0.091","0.094","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014649","5.3754","0.0011","5.9136","0.0012","11.236","0.002","85.83","0.03","82.01","0.03","83.54","0.03","350.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","poly[[di-μ-aqua-bis[aquasodium(I)]]-μ~4~-p-phenylenebis(oxyacetato)- κO:O',O'':O''',O'''':O''''']","","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","1","0.5","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.041","0.037","","","0.096","0.099","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014650","9.9034","0.001","10.9374","0.0009","16.408","0.002","90","","102.252","0.005","90","","1736.8","0.3","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine- 2-carboxylato]","","- C16 H14 Cl Mn N3 O3 -","- C16 H14 Cl Mn N3 O3 -","- C64 H56 Cl4 Mn4 N12 O12 -","4","1","FG1797","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Sugimoto, Sayuri; Maekawa, Masahiko; Munakata, Megumu","<i>catena</i>-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine-2-carboxylato]","Acta Crystallographica Section C","2005","61","3","m144","m146","10.1107/S0108270105002684","","","0.7107","MoKα","","","0.03","","","","0.0619","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014651","9.202","0.009","17.136","0.016","11.087","0.009","90","","92.53","0.03","90","","1747","3","296.1","","296.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate","","- C20 H17 N3 O3 Pd -","- C20 H17 N3 O3 Pd -","- C80 H68 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71075","MoKα","","0.0225","0.0194","","","0.0528","0.0537","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014652","12.168","0.009","11.5","0.01","13.195","0.008","90","","94.94","0.03","90","","1840","2","296.1","","296.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(di-2-pyridylamine-κ^2^N,N')(2-oxidonaphthalene-3-carboxylato- κ^2^O,O')palladium(II)","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71073","MoKα","","0.0329","0.0218","","","0.048","0.0489","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014653","11.337","0.005","11.337","0.005","9.91","0.005","90","","90","","120","","1103.1","0.9","293","","293","","","","","","","","","6","P 63","P 6c","173","Tris[(R)-lactamide-κ^2^O,O']zinc(II) tetrabromozincate","Tris[(R)-2-hydroxypropanamide-κ^2^O,O']zinc(II) tetrabromozincate","","- C9 H21 Br4 N3 O6 Zn2 -","- C9 H21 Br4 N3 O6 Zn2 -","- C18 H42 Br8 N6 O12 Zn4 -","2","0.333333","FG1801","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate","Acta Crystallographica Section C","2005","61","2","m76","m77","10.1107/S0108270104032512","","","0.71073","MoKα","","0.0711","0.0435","","","0.0788","0.0878","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014654","19.28","0.005","9.715","0.003","18.05","0.005","90","","109.509","0.005","90","","3186.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","","- C15 H9 Cl F3 N O5 -","- C15 H9 Cl F3 N O5 -","- C120 H72 Cl8 F24 N8 O40 -","8","2","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.1836","0.0546","","","0.1202","0.1632","","","","","","0.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014655","14.326","0.013","7.802","0.007","14.337","0.013","90","","110.599","0.015","90","","1500","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin- 1-yl]benzoate","","- C14 H10 Cl F3 N2 O4 -","- C14 H10 Cl F3 N2 O4 -","- C56 H40 Cl4 F12 N8 O16 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.056","0.0389","","","0.1035","0.1151","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014656","22.887","0.009","7.25","0.003","9.497","0.004","90","","90","","90","","1575.8","1.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine- 2,6-dione","","- C15 H10 Cl F4 N O3 -","- C15 H10 Cl F4 N O3 -","- C60 H40 Cl4 F16 N4 O12 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.0689","0.0465","","","0.1124","0.1236","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014657","9.313","0.005","9.38","0.005","10.485","0.006","99.663","0.009","104.263","0.009","112.778","0.008","782.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-1,3,4,5,6,7- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C34 H26 Cl2 F2 N2 O6 -","2","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0632","0.0426","","","0.1006","0.1113","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014658","22.712","0.015","7.474","0.005","18.655","0.012","90","","99.061","0.011","90","","3127","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-cis-1,3,3a,4,7,7a- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C136 H104 Cl8 F8 N8 O24 -","8","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0992","0.0595","","","0.1345","0.1553","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014659","7.112","0.001","14.676","0.003","12.145","0.002","90","","96.65","0.03","90","","1259.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[copper(II)-μ-5-carboxy-1H-imidazole-4-carboxylato],","","- C10 H6 Cu N4 O8 -","- C10 H6 Cu N4 O8 -","- C40 H24 Cu4 N16 O32 -","4","1","FG1804","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","A three-dimensional supramolecular network built with the zigzag chain complex bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)copper(II)","Acta Crystallographica Section C","2005","61","2","m98","m100","10.1107/S0108270104034158","","","0.71073","MoKα","","0.0616","0.0408","","","0.0948","0.1009","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014660","8.726","0.0017","11.295","0.002","16.284","0.003","90.16","0.03","96.76","0.03","103.85","0.03","1546.7","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","[μ-2,2'-(1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^:N^3'^]bis{[2,2'- (1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^,N^3'^](nitrato-κO)cobalt(II)} dinitrate ethanol disolvate","","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","1","0.5","FG1805","Jin Yang; Jian-Fang Ma; Ying-Ying Liu","A dinuclear complex of cobalt(II) with 2,2'-(1,4-butanediyl)dibenzimidazole","Acta Crystallographica Section C","2005","61","2","m101","m103","10.1107/S0108270105000478","","","0.71073","MoKα","","0.0661","0.0402","","","0.0849","0.0892","","","","","","0.906","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014661","9.4512","0.0019","10.583","0.002","9.5998","0.0019","90","","113.9","0.03","90","","877.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","","- C20 H18 Mn N4 O4 -","- C20 H18 Mn N4 O4 -","- C40 H36 Mn2 N8 O8 -","2","0.5","FG1807","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","Acta Crystallographica Section C","2005","61","3","m133","m135","10.1107/S0108270105001101","","","0.71073","MoKα","","0.0307","0.0289","","","0.0935","0.0949","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014662","8.547","0.002","10.308","0.002","10.611","0.002","91.654","0.004","100.667","0.004","93.623","0.003","916.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","","- C17 H20 Br Cl N2 O3 -","- C17 H20 Br Cl N2 O3 -","- C34 H40 Br2 Cl2 N4 O6 -","2","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.0869","0.0549","","","0.1492","0.1697","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014663","12.4899","0.0005","9.4887","0.0003","14.1018","0.0005","90","","94.319","0.001","90","","1666.5","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.046","0.0388","","","0.0995","0.1058","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014664","12.813","0.004","13.349","0.004","14.381","0.005","89.282","0.005","79.966","0.004","89.837","0.004","2421.9","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","Poly[tetrasodium(I)-tetra-μ~2~-bis(butanedioxy)borato-μ~2~-butanediol]","","- C9 H18.5 B Na O4.5 -","- C9 H18.5 B Na O4.5 -","- C72 H148 B8 Na8 O36 -","8","4","FG1811","Gainsford, Graeme J.; Kemmitt, Tim","Poly[tetrasodium(I)-tetra-μ~2~-bis(butane-1,4-diyldioxy)borato-μ~2~-1,4-butanediol]","Acta Crystallographica Section C","2005","61","3","m136","m138","10.1107/S0108270105002520","","","0.71073","MoKα","","0.0818","0.0603","","","0.1436","0.1538","","","","","","0.992","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2014665","5.7754","0.0008","7.9446","0.0012","30.044","0.005","90","","93.807","0.012","90","","1375.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethylgenistein","5-hydroxy-4',7-dimethoxyisoflavone","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","FR1473","Zun-Ting Zhang; Xiao-Bing Wang; Qian-Guang Liu; Jian-Bin Zheng; Kai-Bai Yu","Hydrogen bonding and π‒π stacking in dimethylgenistein","Acta Crystallographica Section C","2005","61","1","o29","o31","10.1107/S0108270104009758","","","0.71073","MoKα","","0.054","0.0347","","","0.0817","0.0866","","","","","","0.903","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014666","11.707","0.002","5.4487","0.001","9.6477","0.0019","90","","126.155","0.008","90","","496.89","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt oxalate dihydrate","catena-Poly[[diaquacobalt(II)]-μ-oxalato]","","- C2 H4 Co O6 -","- C2 H4 Co O6 -","- C8 H16 Co4 O24 -","4","0.5","FR1511","Bacsa, John; Eve, Desmond; Dunbar, Kim R.","<i>catena</i>-Poly[[diaquacobalt(II)]-μ-oxalato]","Acta Crystallographica Section C","2005","61","1","m58","m60","10.1107/S0108270104030409","","","0.71073","MoKα","","0.0334","0.032","","","0.0877","0.0888","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014667","18.0977","0.0012","37.603","0.003","12.9239","0.0009","90","","90","","90","","8795.1","1.1","213","2","213","2","","","","","","","","8","P n n a","-P 2a 2bc","52","Ru2(DPhF)3(OOCMe)(MeCN)(BF4),0.5CH2CL2","(μ-acetato)acetonitriletris(μ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C348 H320 B8 Cl8 F32 N56 O16 Ru16 -","8","1","FR1512","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping","A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-acetonitriletris(μ-<i>N</i>,<i>N</i>'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m71","m73","10.1107/S0108270104032408","","","0.71073","MoKα","","0.0753","0.0563","","","0.1348","0.1443","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014668","15.2123","0.0014","14.7393","0.0013","8.955","0.0008","90","","104.649","0.002","90","","1942.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^O:O'-bis[(N^1^,N^2^-di-p-anisylformamidine- κN^2^)ruthenium(II)](Ru—Ru)","","- C38 H44 N4 O12 Ru2 -","- C38 H44 N4 O12 Ru2 -","- C76 H88 N8 O24 Ru4 -","2","0.5","FR1513","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiao-Ping","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^1^,<i>N</i>^2^-di-<i>p</i>-anisylformamidine-κ<i>N</i>^2^)ruthenium(II)](<i>Ru{—</i>Ru}): an example of an axial bis-adduct of {Ru~2~}^4+^ tetracarboxylate with N-donor ligands","Acta Crystallographica Section C","2005","61","2","m109","m111","10.1107/S0108270104032494","","","0.71073","MoKα","","0.0755","0.0473","","","0.1112","0.134","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014669","15.526","0.004","11.521","0.004","11.828","0.006","90","","98.423","0.015","90","","2092.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(trichlorogermyl)propionic acid","3,3-dimethyl-3-(trichlorogermyl)propionic acid","","- C5 H9 Cl3 Ge O2 -","- C5 H9 Cl3 Ge O2 -","- C40 H72 Cl24 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.072","0.034","","","0.069","0.079","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014670","7.785","0.001","15.678","0.002","32.703","0.005","90","","96.668","0.005","90","","3964.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(triphenylgermyl)propionic acid","3,3-dimethyl-3-(triphenylgermyl)propionic acid","","- C23 H24 Ge O2 -","- C23 H24 Ge O2 -","- C184 H192 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.076","0.04","","","0.079","0.093","","","","","","1.01","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014671","20.041","0.003","9.37","0.002","12.816","0.005","90","","108.436","0.009","90","","2283.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","","- C26 H30 Ge O2 -","- C26 H30 Ge O2 -","- C104 H120 Ge4 O8 -","4","1","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.079","0.04","","","0.083","0.095","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014672","6.1251","0.0012","7.3258","0.0015","10.456","0.002","93.35","0.03","91.28","0.03","96","0.03","465.62","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene","","- C24 H18 N4 -","- C24 H18 N4 -","- C24 H18 N4 -","1","0.5","FR1518","Gao, En-Qing","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene: weak C—H···N and C—H···π hydrogen bonds","Acta Crystallographica Section C","2005","61","2","o110","o111","10.1107/S0108270104034079","","","0.71073","MoKα","","0.0591","0.0411","","","0.1003","0.1095","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014673","17.0906","0.0013","5.9866","0.0003","15.6784","0.0015","90","","108.496","0.007","90","","1521.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylamino-3-(4-methylbenzyl)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.0586","0.039","","","0.0988","0.1059","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014674","16.8511","0.0019","5.996","0.005","17.65","0.002","90","","109.403","0.009","90","","1682.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methylbenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C18 H20 N4 O -","- C18 H20 N4 O -","- C72 H80 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.1131","0.0412","","","0.0694","0.0776","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014675","16.5043","0.001","17.4355","0.0013","5.919","0.003","90","","90","","90","","1703.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorobenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C68 H68 Cl4 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.072","0.0314","","","0.0479","0.0532","","","","","","0.739","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014676","15.4015","0.0008","5.524","0.0003","22.1182","0.0011","90","","110.367","0.002","90","","1764.13","0.16","298","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4',6,6'-Hexanitroazobenzene (HNAB-III)","bis(2,4,6-trinitrophenyl)diazene","","- C12 H4 N8 O12 -","- C12 H4 N8 O12 -","- C48 H16 N32 O48 -","4","2","GA1037","Mark A. Rodriguez; Charles F. Campana; A. David Rae; Edward Graeber; Bruno Morosin","Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III)","Acta Crystallographica Section C","2005","61","3","o127","o130","10.1107/S0108270105000569","","","0.71073","MoKα","","0.0771","0.0377","","","0.0706","0.0856","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014677","13.621","0.003","12.461","0.002","7.232","0.001","90","","93.62","0.03","90","","1225","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4'-(propane-2,2-diyl)diphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1076","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr; Dziwinski, Euzebiusz","2,4'-Isopropylidenediphenol","Acta Crystallographica Section C","2005","61","1","o45","o46","10.1107/S010827010403015X","","","0.71069","MoKα","","0.067","0.0425","","","0.1105","0.1364","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014678","7.888","0.0015","14.591","0.003","12.955","0.002","90","","91.799","0.003","90","","1490.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro(η^6^-ethoxyphenyl){(1R,2R)-N-(p-toluenesulfonyl)- 1,2-diphenylethylenediamino}ruthenium(II) methanol solvate","","- C30 H35 Cl N2 O4 Ru S -","- C30 H35 Cl N2 O4 Ru S -","- C60 H70 Cl2 N4 O8 Ru2 S2 -","2","1","GA1080","Soleimannejad, Janet; Adams, Harry; White, Colin","[(1<i>R</i>,2<i>R</i>)-2-Amino-1,2-diphenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamido]chloro(η^6^-ethoxybenzene)ruthenium(II) methanol solvate","Acta Crystallographica Section C","2005","61","3","m125","m126","10.1107/S0108270104033815","","","0.71073","MoKα","","0.0553","0.0386","","","0.0773","0.0829","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014679","11.537","0.004","16.729","0.003","16.882","0.004","90","","95.96","0.02","90","","3240.7","1.5","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^S,P,S']germanium(IV)","","- C36 H26 Ge P2 S4 -","- C36 H26 Ge P2 S4 -","- C144 H104 Ge4 P8 S16 -","4","1","GA1085","Chiang, Michael Y.; Lin, Jing-Wei; Zeng, Wen-Feng","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^<i>S</i>,<i>P</i>,<i>S</i>']germanium(IV)","Acta Crystallographica Section C","2005","61","2","m84","m86","10.1107/S0108270104033256","","","0.71069","MoKα","","","0.0329","","","","0.0939","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014680","7.995","0.002","9.465","0.002","11.899","0.002","92.12","0.03","98.96","0.03","106.28","0.03","850.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-ethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.1108","0.044","","","0.1037","0.1253","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014681","11.769","0.002","15.404","0.003","10.125","0.002","90","","115.18","0.03","90","","1661.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dimethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.0957","0.0362","","","0.0906","0.103","","","","","","0.916","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014682","7.3195","0.0007","15.5186","0.0014","16.424","0.0015","90","","94.182","0.002","90","","1860.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N2 O5 Re -","- C18 H16 Br N2 O5 Re -","- C72 H64 Br4 N8 O20 Re4 -","4","1","GA1088","Wei, Lihui; Zubieta, Jon","<i>fac</i>-Bromotricarbonyl[2-(2-pyridylmethyl)-2,3-dihydro-1<i>H</i>-isoindol-1-one]rhenium(I) methanol solvate","Acta Crystallographica Section C","2005","61","2","m95","m97","10.1107/S0108270104029592","","","0.71073","MoKα","","0.0348","0.0281","","","0.0606","0.0634","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014683","6.6513","0.0008","9.603","0.005","21.481","0.003","90","","90","","90","","1372","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N5 O4 -","- C12 H17 N5 O4 -","- C48 H68 N20 O16 -","4","1","GA1089","Seela, Frank; Zhang, Yun-Long; Xu, Kui-Ying; Eickmeier, Henning","7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate","Acta Crystallographica Section C","2005","61","1","o60","o62","10.1107/S0108270104029476","","","0.71073","MoKα","","0.1252","0.0583","","","0.094","0.1131","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014684","8.7169","0.0005","11.2997","0.0005","9.794","0.0005","90","","104.534","0.004","90","","933.82","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (2-pyridylmethyl)phosphonate","","- C8 H12 N O3 P -","- C8 H12 N O3 P -","- C32 H48 N4 O12 P4 -","4","1","GA1090","Chęcińska, Lilianna; Małecka, Magdalena; Aranowska, Katarzyna; Ochocki, Justyn","Ethyl (2-pyridylmethyl)phosphonate","Acta Crystallographica Section C","2005","61","1","o4","o6","10.1107/S0108270104029221","","","1.54178","CuKα","","0.0631","0.0455","","","0.1258","0.1338","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014685","7.2209","0.0006","9.6252","0.0007","15.0478","0.0012","98.251","0.001","92.279","0.001","94.196","0.001","1030.92","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[aqua(1,10-phenanthroline-κ^2^N,N')lead(II)]- di-μ^3^-5-carboxy-3-sulfonatobenzoato- 1:2:1'κ^4^O^3^:O^1^,O^1'^:O^1^;2':1:2κ^4^O^1^:O^1^,O^1'^:O^3^] dihydrate]","","- C20 H16 N2 O9 Pb S -","- C20 H16 N2 O9 Pb S -","- C40 H32 N4 O18 Pb2 S2 -","2","1","GA1091","Li, Xin-Hua; Xiao, Hong-Ping; Zhang, Qiao; Hu, Mao-Lin","<i>catena</i>-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-di-μ~3~-5-carboxy-3-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","3","m130","m132","10.1107/S0108270105000132","","","0.71073","MoKα","","0.0255","0.0238","","","0.0576","0.0583","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014686","16.888","0.005","11.722","0.005","20.258","0.007","90","","112.483","0.005","90","","3705","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","","- C34 H32 Cd2 N4 O14 S2 -","- C34 H32 Cd2 N4 O14 S2 -","- C136 H128 Cd8 N16 O56 S8 -","4","0.5","GD1351","Su, Wei; Bi, Wen-Hua; Li, Xing; Cao, Rong","A novel three-dimensional supramolecular coordination polymer: poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","1","m16","m18","10.1107/S0108270104028434","","","0.71073","MoKα","","0.0288","0.0267","","","0.0588","0.0599","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014687","12.76","0.008","13.346","0.009","19.758","0.013","91.619","0.012","97.925","0.011","106.44","0.01","3188","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-4-methylbenzoato-κ^4^O:O'-bis[bis(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)] tetra-μ-4-methylbenzoato-κ^8^O:O'-bis[(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)]","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","GD1354","Li, Xia; Zhang, Zhuo-Yong; Wang, Dao-Yong; Song, Hai-Bin; Zou, Ying-Quan","Dimeric hexakis(4-methylbenzoato)bis(1,10-phenanthroline)didysprosium(III)","Acta Crystallographica Section C","2005","61","2","m81","m83","10.1107/S0108270104032585","","","0.71073","MoKα","","0.0811","0.0434","","","0.0906","0.1214","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014688","7.8016","0.0008","7.6538","0.0009","16.5597","0.0017","90","","93.966","0.009","90","","986.44","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium chlorate(VII) monohydrate","","- C21 H25 Cl N2 O7 -","- C21 H25 Cl N2 O7 -","- C42 H50 Cl2 N4 O14 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0733","0.0545","","","0.1318","0.1401","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014689","7.7884","0.0008","7.6686","0.0008","17.578","0.0018","90","","100.388","0.007","90","","1032.66","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium hydrogen sulphate (VI) dihydrate","","- C21 H28 N2 O8 S -","- C21 H28 N2 O8 S -","- C42 H56 N4 O16 S2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.054","0.0466","","","0.1181","0.1257","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014690","7.6407","0.0012","7.6624","0.0009","17.992","0.002","90","","91.203","0.012","90","","1053.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium dihydrogen phosphate(V) dihydrate","","- C21 H29 N2 O8 P -","- C21 H29 N2 O8 P -","- C42 H58 N4 O16 P2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0851","0.0542","","","0.0753","0.0826","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014691","16.993","0.003","22.455","0.005","13.391","0.003","90","","103.48","0.03","90","","4968.9","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-Dibenzyl-4,13-diaza-18-crown-6","7,16-Dibenzyl-1,4,10,13-tetraoxo-7,16-diazacyclooctadecane","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C208 H304 N16 O32 -","8","2","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.1355","0.0764","","","0.1257","0.1411","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014692","7.929","0.0006","9.387","0.0006","11.607","0.0007","69.342","0.004","72.226","0.004","81.48","0.004","768.98","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","","- C26 H40 B2 F8 N2 O4.2 -","- C26 H40 B2 F8 N2 O4.204 -","- C26 H40 B2 F8 N2 O4.204 -","1","0.5","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.0542","0.0406","","","0.0972","0.1023","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014693","16.5198","0.0016","7.3512","0.0007","7.6309","0.0006","90","","107.06","0.01","90","","885.92","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","","- C16 H14 Cd N6 Ni -","- C16 H14 Cd N6 Ni -","- C32 H28 Cd2 N12 Ni2 -","2","0.25","GD1364","Aygün, Muhittin; Utlu, Gökhan; Gökçe, Aytaç Gürhan; Akyüz, Sevim; Özbey, Süheyla","The two-dimensional coordination polymer poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","Acta Crystallographica Section C","2005","61","3","m117","m118","10.1107/S0108270105000636","","","0.71073","MoKα","","0.0296","0.0283","","","0.0828","0.0843","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014694","13.653","0.004","13.637","0.005","11.893","0.004","90","","112.19","0.03","90","","2050.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,5-tri-tert-butyl-2,4-difluoro-6-phenylcyclotriborazane","","- C18 H32 B3 F2 N3 -","- C18 H32 B3 F2 N3 -","- C72 H128 B12 F8 N12 -","4","0.5","GG1227","Chivers, Tristram; Fedorchuck, Chantall; Parvez, Masood","An asymmetrically substituted borazine","Acta Crystallographica Section C","2005","61","1","o47","o49","10.1107/S0108270104030410","","","0.71069","MoKα","","0.049","0.043","","","0.117","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014695","10.7732","0.0004","18.3479","0.0007","27.5862","0.0009","90","","90","","90","","5452.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(tetrabutylammonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C41 H72 N2 O3 S12 Sn -","- C41 H72 N2 O3 S12 Sn -","- C164 H288 N8 O12 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0844","0.05","","","0.0988","0.1097","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014696","14.2844","0.0002","26.4828","0.0004","15.4538","0.0002","90","","90.4168","0.0006","90","","5845.88","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tetraphenylphosphonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C57 H40 O3 P2 S12 Sn -","- C57 H40 O3 P2 S12 Sn -","- C228 H160 O12 P8 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0445","0.0307","","","0.0734","0.078","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014697","5.4146","0.0012","10.969","0.002","19.968","0.004","90","","90","","90","","1186","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyguanosine","2-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl-3,7- dihydropyrrolo[2,3-d]pyrimidin-4-one","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","1","GG1237","Seela, Frank; Shaikh, Khalil I.; Eickmeier, Henning","7-Deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2005","61","3","o151","o153","10.1107/S0108270105000971","","","0.71073","MoKα","","0.0808","0.0507","","","0.1063","0.1195","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014698","14.5478","0.0011","4.9229","0.0004","11.3006","0.0009","90","","100.711","0.001","90","","795.22","0.11","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(p-tolylethynyl)benzene","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","0.5","GG1238","Filatov, Alexander S.; Petrukhina, Marina A.","1,4-Bis(<i>p</i>-tolylethynyl)benzene","Acta Crystallographica Section C","2005","61","3","o193","o194","10.1107/S0108270105000983","","","0.71073","MoKα","","0.0577","0.0449","","","0.1374","0.1438","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014699","7.398","0.002","8.413","0.002","38.628","0.011","90","","90","","90","","2404.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0531","0.0385","","","0.0777","0.082","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014700","7.071","0.0005","6.85","0.0004","48.717","0.004","90","","90","","90","","2359.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0839","0.067","","","0.1236","0.1306","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014701","10.2353","0.0008","12.1885","0.0009","24.9647","0.0019","90","","93.895","0.002","90","","3107.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-1,2-Bis(4-pyridyl)ethene-κ^2^N:N'-bis(tetraaqua{4-[2-(4- pyridinio)ethenyl]pyridine-κN}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","","- C36 H76 Co3 N6 O38 S4 -","- C36 H76 Co3 N6 O38 S4 -","- C72 H152 Co6 N12 O76 S8 -","2","0.5","HJ1033","Xin-Hua Li; Hong-Ping Xiao; Sai-Zhen Yang","μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'-bis(tetraaqua{4-[2-(4-pyridinio)ethenyl]pyridine-κ<i>N</i>}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","Acta Crystallographica Section C","2005","61","2","m112","m114","10.1107/S0108270104030434","","","0.71073","MoKα","","0.083","0.0679","","","0.1377","0.144","","","","","","1.195","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014702","26.522","0.006","6.872","0.0013","13.811","0.004","90","","120.93","0.007","90","","2159.2","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Pt(PEt~3~)Br~2~]~2~","trans-Di-μ-bromo-bis[bromo(triethylphosphine-κP)platinum(II)]","","- C12 H30 Br4 P2 Pt2 -","- C12 H30 Br4 P2 Pt2 -","- C48 H120 Br16 P8 Pt8 -","4","0.5","HJ1034","Cornet, Stéphanie M. M.; Dillon, Keith. B.; Goeta, Andrés E.; Thompson, Amber L.","<i>trans</i>-Di-μ-bromo-bis[bromo(triethylphosphine-κ<i>P</i>)platinum(II)]","Acta Crystallographica Section C","2005","61","2","m74","m75","10.1107/S0108270104032731","","","0.71073","MoKα","","0.0226","0.0198","","","0.0448","0.0457","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014703","9.251","0.0003","16.4054","0.0005","17.8005","0.0005","113.016","0.001","93.684","0.001","101.966","0.001","2400.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[tris[(5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetracyclotetradiene)copper(II)]-tri-μ-cyamo-bis[tricyanocobalt(III)]]dimethylformamide solvate trihydrate]","","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","1","0.5","HJ1035","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","Cyano-bridged extended heteronuclear supramolecular architectures with hexacyanocobalt(III) as building blocks","Acta Crystallographica Section C","2005","61","3","m122","m124","10.1107/S0108270104033943","","","0.71073","MoKα","","0.0938","0.0755","","","0.1873","0.2004","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014704","10.1224","0.0004","34.3476","0.0016","10.9696","0.0004","90","","108.435","0.003","90","","3618.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran- κO)dititanium(III)samarium(III)","","- C24 H48 Cl7 O7 Sm Ti2 -","- C24 H48 Cl7 O7 Sm Ti2 -","- C96 H192 Cl28 O28 Sm4 Ti8 -","4","0.5","HJ1036","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran-κ<i>O</i>)dititanium(III)samarium(III): a novel trinuclear Sm‒Ti mixed species","Acta Crystallographica Section C","2005","61","2","m64","m66","10.1107/S0108270104032986","","","0.71073","MoKα","","0.0264","0.0228","","","0.0528","0.0539","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014705","18.7505","0.001","4.6414","0.001","11.3866","0.001","90","","98.394","0.01","90","","980.3","0.2","293","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","HJ1037","Wang, Qing; Pi, Xiang-Dong; Su, Cheng-Yong","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","Acta Crystallographica Section C","2005","61","2","o73","o74","10.1107/S010827010403272X","","","0.71073","MoKα","","","0.0351","","","","0.0706","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014706","16.0933","0.0002","10.21","0.0001","3.49811","0.00004","90","","90","","90","","574.784","0.011","295","","295","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","sodium calcium orthoborate","","- B4 Ca4 Na4 O12 -","- B4 Ca4 Na4 O12 -","- B8 Ca8 Na8 O24 -","2","0.25","IZ1043","Wu, L.; X.-L. Chen; Li, X.-Z.; Dai, L.; Xu, Y.-P.; Zhao, M.","Synthesis and <i>ab initio</i> X-ray powder diffraction structure of the new alkali and alkali earth metal borate NaCa(BO~3~)","Acta Crystallographica Section C","2005","61","3","i32","i34","10.1107/S010827010401964X","","","1.54056","CuKα~1~","","","","","","","","","","2.06","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014707","25.572","0.005","4.4516","0.0009","24.967","0.005","90","","99.85","0.03","90","","2800.3","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Disamarium tetraborate","Disamarium tetraborate","","- B4 O9 Sm2 -","- B4 O9 Sm2 -","- B80 O180 Sm40 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0186","0.0135","","","0.0279","0.0287","","","","","","0.952","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014708","25.09","0.005","4.3941","0.0009","24.742","0.005","90","","99.83","0.03","90","","2687.7","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Diholmium tetraborate","Diholmium tetraborate","","- B4 Ho2 O9 -","- B4 Ho2 O9 -","- B80 Ho40 O180 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0381","0.0328","","","0.0757","0.0772","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014709","5.2082","0.001","7.3705","0.0015","7.8068","0.0016","96.35","0.03","106.91","0.03","92.79","0.03","283.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato- 3,4-η:7,8-η:κ^6^O:O':O'':O''':O'''':O''''']","","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","1","0.5","JZ1673","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhu, Zhi-Biao; Zhao, Hui","Poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato]","Acta Crystallographica Section C","2005","61","1","m22","m24","10.1107/S0108270104029701","","","0.71073","MoKα","","0.0345","0.0339","","","0.091","0.0916","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014710","6.1036","0.0008","7.2946","0.0011","8.5571","0.0013","99.605","0.012","92.776","0.012","113.758","0.011","340.98","0.09","296","","296","","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(6-hydroxypicolinato-κ^2^N,O^2^)copper(II)","","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","1","0.5","JZ1676","S̨engül, Abdurrahman; Büyükgüngör, Orhan","<i>trans</i>-Diaquabis(6-hydroxypicolinato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II)","Acta Crystallographica Section C","2005","61","3","m119","m121","10.1107/S0108270104031178","","","0.71073","MoKα","","0.0346","0.0293","","","0.0692","0.0707","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014711","16.6892","0.0009","13.8568","0.0008","20.425","0.0012","90","","105.225","0.001","90","","4557.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-(p-phenylenediethynyl)-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","","- C16.5 H33 Au2 Cl O6 P2 -","- C16.5 H23 Au2 Cl O6 P2 -","- C132 H184 Au16 Cl8 O48 P16 -","8","1","JZ1684","Millar, David; Zakharov, Lev N.; Rheingold, Arnold L.; Linda H. Doerrer","Aurophilic interactions in μ-<i>p</i>-phenylenediethynyl-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m90","m92","10.1107/S0108270104033402","","","0.71073","MoKα","","0.0248","0.0202","","","0.0494","0.0515","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014712","6.7053","0.0018","8.823","0.002","14.547","0.004","90.272","0.003","101.316","0.003","103.116","0.004","820.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquachloro(2,2'-bi-1H-imidazole)copper(II) chloro(iminodiacetato)copper(II) monohydrate","","- C10 H15 Cl2 Cu2 N5 O6 -","- C10 H15 Cl2 Cu2 N5 O6 -","- C20 H30 Cl4 Cu4 N10 O12 -","2","1","OB1205","Gao, Xiao-Li; Wei, Yi-Bin; Li, Yan-Ping; Yang, Pin","Aqua(2,2'-bi-1<i>H</i>-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate","Acta Crystallographica Section C","2005","61","1","m10","m12","10.1107/S0108270104028732","","","0.71073","MoKα","","0.0505","0.0398","","","0.095","0.0995","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014713","7.025","0.001","6.724","0.001","20.2","0.004","90","","90.27","0.03","90","","954.2","0.3","293","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-4,6-dimethylpyrimidinium hydrogensulfate","2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","","- C6 H11 N3 O4 S -","- C6 H11 N3 O4 S -","- C24 H44 N12 O16 S4 -","4","1","OB1206","Madhukar Hemamalini; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","Acta Crystallographica Section C","2005","61","2","o95","o97","10.1107/S0108270104030975","","","0.71073","MoKα","","0.031","0.0268","","","0.0701","0.0723","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014714","7.534","0.004","9.621","0.005","11.051","0.005","113.233","0.008","96.932","0.009","106.746","0.009","679.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfito-κ^3^O,O':O'';κ^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc(II)] dihydrate","","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","1","0.5","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.7107","MoKα","","0.072","0.0639","","","0.1765","0.182","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014715","8.0271","0.0016","9.4817","0.0019","10.286","0.002","80.98","0.03","80.39","0.03","75.55","0.03","742","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~-sulfito-κ^2^O:O':O''- zinc(II)-μ~3~-sulfito-κ^3^O:O:O']","","- C12 H10 N2 O7 S2 Zn2 -","- C12 H10 N2 O7 S2 Zn2 -","- C24 H20 N4 O14 S4 Zn4 -","2","1","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.71073","MoKα","","0.0811","0.0304","","","0.0693","0.0787","","","","","","0.966","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014716","21.06","0.005","12.643","0.004","12.018","0.008","90","","90","","90","","3200","2","93.1","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Tetra-n-butylammonium bromide‒water (1/38)","","- C16 H112 Br N O38 -","- C16 H38 Br N O38 -","- C32 H76 Br2 N2 O76 -","2","0.25","OB1208","Shimada, Wataru; Shiro, Motoo; Kondo, Hidemasa; Takeya, Satoshi; Oyama, Hiroyuki; Ebinuma, Takao; Narita, Hideo","Tetra-<i>n</i>-butylammonium bromide‒water (1/38)","Acta Crystallographica Section C","2005","61","2","o65","o66","10.1107/S0108270104032743","","","0.7107","MoKα","","","0.059","","","","0.156","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014717","7.3032","0.0009","14.038","0.0012","24.1952","0.0018","90","","91.812","0.004","90","","2479.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(benzimidazole)(salicylato-κO)copper(II)]- μ-salicylato-O,O':O'']","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C112 H88 Cu4 N16 O24 -","4","1","OB1209","Hong Li; Kai-Liang Yin; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(salicylato-κ<i>O</i>)copper(II)]-μ-salicylato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2005","61","1","m19","m21","10.1107/S0108270104029580","","","0.71073","MoKα","","0.052","0.036","","","0.079","0.084","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014718","20.8346","0.0007","8.0289","0.0003","21.3189","0.0008","90","","90","","90","","3566.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","","- C38 H34 Mn2 N6 O8 -","- C38 H34 Mn2 N6 O8 -","- C152 H136 Mn8 N24 O32 -","4","1","OB1213","Zhang, Quan-Zheng; Lu, Can-Zhong","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2005","61","2","m78","m80","10.1107/S0108270104032615","","","0.71073","MoKα","","0.0432","0.0401","","","0.0978","0.1007","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014719","13.2321","0.0014","8.9874","0.0006","13.9519","0.0015","90","","103.854","0.008","90","","1610.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acesulfamato)tetraaquacobalt(II)","tetraaquabis[6-methyl-1,2,3-oxathiazin-4(3H)-onato 2,2-dioxide-κN]cobalt(II)","","- C8 H16 Co N2 O12 S2 -","- C8 H16 Co N2 O12 S2 -","- C32 H64 Co4 N8 O48 S8 -","4","0.5","SK1780","İçbudak, Hasan; Bulut, Ahmet; Çetin, Naziye; Kazak, Canan","Bis(acesulfamato)tetraaquacobalt(II)","Acta Crystallographica Section C","2005","61","1","m1","m3","10.1107/S0108270104028574","","","0.71073","MoKα","","0.0364","0.0279","","","0.0658","0.0675","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014720","5.0116","0.0003","8.9507","0.0006","16.0882","0.0011","86.095","0.001","84.841","0.001","78.241","0.001","702.75","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","6-methyl-5-(N-methylcarbamoyl)-4-phenyl-1,2,3,4-dihydropyrimidine-2-thione monohydrate","","- C13 H17 N3 O2 S -","- C13 H17 N3 O2 S -","- C26 H34 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0437","0.0412","","","0.1126","0.1149","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014721","4.8853","0.0003","9.7093","0.0007","16.0343","0.0011","79.506","0.001","84.792","0.001","82.834","0.001","740.18","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-6-methyl-5-(N-methylcarbamoyl)-1,2,3,4-dihydropyrimidine- 2-thione monohydrate","","- C13 H16 Cl N3 O2 S -","- C13 H16 Cl N3 O2 S -","- C26 H32 Cl2 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0614","0.0554","","","0.1459","0.1504","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014722","7.5939","0.001","9.2822","0.0018","18.164","0.002","90","","90","","90","","1280.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H- pyrazolo[3,4-d]pyrimidine-4,6-diamine","","- C10 H13 Br N6 O3 -","- C10 H13 Br N6 O3 -","- C40 H52 Br4 N24 O12 -","4","1","SK1785","Seela, Frank; Sirivolu, Venkata Ramana; He, Junlin; Eickmeier, Henning","3-Bromo-1-(2-deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine: a nucleoside which strongly enhances DNA duplex stability","Acta Crystallographica Section C","2005","61","2","o67","o69","10.1107/S0108270104032123","","","0.71073","MoKα","","0.0909","0.0563","","","0.1224","0.1394","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014723","6.742","0.007","12.174","0.004","25.893","0.006","90","","90","","90","","2125","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1132","0.0408","","","0.0918","0.1274","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014724","22.885","0.003","22.885","0.004","7.9582","0.0012","90","","90","","120","","3609.5","1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","17-Oxo-5β-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C138 H204 O30 -","6","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1164","0.0463","","","0.1184","0.1398","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014725","16.453","0.003","7.173","0.001","22.368","0.003","90","","107.26","0.02","90","","2520.9","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,8,9-Pentachloropyrimido[1,2a][1,8]naphthyridin-10-one","","- C11 H2 Cl5 N3 O -","- C11 H2 Cl5 N3 O -","- C88 H16 Cl40 N24 O8 -","8","2","SK1788","Bortoluzzi, Adailton J.; Joussef, Antonio C.; Silva, Luiz E.; Rebelo, Ricardo A.","4,5,6,8,9-Pentachloropyrimido[1,2-<i>a</i>][1,8]naphthyridin-10-one","Acta Crystallographica Section C","2005","61","1","o1","o3","10.1107/S0108270104031713","","","0.71073","MoKα","","0.0461","0.0353","","","0.1052","0.1113","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014726","12.853","0.0002","5.602","0.0006","16.598","0.0008","90","","93.241","0.002","90","","1193.19","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","0.71073","MoKα","","0.0899","0.0473","","","0.1004","0.1157","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014727","25.4535","0.0004","6.2152","0.0001","28.1787","0.0004","90","","102.797","0.001","90","","4347.1","0.12","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-3-[1-(4-tert-Butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C208 H192 N16 S8 -","8","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","1.54178","CuKα","","0.0469","0.0426","","","0.113","0.1157","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014728","8.421","0.002","11.915","0.002","13.932","0.002","90","","104.04","0.02","90","","1356.1","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ti(DMP)(NMe2)2Cl","chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV)","","- C10 H20 Cl N3 Ti -","- C10 H20 Cl N3 Ti -","- C40 H80 Cl4 N12 Ti4 -","4","1","SK1790","Duarte, M. Teresa; Ferreira, A.; Dias, A. R.; Salema, M. M.; Ferreira da Silva, João","Chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV), [Ti(NMe~2~)~2~(DMP)Cl]","Acta Crystallographica Section C","2005","61","2","m104","m106","10.1107/S0108270104031695","","","1.5418","CuKα","","0.0686","0.0494","","","0.1258","0.1417","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014729","7.1134","0.0002","12.0842","0.0005","14.319","0.0006","90","","92.624","0.002","90","","1229.57","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.0554","0.0413","","","0.1032","0.1116","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014730","5.9635","0.0002","11.0881","0.0006","18.9959","0.001","90","","93.048","0.003","90","","1254.31","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.1111","0.0525","","","0.1139","0.1368","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014731","8.6066","0.0005","9.1751","0.0005","11.9799","0.0007","90","","109.321","0.002","90","","892.73","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.1017","0.0635","","","0.1799","0.207","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014732","4.1085","0.0003","8.4497","0.0005","17.1272","0.0011","90","","94.721","0.002","90","","592.56","0.07","291","2","291","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-dimethyl-5-(1-propylaminoethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C22 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0596","0.0459","","","0.116","0.1261","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014733","18.4577","0.0004","18.4577","0.0004","19.7736","0.0004","90","","90","","120","","5834.1","0.2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","5-[1-(2,2-dimethoxyethylamino)ethylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C216 H342 N54 O90 -","18","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0583","0.042","","","0.1076","0.115","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014734","7.0696","0.0005","9.0734","0.0007","11.9214","0.0008","70.995","0.002","82.084","0.002","84.729","0.002","715.23","0.09","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","5-[1-(benzylamino)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0891","0.0537","","","0.1462","0.1666","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014735","7.9669","0.0005","17.267","0.0011","13.6223","0.0009","90","","90","","90","","1873.9","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C64 H96 N32 O24 -","8","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0889","0.0464","","","0.1157","0.1287","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014736","14.402","0.0007","9.111","0.0014","9.704","0.0013","90","","108.484","0.008","90","","1207.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","S-Ethyl N-(4-chlorobenzoyl)dithiocarbamate","","- C10 H10 Cl N O S2 -","- C10 H10 Cl N O S2 -","- C40 H40 Cl4 N4 O4 S8 -","4","1","SK1793","Low, John N.; Cobo, Justo; Insuasty, Henry; Cortés, Edward; Insuaty, Braulio; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-(4-chlorobenzoyl)dithiocarbamate: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2005","61","1","o7","o9","10.1107/S0108270104029361","","","0.71073","MoKα","","0.1557","0.0546","","","0.1154","0.1389","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014737","9.1606","0.0005","7.2295","0.0004","11.5201","0.0006","90","","97.515","0.001","90","","756.38","0.07","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(4-nitrobenzylidene)ethane-1,2-diamine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0647","0.0498","","","0.1437","0.1581","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014738","12.9412","0.0006","7.3062","0.0003","16.9061","0.0008","90","","99.559","0.002","90","","1576.29","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(4-nitrobenzylidene)propane-1,3-diamine","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C68 H64 N16 O16 -","4","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0816","0.0523","","","0.1378","0.1575","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014739","11.0529","0.0004","15.4381","0.0006","9.2768","0.0004","90","","90.951","0.002","90","","1582.74","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3-Difluoro-5-nitro-1H-indol-2(3H)-one","","- C8 H4 F2 N2 O3 -","- C8 H4 F2 N2 O3 -","- C64 H32 F16 N16 O24 -","8","2","SK1799","Glidewell, Christopher; Low, John N.; Wardell, James L.","3,3-Difluoro-5-nitro-1<i>H</i>-indol-2(3<i>H</i>)-one: sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^6^(34) rings built from three-centre N—H···(O)~2~ hydrogen bonds","Acta Crystallographica Section C","2005","61","1","o57","o59","10.1107/S0108270104031026","","","0.71073","MoKα","","0.0449","0.034","","","0.085","0.0902","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014740","7.802","0.0002","12.5233","0.0005","13.892","0.0006","83.5872","0.0018","89.022","0.002","72.611","0.002","1287.01","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C54 H54 N14 O12 -","2","1","SK1801","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine: π-stacked chains of hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(26) dimers","Acta Crystallographica Section C","2005","61","2","o75","o77","10.1107/S0108270104033141","","","0.71073","MoKα","","0.0997","0.0514","","","0.1074","0.1238","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014741","6.1494","0.0007","6.1984","0.0008","7.3642","0.0009","83.486","0.006","82.58","0.008","65.067","0.007","251.86","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Piperazinedione‒oxalic acid‒water (1/1/2)","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","1","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0464","0.0424","","","0.1324","0.1357","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014742","3.8967","0.001","11.527","0.003","5.159","0.002","90","","96.46","0.02","90","","230.26","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Piperazinedione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0677","0.067","","","0.2049","0.206","","","","","","1.245","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014743","5.6222","0.0003","8.0912","0.0004","10.5852","0.0005","90","","95.485","0.003","90","","479.32","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diphenylmercury","","- C12 H10 Hg -","- C12 H10 Hg -","- C24 H20 Hg2 -","2","0.5","SK1803","Glidewell, Christopher; Low, John N.; Wardell, James L.","Diphenylmercury, redetermined at 120K: sheets built from a single C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","2","m107","m108","10.1107/S0108270104034134","","","0.71073","MoKα","","0.0259","0.0168","","","0.0406","0.0446","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014744","8.0671","0.0003","8.0739","0.0004","8.6212","0.0005","112.616","0.002","115.06","0.003","93.81","0.003","451.55","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-6-methoxy-4-nitroaniline","","- C7 H7 I N2 O3 -","- C7 H7 I N2 O3 -","- C14 H14 I2 N4 O6 -","2","1","SK1806","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-6-methoxy-4-nitroaniline: tripartite ribbons built from N—H···O hydrogen bonds and iodo‒nitro interactions are π-stacked into sheets","Acta Crystallographica Section C","2005","61","3","o145","o147","10.1107/S0108270105000661","","","0.71073","MoKα","","0.032","0.0251","","","0.0507","0.053","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014745","10.33","0.0005","12.2408","0.0004","7.9804","0.0004","90","","96.215","0.002","90","","1003.17","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenyl phenyl ether","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","SK1810","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Nitrophenyl phenyl ether: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","3","o185","o187","10.1107/S0108270105002076","","","0.71073","MoKα","","0.0708","0.0423","","","0.0995","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014746","6.768","0.0009","19.989","0.003","9.4923","0.0012","90","","90.717","0.002","90","","1284.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquacopper(II)]-μ~3~-2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O:O' dihydrate]","","- C12 H12 Cu N2 O7 -","- C12 H6 Cu N2 O7 -","- C48 H24 Cu4 N8 O28 -","4","1","SQ1177","Zhao, Bao-Zhong; Hao, Xiang-Rong; Han, Zhan-Gang; Fu, Qiang; Chen, Ya-Guang","A novel copper(II) coordination polymer with 2,2'-bipyridyl-3,3'-dicarboxylic acid","Acta Crystallographica Section C","2005","61","1","m48","m50","10.1107/S0108270104028720","","","0.71073","MoKα","","0.0577","0.0394","","","0.0873","0.0941","","","","","","0.945","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014747","26.5955","0.0001","11.4267","0.0003","16.5915","0.0004","90","","92.053","0.001","90","","5038.9","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[μ-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","","- C50 H36 Cl2 Cu2 N12 O14 -","- C50 H36 Cl2 Cu2 N12 O14 -","- C200 H144 Cl8 Cu8 N48 O56 -","4","0.5","SQ1182","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)oxamidato(2‒)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","Acta Crystallographica Section C","2005","61","1","m7","m9","10.1107/S0108270104028367","","","0.71073","MoKα","","0.1004","0.0689","","","0.1685","0.1984","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014748","73.814","0.015","7.008","0.0014","6.871","0.0014","90","","94.98","0.03","90","","3540.9","1.3","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","1","SQ1183","Davey, Roger J.; Gillon, Amy L.; Quayle, Michael J.; Rashad, Omar","4'-Octyloxybiphenyl-4-carbonitrile polymorph III","Acta Crystallographica Section C","2005","61","3","o143","o144","10.1107/S0108270105000326","","","0.71073","MoKα","","","0.0585","","","","0.1592","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014749","18.2168","0.0004","7.5623","0.0002","22.1355","0.0005","90","","90","","90","","3049.41","0.13","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","fenofibric acid","2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","1","SQ1185","Rath, Nigam P.; Haq, Wahajul; Balendiran, Ganesaratnam K.","Fenofibric acid","Acta Crystallographica Section C","2005","61","2","o81","o84","10.1107/S0108270104032573","","","0.71073","MoKα","","0.0485","0.0416","","","0.0957","0.0991","","","","","","1.114","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014750","9.955","0.004","6.9722","0.0012","14.673","0.004","90","","90","","90","","1018.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin- 1(8aH)-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","SQ1186","Cetina, Mario; Nagl, Ante; Prekupec, Svjetlana; Raić-Malić, Silvana; Mintas, Mladen","Hydrogen-bonding and C—H···π interactions in 7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-<i>c</i>]pyrimidin-1(9<i>H</i>)-one","Acta Crystallographica Section C","2005","61","3","o158","o160","10.1107/S010827010500079X","","","0.71073","MoKα","","0.0688","0.0399","","","0.0973","0.1077","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014751","8.067","0.003","11.029","0.003","12.769","0.004","90","","112.12","0.02","90","","1052.5","0.6","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-5-hydroxymethyl-3,6-dioxatricyclo[6.3.1.0^1.5^]dodecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.057","0.045","","","0.112","0.121","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014752","7.8896","0.0006","12.7281","0.001","21.8425","0.0018","90","","90","","90","","2193.4","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,7-bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.092","0.053","","","0.117","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014753","9.204","0.001","10.502","0.001","13.009","0.001","90","","93.061","0.004","90","","1255.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylammonium (2R,3R)(+)-hydrogen tartrate","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C52 H74 N2 O14 -","2","1","SQ1190","Košutić-Hulita, Nada; Miroslav Žegarac","Tolterodinium (+)-(2<i>R</i>,3<i>R</i>)-hydrogen tartrate","Acta Crystallographica Section C","2005","61","3","o171","o173","10.1107/S0108270105001599","","","1.54178","CuKα","","0.0687","0.0564","","","0.1411","0.1477","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014754","3.6509","0.0019","9.368","0.005","12.554","0.006","90","","90","","90","","429.4","0.4","293","2","293","1","","","","","","","","3","C m 2 m","C -2 -2","38","","hexaaluminium dititanium tridecaoxide","","- Al6 O13 Ti2 -","- Al5.998 O13 Ti2.002 -","- Al11.996 O26 Ti4.004 -","2","0.25","SQ1191","Stefan T. Norberg; Stefan Hoffmann; Masahiro Yoshimura; Nobuo Ishizawa","Al~6~Ti~2~O~13~, a new phase in the Al~2~O~3~‒TiO~2~ system","Acta Crystallographica Section C","2005","61","3","i35","i38","10.1107/S0108270105002532","","","0.71073","MoKα","","0.082","0.074","","0.131","0.123","0.123","","","1.394","","","1.378","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014755","9.703","0.002","15.288","0.003","8.386","0.002","90","","99.97","0.01","90","","1225.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cu N14 O6 -","- C16 H28 Cu N14 O6 -","- C32 H56 Cu2 N28 O12 -","2","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0927","0.0448","","","0.0759","0.0893","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014756","8.027","0.006","8.523","0.005","11.672","0.005","89.67","0.04","73.5","0.05","70.19","0.06","716.7","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","1","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0317","0.0261","","","0.0593","0.0609","","","","","","0.975","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014757","9.308","0.003","9.578","0.003","16.13","0.004","77.21","0.03","87.36","0.03","81.57","0.03","1387.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","brucinium L-glycerate 4.75 hydrate","brucinium L-glycerate 4.75 hydrate","","- C26 H41.5 N2 O12.75 -","- C26 H41.5 N2 O12.75 -","- C52 H83 N4 O25.5 -","2","2","SX1156","Białońska, Agata; Ciunik, Zbigniew; Popek, Tomasz; Lis, Tadeusz","Cyclic water pentamers in triclinic crystals of brucinium <small>L</small>-glycerate","Acta Crystallographica Section C","2005","61","2","o88","o91","10.1107/S0108270104031853","","","0.71073","MoKα","","0.0432","0.0369","","","0.0781","0.081","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014758","6.808","0.001","9.995","0.002","11.421","0.002","106.38","0.02","104.8","0.02","102.23","0.02","686.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylammonium 2,5-dinitrophenolate monohydrate","","- C10 H17 N3 O6 -","- C10 H17 N3 O6 -","- C20 H34 N6 O12 -","2","1","SX1165","Genivaldo Julio Perpétuo; Jan Janczak","Tetramethylammonium 2,5-dinitrophenolate monohydrate","Acta Crystallographica Section C","2005","61","3","o165","o167","10.1107/S0108270105001253","","","0.71073","MoKα","","0.1","0.0358","","","0.0561","0.0639","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014759","15.6553","0.0016","5.9436","0.0007","5.9177","0.0007","90","","93.905","0.009","90","","549.36","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium bis(hypophosphite)","strontium bis(dihydrogenphosphate)","","- H4 O4 P2 Sr -","- H4 O4 P2 Sr -","- H16 O16 P8 Sr4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0577","0.0296","","","0.0667","0.0723","","","","","","0.791","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014760","15.516","0.003","6.0081","0.0012","5.9686","0.0012","90","","93.3","0.03","90","","555.48","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lead bis(hypohposphite)","Lead bis(dihydrogenphosphate)","","- H4 O4 P2 Pb -","- H4 O4 P2 Pb -","- H16 O16 P8 Pb4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0797","0.0333","","","0.0527","0.0576","","","","","","0.994","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014761","6.239","0.0008","15.584","0.003","6.1726","0.0013","90","","90","","90","","600.15","0.19","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Barium bis(hypophosphite)","Barium bis(dihydrogenphosphate) ?","","- Ba H4 O4 P2 -","- Ba H4 O4 P2 -","- Ba4 H16 O16 P8 -","4","0.25","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71069","MoKα","","0.0532","0.0316","","","0.0748","0.0827","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014762","8.778","0.003","11.52","0.005","14.717","0.006","90","","118.05","0.03","90","","1313.4","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","345OMT","(E,E)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","0.5","TA1476","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","1","o21","o24","10.1107/S0108270104028744","","","0.71073","Mokα","","0.1417","0.0534","","","0.1131","0.1366","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014763","20.56","0.004","8.5138","0.0017","10.387","0.002","90","","97.46","0.03","90","","1802.8","0.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis[(pyridine-4-carboxylato)zinc(II)]-di-μ~3~-phosphato]","","- C12 H12 N2 O12 P2 Zn2 -","- C12 H12 N2 O12 P2 Zn2 -","- C48 H48 N8 O48 P8 Zn8 -","4","1","TA1477","Guang-Sheng Guo; Yong-Ge Wei; Jing Li; Ying Wang; Hong-You Guo","A new layered zinc phosphate templated by protonated isonicotinate, [Zn~2~(C~6~H~5~NO~2~)~2~(HPO~4~)~2~]","Acta Crystallographica Section C","2005","61","2","m87","m89","10.1107/S0108270104031671","","","0.71073","MoKα","","0.0528","0.0395","","","0.0913","0.0969","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014764","6.9077","0.0014","9.2332","0.0018","21.809","0.004","90","","91.31","0.004","90","","1390.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate","","- C2 H5 K4 O12.5 U -","- C2 H5 K4 O12.5 U -","- C8 H20 K16 O50 U4 -","4","1","TA1480","Zehnder, Ralph A.; Peper, Shane M.; Scott, Brian L.; Runde, Wolfgang H.","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate, K~4~[U(CO~3~)~2~O~2~(O~2~)]·2.5H~2~O","Acta Crystallographica Section C","2005","61","1","i3","i5","10.1107/S0108270104027994","","","0.71073","MoKα","","0.0492","0.0393","","","0.0933","0.0954","","","","","","1.561","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2014765","7.5466","0.0015","9.042","0.002","22.412","0.008","90","","90","","90","","1529.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H- pyrazole-4-carboxylate","","- C13 H18 N6 O2 -","- C13 H18 N6 O2 -","- C52 H72 N24 O8 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0457","0.0378","","","0.0959","0.1013","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014766","10.536","0.002","13.715","0.003","14.443","0.003","90","","93.57","0.008","90","","2083","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H- pyrazole-4-carboxylate","","- C18 H19 N7 O6 S -","- C18 H19 N7 O6 S -","- C72 H76 N28 O24 S4 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0883","0.0499","","","0.1147","0.1336","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014767","8.825","0.004","14.401","0.006","17.033","0.007","90","","90","","90","","2164.7","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2S,5R)-2-isopropyl- 5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0509","0.0372","","","0.0887","0.0967","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014768","8.841","0.003","11.203","0.003","19.692","0.006","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-5-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy)-4-(4-methyl-1,3- thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","","- C18 H28 N2 O3 S -","- C18 H28 N2 O3 S -","- C72 H112 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0641","0.0418","","","0.0897","0.0985","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014769","10.4682","0.0012","10.9027","0.0012","18.4929","0.0012","90","","101.39","0.007","90","","2069.1","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","","- C22 H20 O4 S3 -","- C22 H20 O4 S3 -","- C88 H80 O16 S12 -","4","1","AV1231","Özbey, Süheyla; Kaynak, F. Betül; Ertas, Erdal; Ozturk, Turan","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","Acta Crystallographica Section C","2005","61","6","o393","o395","10.1107/S0108270105005251","","","0.71073","MoKα","","","0.0356","","","","0.0998","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014770","5.2176","0.0006","8.0061","0.0009","8.7683","0.001","78.662","0.002","84.15","0.002","88.891","0.002","357.26","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(thiocarbohydrazide)thiocyanatoiron(II)","","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","1","0.5","AV1233","Guang-Qi Xiang; Wei-Dong Wang; Mao-Lin Hu; Zhi-Min Jin; Ya-Ping Lü","Bis(thiocarbohydrazide)dithiocyanatoiron(II)","Acta Crystallographica Section C","2005","61","6","m311","m312","10.1107/S0108270105009881","","","0.71073","MoKα","","0.0305","0.0297","","","0.0791","0.0801","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014771","10.4876","0.0006","11.2572","0.0007","12.4998","0.0008","99.603","0.001","110.874","0.002","112.7","0.002","1190.15","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","8,15,28,35- tetraazaheptacyclo[35.3.1.1^2,6^.1^17,21^.1^22,26^.0^9,14^.O^29,34^]tetraconta- 37,38,39,40-tetrol dimethyl sulfoxide tetrasolvate","","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","1","0.5","AV1234","Plitt, Patrick; Rominger, Frank; Krämer, Roland","<i>N</i>,<i>N</i>:<i>N</i>',<i>N</i>'-Bis(2,2'-dihydroxybiphenyl-3,3'-dimethylidene)benzene-1,2-diamine dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section C","2005","61","6","o396","o397","10.1107/S010827010501022X","","","0.71073","MoKα","","0.1137","0.0491","","","0.0933","0.1116","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014772","16.1203","0.0015","7.7373","0.0007","15.2135","0.0018","90","","90","","90","","1897.5","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[(μ-thiocyanato-1:2κ^2^S:N)bis(thiocyanato-2κN)bis(N-methylformamide- 2κO)manganese(II)mercury(II)]","","- C8 H10 Hg Mn N6 O2 S4 -","- C8 H10 Hg Mn N6 O2 S4 -","- C32 H40 Hg4 Mn4 N24 O8 S16 -","4","1","AV1235","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Zhang, Guang-Hui; Geng, Yan-Ling","Poly[bis(<i>N</i>-methylformamide)tetra-μ-thiocyanato-manganese(II)mercury(II)]","Acta Crystallographica Section C","2005","61","6","m278","m280","10.1107/S0108270105010814","","","0.71069","MoKα","","0.0701","0.0395","","","0.0679","0.0767","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014773","22.7811","0.0007","9.2121","0.0002","22.8913","0.0006","90","","97.829","0.002","90","","4759.2","0.2","130.15","0.02","130.15","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[diaquahexakis(dimethyl sulfoxide-κO)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","","- C12 H40 Ce Mo8 Na O34 S6 -","- C12 H40 Ce Mo8 Na O34 S6 -","- C48 H160 Ce4 Mo32 Na4 O136 S24 -","4","0.5","AV1236","Li-Juan Chen; Can-Zhong Lu; Quan-Zheng Zhang; Shu-Mei Chen","Poly[diaquahexakis(dimethyl sulfoxide-κ<i>O</i>)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","Acta Crystallographica Section C","2005","61","6","m269","m271","10.1107/S0108270105010206","","","0.71073","MoKα","","0.0217","0.0208","","","0.0548","0.0554","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014774","6.2082","0.0001","7.2183","0.0001","11.2335","0.0003","90","","100.477","0.002","90","","495.01","0.017","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","MIL-12 (Ga)","Digallium phosphate pentafluoride propane-1,3-diaminium","","- C3 H12 F5 Ga2 N2 O4 P -","- C3 H12 F5 Ga2 N2 O4 P -","- C6 H24 F10 Ga4 N4 O8 P2 -","2","0.5","AV1243","Loiseau, Thierry; Ferey, Gerard","A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~","Acta Crystallographica Section C","2005","61","6","m315","m317","10.1107/S0108270105014290","","","0.71073","MoKα","","0.0378","0.0279","","","0.0674","0.0722","","","","","","0.902","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014775","16.898","0.0014","7.6853","0.0007","13.2955","0.0012","90","","103.967","0.007","90","","1675.6","0.3","122","1","122","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2-methylquinolin-8-olato)nitridochromium(V)","","- C20 H16 Cr N3 O2 -","- C20 H16 Cr N3 O2 -","- C80 H64 Cr4 N12 O8 -","4","0.5","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.038","0.0284","","","0.0773","0.0846","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014776","11.0511","0.0012","14.1558","0.0012","15.2486","0.0011","90","","90","","90","","2385.4","0.4","122","1","122","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","nitridobis(2-sulfidopyridine N-oxide)chromium(V)","","- C10 H8 Cr N3 O2 S2 -","- C10 H8 Cr N3 O2 S2 -","- C80 H64 Cr8 N24 O16 S16 -","8","1","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.0348","0.0253","","","0.0648","0.0736","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014777","7.2505","0.0007","16.3379","0.001","26.4894","0.0017","90","","90","","90","","3137.9","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-1,4-benzoquinone monooxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C128 H144 N16 O32 -","16","2","BM1603","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","2,6-Dimethyl-1,4-benzoquinone 4-monooxime","Acta Crystallographica Section C","2005","61","4","o240","o242","10.1107/S0108270105005500","","","0.71073","MoKα","","0.0895","0.0481","","","0.1266","0.1425","","","","","","0.872","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014778","8.659","0.0002","14.392","0.0017","15.7057","0.0012","90","","102.519","0.014","90","","1910.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride","","- C22 H24 Cl N O2 -","- C22 H24 Cl N O2 -","- C88 H96 Cl4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0642","0.0484","","","0.1296","0.1419","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014779","8.7217","0.0004","14.7461","0.0006","15.4836","0.0006","90","","101.59","0.01","90","","1950.76","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium bromide","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0317","0.0267","","","0.0676","0.07","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014780","13.6486","0.0002","9.3529","0.0001","17.8913","0.0003","90","","109.214","0.001","90","","2156.67","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-tert-Butyl-6-phenylsulfanyl-2-[bis(pyrazol-1-yl)methyl]phenol","","- C23 H24 N4 O S -","- C23 H24 N4 O S -","- C92 H96 N16 O4 S4 -","4","1","BM1606","Isabelle Sylvestre; Colin A. Kilner; Malcolm A. Halcrow","2-[Bis(pyrazol-1-yl)methyl]-4-<i>tert</i>-butyl-6-(phenylsulfanyl)phenol","Acta Crystallographica Section C","2005","61","5","o294","o296","10.1107/S0108270105007675","","","0.71073","MoKα","","0.055","0.0442","","","0.1176","0.1288","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014781","7.405","0.002","8.89","0.004","11.883","0.003","101.39","0.03","98.05","0.02","92.7","0.03","757","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","","- C8 H24 Cu N2 O8 -","- C8 H24 Cu N2 O8 -","- C16 H48 Cu2 N4 O16 -","2","1","DN1074","Jedidi Ferjani; Graia Mohsen; Tahar Jouini","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","Acta Crystallographica Section C","2005","61","5","m237","m239","10.1107/S010827010500435X","","","0.71073","MoKα","","0.0388","0.032","","","0.0869","0.0907","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014782","10.2367","0.0009","8.4158","0.0006","7.5111","0.0007","90","","103.208","0.007","90","","629.96","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylhydrazinium dichloride","","- C2 H10 Cl2 N2 O -","- C2 H10 Cl2 N2 O -","- C8 H40 Cl8 N8 O4 -","4","1","DN1076","Günseli Turgut; Metin Zora; Odabaşoǧlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan","(2-Hydroxyethyl)hydrazinium(2+) dichloride","Acta Crystallographica Section C","2005","61","5","o321","o323","10.1107/S0108270105007183","","","0.71073","MoKα","","0.025","0.019","","","0.05","0.05","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014783","5.435","0.001","7.599","0.002","8.938","0.002","90","","90","","90","","369.14","0.14","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Li (Mo O2)2 (As O4) O","Lithium dioxomolybdenum arsenate oxide","","- As Li Mo2 O9 -","- As Li Mo2 O9 -","- As2 Li2 Mo4 O18 -","2","0.25","DN1082","Hajji, Mounir; Zid, Mohamed Faouzi; Jouini, Tahar","Li(MoO~2~)~2~O(AsO~4~)","Acta Crystallographica Section C","2005","61","5","i57","i58","10.1107/S0108270105009856","","","0.71073","MoKα","","0.023","0.0207","","","0.0557","0.059","","","","","","1.146","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014784","24.253","0.002","13.953","0.0012","20.2762","0.0019","90","","125.102","0.002","90","","5613.6","0.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","","- C25 H12 B F15 N2 -","- C25 H12 B F15 N2 -","- C200 H96 B8 F120 N16 -","8","1","DN1084","Phillips, Andrew D.; Power, Philip P.","A main-group donor‒acceptor adduct: 1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","Acta Crystallographica Section C","2005","61","5","o291","o293","10.1107/S0108270105006293","","","0.71073","MoKα","","0.0521","0.0372","","","0.098","0.1033","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014785","7.1352","0.0011","8.505","0.002","9.056","0.002","112.52","0.03","108.53","0.03","97.31","0.03","461.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium bromide monohydrate","4-(1H-pyrazol-4-yl)pyrazolium bromide monohydrate","","- C6 H9 Br N4 O -","- C6 H9 Br N4 O -","- C12 H18 Br2 N8 O2 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0563","0.0262","","","0.0663","0.0719","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014786","7.7691","0.0007","7.9578","0.0011","9.826","0.002","69.941","0.018","70.38","0.01","65.393","0.008","505.4","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium perchlorate monohydrate","4-(1H-pyrazol-4-yl)pyrazolium perchlorate monohydrate","","- C6 H9 Cl N4 O5 -","- C6 H9 Cl N4 O5 -","- C12 H18 Cl2 N8 O10 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0589","0.0372","","","0.102","0.1128","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014787","6.6274","0.0019","3.9625","0.0011","15.26","0.004","90","","100.615","0.005","90","","393.89","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C16 H16 N8 O4 -","2","0.5","DN1086","Cheruzel, Lionel E.; Mashuta, Mark S.; Buchanan, Robert M.","5,10-dihydroxy-5<i>H</i>,10<i>H</i>-diimidazo[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazine","Acta Crystallographica Section C","2005","61","6","o361","o362","10.1107/S0108270105010280","","","0.71073","MoKα","","0.0476","0.0355","","","0.068","0.0707","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014788","10.6129","0.0009","8.975","0.0005","12.6808","0.001","90","","113.227","0.006","90","","1109.96","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(acesulfamato-κ^2^N^3^,O^4^)bis(2-aminopyrimidine-κN^1^)copper(II)","bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(2-aminopyrimidine-κN^1^)copper(II)","","- C16 H18 Cu N8 O8 S2 -","- C16 H18 Cu N8 O8 S2 -","- C32 H36 Cu2 N16 O16 S4 -","2","0.5","FA1117","Bulut, Ahmet; İçbudak, Hasan; Sezer, Gözde; Kazak, Canan","Bis(acesulfamato-κ^2^<i>N</i>^3^,<i>O</i>^4^)bis(2-aminopyrimidine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2005","61","5","m228","m230","10.1107/S0108270105008188","","","0.71073","MoKα","","0.0486","0.0456","","","0.1141","0.1156","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014789","22.0496","0.0019","22.0496","0.0019","8.8155","0.0015","90","","90","","90","","4286","0.9","98","2","98","2","","","","","","","","5","I -4","I -4","82","","Poly[disodium(I)-di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato]","","- C10 H32 B2 Na2 O10 -","- C10 H32 B2 Na2 O10 -","- C80 H256 B16 Na16 O80 -","8","1","FA1119","Gainsford, Graeme J.; Kemmitt, Tim","Poly[di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato-disodium(I)]","Acta Crystallographica Section C","2005","61","4","m206","m208","10.1107/S0108270105005524","","","0.71073","MoKα","","0.0345","0.0266","","","0.0629","0.0659","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014790","5.9784","0.0009","5.9784","0.0009","5.9784","0.0009","90","","90","","90","","213.68","0.06","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Aluminum Germanium alloy","Lithium Aluminum Germanium","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0416667","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.7107","MoKα","","0.0113","0.0113","","","0.0282","0.0282","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014791","6.137","0.0008","6.137","0.0008","6.137","0.0008","90","","90","","90","","231.14","0.05","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Lithium Aluminum Germanium alloy","","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0208333","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.71073","MoKα","","0.0376","0.0376","","","0.0896","0.0896","","","","","","1.272","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014792","9.0806","0.0017","12.1903","0.0017","6.3424","0.0012","90","","106.379","0.016","90","","673.6","0.2","20","2","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ammonium copper Tutton salt","perdeuterated diammonium hexaaquacopper(II) bis(sulfate)","","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu1.932 D34.32 H5.68 N4 O28 S4 Zn0.068 -","2","0.5","FA1122","Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst","Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K","Acta Crystallographica Section C","2005","61","5","m234","m236","10.1107/S0108270105009121","","","","white-beam","","","0.0542","","","","0.0889","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014793","8.9188","0.001","5.9619","0.0011","15.4047","0.0012","90","","96.974","0.008","90","","813.05","0.19","290","","290","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cerium triiodate","","- Ce I3 O9 -","- Ce I3 O9 -","- Ce4 I12 O36 -","4","1","FA1123","Chen, Xue-An; Zhang, Li; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Cerium triiodate, Ce(IO~3~)~3~","Acta Crystallographica Section C","2005","61","6","i61","i62","10.1107/S0108270105010759","","","0.71073","MoKα","","0.0359","0.0324","","","0.0856","0.087","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014794","15.9664","0.001","13.753","0.0012","13.5082","0.0011","90","","112.343","0.006","90","","2743.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) hydrogensquarate hemihydrate","","- C32 H26 Cu N4 O4.5 -","- C32 H26 Cu N4 O4.5 -","- C128 H104 Cu4 N16 O18 -","4","1","FA1124","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) hydrogen squarate hemihydrate","Acta Crystallographica Section C","2005","61","6","m266","m268","10.1107/S010827010501053X","","","0.71073","MoKα","","0.1155","0.0408","","","0.0627","0.0753","","","","","","0.805","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2014795","9.638","0.0008","5.6665","0.0003","13.8866","0.0011","90","","107.642","0.004","90","","722.73","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba O8 Te V2 -","- Ba O8 Te V2 -","- Ba4 O32 Te4 V8 -","4","1","FA1130","Hou, Ju-Ying; Huang, Chang-Cang; Zhang, Han-Hui; Yang, Qi-Yu; Chen, Yi-Ping; Xu, Jian-Fu","Barium divanadium(V) tellurite(IV)","Acta Crystallographica Section C","2005","61","6","i59","i60","10.1107/S010827010501111X","","","0.71073","MoKα","","0.0196","0.0169","","","0.0548","0.0556","","","","","","1.234","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014796","7.5983","0.0009","7.8834","0.001","8.2843","0.001","96.126","0.01","108.37","0.01","101.011","0.01","454.8","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) dinitrate","","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0207","0.0185","","","0.0455","0.0466","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014797","7.9933","0.0005","8.099","0.0005","8.4726","0.0005","98.294","0.001","97.99","0.001","110.495","0.001","497.67","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) diperchlorate","","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0188","0.0184","","","0.0477","0.048","","","","","","1.129","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014798","9.1229","0.0003","12.098","0.0005","32.8793","0.0012","90","","90","","90","","3628.9","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-Co(en)2(N3)2 picrate","cis-diazidobis(ethylenediamine-κ^2^N,N')cobalt(III) picrate","","- C10 H18 Co N13 O7 -","- C10 H18 Co N13 O7 -","- C80 H144 Co8 N104 O56 -","8","1","FA1132","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>cis</i>-diazidobis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) picrate","Acta Crystallographica Section C","2005","61","6","m272","m274","10.1107/S0108270105011960","","","0.71073","MoKα","","0.0503","0.0423","","","0.1111","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014799","7.3269","0.0011","10.079","0.0016","21.813","0.003","90","","90","","90","","1610.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-7-propynyladenosine methanol solvate","4-amino-3-propynyl-1-(β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate","","- C14 H19 N5 O5 -","- C14 H19 N5 O5 -","- C56 H76 N20 O20 -","4","1","FG1796","Lin, Wenqing; Xu, Kui-Ying; Eickmeier, Henning; Seela, Frank","8-Aza-7-deaza-7-propynyladenosine methanol solvate","Acta Crystallographica Section C","2005","61","4","o195","o197","10.1107/S0108270105001927","","","0.71073","MoKα","","0.0755","0.0544","","","0.1494","0.1639","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014800","7.5295","0.0005","15.857","0.0013","12.3755","0.0009","90","","90.457","0.006","90","","1477.53","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","","- C24 H22 Cd2 Cl8 N6 -","- C24 H22 Cd2 Cl8 N6 -","- C48 H44 Cd4 Cl16 N12 -","2","0.5","FG1821","Xia, Chang-Kun; Zhang, Quan-Zheng; Chen, Shu-Mei; He, Xiang; Lu, Can-Zhong","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","Acta Crystallographica Section C","2005","61","4","m203","m205","10.1107/S0108270105005937","","","0.71073","MoKα","","0.0371","0.0311","","","0.0888","0.0905","","","","","","1.163","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014801","9.3933","0.0011","11.4531","0.0014","11.9823","0.0013","93.289","0.009","105.303","0.009","93.674","0.01","1237.1","0.3","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","bis(4-tert-butyl-2,6-dimethylphenyl)hexa-1,5-diyne-3,4-dione","","- C30 H34 O2 -","- C30 H34 O2 -","- C60 H68 O4 -","2","1","FG1824","Faust, Rüdiger; Bruhn, Clemens; Rossi, Sara","A diaryl-terminated hexa-1,5-diyne-3,4-dione","Acta Crystallographica Section C","2005","61","4","o253","o255","10.1107/S0108270105006426","","","0.71073","MoKα","","0.0552","0.0386","","","0.1019","0.1073","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014802","13.017","0.004","7.726","0.004","15.972","0.003","90","","95.675","0.019","90","","1598.4","1","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^N,N')chloropalladium(II)","","- C18 H12 Cl2 N2 Pd -","- C18 H12 Cl2 N2 Pd -","- C72 H48 Cl8 N8 Pd4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.0528","0.0274","","","0.0683","0.0756","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014803","19.43","0.003","8.528","0.002","11.884","0.003","90","","125.991","0.01","90","","1593.3","0.6","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Biquinoline-κ^2^N,N')chlorocopper(II)","","- C18 H12 Cl2 Cu N2 -","- C18 H12 Cl2 Cu N2 -","- C72 H48 Cl8 Cu4 N8 -","4","0.5","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1213","0.0453","","","0.1075","0.1307","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014804","7.986","0.002","12.257","0.006","16.839","0.0016","90","","102.464","0.013","90","","1609.4","0.9","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Biquinoline-κ^2^N,N')chlorozinc(II)","","- C18 H12 Cl2 N2 Zn -","- C18 H12 Cl2 N2 Zn -","- C72 H48 Cl8 N8 Zn4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1458","0.0438","","","0.0982","0.1224","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014805","10.205","0.012","13.129","0.01","25.82","0.02","90","","99.26","0.04","90","","3414","5","296.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-1,8-naphthyridine-1:2κ^2^N:N';3:4κ^2^N:N')- bis(μ~2~-salicylato-1:4κ^2^O:O';2:3κ^2^O:O')- tetrakis(salicylato-1κO;2κO;3κO;4κO)tetrasilver(I)(4 Ag—Ag)","","- C74 H56 Ag4 N8 O18 -","- C74 H56 Ag4 N8 O18 -","- C148 H112 Ag8 N16 O36 -","2","0.5","FG1829","Wang, Yue; Okabe, Nobuo","Tetrakis(μ~2~-1,8-naphthyridine)-1:2κ^4^<i>N</i>:<i>N</i>';3:4κ^4^<i>N</i>:<i>N</i>'-bis(μ~2~-salicylato)-1:4κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-tetrakis(salicylic acid)-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>,4κ<i>O</i>-tetrasilver(I)(4<i>Ag{—</i>Ag})","Acta Crystallographica Section C","2005","61","6","m263","m265","10.1107/S0108270105010498","","","0.71073","MoKα","","0.05","0.0267","","","0.0518","0.0538","","","","","","0.803","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014806","8.5791","0.0012","5.7966","0.0003","12.3414","0.0017","90","","111.645","0.01","90","","570.46","0.12","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","2,3-diphenylbuta-1,3-diene","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","FG1830","Lutz, Martin; Spek, Anthony L.; van der Wiel, Bas C.; van Walree, Cornelis A.","Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene","Acta Crystallographica Section C","2005","61","5","o300","o302","10.1107/S0108270105008978","","","0.71073","MoKα","","0.0353","0.0314","","","0.0769","0.0802","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014807","8.7065","0.0018","7.7518","0.0013","9.333","0.004","90","","109.15","0.02","90","","595","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(bromoacetamide)butane","Butane-1,4-diyl bis(bromoacetamide)","","- C8 H14 Br2 N2 O2 -","- C8 H14 Br2 N2 O2 -","- C16 H28 Br4 N4 O4 -","2","0.5","FG1832","Martínez-Palau, Meritxell; Urpí, Lourdes; Font-Bardia, Mercè; Puiggalí, Jordi","<i>N</i>,<i>N</i>'-Butane-1,4-diylbis(bromoacetamide)","Acta Crystallographica Section C","2005","61","6","o345","o347","10.1107/S0108270105011212","","","0.71073","MoKα","","0.1588","0.0599","","","0.129","0.1593","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014808","9.7456","0.0011","11.237","0.0012","14.5676","0.0016","73.043","0.002","70.943","0.002","85.26","0.002","1442.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(acetato-κ^2^O,O')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^N,N')zinc(II)] trithionate pentahydrate","","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","1","0.5","FG1836","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trithionate pentahydrate","Acta Crystallographica Section C","2005","61","6","m289","m291","10.1107/S0108270105012515","","","0.71073","MoKα","","0.0744","0.0541","","","0.1318","0.1443","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014809","10.1195","0.0006","9.8062","0.0006","8.9643","0.0006","90","","99.098","0.001","90","","878.37","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL-threonine‒arsenic acid (1/1)","","- C4 H12 As N O7 -","- C4 H12 As N O7 -","- C16 H48 As4 N4 O28 -","4","1","FG1837","Wilkinson, Hazel S.; Harrison, William T. A.","A 1:1 adduct of <small>DL</small>-threonine and arsenic acid","Acta Crystallographica Section C","2005","61","6","m253","m255","10.1107/S0108270105012291","","","0.71073","MoKα","","0.0665","0.0371","","","0.0795","0.087","","","","","","0.936","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014810","15.159","0.004","16.758","0.004","8.954","0.002","90","","116.534","0.004","90","","2035","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquabis(1H-benzimidazole-κN^3^)manganese(II)]-μ-adipato]","","- C20 H22 Mn N4 O5 -","- C20 H22 Mn N4 O5 -","- C80 H88 Mn4 N16 O20 -","4","0.5","FR1500","Yu Liu; Duan-Jun Xu; Chen-Hsiung Hung","<i>catena</i>-Poly[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-adipato]","Acta Crystallographica Section C","2005","61","4","m155","m157","10.1107/S0108270105003057","","","0.71073","MoKα","","0.05","0.038","","","0.082","0.086","","","","","","0.925","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014811","10.1041","0.0004","7.221","0.0003","17.8026","0.0007","90","","90","","90","","1298.91","0.09","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-2,5-dihydrothiophene 1-oxide","","- C4 H4 Cl2 O S -","- C4 H4 Cl2 O S -","- C32 H32 Cl16 O8 S8 -","8","1","FR1507","Pett, Virginia B.; Haynes, LeRoy W.","2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry","Acta Crystallographica Section C","2005","61","4","o211","o212","10.1107/S0108270105004257","","","0.71073","MoKα","","0.0358","0.0315","","","0.0839","0.0894","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014812","7.2618","0.0011","7.5232","0.0012","19.033","0.005","90","","92.745","0.01","90","","1038.6","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate monohydrate","","- C8 H7 N5 O3 -","- C8 H7 N5 O3 -","- C32 H28 N20 O12 -","4","1","FR1520","Tafeenko, Viktor A.; Peschar, Rene; Kajukov, Yakov S.; Kornilov, Kirill N.; Aslanov, Leonid A.","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate monohydrate","Acta Crystallographica Section C","2005","61","6","o366","o368","10.1107/S0108270105009200","","","1.54179","CuKα","","0.0454","0.0389","","","0.0997","0.104","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014813","21.593","0.005","13.328","0.005","9.352","0.005","90","0.005","104.008","0.005","90","0.005","2611.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N^1^-(4-Bromophenyl)-N^2^-hydroxy-2-oxo-2-phenylacetamidine","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","GA1096","Serkan Soylu; Murat Taş; Hümeyra Batı; Nezihe Çalışkan","<i>N</i>^1^-(4-Bromophenyl)-<i>N</i>^2^-hydroxy-2-oxo-2-phenylacetamidine","Acta Crystallographica Section C","2005","61","5","o343","o344","10.1107/S0108270105009868","","","0.71069","MoKα","","0.0813","0.0408","","","0.0793","0.0894","","","","","","0.994","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014814","9.885","0.003","8.867","0.002","17.092","0.004","90","","90","","90","","1498.1","0.7","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H16 Cl2 Cu N8 -","- C8 H16 Cl2 Cu N8 -","- C32 H64 Cl8 Cu4 N32 -","4","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0434","0.0408","","","0.1223","0.1243","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014815","8.524","0.003","8.855","0.003","9.593","0.002","90","","105.51","0.02","90","","697.7","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H12 Cl2 Cu N8 -","- C8 H12 Cl2 Cu N8 -","- C16 H24 Cl4 Cu2 N16 -","2","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0387","0.0365","","","0.1068","0.1085","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014816","11.1069","0.0018","8.2919","0.0014","18.642","0.003","90","","98.061","0.003","90","","1699.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(2-benzoylpyridine-κN)(butane-1,4-diyl)thiosemicarbazonato- κ^2^N^1^,S)copper(II)","","- C17 H17 Cl Cu N4 S -","- C17 H17 Cl Cu N4 S -","- C68 H68 Cl4 Cu4 N16 S4 -","4","1","GA1101","A. Sreekanth; V. Suni; Rohith P. John; Munirathinam Nethaji; M. R. Prathapachandra Kurup","Bis(μ-phenyl 2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-butane-1,4-diylthiosemicarbazonato)bis[chlorocopper(II)]","Acta Crystallographica Section C","2005","61","6","m284","m286","10.1107/S010827010501142X","","","0.71073","MoKα","","0.0387","0.0312","","","0.0764","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014817","11.059","0.006","14.254","0.007","14.615","0.008","87.526","0.008","74.913","0.008","87.249","0.008","2221","2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","μ-peroxodisulfato-1κO:2κO'-bis[(acetato-κ^2^O,O')aqua(2,2':6',2''- terpyridine-κ^3^N,N',N'')cadmium(II) heptahydrate","","- C34 H46 Cd2 N6 O21 S2 -","- C34 H32 Cd2 N6 O21 S2 -","- C68 H64 Cd4 N12 O42 S4 -","2","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0806","0.0458","","","0.1049","0.1214","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014818","7.334","0.0011","30.125","0.006","10.434","0.0017","90","","103.689","0.015","90","","2239.8","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(2,2'-bipyridine-κ^2^N,N')mercury(II)]-μ-peroxodisulfato- κ^2^O:O'] 0.4-hydrate]","","- C20 H16.8 Hg N4 O8.4 S2 -","- C20 H16.7988 Hg N4 O8.3994 S2 -","- C80 H67.1952 Hg4 N16 O33.5976 S8 -","4","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0368","0.0279","","","0.0585","0.0613","","","","","","0.84","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014819","14.79","0.015","9.373","0.008","15.01","0.03","90","","90","","90","","2081","5","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(Triphenylmethylsulfanyl)phthalimide","","- C27 H19 N O2 S -","- C27 H19 N O2 S -","- C108 H76 N4 O8 S4 -","4","1","GD1360","Brito, Ivań; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","<i>N</i>-(Triphenylmethylsulfanyl)phthalimide","Acta Crystallographica Section C","2005","61","4","o234","o236","10.1107/S0108270105004270","","","0.71073","MoKα","","","0.0478","","","","0.1136","","","","","","1.191","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014820","9.434","0.002","10.905","0.002","12.26","0.002","103.14","0.03","103.4","0.03","109.51","0.03","1090.8","0.6","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","9-[2,6-Dichlorophenoxy)carbonyl]-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 Cl2 F3 N O5 S -","- C22 H14 Cl2 F3 N O5 S -","- C44 H28 Cl4 F6 N2 O10 S2 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.1254","0.0438","","","0.095","0.1214","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014821","8.004","0.002","9.423","0.002","12.428","0.002","101.92","0.03","107.04","0.03","105.37","0.03","822","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-dichlorophenyl acridine-9-carboxylate","","- C20 H11 Cl2 N O2 -","- C20 H11 Cl2 N O2 -","- C40 H22 Cl4 N2 O4 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.0689","0.0328","","","0.0842","0.0982","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014822","8.743","0.002","14.696","0.003","8.565","0.003","90","","93.29","0.02","90","","1098.7","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","cobaloxime","[(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III)","","- C19 H31 Co N6 O5 -","- C19 H31 Co N6 O5 -","- C38 H62 Co2 N12 O10 -","2","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.0318","0.0246","","","0.063","0.0658","","","","","","1.211","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014823","14.1206","0.0019","14.169","0.002","12.372","0.002","90","","90","","90","","2475.3","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobaloxime","bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate","","- C20 H35 Co N6 O6 -","- C20 H35 Co N6 O6 -","- C80 H140 Co4 N24 O24 -","4","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.1613","0.0381","","","0.0783","0.1048","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014824","7.282","0.005","19.456","0.005","11.954","0.005","90","","105.326","0.005","90","","1633.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(Acridin-9-ylimino)-3-(dimethylamino)-1,3-thiazolidin-4-one","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C72 H64 N16 O4 S4 -","4","1","GD1369","Ján Imrich; Mária Vilková; Juraj Černák","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2005","61","4","o231","o233","10.1107/S0108270105005044","","","0.71069","MoKα","","0.0728","0.0353","","","0.0693","0.0785","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014825","7.2251","0.0011","11.193","0.0017","12.2219","0.0018","90","","101.099","0.002","90","","969.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-3-(5-hydroxy-4-oxo-4H-chromen-3-yl)acrylonitrile","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C48 H28 N4 O12 -","4","1","GD1370","Araya-Maturana, Ramiro; Heredia-Moya, Jorge; Pessoa-Mahana, Hernán; Weiss-López, Boris; Muñoz, Juan Carlos","(2<i>Z</i>)-3-(5-Hydroxy-4-oxo-4<i>H</i>-chromen-3-yl)acrylonitrile","Acta Crystallographica Section C","2005","61","4","o237","o239","10.1107/S0108270105004841","","","0.71073","MoKα","","0.0569","0.0414","","","0.1074","0.113","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014826","11.5493","0.0006","11.6207","0.0006","8.5251","0.0004","90","","107.334","0.002","90","","1092.2","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid","","- C10 H8 Cl F2 N O3 -","- C10 H8 Cl F2 N O3 -","- C40 H32 Cl4 F8 N4 O12 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.2354","0.1206","","","0.2782","0.3299","","","","","","1.569","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014827","4.9174","0.0003","8.3976","0.0003","13.5487","0.0007","90","","91.208","0.002","90","","559.36","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid","","- C11 H11 F2 N O3 -","- C11 H11 F2 N O3 -","- C22 H22 F4 N2 O6 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.0425","0.0358","","","0.0828","0.0862","","","","","","1.078","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014828","5.0075","0.0003","11.5863","0.0011","12.2219","0.0011","87.304","0.004","89.327","0.005","78.588","0.005","694.3","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(2-acetylaminophenyl)-2,2-difluoro-N-phenylacetamide","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C32 H28 F4 N4 O4 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1368","0.0525","","","0.0961","0.1178","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014829","16.5777","0.001","9.8176","0.0006","9.6962","0.0006","90","","96.01","0.001","90","","1569.41","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-acetylaminophenyl)-N-(4-chlorophenyl)-2,2-difluoroacetamide","","- C16 H13 Cl F2 N2 O2 -","- C16 H13 Cl F2 N2 O2 -","- C64 H52 Cl4 F8 N8 O8 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1317","0.0545","","","0.1055","0.1324","","","","","","1.003","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014830","18.472","0.004","7.3227","0.0015","18.247","0.004","90","","115.293","0.003","90","","2231.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel(II) bis(4',7-dimethoxylisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Ni O28 S2 -","- C34 H54 Ni O28 S2 -","- C68 H108 Ni2 O56 S4 -","2","0.5","GD1372","Qiu-Ya Wang; Zun-Ting Zhang","Hexaaquanickel(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","5","m215","m217","10.1107/S0108270105007250","","","0.71073","MoKα","","0.0439","0.0321","","","0.0832","0.0923","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014831","9.417","0.0002","10.832","0.0002","13.141","0.0003","67.839","0.0008","81.304","0.0009","78.316","0.0009","1211.56","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","diaquadimethanolbis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate) 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene methanol 1.72-solvate 1.28-hydrate","","- C39.72 H51.44 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","1","0.5","GD1374","Rinat Shoshnik; Helena Elengoz; Israel Goldberg","Concerted coordination and hydrogen-bonding network of the 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene [Zn(MeOH)~2~(H~2~O)~2~](ClO~4~)~2~ 3:1 complex","Acta Crystallographica Section C","2005","61","4","m187","m189","10.1107/S0108270105005329","","","0.71073","MoKα","","0.0621","0.052","","","0.1254","0.1317","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014832","8.519","0.0009","16.211","0.0015","11.862","0.002","90","","104.46","0.02","90","","1586.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","GD1376","Camerman, Arthur; Mastropaolo, Donald; Hempel, Andrew; Camerman, Norman","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate: structural determinants of benzodiazepine-receptor antagonism","Acta Crystallographica Section C","2005","61","4","o265","o266","10.1107/S0108270105005457","","","0.71073","MoKα","","0.0558","0.0394","","","0.0965","0.1074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014833","8.918","0.001","12.185","0.001","9.809","0.002","90","","106.28","0.01","90","","1023.2","0.3","295","","295","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(η^5^-Cyclopentadienyl)(N,N-dimethyldithiocarbamato-κ^2^S,S')(η^4^- tetrakis(trifluoromethyl)cyclobutadienyl)molybdenum(IV)","","- C16 H11 F12 Mo N S2 -","- C16 H11 F12 Mo N S2 -","- C32 H22 F24 Mo2 N2 S4 -","2","0.5","GD1377","Davidson, Jack L.; Jarvie, Alice; Muir, Kenneth W.","(η^5^-Cyclopentadienyl)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[η^4^-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV)","Acta Crystallographica Section C","2005","61","4","m209","m210","10.1107/S0108270105006086","","","0.71069","MoKα","","0.0289","0.0241","","","0.0655","0.0691","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014834","11.6308","0.0015","11.9248","0.0016","18.569","0.002","96.558","0.002","106.782","0.002","105.669","0.002","2321.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-diphenyl-1,3-propanedionato-κ^2^O,O'){hydrotris[3-(2-pyridyl)pyrazol- 1-yl]borato}praseodymium(III)","","- C54 H41 B N9 O4 Pr -","- C54 H41 B N9 O4 Pr -","- C108 H82 B2 N18 O8 Pr2 -","2","1","GD1380","Graham M. Davies; Harry Adams; Michael D. Ward","Bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>'){hydrotris[3-(2-pyridyl)pyrazol-1-yl]borato}praseodymium(III): another member of an unpredictable series","Acta Crystallographica Section C","2005","61","5","m221","m223","10.1107/S0108270105007791","","","0.71073","MoKα","","0.0428","0.0334","","","0.0706","0.0744","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014835","10.705","0.017","9.269","0.012","17.53","0.03","90","","97.83","0.13","90","","1723","5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,7RS,8RS)-8,9,11,12-Tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.1332","0.0634","","","0.1382","0.1589","","","","","","1.005","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014836","10.937","0.007","9.228","0.004","17.1","0.006","90","","94.83","0.04","90","","1719.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,7SR,8RS)-8,9,11,12-tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.0965","0.0531","","","0.119","0.1343","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014837","19.0297","0.0017","11.03","0.0019","12.0952","0.0019","90","","128.519","0.009","90","","1986.3","0.6","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato-κ^2^N^3^:N^3'^)zinc(II)] dihydrate]","","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","- C64 H40 N32 O32 Zn4 -","4","0.5","GD1389","Tafeenko, Viktor A.; Chernyshev, Vladimir V.","Poly[[[diaquazinc(II)]-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olato-κ^2^<i>N</i>^3^:<i>N</i>^3'^)] dihydrate]","Acta Crystallographica Section C","2005","61","6","m298","m300","10.1107/S0108270105013399","","","1.54179","CuKα","","0.0488","0.0462","","","0.0976","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014838","21.343","0.007","15.26","0.005","16.658","0.006","90","","127.094","0.005","90","","4328","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 N4 Ni O7 -","- C20 H16 Cr2 N4 Ni O7 -","- C160 H128 Cr16 N32 Ni8 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0479","0.038","","","0.0911","0.0985","","","","","","1.084","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014839","21.603","0.003","14.8505","0.0018","16.604","0.002","90","","125.682","0.002","90","","4326.8","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 Cu N4 O7 -","- C20 H16 Cr2 Cu N4 O7 -","- C160 H128 Cr16 Cu8 N32 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0365","0.0308","","","0.081","0.0848","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014840","16.74","0.005","19.173","0.005","6.632","0.002","90","","90","","90","","2128.6","1.1","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(+)-(αS,1S,4R)-α,4-dimethyl-2-oxocyclohexaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C80 H128 O24 -","8","2","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.152","0.059","","","0.074","0.093","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014841","6.728","0.002","7.455","0.002","19.829","0.005","90","","90","","90","","994.6","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3R,3aR,6R,7aR)-hexahydro-7a-hydroxy-3,6-dimethylbenzo[a]furan-2-one'","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.057","0.038","","","0.075","0.082","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014842","10.79","0.0006","18.4004","0.001","10.8403","0.0006","90","","92.877","0.001","90","","2149.5","0.2","115","2","115","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9,9'-spirobifluorene‒benzene (1/1)","","- C31 H22 -","- C31 H22 -","- C124 H88 -","4","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0556","0.042","","","0.1031","0.1108","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014843","9.774","0.004","11.427","0.004","13.075","0.005","71.339","0.008","83.106","0.009","67.03","0.007","1273.8","0.8","115","2","115","2","","","","","","","","2","P -1","-P 1","2","","9,9'-spirobifluorene‒biphenyl (1/1)","","- C37 H26 -","- C37 H26 -","- C74 H52 -","2","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.15","0.0785","","","0.1874","0.248","","","","","","0.919","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014844","18.2491","0.0017","11.1522","0.001","18.6918","0.0017","90","","117.907","0.002","90","","3361.7","0.5","115","2","115","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9,9'-spirobifluorene","","- C25 H16 -","- C25 H16 -","- C200 H128 -","8","2","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0516","0.0412","","","0.1073","0.1187","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014845","6.2517","0.0002","12.0363","0.0005","9.9464","0.0003","90","","102.927","0.003","90","","729.47","0.04","297","1","297","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(1-methylbenzimidazol-2-yl)ethene","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0427","0.0376","","","0.1061","0.111","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014846","5.1789","0.0004","11.2713","0.0008","14.4525","0.0009","90","","94.905","0.005","90","","840.55","0.1","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene","","- C20 H20 N4 -","- C20 H20 N4 -","- C40 H40 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0707","0.0555","","","0.1457","0.1562","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014847","14.381","0.0005","8.3007","0.0003","16.4788","0.0006","90","","91.561","0.003","90","","1966.38","0.12","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazol-1-ium perchlorate","","- C20 H21 Cl N4 O4 -","- C20 H21 Cl N4 O4 -","- C80 H84 Cl4 N16 O16 -","4","1","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0631","0.0492","","","0.1373","0.1483","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014848","8.326","0.005","13.588","0.005","12.401","0.005","90","0.005","90","0.005","90","0.005","1403","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)butane","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C48 H80 N24 O8 -","4","0.5","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0663","0.0333","","","0.0662","0.0715","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014849","27.01","0.003","4.2067","0.0003","12.1089","0.0014","90","","91.715","0.009","90","","1375.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-3-n-propyl-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0386","0.0351","","","0.096","0.0979","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014850","7.297","0.002","7.297","0.002","30.304","0.003","90","","90","","120","","1397.4","0.6","153.7","0.1","153.7","0.1","","","","","","","","3","P 31","P 31","144","21-De-oxy cortisone","4-Pregnen-17α-ol-3,11,20-trione","","- C21 H28 O4 -","- C21 H28 O4 -","- C63 H84 O12 -","3","1","HJ1040","Raja Dey; Vratislav Langer; P. Roychowdhury; S. Roychowdhury; M. G. B. Drew","21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione)","Acta Crystallographica Section C","2005","61","4","o201","o203","10.1107/S0108270105003756","","","0.71073","MoKα","","0.0776","0.0646","","","0.1266","0.1318","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014851","9.227","0.003","15.323","0.006","16.504","0.006","90","","90","","90","","2333.4","1.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-5-methylphenyl)ethyl]-N-[(R)-1-(2-methoxy-5- methylphenyl)-2-phenylethyl]aminium chloride","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C100 H120 Cl4 N4 O8 -","4","1","HJ1041","Yang, Xiao-Feng; Zhang, Guang-You; Zhang, Yan; Zhao, Jin-Yan; Wang, Xiang-Bo","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]aminium chloride","Acta Crystallographica Section C","2005","61","4","o262","o264","10.1107/S0108270105005676","","","0.71073","MoKα","","0.0619","0.0377","","","0.083","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014852","18.1668","0.0012","13.6273","0.001","9.2692","0.0007","90","","102.998","0.003","90","","2235.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(4-aminopyridine-κN)aquacadmium(II)]-μ-1,4- phenylenediacetato-κ^4^O,O':O'',O'''] dihydrate]","","- C20 H26 Cd N4 O7 -","- C20 H26 Cd N4 O7 -","- C80 H104 Cd4 N16 O28 -","4","1","HJ1044","Lin, Xiue; Wang, Yan-Qin; Cao, Rong; Li, Feng; Bi, Wen-Hua; Wang, Yu-Ling; Li, Xiao-Ju","A new chain-like cadmium(II) coordination polymer containing chains of water molecules","Acta Crystallographica Section C","2005","61","6","m292","m294","10.1107/S0108270105007274","","","0.71073","MoKα","","0.0526","0.0448","","","0.1398","0.148","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014853","9.254","0.003","13.726","0.004","13.572","0.005","90","","102.57","0.03","90","","1682.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","HJ1045","Zhi-Min Jin; Bin Tu; Lin He; Mao-Lin Hu; Jian-Wei Zou","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","Acta Crystallographica Section C","2005","61","4","m197","m199","10.1107/S0108270105006694","","","0.71073","MoKα","","0.0414","0.0307","","","0.0701","0.0722","","","","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014854","7.2163","0.0006","24.102","0.002","8.0669","0.0007","90","","101.776","0.001","90","","1373.5","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gallium(acacen)chloride","[N,N'-Ethylenediiminobis(acetylacetonato)]chlorogallium(III)","","- C12 H18 Cl Ga N2 O2 -","- C12 H18 Cl Ga N2 O2 -","- C48 H72 Cl4 Ga4 N8 O8 -","4","1","HJ1048","Vohs, Jason K.; Miller, Duston O.; Denomme, Dan R.; Ziller, Joseph W.; Fahlman, Bradley D.","Chloro[<i>N</i>,<i>N</i>'-ethylenediiminobis(acetylacetonato)]gallium(III)","Acta Crystallographica Section C","2005","61","6","m287","m288","10.1107/S0108270105013594","","","0.71073","MoKα","","0.0243","0.02","","","0.0487","0.0505","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014855","7.5229","0.0017","13.083","0.003","22.149","0.005","90","","90","","90","","2180","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Methyl-2-pyridone","6-Methyl-2-pyridone","","- C6 H7 N O -","- C6 H7 N O -","- C96 H112 N16 O16 -","16","4","HJ1052","Nichol, Gary S.; Clegg, William","6-Methyl-2-pyridone: an elusive structure finally solved","Acta Crystallographica Section C","2005","61","6","o383","o385","10.1107/S0108270105012485","","","0.6768","synchrotron","","0.0966","0.0504","","","0.1073","0.1275","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014856","10.0017","0.0008","13.0822","0.0008","12.071","0.0004","90","","90","","90","","1579.42","0.17","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","rubidium trigallium bis(triphosphate)","","- Ga3 O20 P6 Rb -","- Ga3 O20 P6 Rb -","- Ga12 O80 P24 Rb4 -","4","0.5","IZ1050","Lesage, Julien; Guesdon, Anne; Raveau, Bernard","RbGa~3~(P~3~O~10~)~2~: a new gallium phosphate isotypic with RbAl~3~(P~3~O~10~)~2~","Acta Crystallographica Section C","2005","61","5","i44","i46","10.1107/S0108270105006888","","","0.71069","MoKα","","0.1075","0.035","","","0.029","0.0339","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014857","10.6953","0.0012","10.5017","0.0011","7.6064","0.0011","90","","130.504","0.007","90","","649.61","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium gadolinium bis(tungstate)","","- Gd O8 Rb W2 -","- Gd O8 Rb W2 -","- Gd4 O32 Rb4 W8 -","4","0.5","IZ1053","Kun-Peng Wang; Wen-Tao Yu; Jian-Xiu Zhang; Ji-Yang Wang; Huai-Jin Zhang; Xu-Ping Wang","Rubidium gadolinium bis(tungstate)","Acta Crystallographica Section C","2005","61","6","i65","i66","10.1107/S0108270105010504","","","0.71073","MoKα","","0.053","0.0496","","","0.1324","0.1362","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014858","16.988","0.005","8.264","0.005","16.684","0.005","90","","115.545","0.005","90","","2113.3","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","","- C15 H21 K2 N O8 P2 -","- C15 H21 K2 N O8 P2 -","- C60 H84 K8 N4 O32 P8 -","4","1","JZ1691","Siquiera, Márcia R.; Facco, Janaina T.; Lang, Ernesto S.; Lorenzini, Fabiane; Rizzatti, Mara R.; Ellena, Javier; Burrow, Robert A.","Layered poly[μ~2~-aqua-μ~3~-dimethylformamide-di-μ~3~-phenylphosphonato-dipotassium]","Acta Crystallographica Section C","2005","61","4","m161","m164","10.1107/S0108270105001526","","","0.71073","MoKα","","0.0767","0.0441","","","0.1004","0.1158","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014859","9.6622","0.0002","14.9139","0.0004","13.985","0.0004","90","","90","","90","","2015.25","0.09","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","mer-Triiodotripyridineindium(III)","","- C15 H15 I3 In N3 -","- C15 H15 I3 In N3 -","- C60 H60 I12 In4 N12 -","4","0.5","JZ1705","Pardoe, Jennifer A. J.; Cowley, Andrew R.; Downs, Anthony J.; Greene, Timothy M.","<i>mer</i>-Triiodotripyridineindium(III)","Acta Crystallographica Section C","2005","61","4","m200","m202","10.1107/S0108270105006360","","","0.71073","MoKα","","0.0409","0.0248","","0.0427","0.0285","0.0285","","","","","","1.0149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014860","6.878","0.0018","10.144","0.002","17.283","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-Fluoro-2'-deoxytubercidin","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","JZ1715","Seela, Frank; Xu, Kui-Ying; Eickmeier, Henning","2'-Deoxy-5-fluorotubercidin","Acta Crystallographica Section C","2005","61","6","o408","o410","10.1107/S0108270105014265","","","0.71073","MoKα","","0.0703","0.0446","","","0.1049","0.1196","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014861","11.3534","0.0002","12.3455","0.0002","15.3328","0.0004","67.918","0.009","84.242","0.013","69.034","0.01","1858.15","0.19","173.1","","","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt)","","- C42 H32 N6 Pt2 S4 -","- C42 H32 N6 Pt2 S4 -","- C84 H64 N12 Pt4 S8 -","2","1","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.048","","","","0.085","","","","","","1.173","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014862","16.39","0.001","15.5766","0.0009","17.534","0.002","90","","118.199","0.003","90","","3945.1","0.6","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt) acetonitrile solvate","","- C44 H35 N7 Pt2 S4 -","- C44 H35 N7 Pt2 S4 -","- C176 H140 N28 Pt8 S16 -","4","0.5","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.031","","","","0.074","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014863","7.9319","0.0011","13.6577","0.0014","12.089","0.0012","90","","103.903","0.012","90","","1271.3","0.3","290","2","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-benzoylpyridinium betaine of squaric acid","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","","- C16 H9 N O4 -","- C16 H9 N O4 -","- C64 H36 N4 O16 -","4","1","OB1218","Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova; Michael Spiteller","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","Acta Crystallographica Section C","2005","61","4","o213","o215","10.1107/S0108270105003069","","","0.71073","MoKα","","0.1423","0.0673","","","0.1832","0.2363","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014864","17.025","0.01","12.828","0.007","14.096","0.008","90","","110.075","0.006","90","","2891","3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^S:S')bis[(2-carboxylatopyridine- 6-carboxylic acid-κ^2^N,O)silver(I)]","","- C30 H24 Ag2 N2 O8 S2 -","- C30 H24 Ag2 N2 O8 S2 -","- C120 H96 Ag8 N8 O32 S8 -","4","0.5","OB1220","Liu, Shu-Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Ning, Gui-Ling; Munakata, Megumu","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>')bis[(6-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^6^)silver(I)]: a mixed-ligand silver-based dinuclear compound","Acta Crystallographica Section C","2005","61","4","m194","m196","10.1107/S0108270105006372","","","0.7107","MoKα","","","0.0263","","","","0.0597","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014865","9.0307","0.0009","10.4375","0.0012","16.1471","0.0018","90","","90","","90","","1522","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[copper(II)-μ-L-tyrosyl-L-leucinato]","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","OB1224","Ricardo Baggio; Nieves M. C. Casado; Rafael Calvo; Raul E. Rapp; María Teresa Garland","<i>catena</i>-Poly[copper(II)-μ-<small>L</small>-tyrosyl-<small>L</small>-leucinato]","Acta Crystallographica Section C","2005","61","5","m250","m252","10.1107/S010827010500987X","","","0.71073","MoKα","","0.09","0.048","","","0.094","0.111","","","","","","1.015","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014866","10.675","0.002","7.3502","0.0015","5.1968","0.0011","90","","103.877","0.003","90","","395.86","0.14","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1S*,2S*,4S*,5S*)Cyclohexane-1,2,4,5-tetrol monohydrate","","- C6 H14 O5 -","- C6 H14 O5 -","- C12 H28 O10 -","2","0.5","OB1226","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol monohydrate","Acta Crystallographica Section C","2005","61","6","o358","o360","10.1107/S0108270105011066","","","0.71073","MoKα","","0.0333","0.0331","","","0.082","0.0822","","","","","","1.168","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014867","23.5785","0.0005","12.1715","0.0003","7.6545","0.0002","90","","90","","90","","2196.73","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-salicylato-κ^2^O:O')(1,10-phenanthroline-κ^2^N,N')manganese(II)]","","- C26 H18 Mn N2 O6 -","- C26 H18 Mn N2 O6 -","- C104 H72 Mn4 N8 O24 -","4","0.5","OB1227","Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","6","m256","m258","10.1107/S0108270105011078","","","0.71069","MoKα","","0.053","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014868","8.0366","0.001","8.8767","0.0011","14.3438","0.0017","94.121","0.002","95.416","0.002","115.946","0.002","908.67","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-(n-hexyl)-3-methyl-4-[1-(phenylimino)propyl]-2-pyrazol-5-olato}copper(II)","","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","1","0.5","OB1229","Fredy R. Pérez; Julio Belmar; Claudio Jiménez; Yanko Moreno; Patricio Hermosilla; Ricardo Baggio","Bis{1-<i>n</i>-hexyl-3-methyl-4-[1-(phenylimino)propyl]-1<i>H</i>-pyrazol-5-olato}copper(II): a new copper(II) complex with a chelating alkylpyrazolone-based enamine","Acta Crystallographica Section C","2005","61","6","m318","m320","10.1107/S0108270105014538","","","0.71073","MoKα","","0.1008","0.0661","","","0.1237","0.1386","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014869","9.405","0.002","10.683","0.002","14.211","0.002","94.02","0.01","100.62","0.02","111.21","0.01","1293.7","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","Sodium trans-cyano(trans-6,13-dimethyl-,1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt triperchlorate","","- C13 H30 Cl3 Co N7 Na O12 -","- C13 H30 Cl3 Co N7 Na O12 -","- C26 H60 Cl6 Co2 N14 Na2 O24 -","2","1","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0689","0.0385","","","0.0968","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014870","9.0697","0.0003","10.5362","0.0005","13.3674","0.0009","87.805","0.006","82.909","0.007","81.743","0.005","1254.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","trans-Dicyano(trans-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt(III) trans-dicyano(trans-6,13-dimethyl- 1,4,8,11-tetraazacyclotetradecane-6,13-diaminium)cobalt(III) tetraperchlorate tetrahydrate","","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","1","0.5","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0699","0.0593","","","0.1565","0.1657","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014871","7.4954","0.0004","16.3529","0.0008","16.9711","0.0008","93.024","0.002","96.132","0.002","90.623","0.002","2065.11","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","","- C46 H34 N14 Pt -","- C46 H34 N14 Pt -","- C92 H68 N28 Pt2 -","2","1","SF1000","Schlueter, John A.; Funk, Russell J.; Geiser, Urs","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","Acta Crystallographica Section C","2005","61","6","m304","m306","10.1107/S0108270105010140","","","0.71073","MoKα","","0.0412","0.0276","","","0.0606","0.0651","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014872","23.685","0.005","14.183","0.002","25.264","0.008","90","","108.941","0.016","90","","8027","3","298","2","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(di-2-pyridyl sulfide-κ^2^N,N')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^N,S)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","","- C33 H30 F12 N8 P2 Ru S3 -","- C33 H30 F12 N8 P2 Ru S3 -","- C264 H240 F96 N64 P16 Ru8 S24 -","8","1","SK1808","Bruno, Giuseppe; Rotondo, Archimede; Tresoldi, Giuseppe; Nicoló, Francesco; Lanza, Santo","Bis(di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^<i>N</i>,<i>S</i>)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section C","2005","61","4","m169","m172","10.1107/S0108270105004634","","","0.71073","MoKα","","","0.0503","","","","0.1139","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014873","5.8015","0.0014","7.626","0.0019","20.661","0.005","90","","91.254","0.003","90","","913.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0538","0.0463","","","0.1202","0.1263","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014874","8.8978","0.0009","12.5893","0.0012","13.1797","0.0013","90","","102.157","0.002","90","","1443.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-Benzylidene-3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","2-(2-hydroxybenzylidene)-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0701","0.0509","","","0.1231","0.1345","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014875","6.9964","0.0001","22.4244","0.0004","7.2085","0.0001","90","","93.091","0.0011","90","","1129.3","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-N-(2-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C48 H32 Cl4 N12 O12 -","4","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.0418","0.0381","","","0.1014","0.104","","","","","","1.193","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014876","7.5607","0.0004","7.6518","0.0003","12.6775","0.0005","81.177","0.003","84.367","0.002","61.172","0.002","634.69","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-N-(3-nitrophenyl)nicotinamide monohydrate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.057","0.0438","","","0.119","0.1285","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014877","7.2385","0.0002","24.5094","0.0006","13.5018","0.0004","90","","92.834","0.002","90","","2392.44","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-(4-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C96 H64 Cl8 N24 O24 -","8","2","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.1008","0.0514","","","0.1195","0.143","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014878","7.258","0.002","14.422","0.004","18.312","0.005","82.428","0.004","80.697","0.004","86.409","0.004","1873.4","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-5-sulfosalicylato(3-)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","1","0.5","SK1813","Fan, Sai-Rong; Cai, Guo-Qiang; Zhu, Long-Guan; Xiao, Hong-Ping","A mixed-valence Cu^II^/Cu^I^ anion‒cation complex: bis[μ-5-sulfosalicylato(3‒)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","Acta Crystallographica Section C","2005","61","4","m177","m179","10.1107/S0108270105004580","","","0.71073","MoKα","","0.0754","0.0692","","","0.1441","0.1475","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014879","11.9288","0.0006","7.0604","0.0002","13.8337","0.0007","90","","90","","90","","1165.1","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-4-nitrophthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","1","SK1814","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(12) rings in <i>N</i>-phenyl-4-nitrophthalimide","Acta Crystallographica Section C","2005","61","4","o209","o210","10.1107/S0108270105004245","","","0.71073","MoKα","","0.0818","0.0677","","","0.1623","0.1705","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014880","10.5399","0.0007","11.2005","0.0007","13.495","0.0009","82.597","0.001","83.89","0.001","80.884","0.001","1553.85","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","8-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.0634","0.0528","","","0.1231","0.1291","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014881","8.3032","0.0008","10.519","0.0011","18.1165","0.0018","104.234","0.002","92.309","0.002","91.783","0.002","1531.1","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","10-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.079","0.0668","","","0.1588","0.1655","","","","","","1.161","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014882","14.1311","0.0003","14.1311","0.0003","20.2206","0.0006","90","","90","","90","","4037.81","0.17","160","1","160","1","","","","","","","","4","I -4 c 2","I -4 -2c","120","","exo-8-(trifluoromethyl)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- endo-8-ol","","- C12 H13 F3 O -","- C12 H13 F3 O -","- C192 H208 F48 O16 -","16","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0743","0.0611","","","0.1626","0.1744","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014883","18.0861","0.0004","18.0861","0.0004","6.4388","0.0001","90","","90","","120","","1824","0.06","160","1","160","1","","","","","","","","3","P 31","P 31","144","","pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C11 H10 O2 -","- C11 H10 O2 -","- C99 H90 O18 -","9","3","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0542","0.0428","","","0.0939","0.101","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014884","7.4499","0.0003","12.0228","0.0005","11.6047","0.0003","90","","108.082","0.002","90","","988.08","0.06","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(trifluoromethyl)-4- oxahexacyclo[5.4.1.0^2,6^.0^3,10^.0^5,9^.0^8,11^]dodecan-3-ol","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C48 H44 F12 O8 -","4","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0676","0.0475","","","0.1167","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014885","8.8352","0.0002","9.3775","0.0003","12.6843","0.0005","100.268","0.0015","91.417","0.002","94.652","0.002","1029.86","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","N-phenyl-[exo-11-(trifluoromethyl)-endo-11- (trimethylsilyloxy)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- 8-yliden]amine methanol solvate","","- C22 H28 F3 N O2 Si -","- C22 H28 F3 N O2 Si -","- C44 H56 F6 N2 O4 Si2 -","2","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0748","0.0516","","","0.1216","0.1356","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014886","8.3703","0.0002","8.25","0.0001","14.1375","0.0003","90","","101.019","0.001","90","","958.27","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0522","0.0427","","","0.1066","0.1144","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014887","6.6318","0.0002","7.0944","0.0003","10.426","0.0005","90","","108.234","0.002","90","","465.9","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C20 H16 N4 O8 -","2","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0348","0.0305","","","0.0748","0.0778","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014888","10.3731","0.0019","11.59","0.002","7.9761","0.0018","90","","108.135","0.016","90","","911.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Nitrophenyl)phthalimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","0.5","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.1057","0.0578","","","0.1456","0.1666","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014889","22.878","0.003","4.7657","0.0005","16.789","0.002","90","","116.759","0.009","90","","1634.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0556","0.0413","","","0.1115","0.118","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014890","8.3566","0.0012","14.246","0.002","14.779","0.002","90","","90","","90","","1759.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-bis(4-bromobutyl)-2,2'-bipyridine","","- C18 H22 Br2 N2 -","- C18 H22 Br2 N2 -","- C72 H88 Br8 N8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0609","0.0369","","","0.0827","0.0907","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014891","16.0068","0.001","7.8616","0.0005","13.5718","0.0009","90","","113.377","0.001","90","","1567.67","0.17","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodoanilinium 2-carboxy-6-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C56 H44 I4 N8 O24 -","4","1","SK1819","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2005","61","4","o246","o248","10.1107/S0108270105006013","","","0.71073","MoKα","","0.0779","0.0432","","","0.1022","0.1134","","","","","","0.948","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014892","24.0634","0.0001","7.3465","0.0001","22.4459","0.0003","90","","114.332","0.001","90","","3615.56","0.08","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","threo-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane- 1,3-diol","","- C19 H24 O8 -","- C19 H24 O8 -","- C152 H192 O64 -","8","1","SK1820","Lundquist, Knut; Li, Shi-Ming; Langer, Vratislav","<i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study","Acta Crystallographica Section C","2005","61","4","o256","o258","10.1107/S0108270105006359","","","0.71073","MoKα","","0.0656","0.0499","","","0.1351","0.1458","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014893","12.154","0.0002","11.2982","0.0003","13.2965","0.0003","90","","93.346","0.0016","90","","1822.74","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[chloro(triphenylphosphine)mercury(II)]","","- C36 H30 Cl4 Hg2 P2 -","- C36 H30 Cl4 Hg2 P2 -","- C72 H60 Cl8 Hg4 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0329","0.024","","","0.0459","0.0482","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014894","11.4078","0.0002","12.498","0.0004","13.9124","0.0004","90","","96.327","0.0017","90","","1971.47","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[iodo(triphenylphosphine)mercury(II)]","","- C36 H30 Hg2 I4 P2 -","- C36 H30 Hg2 I4 P2 -","- C72 H60 Hg4 I8 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0323","0.025","","","0.0533","0.0552","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014895","12.8131","0.001","7.5521","0.0006","28.114","0.002","90","","98.13","0.03","90","","2693.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium 2-carboxy-4-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.1529","0.0767","","","0.1773","0.2096","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014896","12.7725","0.0016","7.5825","0.0007","29.595","0.003","90","","97.202","0.005","90","","2843.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chloroanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0909","0.0719","","","0.1781","0.19","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014897","12.8292","0.0006","7.575","0.0003","29.8202","0.0013","90","","97.027","0.0011","90","","2876.2","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Br N2 O6 -","- C14 H11 Br N2 O6 -","- C112 H88 Br8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0495","0.0428","","","0.1095","0.1135","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014898","12.9459","0.0003","7.5576","0.0001","30.179","0.0006","90","","96.784","0.001","90","","2932.04","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C112 H88 I8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.051","0.0394","","","0.1284","0.1599","","","","","","1.131","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014899","11.3221","0.0009","7.7824","0.0004","12.6314","0.0011","90","","116.535","0.006","90","","995.75","0.14","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaquabis(pyridine-4-carboxamide-κN)copper(II)]-μ~2~-squarato- κO^1^:O^3^] dihydrate]","","- C16 H20 Cu N4 O10 -","- C16 H20 Cu N4 O10 -","- C32 H40 Cu2 N8 O20 -","2","0.5","SK1824","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","<i>catena</i>-Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>)copper(II)]-μ~2~-squarato-κ<i>O</i>^1^:<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","5","m218","m220","10.1107/S0108270105008164","","","0.71073","MoKα","","0.0428","0.0273","","","0.059","0.0611","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014900","3.7852","0.0012","6.9366","0.0009","8.501","0.003","90","0.02","90","","90","","223.21","0.11","17.5","","17.5","","","","","","","","","3","P 21/m 1 1","P -2x 2xabv","","Titanium(III)-oxybromide","titanium(III) oxybromide","","- Br O Ti -","- Br O Ti -","- Br4 O4 Ti4 -","4","1","SK1825","Palatinus, Lukáš; Schönleber, Andreas; van Smaalen, Sander","The twofold superstructure of titanium(III) oxybromide at <i>T</i> = 17.5 K","Acta Crystallographica Section C","2005","61","5","i47","i48","10.1107/S010827010500867X","","","0.5","synchrotron","","0.0233","0.0182","","","0.0268","0.0287","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014901","7.5404","0.0002","6.5754","0.0002","31.4285","0.001","90","","94.6675","0.0015","90","","1553.09","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin- 2-yl)-(S)-glutamato]hexaaquabarium]-μ-N-(4-amino-1,6-dihydro-1-methyl-5- nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]","","- C20 H36 Ba N10 O18 -","- C20 H36 Ba N10 O18 -","- C40 H72 Ba2 N20 O36 -","2","1","SK1826","López Garzón, Rafael; López León, M. Dolores; Low, John N.; Glidewell, Christopher","<i>catena</i>-Poly[[[<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]hexaaquabarium]-μ-<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]: coordination polymer chains linked into a three-dimensional framework by N—H···O and O—H···O hydrogen bonds","Acta Crystallographica Section C","2005","61","5","m224","m227","10.1107/S0108270105008474","","","0.71073","MoKα","","0.0629","0.0417","","","0.0757","0.0826","","","","","","0.999","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2014902","10.222","0.0009","11.0636","0.001","20.9787","0.0018","90","","96.728","0.001","90","","2356.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","butobarbitone","5-butyl-5-ethylbarbituric acid","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C80 H128 N16 O24 -","8","2","SK1827","Nichol, Gary S.; Clegg, William","5-Butyl-5-ethylbarbituric acid: a phase transition at low temperature","Acta Crystallographica Section C","2005","61","5","o297","o299","10.1107/S0108270105008486","","","0.6933","synchrotron","","0.0703","0.0616","","","0.1661","0.1752","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014903","6.1293","0.0003","13.9633","0.0008","13.2727","0.0008","90","","97.688","0.004","90","","1125.74","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-benzylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.095","0.0691","","","0.1835","0.2008","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014904","5.6946","0.0002","8.2994","0.0003","14.0411","0.0005","73.558","0.0017","87.393","0.002","77.037","0.002","620.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(3-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0554","0.0397","","","0.1089","0.1318","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014905","7.5906","0.0006","8.2989","0.0007","10.301","0.001","92.544","0.006","93.074","0.005","104.456","0.006","626.33","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(4-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0648","0.0461","","","0.1248","0.136","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014906","8.6187","0.0002","8.8451","0.0003","9.0566","0.0003","82.298","0.0018","84.465","0.002","82.365","0.002","675.94","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0456","0.0393","","","0.1041","0.1084","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014907","9.604","0.0003","11.6691","0.0004","17.2905","0.0006","97.486","0.0016","92.554","0.0018","90.006","0.002","1919.29","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[3,5-di-tert-butyl-4-hydroxybenzylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.1099","0.0702","","","0.1604","0.1789","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014908","15.3033","0.0008","3.7952","0.0003","23.3097","0.0016","90","","97.836","0.004","90","","1341.16","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I1.118 N2.882 O1.764 -","- C14 H10 I1.118 N2.882 O1.764 -","- C56 H40 I4.472 N11.528 O7.056 -","4","0.5","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0658","0.0464","","","0.0913","0.0997","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014909","7.2969","0.0003","7.3235","0.0003","13.7939","0.0006","97.405","0.002","100.41","0.002","107.59","0.003","677.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Iodophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C28 H20 I2 N6 O4 -","2","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0267","0.0225","","","0.0613","0.0846","","","","","","1.28","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014910","27.947","0.0011","8.0563","0.0003","13.7464","0.0005","90","","117.425","0.001","90","","2747.16","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C112 H80 I8 N24 O16 -","8","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0445","0.0297","","","0.0737","0.0788","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014911","3.8052","0.0003","17.9667","0.0013","12.0417","0.0009","90","","93.224","0.002","90","","821.95","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-6-chloro-4-nitroaniline","","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C24 H16 Br3.6 Cl4.4 N8 O8 -","4","1","SK1832","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: simple <i>C</i>(8) chains in 2-bromo-6-chloro-4-nitroaniline","Acta Crystallographica Section C","2005","61","5","o336","o338","10.1107/S0108270105010085","","","0.71073","MoKα","","0.0657","0.0396","","","0.0813","0.0871","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014912","7.3074","0.0009","22.968","0.003","7.8343","0.0009","90","","91.972","0.01","90","","1314.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0589","0.0399","","","0.0822","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014913","12.2802","0.0017","9.4904","0.001","11.5764","0.0015","90","","116.637","0.016","90","","1206","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4-dihydroxy-α,β-dihydrochalcone","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0425","0.0323","","","0.0789","0.0837","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014914","11.93","0.002","11.931","0.003","11.225","0.002","90","","90","","90","","1597.7","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","catena-Poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-azido]","","- C17 H16 Co N5 O2 -","- C17 H16 Co N5 O2 -","- C68 H64 Co4 N20 O8 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0535","0.0487","","","0.1266","0.1304","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014915","12.566","0.007","11.679","0.007","11.515","0.007","90","","90","","90","","1689.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato]","","- C18 H16 Co N3 O2 S -","- C18 H16 Co N3 O2 S -","- C72 H64 Co4 N12 O8 S4 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0695","0.0539","","","0.1208","0.1286","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014916","7.6223","0.0002","16.7937","0.0007","24.49","0.0009","90","","90","","90","","3134.88","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C168 H136 N24 -","8","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0857","0.0491","","","0.107","0.1209","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014917","7.2767","0.0013","29.924","0.006","8.0463","0.0012","90","","112.59","0.006","90","","1617.6","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0912","0.0782","","","0.2316","0.2479","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014918","8.1092","0.0001","11.7265","0.0002","16.3486","0.0003","90","","90.901","0.0012","90","","1554.44","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0458","0.0387","","","0.0968","0.1019","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014919","7.9037","0.0007","13.1038","0.001","16.0576","0.0013","90","","99.199","0.006","90","","1641.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0516","0.0447","","","0.1181","0.1244","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014920","7.381","0.0002","10.8016","0.0003","22.1319","0.0005","90","","90","","90","","1764.5","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","SK1842","Torres, Harlen; Braulio Insuasty; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine: a three-dimensional framework structure generated by two C—H···O hydrogen bonds and one C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","6","o404","o407","10.1107/S010827010501379X","","","0.71073","MoKα","","0.0485","0.0438","","","0.1036","0.1065","","","","","","1.159","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014921","12.7985","0.001","4.0684","0.0003","16.6766","0.0014","90","","95.918","0.004","90","","863.71","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0839","0.0517","","","0.1119","0.1247","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014922","7.5118","0.0002","8.8121","0.0003","15.6709","0.0004","81.825","0.001","82.75","0.002","79.459","0.002","1004.1","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,4,5- trimethoxyphenyl)propenone","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C44 H42 Cl2 N4 O8 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0392","0.0328","","","0.0844","0.0879","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014923","6.3199","0.0006","7.3333","0.0009","40.438","0.007","90","","93.571","0.012","90","","1870.5","0.4","157","2","157","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(pent-2-enyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.0806","0.0584","","","0.0937","0.101","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014924","7.3219","0.0018","6.3291","0.0017","40.535","0.017","90","","93.419","0.012","90","","1875.1","1","156","2","156","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(2-pentenyl)-N-(3-phenyl-2-propynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.1242","0.0866","","","0.1552","0.1707","","","","","","1.189","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014925","9.841","0.002","15.249","0.003","15.234","0.003","104.17","0.02","96.65","0.02","96.86","0.02","2175.5","0.8","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","bis(N-nitrocyanamidato-κN)tetrakis(1H-imidazole-κN^3^)copper(II)","","- C14 H16 Cu N14 O4 -","- C14 H16 Cu N14 O4 -","- C56 H64 Cu4 N56 O16 -","4","2","SQ1193","Díaz, Jesús García,; Kožíšek, Jozef; Fronc, Marek; Gatial, Anton; Svoboda, Ingrid; Langer, Vratislav","Pseudo-merohedrally twinned tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(<i>N</i>-nitrocyanamidato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","4","m180","m182","10.1107/S0108270105004956","","","0.71073","MoKα","","0.0419","0.0376","","","0.0851","0.0883","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014926","13.3237","0.0002","4.0455","0.0004","21.484","0.003","90","","92.9","0.01","90","","1156.5","0.2","297","2","297","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Silver bismuth sulfide (3.5/7.5/13)","","- Ag3.5 Bi7.5 S13 -","- Ag3.5 Bi7.5002 S13 -","- Ag7 Bi15.0004 S26 -","2","0.25","SQ1196","Poudeu Poudeu, Pierre F.; Ruck, Michael","Ag~3.5~Bi~7.5~S~13~, a new member (<i>N</i>=8) of the homologous series [Bi~2~S~3~]~2~·[AgBiS~2~]~(<i>N~{-</i>1)/2}","Acta Crystallographica Section C","2005","61","5","i41","i43","10.1107/S0108270105007493","","","0.71073","MoKα","","0.0576","0.0435","","","0.0979","0.1044","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014927","6.075","0.0011","11.6306","0.0015","14.484","0.002","90","","90","","90","","1023.4","0.3","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Hydroxybenzylideneaniline","2-(phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","SQ1198","Arod, Frédéric; Gardon, Manuel; Pattison, Philip; Chapuis, Gervais","The α~2~-polymorph of salicylideneaniline","Acta Crystallographica Section C","2005","61","5","o317","o320","10.1107/S010827010500911X","","","0.71073","MoKα","","0.0548","0.0412","","","0.0952","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014928","6.1555","0.0002","12.399","0.0002","13.3019","0.0002","90","","90","","90","","1015.23","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,8aR)-4a-Methoxy-3-methyleneperhydrochromen-2-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","SQ1200","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. III. <i>trans</i>-(4a<i>R</i>,8a<i>R</i>)-4a-Methoxy-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2005","61","6","o351","o353","10.1107/S0108270105010607","","","1.54178","CuKα","","0.0299","0.0295","","","0.0794","0.0799","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014929","9.78393","0.00002","9.78393","0.00002","19.01318","0.00003","90","","90","","90","","1820.04","0.006","298","","298","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Strontium borophosphate","","- B O20 P5 Sr6 -","- B O20 P5 Sr6 -","- B4 O80 P20 Sr24 -","4","0.25","SQ1203","Namsoo Shin; Jinyoung Kim; Docheon Ahn; Kee-Sun Sohn","A new strontium borophosphate, Sr~6~BP~5~O~20~, from synchrotron powder data","Acta Crystallographica Section C","2005","61","5","i54","i56","10.1107/S0108270105009819","","","1.5452","synchrotron","","","","","","","","","","2.21","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014930","18.4801","0.0005","13.5715","0.0004","6.6904","0.0002","90","","108.364","0.001","90","","1592.52","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","barium chlorite hydrate","Barium chlorite hydrate","","- Ba Cl2 H7 O7.5 -","- Ba Cl2 H7 O7.5 -","- Ba8 Cl16 H56 O60 -","8","1","SQ1204","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Barium chlorite hydrate, Ba(ClO~2~)~2~·3.5H~2~O","Acta Crystallographica Section C","2005","61","5","i49","i50","10.1107/S010827010500925X","","","0.71073","MoKα","","0.0262","0.0197","","","0.0495","0.051","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014931","13.5669","0.0012","14.0474","0.0012","15.4195","0.0014","84.568","0.002","66.5","0.001","67.199","0.001","2478.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","","- C62 H49 B Co N8 O2 -","- C62 H49 B Co N8 O2 -","- C124 H98 B2 Co2 N16 O4 -","2","1","SQ1208","Harding, David J.; Adams, Harry; Tuntulani, Thawatchai","B—N bond cleavage by cobalt(II) in acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","Acta Crystallographica Section C","2005","61","6","m301","m303","10.1107/S0108270105014277","","","0.71073","MoKα","","0.0727","0.0435","","","0.0938","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014932","8.75","0.002","11.566","0.003","14.383","0.004","98.54","0.004","104.135","0.004","99.119","0.004","1366.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10- tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","1","0.5","SQ1209","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10-tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","Acta Crystallographica Section C","2005","61","6","o411","o413","10.1107/S010827010501437X","","","0.71073","MoKα","","0.1941","0.077","","","0.1739","0.2325","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014933","6.842","0.003","8.026","0.002","14.215","0.003","73.99","0.02","82.82","0.03","86.17","0.03","744","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","propomt","(E,E)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","SX1163","Vande Velde, Christophe M.L.; Baeke, Jan K.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","5","o284","o287","10.1107/S0108270105007778","","","0.71073","MoKα","","0.2201","0.0869","","","0.2136","0.2721","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014934","13.714","0.003","10.456","0.004","20.781","0.003","90","","101.365","0.005","90","","2921.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Cinnamoylsaccharin","2-cinnamoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C128 H88 N8 O32 S8 -","8","1","SX1166","Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Sarı, Uǧur; Erdönmez, Ahmet","<i>N</i>-Cinnamoylsaccharin","Acta Crystallographica Section C","2005","61","4","o243","o245","10.1107/S0108270105005160","","","0.71069","MoKα","","0.058","0.045","","","0.127","0.138","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014935","4.7695","0.0002","16.1323","0.0005","8.6789","0.0003","90","","103.636","0.001","90","","648.96","0.04","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trihydrate","2-(2-ammonio-3-methylbutanamido)-3-hydroxypropanoate trihydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C16 H44 N4 O14 -","2","1","SX1167","Johansen, Arne; Midtkandal, Randi; Roggen, Heidi; Görbitz, Carl Henrik","<small>L</small>-Valyl-<small>L</small>-serine trihydrate","Acta Crystallographica Section C","2005","61","4","o198","o200","10.1107/S0108270105003732","","","0.71073","MoKα","","0.0351","0.0312","","","0.0807","0.083","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014936","7.3244","0.0004","8.7417","0.0005","20.0952","0.0012","90","","90","","90","","1286.65","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Strontium D-glutamate hexahydrate","Strontium D-glutamate hexahydrate","","- C5 H19 N O10 Sr -","- C5 H19 N O10 Sr -","- C20 H76 N4 O40 Sr4 -","4","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.0325","0.0277","","","0.0497","0.0507","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014937","8.7097","0.0005","7.245","0.0004","14.5854","0.0008","90","","100.521","0.001","90","","904.89","0.09","117","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Strontium di(hydrogen-L-glutamate) pentahydrate","Strontium di(hydrogen-L-glutamate) pentahydrate","","- C10 H26 N2 O13 Sr -","- C10 H26 N2 O13 Sr -","- C20 H52 N4 O26 Sr2 -","2","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.029","0.0256","","","0.0528","0.0536","","","","","","0.794","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014938","14.4024","0.0019","4.8171","0.0004","17.84","0.002","90","","91.51","0.011","90","","1237.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(4-methylphenyl)triazene","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.0671","0.033","","","0.0633","0.0655","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014939","14.5","0.003","4.7385","0.0005","17.848","0.003","90","","92.298","0.016","90","","1225.3","0.4","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C48 H36 Cl4 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1704","0.0867","","","0.2182","0.2534","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014940","13.683","0.003","4.7712","0.0006","17.742","0.004","90","","92.512","0.018","90","","1157.2","0.4","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","","- C13 H12 F N3 -","- C13 H12 F N3 -","- C52 H48 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1532","0.0519","","","0.0942","0.1103","","","","","","0.85","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014941","19.37","0.01","29.796","0.007","9.91","0.003","90","","90","","90","","5720","4","298","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H54 Cl6 Cu N6 O4 -","- C60 H54 Cl6 Cu N6 O4 -","- C240 H216 Cl24 Cu4 N24 O16 -","4","0.5","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0499","","","","0.1633","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014942","14.313","0.004","15.888","0.005","11.863","0.004","90.13","0.03","95","0.03","63.58","0.02","2404.7","1.4","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cu N6 O4 -","- C58 H52 Cu N6 O4 -","- C116 H104 Cu2 N12 O8 -","2","1","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0689","","","","0.1607","","","","","","0.85","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014943","9.264","0.004","9.937","0.006","20.751","0.008","78.28","0.04","87.01","0.03","77.31","0.04","1824.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene diperchlorate dihydrate","","- C34 H42 Cl2 N6 O10 -","- C34 H42 Cl2 N6 O10 -","- C68 H84 Cl4 N12 O20 -","2","1","TA1487","Gnana Sutha S.; Babu Varghese; Narasimha N. Murthy","The perchlorate salt of the novel diprotonated dinucleating ligand 1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene","Acta Crystallographica Section C","2005","61","6","o380","o382","10.1107/S010827010501245X","","","0.71073","MoKα","","0.135","0.0677","","","0.1714","0.2123","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014944","6.5408","0.0009","21.947","0.003","6.9672","0.001","90","","109.304","0.011","90","","943.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilead trimercury chromate(VI)","","- Cr Hg3 O8 Pb2 -","- Cr Hg3 O8 Pb2 -","- Cr4 Hg12 O32 Pb8 -","4","1","TA1488","Klein, Wilhelm; Curda, Jan; Jansen, Martin","Dilead(II) trimercury(II) tetraoxide chromate(VI), Pb~2~(Hg~3~O~4~)(CrO~4~)","Acta Crystallographica Section C","2005","61","6","i63","i64","10.1107/S0108270105012552","","","0.71073","MoKα","","0.0498","0.0447","","","0.1145","0.1185","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014945","17.6164","0.0002","10.3189","0.0001","9.2348","0.0003","90","","90","","90","","1678.72","0.06","273","1","","","","","","","","","","4","P n n m","-P 2 2n","58","","poly[octa-μ-aqua-ocataqua-μ-decavanadato-hexalithium]","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","TA1489","Ai-Li Xie; Chun-An Ma","Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>","Acta Crystallographica Section C","2005","61","6","i67","i68","10.1107/S0108270105013181","","","0.7107","MoKα","","","0.021","","","","0.072","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014946","15.8791","0.0019","15.8791","0.0019","9.905","0.002","90","","90","","120","","2162.9","0.6","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)zinc(II) molybdate(VI)","","- C6 H24 Mo N6 O4 Zn -","- C6 H24 Mo N6 O4 Zn -","- C36 H144 Mo6 N36 O24 Zn6 -","6","0.5","TA1492","Guo-Hua Han; Bi-Zhou Lin; Zhen Li","Tris(ethylenediamine)zinc(II) molybdate(VI), [Zn(en)~3~][MoO~4~]","Acta Crystallographica Section C","2005","61","6","m313","m314","10.1107/S010827010501317X","","","0.71069","MoKα","","0.0386","0.0323","","","0.0954","0.099","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014947","14.962","0.002","16.577","0.003","18.117","0.003","90","","112.881","0.003","90","","4139.9","1.2","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[N,N-bis(2-pyridylmethyl)amino]ethanol-κ^3^N,N',N''}tricarbonylrhenium(I) bromide methanol solvate","","- C18 H21 Br N3 O5 Re -","- C18 H21 Br N3 O5 Re -","- C144 H168 Br8 N24 O40 Re8 -","8","2","TR1108","Banerjee, Sangeeta Ray; Zubieta, Jon","A new tricarbonylrhenium(I) compound incorporating the tridentate ligand <i>N</i>,<i>N</i>-bispicolyl-2-ethanolamine","Acta Crystallographica Section C","2005","61","6","m275","m277","10.1107/S0108270105009820","","","0.71073","MoKα","","0.0754","0.0577","","","0.1258","0.1317","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014948","7.9135","0.0001","9.3622","0.0004","13.328","0.0005","75.724","0.002","84.369","0.001","84.415","0.002","949.59","0.06","293","2","293","","","","","","","","","4","P -1","-P 1","2","","14-Phenyl-7-thiapyrano[2,3-c;6,5-c']diquinoline-14-carbonitrile","","- C26 H15 N3 S -","- C26 H15 N3 S -","- C52 H30 N6 S2 -","2","1","TR1113","Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta","Azinyl sulfides. LXXXI. 14-Phenyl-7-thiapyrano[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline-14-carbonitrile","Acta Crystallographica Section C","2005","61","6","o377","o379","10.1107/S0108270105009832","","","0.996","synchrotron","","","0.0512","","","","0.1367","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014949","11.8543","0.0008","5.7221","0.0002","10.6312","0.0006","90","","90","","90","","721.13","0.07","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1,3-Dibenzoyl-4,5-dihydro-1H-imidazole-2(3H)-thione","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C34 H28 N4 O4 S2 -","2","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0266","0.0239","","","0.058","0.0591","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014950","8.6803","0.0006","21.946","0.001","8.1845","0.0009","90","","90","","90","","1559.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0504","0.0382","","","0.0896","0.0951","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014951","8.757","0.003","8.807","0.003","11.769","0.006","84.073","0.011","75.766","0.013","61.044","0.009","769.7","0.5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","7,7-Dicyclobutyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0687","0.0583","","","0.1604","0.1758","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014952","10.85","0.003","7.05","0.002","15.79","0.005","90","","94.207","0.01","90","","1204.6","0.6","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(hydroxymethyl)-7-oxaspiro[bicyclo[3.2.1]octane-6,1'-cyclopentane]-5- carboxylic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0545","0.049","","","0.143","0.1535","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014953","6.2916","0.0002","6.2916","0.0002","8.1964","0.0002","90","","90","","120","","280.98","0.014","683","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Tl2 Se O4","Thallium selenate","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O8 Se2 Tl4 -","2","0.0833333","TY1005","Matsuo, Yasumitsu; Tokoyoda, Yoshihide; Hatori, Junko; Komukae, Masaru; Ikehata, Seiichiro","Thallium selenate (Tl~2~SeO~4~) in a paraelastic phase by X-ray powder diffraction","Acta Crystallographica Section C","2005","61","4","i39","i40","10.1107/S0108270105003100","","","1.54184","CuKα","","","","","","","","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014954","8.596","0.001","9.803","0.001","12.353","0.001","84.35","0.01","89.18","0.01","73.61","0.01","993.69","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12-crown-4 bis(triphenylmethanethiol)","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","1","0.5","AV1238","Fonari, Marina S.; Ganin, Eduard V.; Wen-Jwu Wang","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","Acta Crystallographica Section C","2005","61","7","o431","o433","10.1107/S0108270105014289","","","0.71073","MoKα","","0.0756","0.0464","","","0.1111","0.1212","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014955","10.2078","0.0015","10.9122","0.0014","16.7214","0.001","96.55","0.016","98.113","0.008","115.592","0.012","1630.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","Bis{1-[N-(2-methoxyphenyl)iminomethyl]naphthalen-2(1H)-onato- κ^3^O,N,O'}zinc(II) ethanol solvate","","- C38 H34 N2 O5 Zn -","- C38 H34 N2 O5 Zn -","- C76 H68 N4 O10 Zn2 -","2","1","AV1245","Đilović, Ivica; Matković-Čalogović, Dubravka; Popović, Zora; Roje, Vibor","Bis{1-[<i>N</i>-(2-methoxyphenyl)iminomethyl]naphthalen-2(1<i>H</i>)-onato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc(II) ethanol solvate","Acta Crystallographica Section C","2005","61","7","m351","m352","10.1107/S0108270105018044","","","0.71073","MoKα","","0.1054","0.0563","","","0.1437","0.1651","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014956","6.87","0.006","7.283","0.007","7.929","0.007","73.693","0.014","87.795","0.014","67.342","0.014","350.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-μ-Oxamido-N,N'-diethanoato-bis[diaquacopper(II)] dihydrate","trans-{μ-2,2'-[(1,2-dioxoethane-1,2- diyl)diimino]diethanoato}bis[diaquacopper(II)] dihydrate","","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","1","0.5","AV1246","Jian-Fang Lou; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","<i>trans</i>-μ-Oxamido-<i>N</i>,<i>N</i>'-diethanoato-bis[diaquacopper(II)] dihydrate","Acta Crystallographica Section C","2005","61","8","m400","m402","10.1107/S0108270105019529","","","0.71073","MoKα","","0.0263","0.0256","","","0.0708","0.0714","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014957","10.381","0.002","10.381","0.002","32.513","0.001","90","","90","","90","","3503.8","1","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","bis{μ-6,6-dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}dicopper(II) 0.28-hydrate","","- C38 H40 Co2 N4 O4.28 -","- C38 H40 Co2 N4 O4.28 -","- C152 H160 Co8 N16 O17.12 -","4","0.5","AV1247","You, Zhong-Lu","Bis[μ-<i>N</i>,<i>N</i>'-bis(3-methylsalicylidene)propane-1,3-diaminato]dicobalt(II) 0.28-hydrate","Acta Crystallographica Section C","2005","61","7","m359","m360","10.1107/S0108270105019189","","","0.71073","MoKα","","0.0377","0.0334","","","0.0757","0.0778","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014958","7.172","0.002","8.742","0.003","11.36","0.003","70.35","0.02","86","0.02","67.06","0.02","616.2","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","Di-μ-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine- κ^2^N,N')(thiocyanato-κN)copper(II)]","","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.0423","","","","0.125","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014959","5.476","0.002","9.379","0.003","9.529","0.003","76.99","0.02","75.38","0.02","86.96","0.02","461.4","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-κ^2^N,N')bis(nitrato- κO)copper(II)","","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.03","","","","0.0833","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014960","8.824","0.002","23.183","0.004","11.305","0.003","90","","96.185","0.002","90","","2299.2","0.9","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-N-(5-methylisoxazol-3-yl)-N-[(4-oxo-2-phenyl-4H-1-benzopyran-6- yl)methyl]benzensulfonamide","","- C26 H21 N3 O5 S -","- C26 H21 N3 O5 S -","- C104 H84 N12 O20 S4 -","4","1","AV1251","Özbey, Süheyla; Akbaş, Arzu; Ayhan-Kilcigil, Gülgün; Ertan, Rahmiye","Antibacterial 4-amino-<i>N</i>-(5-methylisoxazol-3-yl)-<i>N</i>-[(4-oxo-2-phenyl-4<i>H</i>-1-benzopyran-6-yl)methyl]benzenesulfonamide","Acta Crystallographica Section C","2005","61","9","o559","o561","10.1107/S0108270105023759","","","0.71073","MoKα","","","0.055","","","","0.1464","","","","","","0.965","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014961","10.499","0.002","12.208","0.002","11.886","0.002","90","","90","","90","","1523.4","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","catena-Poly[[{2,4-dichloro-6-[(pyridin-2-ylmethylimino)methyl]phenolato}- copper(II)]-μ-thiocyanato]","","- C14 H9 Cl2 Cu N3 O S -","- C14 H9 Cl2 Cu N3 O S -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","4","1","AV1260","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[[2,4-dichloro-6-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m421","m423","10.1107/S0108270105023760","","","0.71073","MoKα","","0.047","0.0426","","","0.0931","0.0954","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014962","6.7703","0.001","16.0954","0.0011","10.3136","0.0005","90","","90","","90","","1123.88","0.19","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","sodium tetracalcium orthovanadate","sodium tetracalcium trivanadiun dodecaoxide","","- Ca4 Na O12 V3 -","- Ca4 Na O12 V3 -","- Ca16 Na4 O48 V12 -","4","0.5","BC1070","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet","Sodium calcium orthovanadate, NaCa~4~(VO~4~)~3~","Acta Crystallographica Section C","2005","61","7","i79","i80","10.1107/S0108270105018214","","","0.71069","MoKα","","0.0543","0.0349","","","0.0752","0.083","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014963","5.564","0.002","5.51","0.002","7.802","0.003","90","","90.18","0.03","90","","239.19","0.15","160","","160","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","lanthanum barium manganite perovskite","lanthanum barium manganese trioxide","","- Ba0.185 La0.815 Mn O3 -","- Ba0.185 La0.815 Mn O3 -","- Ba0.74 La3.26 Mn4 O12 -","4","0.5","BC1071","Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii","Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K","Acta Crystallographica Section C","2005","61","9","i83","i85","10.1107/S0108270105017518","","","0.71069","MoKα","","0.0356","0.027","","","0.0319","0.0327","","","","","","1.68","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014964","4.5666","0.0003","11.2194","0.001","16.7595","0.0013","90","","96.549","0.006","90","","853.06","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thallium(III) selenite","dithallium(III) triselenium(IV) oxide","","- O9 Se3 Tl2 -","- O9 Se3 Tl2 -","- O36 Se12 Tl8 -","4","1","BC1073","Harrison, William T. A.","Thallium(III) selenite, Tl~2~(SeO~3~)~3~","Acta Crystallographica Section C","2005","61","7","i76","i78","10.1107/S0108270105018111","","","0.71073","MoKα","","0.0531","0.0442","","","0.1152","0.1212","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014965","16.193","0.0004","33.45","0.0009","6.5169","0.0002","90","","112.349","0.001","90","","3264.77","0.16","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","","- C28 H36 Co F4 N6 Na O9 -","- C28 H36 Co F4 N6 Na O9 -","- C112 H144 Co4 F16 N24 Na4 O36 -","4","0.5","BG1006","Sharma, Raj Pal; Bala, Ritu; Sharma, Rajni; Bond, Andrew D.","Second-sphere coordination in anion binding: sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","Acta Crystallographica Section C","2005","61","7","m356","m358","10.1107/S0108270105018500","","","0.71073","MoKα","","0.0378","0.0293","","","0.0791","0.0853","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014966","9.759","0.001","12.861","0.001","14.06","0.001","90","","99.2","0.03","90","","1742","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Octachloro-1κ^4^Cl,4κ^4^Cl-tetra-μ-dimethylglycine-2:3κ^8^O:O'- tetracopper(II)]","","- C16 H36 Cl8 Cu4 N4 O8 -","- C16 H36 Cl8 Cu4 N4 O8 -","- C32 H72 Cl16 Cu8 N8 O16 -","2","0.5","BG1009","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Di-μ-chloro-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-hexachloro-1κ^3^<i>Cl</i>,4κ^3^<i>Cl</i>-tetra-μ-dimethylglycine-2:3κ^8^<i>O</i>:<i>O</i>'-tetracopper(II)","Acta Crystallographica Section C","2005","61","8","m380","m382","10.1107/S0108270105021591","","","0.71073","MoKα","","0.0351","0.0235","","","0.0581","0.0635","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014967","12.1176","0.0003","11.3888","0.0003","15.2667","0.0004","90","","98.8372","0.001","90","","2081.87","0.09","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1H-indole","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.0528","0.0404","","","0.1067","0.1138","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014968","7.7856","0.0002","10.4801","0.0003","16.7489","0.0005","90","","90","","90","","1366.61","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-Methyl-2-nitrovinyl)-2-phenyl-1H-indole","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1063","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014969","13.08","0.004","8.998","0.003","18.406","0.005","90","","99.37","0.03","90","","2137.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(E)- α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","","- C44 H49 N7 O10 -","- C44 H49 N7 O10 -","- C88 H98 N14 O20 -","2","1","DN1081","Makowski, Maciej; Brzuszkiewicz, Anna; Lisowski, Marek; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","Acta Crystallographica Section C","2005","61","7","o424","o426","10.1107/S0108270105015258","","","1.5418","CuKα","","0.1002","0.0717","","","0.1681","0.1918","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014970","9.752","0.005","9.894","0.006","11.685","0.006","105.963","0.005","99.76","0.007","98.062","0.003","1047.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^N^3^:N^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1- ylmethyl)benzene]-1:1'κ^2^N^3^:N^3'^;2:2'κ^2^N^3^:N^3'^]","","- C21 H21 Cl2 Cu N6 -","- C21 H22 Cl2 Cu N6 -","- C42 H44 Cl4 Cu2 N12 -","2","1","DN1091","Tao Li; Sheng-Min Hu; Shao-Wu Du","<i>catena</i>-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]-1:1'κ^2^<i>N</i>^3^:<i>N</i>^3'^;2:2'κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2005","61","9","m409","m411","10.1107/S0108270105019682","","","0.71073","MoKα","","0.0685","0.0447","","","0.0828","0.0931","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014971","11.398","0.0002","22.6068","0.0004","13.1547","0.0002","90","","115.429","0.001","90","","3061.21","0.09","120","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","","- C36 H30 B2 N8 -","- C36 H30 B2 N8 -","- C144 H120 B8 N32 -","4","1","DN1094","Kunrath, Fábio A.; Casagrande, Osvaldo L.; Toupet, Loïc; Carpentier, Jean-François","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","Acta Crystallographica Section C","2005","61","8","o521","o523","10.1107/S0108270105021967","","","0.71069","MoKα","","0.0763","0.0483","","","0.116","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014972","11.767","0.002","7.418","0.0015","33.87","0.007","90","","90","","90","","2956.4","1","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","","- C12 H14 Br Cu N3 O S -","- C12 H14 Br Cu N3 O S -","- C96 H112 Br8 Cu8 N24 O8 S8 -","8","2","DN1095","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m406","m408","10.1107/S0108270105023139","","","0.71073","MoKα","","0.0415","0.0358","","","0.0891","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014973","23.066","0.002","5.0026","0.0004","8.022","0.0007","90","","108.871","0.009","90","","875.9","0.14","105","","105","","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","","- C16 H10 Hg N4 S4 -","- C16 H10 Hg N4 S4 -","- C32 H20 Hg2 N8 S8 -","2","0.5","EM1000","Dürüst, Yaşar; Altuğ, Cevher; Bozkurt, Çetin; Fronczek, Frank R.","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","Acta Crystallographica Section C","2005","61","9","m442","m444","10.1107/S0108270105025734","","","0.71073","MoKα","","0.023","0.023","","","0.05","0.05","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014974","14.0813","0.0013","10.2094","0.0019","12.372","0.003","90","","91.621","0.014","90","","1777.9","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C64 H104 N24 O16 -","8","2","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1193","0.0498","","","0.0975","0.1184","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014975","6.1743","0.0012","26.765","0.003","6.0257","0.0012","90","","111.425","0.011","90","","927","0.3","290","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1249","0.0551","","","0.114","0.138","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014976","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","Ala-Gly-Ala","L-Alanylglycyl-L-alanine monohydrate","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","FA1135","Förster, Diana; Messerschmidt, Marc; Luger, Peter","<small>L</small>-Alanylglycyl-<small>L</small>-alanine monohydrate at 20K","Acta Crystallographica Section C","2005","61","7","o420","o421","10.1107/S0108270105015015","","","0.71073","MoKα","","0.0276","0.0269","","","0.0706","0.0711","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014977","8.6928","0.0017","8.8579","0.0018","9.6059","0.0019","85.17","0.03","65.14","0.03","74.03","0.03","644.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaquabis(5-carboxypentanoato-κO)cobalt(II)]-μ- 1,2-di-4-pyridylethane-κ^2^N:N']","","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","1","0.5","FA1144","Hong-Zhen Xie; Dan-Yi Wei; Yue-Qing Zheng","<i>catena</i>-Poly[[diaquabis(5-carboxypentanoato-κ<i>O</i>)cobalt(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2005","61","9","m419","m420","10.1107/S0108270105022882","","","0.71073","MoKα","","0.0344","0.0299","","","0.0756","0.0781","","","","","","1.046","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2014978","17.805","0.006","7.002","0.002","12.071","0.006","90","","90","","90","","1504.9","1","291","2","291","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","Tetragermanium nonaselenide","","- Ge4 Se9 -","- Ge4 Se9 -","- Ge16 Se36 -","4","1","FA1148","Jung-Eun Kwak; Hoseop Yun","Reinvestigation of Ge~4~Se~9~ based on single-crystal data","Acta Crystallographica Section C","2005","61","8","i81","i82","10.1107/S0108270105021979","","","0.71073","MoKα","","","0.0371","","","","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014979","5.2213","0.0001","6.7525","0.0001","11.2121","0.0001","90","","94.846","0.0003","90","","393.89","0.01","2","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014980","5.239","0.0001","6.7581","0.0001","11.2696","0.0001","90","","94.8053","0.0003","90","","397.605","0.01","100","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.17","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014981","17.998","0.005","7.112","0.003","20.39","0.006","90","","90","","90","","2610","1.5","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-acetamido-N-benzyl-2-(methoxyamino)acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C96 H136 N24 O24 -","8","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.0886","0.0624","","","0.1378","0.1464","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014982","4.859","0.002","10.587","0.003","14.168","0.004","86.84","0.02","80.66","0.03","80.28","0.03","708.6","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-acetamido-N-benzyl-2-[methoxy(methyl)amino]acetamide","","- C13 H19 N3 O3 -","- C13 H19 N3 O3 -","- C26 H38 N6 O6 -","2","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.1628","0.1018","","","0.2291","0.2499","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014983","10.1428","0.0003","8.0965","0.0002","23.0557","0.0007","90","","95.4912","0.0014","90","","1884.67","0.09","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(4-ferrocenylbenzoyl)amino]-3-thiophenecarboxylate","","- C23 H19 Fe N O3 S -","- C23 H19 Fe N O3 S -","- C92 H76 Fe4 N4 O12 S4 -","4","1","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.0535","0.0357","","","0.0802","0.088","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014984","12.7466","0.0004","12.8752","0.0008","13.5661","0.0007","91.811","0.003","106.096","0.003","92.735","0.003","2134.35","0.19","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-[(4-ferrocenylbenzoyl)amino]-4-(1,3-thiazole)acetate","","- C24 H22 Fe N2 O3 S -","- C24 H22 Fe N2 O3 S -","- C96 H88 Fe4 N8 O12 S4 -","4","2","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.1161","0.05","","","0.1032","0.1268","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014985","13.476","0.003","7.3396","0.0015","13.166","0.003","90","","110","0.03","90","","1223.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bisaquabarium(II)-μ-benzene-1,3-dioxyacetato-κ^3^O,O':O'']","","- C10 H12 Ba O8 -","- C10 H12 Ba O8 -","- C40 H48 Ba4 O32 -","4","1","FG1847","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[[diaquabarium(II)]-μ~5~-<i>m</i>-phenylenedioxydiacetato]: a three-dimensional barium(II) coordination polymer","Acta Crystallographica Section C","2005","61","7","m348","m350","10.1107/S0108270105017828","","","0.71073","MoKα","","0.0319","0.0275","","","0.0706","0.0726","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014986","9.9731","0.0006","12.3273","0.0007","18.2323","0.0011","90","","91.508","0.001","90","","2240.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(1H-benzimidazol-2-ylmethyl)amine monohydrate","","- C24 H23 N7 O -","- C24 H23 N7 O -","- C96 H92 N28 O4 -","4","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.0591","0.0395","","","0.1066","0.1151","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014987","9.778","0.004","9.995","0.002","14.397","0.006","103.34","0.01","98.16","0.01","102.34","0.01","1310.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(1H-benzimidazol-2-ylmethyl)amine‒water‒methanol‒acetonitrile (1/1.5/0.5/1)","","- C26.5 H29 N8 O2 -","- C26.5 H28.5 N8 O2 -","- C53 H57 N16 O4 -","2","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.067","0.0448","","","0.1017","0.1133","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2014988","28.513","0.012","9.007","0.005","7.471","0.003","90","","99.83","0.03","90","","1890.5","1.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.1073","0.0639","","","0.1483","0.1742","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014989","31.793","0.018","7.308","0.002","10.553","0.003","90","","97.02","0.03","90","","2433.5","1.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzyl 3,5-dimethylpyrrole-2-carboxylate","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0679","0.0495","","","0.1296","0.1441","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014990","13.473","0.003","14.359","0.003","7.489","0.002","90","","100.47","0.02","90","","1424.7","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","benzyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0486","0.0427","","","0.1146","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014991","8.15","0.004","16.04","0.006","7.908","0.004","90","","95.31","0.03","90","","1029.3","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 3,5-dimethylpyrrole-2,4-dicarboxylate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0485","0.0466","","","0.1324","0.1341","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014992","5.179","0.002","13.986","0.004","22.315","0.013","90","","90.09","0.04","90","","1616.4","1.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-ethyl-3,5-dimethyl-2-[(2-p-tosyl)acetyl]pyrrole","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0664","0.0479","","","0.1114","0.1226","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014993","7.281","0.003","10.363","0.006","11.003","0.007","65.11","0.05","84.61","0.05","86.65","0.04","749.6","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","ethyl 4-(2-ethoxycarbonyl-2-hydroxyacryloyl)-3,5-dimethylpyrrole-2-carboxylate","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C30 H38 N2 O12 -","2","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0998","0.0662","","","0.1662","0.1916","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014994","13.353","0.002","13.37","0.002","13.6","0.003","90","","96.796","0.011","90","","2410.9","0.7","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C23 H22 F6 O4 S2 -","- C23 H22 F6 O4 S2 -","- C92 H88 F24 O16 S8 -","4","1","FG1872","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a photochromic dithienylethene","Acta Crystallographica Section C","2005","61","9","o568","o570","10.1107/S0108270105025758","","","0.71073","MoKα","","0.0606","0.0494","","","0.1341","0.1443","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014995","8.3049","0.0004","27.1833","0.0016","8.9868","0.0005","90","","90","","90","","2028.81","0.19","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","Diacetatobis(2-aminobenzothiazole-κN)cobalt(II)","","- C18 H18 Co N4 O4 S2 -","- C18 H18 Co N4 O4 S2 -","- C72 H72 Co4 N16 O16 S8 -","4","1","FR1521","Hümeyra Batı; Hanife Saraçoĝlu; Nezihe Çalıs̨kan; Serkan Soylu","Diacetatobis(2-aminobenzothiazole-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2005","61","7","m342","m343","10.1107/S0108270105016811","","","0.71073","MoKα","","0.0261","0.0247","","","0.0623","0.0629","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014996","7.7406","0.0007","14.9682","0.0014","5.4928","0.0007","90","","90","","90","","636.41","0.12","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","FR1522","Geith, Janna; Klapötke, Thomas M.; Mayer, Peter; Schulz, Axel; Weigand, Jan J.","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione: short intermolecular contacts determining the crystal packing","Acta Crystallographica Section C","2005","61","9","o545","o547","10.1107/S0108270105023231","","","0.71073","MoKα","","0.0464","0.0326","","","0.0858","0.0918","","","","","","0.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014997","7.047","0.0008","14.4473","0.0012","8.1165","0.0008","90","","90.814","0.008","90","","826.26","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-N-(2-nitrophenyl)nitramine","N-methyl-N,2-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0404","0.0315","","","0.0856","0.0894","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014998","8.7322","0.0011","13.651","0.0016","7.5547","0.0012","90","","111.195","0.013","90","","839.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(3-nitrophenyl)nitramine","N-methyl-N,3-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0341","0.0291","","","0.0757","0.0782","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014999","23.005","0.003","9.2208","0.0012","7.9222","0.0011","90","","103.2","0.003","90","","1636.1","0.4","193.15","","193.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ~2~-thiocyanato-μ~2~-1,4-bis(1,2,4-triazol-1- ylmethyl)benzene]","","- C14 H12 Cu N8 S2 -","- C14 H12 Cu N8 S2 -","- C56 H48 Cu4 N32 S8 -","4","0.5","GA1092","Yan-Fen Peng; Xun-Gao Liu; Bao-Zong Li; Bao-Long Li; Yong Zhang","A novel three-dimensional copper(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2005","61","7","m333","m336","10.1107/S0108270105016057","","","0.71073","MoKα","","0.0314","0.0295","","","0.0773","0.0785","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015000","14.6464","0.0006","10.6667","0.0004","20.4459","0.0008","90","","95.523","0.001","90","","3179.4","0.2","187","1","187","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","thiamine tetraphenylborate monohydrate","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium tetraphenylborate monohydrate","","- C36 H39 B N4 O2 S -","- C36 H39 B N4 O2 S -","- C144 H156 B4 N16 O8 S4 -","4","1","GD1390","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Thiamine tetraphenylborate monohydrate: a two-dimensional hydrogen-bonded network with (4,4)-topology","Acta Crystallographica Section C","2005","61","7","o457","o459","10.1107/S0108270105015714","","","0.71073","MoKα","","0.0615","0.0476","","","0.1142","0.123","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015001","28.882","0.006","9.198","0.002","5.605","0.001","90","","90","","90","","1489","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride","","- C15 H14 Cl N3 S -","- C15 H14 Cl N3 S -","- C60 H56 Cl4 N12 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.0923","0.0565","","","0.1158","0.1235","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015002","7.988","0.002","14.15","0.003","14.545","0.003","74.77","0.03","89.6","0.02","80.79","0.02","1564.8","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C68 H64 N16 S4 -","4","2","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1177","0.0729","","","0.1634","0.1766","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015003","7.472","0.003","16.437","0.004","15.532","0.002","90","","101.41","0.02","90","","1869.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(biphenyl-4-yl)-2-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazol-3-ium chloride methanol solvate","","- C18 H21 Cl N4 O S -","- C18 H21 Cl N4 O S -","- C72 H84 Cl4 N16 O4 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1815","0.092","","","0.2327","0.2642","","","","","","0.889","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015004","8.244","0.001","8.319","0.001","12.722","0.001","77.864","0.007","77.502","0.006","66.214","0.005","772.05","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","(E)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine","(E)-8-(3-chlorostyryl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione","","- C16 H15 Cl N4 O2 -","- C16 H15 Cl N4 O2 -","- C32 H30 Cl2 N8 O4 -","2","1","GD1409","Frédérick, Raphaël; Ooms, Frederic; Castagnoli Jr, Neal; Petzer, Jacques P.; Feng, Jiang-Fan; Schwarzschild, Michael A.; Van der Schyf, Cornelis J.; Wouters, Johan","(<i>E</i>)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine, a caffeine derivative acting both as antagonist of adenosine A2A receptors and as inhibitor of MAO-B","Acta Crystallographica Section C","2005","61","9","o531","o532","10.1107/S0108270105023140","","","1.54175","CuKα","","0.0493","0.046","","","0.1282","0.1321","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015005","13.6775","0.0005","14.0221","0.0005","17.2879","0.0006","111.776","0.001","91.679","0.001","104.212","0.001","2957.96","0.18","90","1","90","1","","","","","","","","6","P -1","-P 1","2","[Cu(dmp)2]2[PF6]2ACN0.5bpmh","Bis[bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I)] bis(hexafluorophosphate) hemi[bis(4-pyridylmethylidyne)hydrazine] acetonitrile solvate","","- C64 H56 Cu2 F12 N11 P2 -","- C64 H56 Cu2 F12 N11 P2 -","- C128 H112 Cu4 F24 N22 P4 -","2","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0357","0.0301","","","0.0779","0.0821","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015006","15.0055","0.0005","10.3286","0.0003","16.8878","0.0005","90","","101.138","0.001","90","","2568.07","0.14","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu(dmp)2]dca","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) dicyanamide","","- C30 H24 Cu N7 -","- C30 H24 Cu N7 -","- C120 H96 Cu4 N28 -","4","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0371","0.0291","","","0.0783","0.0847","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015007","14.9365","0.0018","9.6588","0.0013","13.7975","0.0016","90","","107.907","0.009","90","","1894.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Triphenylphosphoranylidene)pentane-2,4-dione","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C92 H84 O8 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.0501","0.0395","","","0.0999","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015008","12.572","0.014","9.022","0.012","19.52","0.02","90","","90.12","0.02","90","","2214","4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(triphenylphosphoranylidene)malonate","","- C25 H25 O4 P -","- C25 H25 O4 P -","- C100 H100 O16 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.061","0.0467","","","0.1194","0.1287","","","","","","1.098","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015009","9.789","0.002","20.083","0.004","11.746","0.002","90","","111.52","0.03","90","","2148.2","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Tri-tert-butylsilanethiolato-κ^2^S:S-bis[(tetrahydrofuran-κO)lithium(I)]","","- C32 H70 Li2 O8 S2 Si2 -","- C32 H70 Li2 O8 S2 Si2 -","- C64 H140 Li4 O16 S4 Si4 -","2","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.1079","0.0612","","","0.1952","0.2203","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015010","8.721","0.002","9.305","0.002","14.048","0.003","82.24","0.03","72.91","0.03","64.01","0.03","979.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis(μ-tri-tert-butylsilanethiolato)-1:2κ^2^S;1κS:2κS,O- dilithium(I)]-μ-dimethoxyethane-κ^2^O:O']","","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","1","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.0523","0.0486","","","0.1252","0.1273","","","","","","1.054","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015011","8.9906","0.0006","5.2987","0.0004","11.4786","0.0008","90","","97.041","0.002","90","","542.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-proline","DL-proline","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","GG1265","Myung, Sunnie; Pink, Maren; Baik, Mu-Hyun; Clemmer, David E.","<small>DL</small>-Proline","Acta Crystallographica Section C","2005","61","8","o506","o508","10.1107/S0108270105021001","","","0.71073","MoKα","","0.043","0.0395","","","0.1103","0.1137","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015012","19.2181","0.0006","19.2181","0.0006","10.8347","0.0002","90","","90","","90","","4001.64","0.19","120","2","120","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","10-methyl-8-phenyl-11-(3-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","1","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.0634","0.041","","","0.0812","0.0892","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015013","18.6288","0.0008","19.1956","0.0008","10.8885","0.0003","90","","90","","90","","3893.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","10-methyl-8-phenyl-11-(4-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.1002","0.0647","","","0.1372","0.1519","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015014","9.706","0.005","12.141","0.005","17.753","0.005","90","","120.372","0.017","90","","1804.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-ethyl-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-thiocarboxamide","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C76 H80 F4 N12 O4 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0474","0.0337","","","0.0867","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015015","9.4191","0.0017","12.2032","0.0011","14.673","0.002","90","","103.063","0.014","90","","1642.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-fluorophenyl)-N-methyl-5-(4-methylphenyl)-2-pyrazoline-1-thiocarboxamide","","- C18 H18 F N3 S -","- C18 H18 F N3 S -","- C72 H72 F4 N12 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0562","0.0432","","","0.1222","0.1397","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015016","6.6037","0.0005","11.3935","0.001","30.143","0.002","90","","90","","90","","2267.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-dichlorobis[(1R,2R,3R,5S)-(-)-isopinocampheylamine]palladium(II)","trans-dichlorobis[(1R,2R,3R,5S)-(-)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amine]palladium(II)","","- C20 H38 Cl2 N2 Pd -","- C20 H38 Cl2 N2 Pd -","- C80 H152 Cl8 N8 Pd4 -","4","1","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0436","0.0357","","","0.0829","0.0866","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015017","6.6873","0.0008","13.427","0.002","28.159","0.004","90","","90","","90","","2528.4","0.6","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","trans-dichlorobis[(1S,2S,3S,5R)-(+)-isopinocampheylamine]palladium(II) hemihydrate","trans-dichlorobis[(1S,2S,3S,5R)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amino]palladium(II) hemihydrate","","- C20 H39 Cl2 N2 O0.5 Pd -","- C20 H39 Cl2 N2 O0.5 Pd -","- C80 H156 Cl8 N8 O2 Pd4 -","4","0.5","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0492","0.0404","","","0.1055","0.1142","","","","","","1.105","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015018","12.566","0.005","12.566","0.005","38.708","0.005","90","0.005","90","0.005","90","0.005","6112","4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","pIsodApC","4-amino-1-(6-O-{[2-(6-aminopurin-9-yl)-6-O-hydroxy(oxido)phosphoryl-1,2,5- trideoxy-3-furanosyl]oxidophosphoryl}-1,5-dideoxy-1-furanosyl)pyrimidin- 2(1H)-one 6.5 hydrate","","- C19 H39 N8 O19.5 P2 -","- C19 H39 N8 O19.5 P2 -","- C152 H312 N64 O156 P16 -","8","1","HJ1051","M. Gary Newton; Charles F. Campana; Guo-Chen Chi; Doowon Lee; Zhi-Jie Liu; Vasu Nair; James Phillips; John P. Rose; B.-C. Wang","A non-natural dinucleotide containing an isomeric <small>L</small>-related deoxynucleoside: dinucleotide inhibitors of anti-HIV integrase activity","Acta Crystallographica Section C","2005","61","8","o518","o520","10.1107/S0108270105019037","","","1.54178","CuKα","","0.047","0.0469","","","0.1241","0.1243","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015019","25.486","0.003","4.8964","0.0013","12.605","0.003","90","","99.44","0.03","90","","1551.7","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(2-hydroxybenzylidene)amino]benzensulfonamide monohydrate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0954","0.0544","","","0.1008","0.1133","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015020","26.858","0.003","4.855","0.002","12.708","0.003","90","","91.428","0.012","90","","1656.6","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","","- C15 H15 Br N2 O5 S -","- C15 H15 Br N2 O5 S -","- C60 H60 Br4 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0438","0.0334","","","0.0815","0.0847","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015021","22.751","0.009","14.016","0.006","13.36","0.01","90","","90","","90","","4260","4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[N,N'-bis(5-methoxysalicylidene)ethylenediaminato- κ^4^O,N,N',O']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0889","0.0559","","","0.1518","0.1738","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015022","8.072","0.005","21.27","0.01","13.712","0.007","90","","106.01","0.06","90","","2263","2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua[N,N'-bis(3,5-dichlorosalicylidene)ethylendiaminato- κ^4^O,N,N',O'](methanol-κO)manganese(III) perchlorate","","- C17 H16 Cl5 Mn N2 O8 -","- C17 H16 Cl5 Mn N2 O8 -","- C68 H64 Cl20 Mn4 N8 O32 -","4","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0562","0.0459","","","0.1293","0.1372","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015023","15.226","0.006","13.026","0.004","10.865","0.004","90","","99.58","0.03","90","","2124.8","1.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-N,N'-bis(3-methoxysalicylidene)ethylenediaminato- κ^5^O,N,N',O':O]bis[(methanol-κO)manganese(III)] diperchlorate","","- C38 H44 Cl2 Mn2 N4 O18 -","- C38 H44 Cl2 Mn2 N4 O18 -","- C76 H88 Cl4 Mn4 N8 O36 -","2","0.5","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0413","0.0345","","","0.0962","0.1011","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015024","8.4695","0.0018","20.686","0.004","10.269","0.002","90","","93.655","0.003","90","","1795.5","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a,6a-Diphenylglycoluril hydrogen sulfate","cis-1,5-Diphenyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione hydrogen sulfate 5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-yloxonium hydrogen sulfate","","- C16 H16 N4 O6 S -","- C16 H16 N4 O6 S -","- C64 H64 N16 O24 S4 -","4","1","HJ1059","Huo, Fang-Jun; Yin, Cai-Xia; Yang, Pin","An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril","Acta Crystallographica Section C","2005","61","8","o500","o502","10.1107/S0108270105019530","","","0.71073","MoKα","","0.0859","0.0773","","","0.1453","0.149","","","","","","1.281","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015025","6.5951","0.0008","13.492","0.0013","7.2032","0.0009","90","","113.084","0.012","90","","589.63","0.13","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-Dimethyl-4,5'-dinitro-1H,3'H-1,4'-biimidazole monohydrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C16 H20 N12 O10 -","2","1","HJ1060","Kubicki, Maciej","2,2'-Dimethyl-4,5'-dinitro-1<i>H</i>,3'<i>H</i>-1,4'-biimidazole monohydrate","Acta Crystallographica Section C","2005","61","8","o512","o514","10.1107/S0108270105020913","","","0.71073","MoKα","","0.0617","0.0345","","","0.045","0.0492","","","","","","0.835","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015026","10.1163","0.0002","8.588","0.004","10.3823","0.0006","90","","118.39","0.03","90","","793.5","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","potassium cerium bis(sulfate) monohydrate","","- Ce H2 K O9 S2 -","- Ce H2 K O9 S2 -","- Ce4 H8 K4 O36 S8 -","4","1","IZ1048","Jemmali, Mosbah; Walha, Siwar; Ben Hassen, Rached; Petricek Vaclac","Potassium cerium(III) bis(sulfate) monohydrate, KCe(SO~4~)~2~·H~2~O","Acta Crystallographica Section C","2005","61","7","i73","i75","10.1107/S0108270105006219","","","0.71069","MoKα","","0.0501","0.0202","","","0.0486","0.0548","","","","","","1.18","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015027","5.7155","0.00005","11.2429","0.0001","25.2146","0.0002","90","","90","","90","","1620.26","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","pentalanthanum hexamolybdenum henicosaoxide","","- La5 Mo6 O21 -","- La5 Mo6 O21 -","- La20 Mo24 O84 -","4","1","IZ1055","Gall, P.; Gougeon, P.","La~5~Mo~6~O~21~: a novel ternary reduced molybdenum oxide containing {Mo^IV^}~3~ clusters and isolated Mo^V^ centres","Acta Crystallographica Section C","2005","61","7","i69","i70","10.1107/S0108270105015386","","","0.71069","MoKα","","0.0418","0.036","","","0.0841","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015028","7.8026","0.0005","7.8026","0.0005","14.188","0.0009","90","","90","","90","","863.77","0.1","293","2","293","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","pentasamarium trigallium","","- Ga3 Sm5 -","- Ga3 Sm5 -","- Ga12 Sm20 -","4","0.25","IZ1058","Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude","Sm~5~Ga~3~","Acta Crystallographica Section C","2005","61","7","i71","i72","10.1107/S0108270105017324","","","0.71073","MoKα","","0.026","0.026","","","0.0554","0.0554","","","","","","1.519","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015029","5.5","0.001","5.72","0.001","6.685","0.001","98.9","0.03","94.6","0.03","107.55","0.03","196.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","indium arsenate hydrate","indium arsenate(V) monohydrate","","- As H2 In O5 -","- As H2 In O5 -","- As2 H4 In2 O10 -","2","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0128","0.0125","","","0.0329","0.0331","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015030","4.955","0.001","8.591","0.002","15.874","0.003","90","","92.38","0.03","90","","675.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lead indium arsenate","lead(II) indium arsenate(V) hydrogen arsenate(V)","","- As2 H In O8 Pb -","- As2 In O8 Pb -","- As8 In4 O32 Pb4 -","4","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0696","0.0469","","","0.11","0.1209","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015031","9.627","0.003","9.627","0.003","12.601","0.004","90","","90","","120","","1011.4","0.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Silver(I) trimercury(II) antimonate(V)","","- Ag Hg3 O6 Sb -","- Ag Hg3 O6 Sb -","- Ag6 Hg18 O36 Sb6 -","6","0.166667","IZ1063","Klein, Wilhelm; Jansen, Martin","Silver(I) trimercury(II) antimonate(V), AgHg~3~SbO~6~","Acta Crystallographica Section C","2005","61","9","i94","i95","10.1107/S0108270105024625","","","0.71073","MoKα","","0.049","0.0358","","","0.0578","0.0604","","","","","","0.848","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015032","11.805","0.002","6.021","0.001","8.749","0.002","90","","111.63","0.03","90","","578.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(glycine) nickel(II) dibromide dihydrate","catena-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide]","","- C4 H14 Br2 N2 Ni O6 -","- C4 H14 Br2 N2 Ni O6 -","- C8 H28 Br4 N4 Ni2 O12 -","2","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0347","0.0258","","","0.0516","0.0551","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015033","10.587","0.002","12.899","0.003","7.714","0.002","90","","90","","90","","1053.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Glycine magnesium(II) dichloride tetrahydrate","catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","","- C2 H13 Cl2 Mg N O6 -","- C2 H13 Cl2 Mg N O6 -","- C8 H52 Cl8 Mg4 N4 O24 -","4","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0315","0.0278","","","0.0736","0.0766","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015034","14.0875","0.0006","9.7613","0.0004","17.5858","0.0008","90","","100.106","0.003","90","","2380.74","0.18","291","0.3","291","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(2,3-Dichlorophenyl)amino]benzoato-κO}di-μ~2~-ethoxo-octamethyldi- μ~3~-oxo-tetratin(IV)","","- C38 H50 Cl4 N2 O8 Sn4 -","- C38 H50 Cl4 N2 O8 Sn4 -","- C76 H100 Cl8 N4 O16 Sn8 -","2","0.5","JZ1743","Kruszynski, Rafal; Bartczak, Tadeusz J.","Bis{μ-2-[(2,3-dichlorophenyl)amino]benzoato-κ<i>O</i>}di-μ~2~-ethoxo-octamethyldi-μ~3~-oxo-tetratin(IV)","Acta Crystallographica Section C","2005","61","9","m439","m441","10.1107/S0108270105025989","","","0.71073","MoKα","","0.0343","0.0273","","","0.0594","0.063","","","","","","1.149","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015035","9.447","0.0016","6.6805","0.0009","10.6102","0.0017","90","","98.563","0.009","90","","662.15","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methylsulfanyl-1H- pyrazolo[3,4-d]pyrimidine","","- C11 H15 N5 O3 S -","- C11 H15 N5 O3 S -","- C22 H30 N10 O6 S2 -","2","1","JZ1745","Seela, Frank; Jawalekar, Anup M.; Budow, Simone; Eickmeier, Henning","8-Aza-7-deaza-2'-deoxy-2-(methylsulfanyl)adenosine","Acta Crystallographica Section C","2005","61","9","o562","o564","10.1107/S0108270105024327","","","0.71073","MoKα","","0.0535","0.0507","","","0.1541","0.1625","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015036","26.118","0.003","7.8131","0.0009","19.881","0.002","90","","127.005","0.001","90","","3239.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,2,3-tricarboxylic acid‒4,4'-bipyridine (1/1)","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C152 H112 N16 O48 -","8","1","JZ1752","Miao Du; Zhi-Hui Zhang; Yan-Ping You","Co-crystallization of hemimellitic acid with 4,4'-bipyridine forming a pillar-layered hydrogen-bonded network","Acta Crystallographica Section C","2005","61","9","o574","o576","10.1107/S0108270105026442","","","0.71073","MoKα","","0.0549","0.0409","","","0.1232","0.1329","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015037","10.4938","0.0006","18.9715","0.0007","17.8707","0.0011","90","","98.221","0.005","90","","3521.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^5^-cyclopentadienyl)(4-nitrobenzonitrile-κN)(trimethylphosphine- κP)(triphenylphosphite-κP)iron(II) hexafluorophosphate","","- C33 H33 F6 Fe N2 O5 P3 -","- C33 H33 F6 Fe N2 O5 P3 -","- C132 H132 F24 Fe4 N8 O20 P12 -","4","1","OB1231","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Teixeira, António P. S.; Garcia, M. Helena","A supramolecular zigzag chain of organometallic dipoles mediated by PF~6~^{-^} anions","Acta Crystallographica Section C","2005","61","8","m386","m389","10.1107/S0108270105021281","","","1.5418","CuKα","","0.1227","0.0644","","","0.1222","0.1497","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015038","7.587","0.001","14.746","0.002","13.692","0.002","90","","92.53","0.02","90","","1530.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis{[1-(pyridin-2-ylmethyliminomethyl)-2-naphtholato]zinc(II)}","","- C34 H26 N10 O2 Zn2 -","- C34 H26 N10 O2 Zn2 -","- C68 H52 N20 O4 Zn4 -","2","0.5","OB1242","You, Zhong-Lu","Di-μ-azido-bis{[1-(2-pyridylmethyliminomethyl)-2-naphtholato]zinc(II)}","Acta Crystallographica Section C","2005","61","9","m432","m434","10.1107/S0108270105026260","","","0.71073","MoKα","","0.0662","0.0457","","","0.1095","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015039","19.336","0.003","8.2864","0.0013","8.659","0.0014","90","","98.435","0.003","90","","1372.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","O,O'-dimethyl N,N'-(m-phenylenedicarbonyl)dithiocarbamate","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C48 H48 N8 O16 S8 -","4","0.5","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0522","0.0454","","","0.1145","0.119","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015040","6.3603","0.0013","7.7016","0.0015","14.255","0.003","92.496","0.003","97.952","0.003","103.496","0.003","670.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(methoxythiocarbonyl)isophthalamide","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C24 H24 N4 O8 S4 -","2","1","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0798","0.0687","","","0.1447","0.1495","","","","","","1.258","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015041","3.8671","0.0004","14.8937","0.0017","7.6363","0.0009","90","","93.742","0.002","90","","438.88","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2,2'-biimidazole-κ^2^N,N')chlorocopper(II)]-μ-chloro]","","- C6 H6 Cl2 Cu N4 -","- C6 H6 Cl2 Cu N4 -","- C12 H12 Cl4 Cu2 N8 -","2","1","RB1010","Mao-Lin Hu; Xiao-Qing Cai; Jiu-Xi Chen","<i>catena</i>-Poly[[(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')chlorocopper(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","9","m403","m405","10.1107/S0108270105022511","","","0.71073","MoKα","","0.057","0.0529","","","0.1015","0.1029","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015042","8.8037","0.0008","12.1484","0.0015","12.9823","0.0017","75.275","0.011","81.075","0.009","80.746","0.009","1315.9","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methoxybenzaldehyde O-(N-phenylcarbamoyl)oxime","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","SF1002","Kubicki, Maciej","(<i>E</i>)-4-Methoxybenzaldehyde <i>O</i>-(<i>N</i>-phenylcarbamoyl)oxime","Acta Crystallographica Section C","2005","61","7","o422","o423","10.1107/S0108270105014952","","","0.71073","MoKα","","0.1164","0.0525","","","0.1024","0.1278","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015043","18.4449","0.0005","9.0987","0.0003","18.675","0.0005","90","","90.535","0.002","90","","3133.99","0.16","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]","","- C24 H52 Br Fe Li2 O6 -","- C24 H52 Br Fe Li2 O6 -","- C96 H208 Br4 Fe4 Li8 O24 -","4","1","SF1003","Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.","A mixed iron(III)/lithium alkoxide","Acta Crystallographica Section C","2005","61","7","m346","m347","10.1107/S0108270105017555","","","0.71073","MoKα","","0.0422","0.0293","","","0.0638","0.0696","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015044","7.633","0.003","15.272","0.006","5.744","0.002","90","","90","","90","","669.6","0.4","98","2","98","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[sodium(I)-μ~2~-tetraethoxyborato]","","- C8 H20 B Na O4 -","- C8 H20 B Na O4 -","- C16 H40 B2 Na2 O8 -","2","0.5","SF1008","Gainsford, Graeme J.; Kemmitt, Tim","<i>catena</i>-Poly[sodium(I)-μ-tetraethoxyborato]","Acta Crystallographica Section C","2005","61","9","m417","m418","10.1107/S0108270105024121","","","0.71073","MoKα","","0.0826","0.0555","","","0.0972","0.1052","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015045","8.4715","0.0017","7.5679","0.0015","11.953","0.002","90","","92.56","0.03","90","","765.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(1,3-diaminopropane-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C8 H20 Cl Cu N7 O4 -","- C8 H20 Cl Cu N7 O4 -","- C16 H40 Cl2 Cu2 N14 O8 -","2","0.5","SK1838","Burčák, Milan; Potočňák, Ivan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. XII. Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section C","2005","61","7","m353","m355","10.1107/S0108270105016768","","","0.71073","MoKα","","0.0437","0.039","","","0.106","0.1092","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015046","12.076","0.002","6.757","0.002","17.875","0.002","90","","101.88","0.01","90","","1427.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","","- C11 H14 Br Cu N5 O -","- C11 H14 Br Cu N5 O -","- C44 H56 Br4 Cu4 N20 O4 -","4","1","SK1843","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","Acta Crystallographica Section C","2005","61","7","m339","m341","10.1107/S0108270105016240","","","0.71073","MoKα","","0.0399","0.029","","","0.0721","0.0771","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015047","22.4142","0.0015","3.8614","0.0002","14.6957","0.001","90","","107.423","0.003","90","","1213.56","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-iodo-N-(2-nitrobenzylidene)aniline","","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","1","0.125","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0544","0.0433","","","0.1034","0.1071","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015048","12.683","0.0007","14.9491","0.0008","6.8707","0.0004","90","","97.849","0.001","90","","1290.48","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-iodo-N-(3-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0893","0.0388","","","0.0685","0.0819","","","","","","0.894","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015049","12.5676","0.0004","7.8818","0.0002","13.511","0.0004","90","","109.633","0.0013","90","","1260.53","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-iodo-N-(2-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","2","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0263","0.025","","","0.0657","0.0669","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015050","11.1485","0.0012","12.3739","0.0015","11.7412","0.0012","90","","108.894","0.006","90","","1532.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK1847","Mera, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","A monoclinic polymorph of 3,7,7-trimethyl-1-phenyl-5,6,7,8-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5-one","Acta Crystallographica Section C","2005","61","7","o442","o444","10.1107/S0108270105016501","","","0.71073","MoKα","","0.1282","0.0651","","","0.1505","0.1792","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015051","13.2882","0.0007","6.8383","0.0004","15.1947","0.0008","90","","104.018","0.003","90","","1339.6","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-(4-methylphenyl)-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.1461","0.0639","","","0.1399","0.1751","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015052","13.68","0.0011","6.6669","0.0006","15.201","0.0016","90","","106.98","0.006","90","","1325.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0959","0.0558","","","0.1245","0.1405","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015053","13.5387","0.0006","6.8551","0.0002","15.2767","0.0007","90","","105.708","0.002","90","","1364.87","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-bromophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C64 H56 Br4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0563","0.0369","","","0.0881","0.0957","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015054","9.4691","0.0003","8.1711","0.0002","18.0278","0.0006","90","","95.343","0.0014","90","","1388.8","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-methoxyphenyl)-5-methyl- 7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0584","0.0424","","","0.1169","0.1261","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015055","10.3792","0.0004","13.6412","0.0006","9.8265","0.0004","90","","107.383","0.0011","90","","1327.74","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Iodo-N-(4-nitrophenyl)benzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1850","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-<i>N</i>-(4-nitrophenyl)benzamide forms hydrogen-bonded sheets of <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2005","61","7","o450","o451","10.1107/S0108270105017312","","","0.71073","MoKα","","0.0863","0.0582","","","0.168","0.1879","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015056","11.7121","0.0012","10.1984","0.001","11.9712","0.0012","90","","93.438","0.002","90","","1427.3","0.2","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(ethylenediaminium) diniobium trioxide octafluoride","","- C4 H20 F8 N4 Nb2 O3 -","- C4 H20 F8 N4 Nb2 O3 -","- C16 H80 F32 N16 Nb8 O12 -","4","1","SK1851","Nicholas F. Stephens; Philip Lightfoot","Ethylenediaminium niobium oxyfluoride","Acta Crystallographica Section C","2005","61","7","m344","m345","10.1107/S0108270105018032","","","0.71073","MoKα","","0.0262","0.0232","","","0.0591","0.0604","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015057","5.958","0.004","12.854","0.004","7.06","0.011","90","","100.26","0.07","90","","532","0.9","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-(2-Pyridyl)pyridinium perchlorate","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","SK1853","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","2-(2-Pyridyl)pyridinium perchlorate, redetermined at 120K: complex hydrogen-bonded sheets","Acta Crystallographica Section C","2005","61","8","o473","o474","10.1107/S0108270105018810","","","0.71073","MoKα","","0.0536","0.0436","","","0.1079","0.1152","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015058","7.087","0.0002","10.1321","0.0004","11.7977","0.0005","87.501","0.002","73.171","0.003","74.828","0.002","782.13","0.05","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","8-methyl-10-phenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.06","0.0433","","","0.1045","0.1135","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015059","11.5561","0.0004","17.6751","0.0007","9.8469","0.0003","90","","98.599","0.002","90","","1988.67","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7,10-diphenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0788","0.0477","","","0.1132","0.1264","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015060","12.0313","0.0003","14.3347","0.0004","12.7956","0.0003","90","","109.309","0.0014","90","","2082.66","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7-(4-methylphenyl)-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0806","0.0504","","","0.1128","0.1289","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015061","12.9148","0.0003","17.5938","0.0005","9.8192","0.0002","90","","104.337","0.0017","90","","2161.64","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-methoxyphenyl)-8-methyl-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0793","0.044","","","0.0979","0.1122","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015062","38.419","0.003","6.8061","0.0004","28.813","0.003","90","","117.115","0.012","90","","6706.1","1.2","122","1","122","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E,E)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","","- C39.5 H34 O3 S3 -","- C39.5 H34 O3 S3 -","- C316 H272 O24 S24 -","8","1","SK1855","Henning Osholm Sørensen; Magnus Magnussen; Nicolai Stuhr-Hansen","(<i>E</i>,<i>E</i>,<i>E</i>)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","Acta Crystallographica Section C","2005","61","8","o503","o505","10.1107/S0108270105020949","","","0.71073","MoKα","","0.0672","0.0481","","","0.113","0.1247","","","","","","1.087","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015063","7.668","0.002","13.691","0.003","14.698","0.003","90","","90","","90","","1543","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II)","","- C11 H15 Cl2 N3 O3 Zn -","- C11 H15 Cl2 N3 O3 Zn -","- C44 H60 Cl8 N12 O12 Zn4 -","4","1","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0509","0.0429","","","0.0799","0.0838","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015064","12.181","0.002","12.312","0.002","12.596","0.002","66.673","0.001","70.632","0.001","69.149","0.001","1580.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) hemihydrate","","- C11 H16 Cl2 N3 O3.5 Zn -","- C11 H16 Cl2 N3 O3.5 Zn -","- C44 H64 Cl8 N12 O14 Zn4 -","4","2","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0629","0.0435","","","0.1162","0.1276","","","","","","0.991","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015065","31.4722","0.0012","31.4722","0.0012","3.656","0.0001","90","","90","","90","","3621.3","0.2","120","2","120","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Glyoxal 4-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C128 H112 N48 O48 -","16","1","SK1857","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Glyoxal 4-nitrophenylhydrazone: triple helices linked into a three-dimensional channel structure","Acta Crystallographica Section C","2005","61","8","o493","o495","10.1107/S0108270105020834","","","0.71073","MoKα","","0.0484","0.0368","","","0.0933","0.0975","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015066","18.5438","0.001","7.2746","0.0003","19.8774","0.0011","90","","106.578","0.004","90","","2570","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[aquabis(1,10-phenanthroline-κ^2^N,N')lead(II)]- μ~1,2,3~-squarato-κO:O':O''] dihydrate]","","- C28 H22 N4 O7 Pb -","- C28 H22 N4 O7 Pb -","- C112 H88 N16 O28 Pb4 -","4","1","SK1858","Uçar, İbrahim; Bulut, Ahmet; Kazak, Canan","A bicapped trigonal‒prismatic lead complex: <i>catena</i>-poly[[[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-μ-squarato-κ<i>O</i>^1^:κ^2^<i>O</i>^2^,<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","9","m428","m431","10.1107/S0108270105024613","","","0.71073","MoKα","","0.0337","0.0272","","","0.0665","0.0684","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015067","8.286","0.001","8.946","0.001","11.971","0.002","110.019","0.002","92.705","0.002","91.482","0.002","832","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","di-μ-thiocyanato-bis((methanol){4-nitro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}cadmium(II)]","","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","1","0.5","SK1859","You, Zhong-Lu; Zhu, Hai-Liang","A novel thiocyanate-bridged dinuclear cadmium(II) complex: di-μ-thiocyanato-bis((methanol){4-nitro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}cadmium(II))","Acta Crystallographica Section C","2005","61","8","m397","m399","10.1107/S0108270105021906","","","0.71073","MoKα","","0.0255","0.0245","","","0.0615","0.0623","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015068","11.7286","0.0003","7.0215","0.0002","23.7552","0.0006","90","","100.263","0.0012","90","","1925","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-benzylidenene-2-thioxothiazolidin-4-one","","- C10 H7 N O S2 -","- C10 H7 N O S2 -","- C80 H56 N8 O8 S16 -","8","2","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0654","0.0376","","","0.0841","0.0951","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015069","4.9428","0.0001","20.0473","0.0008","10.7834","0.0004","90","","90.753","0.002","90","","1068.43","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O S2 -","- C11 H9 N O S2 -","- C44 H36 N4 O4 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0413","0.033","","","0.0816","0.0861","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015070","5.2859","0.0002","6.2263","0.0003","17.1885","0.0008","91.753","0.002","95.326","0.003","90.129","0.003","562.99","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(Z)-2-thioxo-5-(4-trifluoromethylbenzylidenene)thiazolidin-4-one","","- C11 H6 F3 N O S2 -","- C11 H6 F3 N O S2 -","- C22 H12 F6 N2 O2 S4 -","2","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0482","0.0376","","","0.0968","0.1026","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015071","5.1314","0.0002","10.4543","0.0005","20.5324","0.0009","90","","91.702","0.002","90","","1100.98","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxybenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0557","0.0379","","","0.0952","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015072","10.9576","0.0005","16.8316","0.001","30.2015","0.0017","90","","90","","90","","5570.2","0.5","294","1","294","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada- 1,2-dicarbadodecaborane","","- C22 H31 B9 I P Pd S -","- C22 H31 B9 I P Pd S -","- C176 H248 B72 I8 P8 Pd8 S8 -","8","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.1083","0.0367","","","0.1112","0.1621","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015073","12.8117","0.0008","9.267","0.0007","18.2948","0.001","90","","96.567","0.005","90","","2157.8","0.2","294","1","294","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-dimethylphenylphosphine- 3-chloro-4-dimethylsulfido-closo-3-pallada-1,2-dicarbadodecaborane","","- C12 H27 B9 Cl P Pd S -","- C12 H27 B9 Cl P Pd S -","- C48 H108 B36 Cl4 P4 Pd4 S4 -","4","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.0405","0.024","","","0.0589","0.0637","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015074","9.4395","0.0002","13.1565","0.0003","10.9581","0.0002","90","","90","","90","","1360.9","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine","","- C11 H17 N5 O4 -","- C11 H17 N5 O4 -","- C44 H68 N20 O16 -","4","1","SK1862","Arranz Mascarós, Paloma; Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2005","61","9","o548","o550","10.1107/S0108270105024406","","","0.71073","MoKα","","0.0453","0.0398","","","0.1026","0.1063","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015075","22.4197","0.0005","8.9687","0.0002","21.2076","0.0004","90","","117.718","0.0011","90","","3774.99","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS)-N,N'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","2","SK1864","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(1<i>RS</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine: complex sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","9","o551","o554","10.1107/S0108270105024443","","","0.71073","MoKα","","0.0748","0.0475","","","0.1159","0.1289","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015076","8.4969","0.0007","12.6309","0.0009","13.5716","0.0009","76.537","0.006","76.106","0.007","82.191","0.006","1370.14","0.18","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-butyl-N,N'-diisopropylamidinate)dichlorohafnium(IV)","","- C22 H46 Cl2 Hf N4 -","- C22 H46 Cl2 Hf N4 -","- C44 H92 Cl4 Hf2 N8 -","2","1","SQ1201","Andrian P. Milanov; Raghunandan Bhakta; Manuela Winter; Klaus Merz; Anjana Devi","Bis(2-butyl-<i>N</i>,<i>N</i>'-diisopropylamidinato)dichlorohafnium(IV)","Acta Crystallographica Section C","2005","61","7","m370","m372","10.1107/S0108270105016872","","","0.71073","MoKα","","0.042","0.0368","","","0.0869","0.0895","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015077","13.3146","0.0008","5.7488","0.0004","7.1774","0.0006","90","","90","","90","","549.38","0.07","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-aminoethene-1,1,2-tricarbonitrile","","- C5 H2 N4 -","- C5 H2 N4 -","- C20 H8 N16 -","4","1","SQ1210","Tafeenko, Viktor A.; Paseshnichenko, Ksenia A.; Ershov, Oleg V.; Eremkin, Andrey V.; Aslanov, Leonid A.","The twofold interpenetrated three-connected three-dimensional (10,3)-net in 2-aminoethene-1,1,2-tricarbonitrile","Acta Crystallographica Section C","2005","61","7","o434","o437","10.1107/S0108270105016070","","","0.71073","MoKα","","0.0329","0.0316","","","0.0844","0.0851","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015078","6.1028","0.0005","8.801","0.0004","10.1195","0.0006","97.7","0.004","93.71","0.006","101.073","0.006","526.31","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-Benzoylbenzofuran","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0532","0.0395","","","0.0933","0.098","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015079","29.644","0.002","6.2536","0.0005","7.8188","0.0008","90","","105.091","0.006","90","","1399.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-bromobenzofuran-2-yl) ketone","","- C17 H8 Br2 O3 -","- C17 H8 Br2 O3 -","- C68 H32 Br8 O12 -","4","0.5","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0249","0.0187","","","0.0405","0.0426","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015080","7.3816","0.0003","8.2874","0.0006","34.591","0.002","90","","95.487","0.005","90","","2106.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-mesityl-3-methylcyclobutyl 3-methylnaphtho[1,2-b]furan-2-yl ketone","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.06","0.0441","","","0.0993","0.1057","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015081","8.794","0.0004","9.289","0.0004","12.767","0.0013","81.47","0.02","86.4","0.02","65.79","0.02","940.66","0.19","200","","200","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[cyclo-tetra-μ-chloro-tetracopper(I)]-bis{3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1η^2^;1'η^2^,2'κN]","","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","1","0.5","SQ1213","Goreshnik, Evgeny; Karpyak, Volodymyr; Mys'kiv, Marian","<i>catena</i>-Poly[[<i>cyclo</i>-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κ<i>N</i>,1'η^2^;1η^2^,2'κ<i>N</i>]","Acta Crystallographica Section C","2005","61","8","m390","m392","10.1107/S0108270105020299","","","0.7107","MoKα","","0.0816","0.0548","","","0.1265","0.1614","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015082","5.7396","0.0004","6.0284","0.0004","23.8301","0.0017","83.457","0.001","89.241","0.001","63.154","0.001","730.2","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","R/S-ibuprofen sodium dihydrate","sodium (RS)-α-methyl [4-(isobutyl)phenyl]acetate dihydrate","","- C13 H21 Na O4 -","- C13.012 H20.978 Na O4 -","- C26.024 H41.956 Na2 O8 -","2","1","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0616","0.0475","","","0.1244","0.1351","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015083","5.7767","0.0005","6.0835","0.0005","23.88","0.002","83.151","0.001","86.482","0.001","61.612","0.001","733.01","0.11","173","2","173","2","","","","","","","","4","P 1","P 1","1","S-ibuprofen sodium dihydrate","sodium S-α-Methyl-4-(isobutyl)phenylacetate dihydrate","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","2","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0454","0.0402","","","0.1084","0.1131","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015084","4.714","0.001","14.674","0.003","15.162","0.003","90","","93.31","0.03","90","","1047.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium gallium hydrogen arsenate","caesium gallium(III) hydrogen arsenate(V)","","- As3 Cs Ga H5 O12 -","- As3 Cs Ga H5 O12 -","- As12 Cs4 Ga4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0277","0.0238","","","0.0643","0.0663","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015085","4.744","0.001","14.625","0.003","15.127","0.003","90","","93.48","0.03","90","","1047.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium chromium hydrogen arsenate","caesium chromium(III) hydrogen arsenate(V)","","- As3 Cr Cs H5 O12 -","- As3 Cr Cs H5 O12 -","- As12 Cr4 Cs4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0354","0.0242","","","0.0497","0.0527","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015086","9.0502","0.0012","4.526","0.0003","9.9697","0.0011","90","","98.576","0.004","90","","403.8","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","β-2-aminopyridinium dihydrogenphosphate","","- C5 H9 N2 O4 P -","- C5 H9 N2 O4 P -","- C10 H18 N4 O8 P2 -","2","1","SQ1219","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","A second polymorph of 2-aminopyridinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","9","o565","o567","10.1107/S0108270105024923","","","0.71073","MoKα","","0.1019","0.0602","","","0.1202","0.1374","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015087","17.2616","0.0017","7.3476","0.0005","15.536","0.0015","90","","101.815","0.008","90","","1928.7","0.3","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[diaquamanganese(II)]bis(μ-3-hydroxy-2-naphthoato-κ^2^O:O')]","","- C22 H18 Mn O8 -","- C22 H18 Mn O8 -","- C88 H72 Mn4 O32 -","4","1","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0946","0.0872","","","0.3118","0.3159","","","","","","1.214","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015088","6.8188","0.0005","5.2121","0.0003","29.639","0.003","90","","94.917","0.007","90","","1049.5","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetraaquabis(1-hydroxy-2-naphthoato)manganese(II)","","- C22 H22 Mn O10 -","- C22 H22 Mn O10 -","- C44 H44 Mn2 O20 -","2","0.5","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0489","0.0432","","","0.1114","0.1131","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015089","11.4724","0.0014","29.713","0.004","19.495","0.002","90","","92.09","0.002","90","","6641","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti","dichlorodeca-μ~2~oxo-hexakis(pentamethylcyclopentadienyl)hexatitanium(IV)","","- C60 H90 Cl2 O10 Ti7 -","- C60 H90 Cl2 O10 Ti7 -","- C240 H360 Cl8 O40 Ti28 -","4","1","TA1483","Jie Chen; Ning-Hai Hu; Jie Zhan; Yue-Sheng Li","The new polynuclear titanium(IV) complex [(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti (Cp* is η^5^-C~5~Me~5~)","Acta Crystallographica Section C","2005","61","7","m337","m338","10.1107/S0108270105016021","","","0.71073","MoKα","","0.0568","0.043","","","0.1125","0.1214","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015090","8.5841","0.0012","9.0352","0.0012","18.738","0.002","90","","90","","90","","1453.3","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1H-imidazole","","- C15 H17 Cl N4 O2 -","- C15 H17 Cl N4 O2 -","- C60 H68 Cl4 N16 O8 -","4","1","TA1498","Kubicki, Maciej; Wagner, Paweł","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2005","61","8","o509","o511","10.1107/S0108270105021608","","","0.71073","MoKα","","0.042","0.0308","","","0.0518","0.0541","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015091","7.5036","0.0015","17.219","0.003","9.4799","0.0019","90","","96.905","0.003","90","","1216","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 3,5-dinitrosalicylate","strychninium 3,5-dinitrosalicylate","","- C28 H26 N4 O9 -","- C28 H26 N4 O9 -","- C56 H52 N8 O18 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","0.71073","MoKα","","0.0664","0.0577","","","0.1375","0.1424","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015092","7.5762","0.0009","12.3729","0.0009","20.891","0.004","90","","97.96","0.01","90","","1939.4","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid)","strychninium‒5-nitrosalicylate‒5-nitrosalicylic acid (1/1/2)","","- C42 H37 N5 O17 -","- C42 H37 N5 O17 -","- C84 H74 N10 O34 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","1.5418","CuKα","","0.0635","0.056","","","0.1578","0.1675","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015093","8.4778","0.0015","13.085","0.002","6.7562","0.0011","90","","105.001","0.014","90","","723.9","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,6-diaminopyridinium 5-sulfosalicylate monohydrate","2,6-diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate'","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C24 H30 N6 O14 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.053","0.0335","","","0.096","0.112","","","","","","0.886","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015094","6.98","0.0014","9.1573","0.0015","10.849","0.002","84.618","0.014","97.698","0.016","102.879","0.014","668.4","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","1,4-phenylenediaminium 5-sulfosalicylate","1,4-phenylenediaminium 3-carboxylato-4-hydroxybenzenesolfonate","","- C13 H14 N2 O6 S -","- C13 H14 N2 O6 S -","- C26 H28 N4 O12 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.0459","0.0395","","","0.1014","0.1113","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015095","19.751","0.0006","17.645","0.0006","17.1978","0.0007","90","","114.982","0.003","90","","5432.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(1,5- cyclooctadiene)rhodium(I)","","- C27 H34 Br N2 O2 Rh -","- C27 H34 Br N2 O2 Rh -","- C216 H272 Br8 N16 O16 Rh8 -","8","2","TR1125","Dinçer, Muharrem; Özdemir, Namık; Günay, M. Emin; Çetinkaya, Bekir; Büyükgüngör, Orhan","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section C","2005","61","8","m373","m375","10.1107/S0108270105013284","","","0.71073","MoKα","","0.0367","0.0262","","","0.0593","0.0617","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015096","8.01","0.002","10.526","0.002","28.685","0.006","90","","90","","90","","2418.5","0.9","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-Glucopyranoside","","- C22 H24 N2 O9 S2 -","- C22 H24 N2 O9 S2 -","- C88 H96 N8 O36 S8 -","4","1","TY1004","Zao-Zao Qiu; Xin-Ping Hui; Peng-Fei Xu","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2005","61","8","o475","o476","10.1107/S0108270105003951","","","0.7107","MoKα","","","0.0334","","","","0.0463","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015097","9.185","0.0004","5.8294","0.0002","7.9552","0.0003","90","","100.79","0.02","90","","418.41","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dilanthanum ruthenium pentoxide","","- La2 O5 Ru -","- La2 O5 Ru -","- La8 O20 Ru4 -","4","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0258","","","","","","","","1.61","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015098","9.1614","0.0008","5.8075","0.0005","7.9584","0.0008","89.78","0.08","101","0.08","91.76","0.08","415.45","0.13","1.49","0.02","1.49","0.02","","","","","","","","3","P -1","-P 1","2","","dilanthanum ruthenium pentoxide","","- La4 O10 Ru2 -","- La4 O10 Ru2 -","- La8 O20 Ru4 -","2","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0179","","","","","","","","1.62","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015099","11.569","0.003","15.152","0.007","17.66","0.008","90","","103.9","0.03","90","","3005","2","296.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Dichlorooxo(quinoline-8-thiolato-κ^2^N,S)(triphenylphosphine oxide-κO)rhenium(V) acetone solvate","","- C30 H27 Cl2 N O3 P Re S -","- C30 H27 Cl2 N O3 P Re S -","- C120 H108 Cl8 N4 O12 P4 Re4 S4 -","4","1","AV1252","Yoshitaro Miyashita; Tetuya Ohashi; Akiomi Imai; Nagina Amir; Kiyoshi Fujisawa; Ken-ichi Okamoto","Dichlorooxo(quinoline-8-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine oxide-κ<i>O</i>)rhenium(V) acetone solvate","Acta Crystallographica Section C","2005","61","11","m476","m478","10.1107/S0108270105027770","","","0.7107","MoKα","","","0.0451","","","","0.1494","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015100","9.0511","0.0011","10.0953","0.0012","10.6586","0.0013","68.849","0.002","81.453","0.002","87.433","0.002","898.18","0.19","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate","","- C21 H22 O6 -","- C21 H22 O6 -","- C42 H44 O12 -","2","1","AV1256","K. Manoj; S. Devaraj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","O—H···O-bridged dimers linked <i>via</i> C—H···O and C—H···π interactions in 4,6-di-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2005","61","11","o628","o630","10.1107/S0108270105029422","","","0.71073","MoKα","","0.0518","0.0448","","","0.1081","0.1126","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015101","18.202","0.008","5.7","0.002","18.703","0.009","90","","112.091","0.003","90","","1798","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^2^O^1^,N:κO^2^;κO^2^:κ^2^O^1^] chloride]","","- C18 H20 Cl Mn N2 O4 -","- C18 H20 Cl Mn N2 O4 -","- C72 H80 Cl4 Mn4 N8 O16 -","4","0.5","AV1257","Zhang, Li-Fang; Ni, Zhong-Hai; Zong, Zhi-Min; Wei, Xian-Yong; Ge, Chun-Hua; Kou, Hui-Zhong","A novel one-dimensional complex: <i>catena</i>-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^2^<i>O</i>^1^,<i>N</i>:κ<i>O</i>^2^;κ<i>O</i>^2^:κ^2^<i>O</i>^1^] chloride]","Acta Crystallographica Section C","2005","61","12","m542","m544","10.1107/S0108270105034219","","","0.7107","MoKα","","0.0524","0.0449","","","0.1002","0.1027","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015102","8.3589","0.0005","11.9903","0.0007","24.1438","0.0014","75.507","0.005","86.063","0.005","77.418","0.005","2286.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2- yl]hydrazonomethyl}phenol","","- C24 H26 Br N3 O S -","- C24 H26 Br N3 O S -","- C96 H104 Br4 N12 O4 S4 -","4","2","AV1259","Mustafa Serkan Soylu; Nezihe Çalışkan; Alaaddin Çukurovali; Ibrahim Yılmaz; Orhan Büyükgüngör","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazonomethyl}phenol, with N—H···N, C—H···π and π‒π interactions","Acta Crystallographica Section C","2005","61","12","o725","o727","10.1107/S0108270105034724","","","0.71073","MoKα","","0.0716","0.0408","","","0.0883","0.0987","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015103","20.8934","0.0004","14.24","0.0003","22.8886","0.0004","90","","110.014","0.001","90","","6398.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-b]isoquinoline-5,11-dione","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","4","AV1262","M. Yogavel; D. Velmurugan; W. G. Rajeswaran; P. C. Srinivasan; H.-K. Fun","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-<i>b</i>]isoquinoline-5,11-dione","Acta Crystallographica Section C","2005","61","12","o715","o717","10.1107/S0108270105035158","","","0.71073","MoKα","","0.1423","0.0677","","","0.1674","0.2099","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015104","11.191","0.003","12.1156","0.0011","12.6742","0.001","90","","90","","90","","1718.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mercury(II) (-)-sparteine dichloride","Dichloro[(6R,7S,8S,14S)-(-)-sparteine-κ^2^N,N']mercury(II)","","- C15 H26 Cl2 Hg N2 -","- C15 H26 Cl2 Hg N2 -","- C60 H104 Cl8 Hg4 N8 -","4","1","AV1265","Choi, Sung-Nak; Kim, Sang-Yub; Ryu, Hae-Wook; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","Acta Crystallographica Section C","2005","61","12","m504","m506","10.1107/S0108270105033858","","","0.71073","MoKα","","0.0768","0.0454","","","0.0739","0.0821","","","","","","1.008","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015105","26.1571","0.0008","15.3971","0.0005","7.1673","0.0002","90","","101.078","0.002","90","","2832.8","0.15","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-formato-1κ^2^O:2κ^2^O'-di-μ-pyridin-2-olato-1κO:2κN;1κN:2κO- bis[(2-pyridone-κO)copper(II)] acetonitrile 1.02-solvate","","- C24.04 H23.06 Cu2 N5.02 O8 -","- C24.04 H23.06 Cu2 N5.02 O8 -","- C96.16 H92.24 Cu8 N20.08 O32 -","4","0.5","AV1269","Lea Glažar; Marjeta Radišek; Primož Šegedin; Amalija Golobič","Di-μ-formato-1κ^2^<i>O</i>:2κ^2^<i>O</i>'-di-μ-pyridin-2-olato-1κ<i>O</i>:2κ<i>N</i>;1κ<i>N</i>:2κ<i>O</i>-bis[(2-pyridone-κ<i>O</i>)copper(II)] acetonitrile 1.02-solvate","Acta Crystallographica Section C","2005","61","12","m526","m528","10.1107/S0108270105033871","","","0.71073","MoKα","","0.066","0.05","","0.048","","0.044","","","1.093","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015106","12.816","0.003","6.4045","0.0005","10.5889","0.0008","90","","90","","90","","869.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","potassium titanyl phosphate","","- K2 O10 P2 Ti2 -","- K2 O10 P2 Ti2 -","- K8 O40 P8 Ti8 -","4","1","BC1075","Stefan T. Norberg; Nobuo Ishizawa","K-site splitting in KTiOPO~4~ at room temperature","Acta Crystallographica Section C","2005","61","10","i99","i102","10.1107/S0108270105027010","","","0.75052","synchrotron","","0.02","0.019","","0.026","0.025","0.025","","","1.016","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015107","9.9128","0.0004","10.783","0.0003","13.4209","0.0005","90","","90","","90","","1434.56","0.09","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium copper(II) bis(dihydrogendiphosphate) dihydrate","","- Cu H8 K2 O16 P4 -","- Cu H8 K2 O16 P4 -","- Cu4 H32 K8 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0437","0.0243","","","0.062","0.0713","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015108","9.9117","0.0003","10.7736","0.0003","13.4219","0.0005","90","","90","","90","","1433.25","0.08","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","- H32 K8 Ni4 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0276","0.0252","","","0.0866","0.0894","","","","","","1.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015109","9.7699","0.0002","10.9749","0.0003","13.4201","0.0003","90","","90","","90","","1438.95","0.06","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium zinc(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 O16 P4 Zn -","- H8 K2 O16 P4 Zn -","- H32 K8 O64 P16 Zn4 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0347","0.0301","","","0.0877","0.0904","","","","","","1.74","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015110","8.6165","0.0002","7.4725","0.0001","9.2811","0.0003","90","","92.746","0.002","90","","596.89","0.03","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","dipotassium tetrachromate(VI)","dipotassium tetrachromium(VI) tridecaoxide","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","BC1081","Barbara M. Casari; Vratislav Langer","Dipotassium tetrachromate(VI), K~2~Cr~4~O~13~","Acta Crystallographica Section C","2005","61","12","i117","i119","10.1107/S0108270105035833","","","0.71073","MoKα","","0.0707","0.0478","","","0.0929","0.1052","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015111","9.5257","0.0006","5.6597","0.0003","12.4288","0.0007","90","","96.779","0.003","90","","665.38","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N-(2-hydroxyethyl)-β-alaninato]copper(II)","","- C10 H20 Cu N2 O6 -","- C10 H20 Cu N2 O6 -","- C20 H40 Cu2 N4 O12 -","2","0.5","BG1015","Pestov, Alexander V.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Podberezskaya, Nina V.; Yatluk, Yury G.; Skorik, Yury A.","Bis[<i>N</i>-(2-hydroxyethyl)-β-alaninato]copper(II)","Acta Crystallographica Section C","2005","61","12","m510","m512","10.1107/S0108270105033780","","","0.71073","MoKα","","0.043","0.027","","","0.0624","0.0694","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015112","7.0984","0.0009","25.139","0.003","7.937","0.001","90","","97.034","0.006","90","","1405.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methylammonium) octaantimony(III) dodecasulfide persulfide","","- C H6 N S7 Sb4 -","- C H6 N S7 Sb4 -","- C4 H24 N4 S28 Sb16 -","4","1","BG1018","Lees, Rachel J. E.; Powell, Anthony V.; Chippindale, Ann M.","Methylammonium antimony sulfide","Acta Crystallographica Section C","2005","61","12","m516","m518","10.1107/S0108270105032361","","","0.71073","MoKα","","0.0308","0.0241","","0.03","0.0272","0.0272","","","","","","1.0779","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015113","12.028","0.002","7.428","0.0015","22.062","0.004","90","","90","","90","","1971.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","","- C9 H8 O6 Sr -","- C9 H8 O6 Sr -","- C72 H64 O48 Sr8 -","8","1","BG1021","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","Acta Crystallographica Section C","2005","61","12","m523","m525","10.1107/S0108270105034554","","","0.71073","MoKα","","0.0409","0.0285","","","0.0585","0.0625","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015114","7.2228","0.0011","24.518","0.003","5.033","0.0007","90","","120.521","0.01","90","","767.8","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","4,5-Bis(furoylsulfanyl)-1,3-dithiolane-2-thione","","- C13 H6 O4 S5 -","- C13 H6 O4 S5 -","- C26 H12 O8 S10 -","2","0.5","BM1613","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng","4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","2005","61","10","o583","o585","10.1107/S0108270105026053","","","0.71069","MoKα","","0.0495","0.0349","","","0.0814","0.0907","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015115","7.9415","0.0009","22.123","0.003","8.9747","0.001","90","","103.606","0.002","90","","1532.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-dpknph","β-di-2-pyridyl ketone 4-nitrophenylhydrazone","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","BM1616","Bakir, Mohammed; Conry, Rebecca R.; Green, Orville","Polymorphic di-2-pyridyl ketone 4-nitrophenylhydrazone (dpknph): the structure of β-dpknph","Acta Crystallographica Section C","2005","61","10","o607","o609","10.1107/S0108270105027320","","","0.71073","MoKα","","0.0898","0.0409","","","0.083","0.095","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015116","5.7562","0.0001","11.2464","0.0001","12.1365","0.0001","90","","98.162","0.001","90","","777.716","0.017","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-hydroxyphenyl)-2-oxazoline","2-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0451","0.0395","","","0.1129","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015117","11.365","0.0002","12.5867","0.0001","11.2966","0.0002","90","","99.534","0.001","90","","1593.63","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-hydroxyphenyl)-2-oxazoline","3-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","2","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.083","0.0681","","","0.1646","0.1746","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015118","4.7778","0.0001","14.9883","0.0002","10.9194","0.0001","90","","95.945","0.001","90","","777.74","0.02","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-hydroxyphenyl)-2-oxazoline","4-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0707","0.0467","","","0.1183","0.1327","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015119","14.8955","0.0005","20.3681","0.001","24.9276","0.0011","90","","106.169","0.003","90","","7263.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane [7,13,21,27-tetraphenyl-3,17- dioxapentacyclo[23.3.1.1^5,9^.1^11,15^.1^9,23^]ditriaconta- 1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32- tetraolato]dioxouranium dimethylsulfoxide trisolvate","","- C78 H96 N2 O17 S3 U -","- C78 H96 N2 O17 S3 U -","- C312 H384 N8 O68 S12 U4 -","4","1","DN1098","Masci, Bernardo; Levi Mortera, Stefano; Thuéry, Pierre","Inclusion of diprotonated [2.2.2]cryptand in the cavity of uranyl-complexed <i>p</i>-phenyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2005","61","11","m482","m484","10.1107/S0108270105030581","","","0.71073","MoKα","","0.0745","0.0524","","","0.1348","0.1458","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015120","9.0924","0.0005","9.0924","0.0005","5.2862","0.0008","90","","90","","120","","378.47","0.06","290","","290","","","","","","","","","3","P 63","P 6c","173","","Gallium tris(iodate)","","- Ga I3 O9 -","- Ga I3 O9 -","- Ga2 I6 O18 -","2","0.333333","EM1002","Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Gallium tris(iodate), Ga(IO~3~)~3~","Acta Crystallographica Section C","2005","61","11","i109","i110","10.1107/S0108270105029835","","","0.71073","MoKα","","0.0166","0.0158","","","0.0365","0.0367","","","","","","1.271","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015121","7.3004","0.001","32.252","0.004","6.5364","0.0007","90","","91.145","0.015","90","","1538.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium Benzoate","catena-poly[[[diaquacalcium(I)]-μ-aqua-μ-benzoato-κ^4^O:O,O':O'] benzoate]","","- C14 H16 Ca O7 -","- C14 H16 Ca O7 -","- C56 H64 Ca4 O28 -","4","1","FA1149","Senkovska, Irena; Thewalt, Ulf","Triaquabenzoatocalcium(II) monobenzoate: coordination polymer chains linked into a two-dimensional framework by hydrogen bonds","Acta Crystallographica Section C","2005","61","10","m448","m449","10.1107/S0108270105027484","","","0.71073","MoKα","","0.0378","0.0268","","","0.0601","0.0625","","","","","","0.971","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015122","7.7238","0.0002","5.90226","0.00017","10.4499","0.0003","90","","90","","90","","476.39","0.02","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0552","","","","","","","","0.6283","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015123","7.69999","0.00015","5.86734","0.00011","10.4039","0.0002","90","","90","","90","","470.032","0.016","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0473","","","","","","","","0.7255","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015124","7.6902","0.00013","5.84889","0.00009","10.37848","0.00017","90","","90","","90","","466.815","0.013","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0474","","","","","","","","0.8259","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015125","7.68265","0.00011","5.83059","0.00008","10.35278","0.00015","90","","90","","90","","463.746","0.011","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.037","","","","","","","","0.8161","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015126","7.67874","0.00009","5.81248","0.00007","10.32788","0.00012","90","","90","","90","","460.959","0.009","50","","50","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.033","","","","","","","","0.8982","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015127","7.67735","0.0001","5.80377","0.00008","10.31316","0.00013","90","","90","","90","","459.529","0.01","1.5","","1.5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0357","","","","","","","","0.9134","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015128","4.1002","0.0004","36.118","0.004","8.3164","0.0008","90","","103.157","0.002","90","","1199.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(RS)-1,2,3,4-tetrahydroazulene-2,6-dicarboxylic acid 6-ethyl ester","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","FA1151","Hussain, Zakir; Oeser, Thomas; Hopf, Henning","(<i>RS</i>)-6-Ethyl 2-carboxy-1,2,3,4-tetrahydroazulene-6-carboxylate","Acta Crystallographica Section C","2005","61","11","o652","o653","10.1107/S0108270105029744","","","0.71073","MoKα","","0.0674","0.0612","","","0.1326","0.1359","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015129","5.886","0.0002","10.4741","0.0004","20.2724","0.0008","81.09","0.002","89.223","0.002","80.845","0.002","1218.92","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","FA1156","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2005","61","11","o660","o661","10.1107/S0108270105030593","","","1.54178","CuKα","","0.05","0.0416","","","0.111","0.1141","","","","","","0.972","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015130","10.3202","0.001","7.4068","0.0008","11.2845","0.0011","90","","105.505","0.005","90","","831.19","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.0775","0.0468","","","0.118","0.1322","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015131","9.6507","0.0011","9.8918","0.0011","10.0082","0.001","76.118","0.006","67.655","0.007","69.334","0.009","820.61","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.1056","0.0521","","","0.1235","0.1419","","","","","","0.851","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015132","14.6634","0.0012","10.896","0.0006","13.6985","0.0011","90","","110.866","0.006","90","","2045.1","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^,N.N')(dipicolinato- κ^3^O^2^,N,O^6^)copper(II) trihydrate","","- C21 H21 Cu N3 O7 -","- C21 H21 Cu N3 O7 -","- C84 H84 Cu4 N12 O28 -","4","1","FA1158","Ibrahim Uçar; Ahmet Bulut; Orhan Büyükgüngör","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) trihydrate","Acta Crystallographica Section C","2005","61","11","m479","m481","10.1107/S010827010503146X","","","0.71073","MoKα","","0.0641","0.0421","","","0.098","0.1066","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015133","14.802","0.003","8.6144","0.0018","17.832","0.004","90","","90","","90","","2273.8","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate","","- C22 H20 Cl Co N6 O6 -","- C22 H20 Cl Co N6 O6 -","- C88 H80 Cl4 Co4 N24 O24 -","4","1","FA1161","Adams, Harry; Shongwe, Musa S.; Al-Bahri, Ibtisam; Al-Busaidi, Eiman; Morris, Michael J.","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate: a consequence of cobalt ion-assisted oxidative deamination of a tris(pyridyl)aminal ligand","Acta Crystallographica Section C","2005","61","12","m497","m500","10.1107/S0108270105033913","","","0.71073","MoKα","","0.0668","0.0599","","","0.1543","0.1593","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015134","6.863","0.006","39.81","0.03","13.527","0.011","90","","93.276","0.015","90","","3690","5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","2","FG1861","Zhi-Min Jin; Hai Feng; Li Li; Mao-Lin Hu","Hydrogen bonding and π‒π interactions in a laminar structure: benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","Acta Crystallographica Section C","2005","61","10","o593","o595","10.1107/S0108270105026181","","","0.71073","MoKα","","0.0787","0.0652","","","0.1617","0.1733","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015135","14.6984","0.0003","5.0061","0.0001","21.1204","0.0005","90","","96.5502","0.0012","90","","1543.93","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","methyl α-lactoside","methyl 4-O-β-D-galactopyranosyl-α-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","FG1865","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-glucopyranoside (methyl α-lactoside)","Acta Crystallographica Section C","2005","61","12","o674","o677","10.1107/S0108270105033706","","","0.71073","MoKα","","0.0336","0.0321","","","0.0867","0.0947","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015136","10.2345","0.0002","10.2345","0.0002","7.0799","0.0003","90","","90","","120","","642.23","0.03","180","2","180","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","catena-Poly[sodium [[tricyanatozinc(II)]-μ-1,4-diazobicyclo[2.2.2]octane-κ^2^N:N']]","","- C9 H12 N5 Na O3 Zn -","- C9 H12 N5 Na O3 Zn -","- C18 H24 N10 Na2 O6 Zn2 -","2","0.0833333","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.0322","0.0306","","","0.0756","0.0762","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015137","14.388","0.001","16.483","0.002","26.438","0.003","90","","90.024","0.006","90","","6270","1.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dicyanatozinc(II)]-μ-4,4'-bipyridine-κ^2^N:N']","","- C12 H8 N4 O2 Zn -","- C12 H8 N4 O2 Zn -","- C240 H160 N80 O40 Zn20 -","20","5","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.2055","0.0707","","","0.1601","0.2209","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015138","8.7941","0.0018","17.45","0.004","11.007","0.002","90","","98.174","0.016","90","","1671.9","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.0441","0.0359","","","0.0893","0.0937","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015139","28.461","0.005","9.456","0.002","15.86","0.003","90","","122.819","0.011","90","","3587.1","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4-(2-methoxyphenyl)-7,7- dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one hemihydrate","","- C18 H21 N2 O5.5 -","- C18 H21 N2 O5.5 -","- C144 H168 N16 O44 -","8","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.1453","0.0547","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015140","20.6762","0.0007","7.2443","0.0002","10.3501","0.0003","90","","116.575","0.002","90","","1386.5","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,3-dibromo-1,3-diphenylpropan-1-one","","- C15 H12 Br2 O -","- C15 H12 Br2 O -","- C60 H48 Br8 O4 -","4","1","FG1880","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Anilkumar, H. G.","Do C—H···O and C—H···π interactions help to stabilize a non-centrosymmetric structure for racemic 2,3-dibromo-1,3-diphenylpropan-1-one?","Acta Crystallographica Section C","2005","61","12","o728","o730","10.1107/S0108270105036942","","","0.71073","MoKα","","0.0291","0.0264","","","0.057","0.0582","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015141","7.7492","0.0004","18.3881","0.001","18.6756","0.0011","90","","96.187","0.001","90","","2645.6","0.3","187","1","187","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","poly[3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium octa-μ-bromochloro(4.4/3.6)-tricadmate(II)","","- C12 H18 Br4.41 Cd3 Cl3.59 N4 O S -","- C12 H18 Br4.409 Cd3 Cl3.591 N4 O S -","- C48 H72 Br17.636 Cd12 Cl14.364 N16 O4 S4 -","4","1","FG1881","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Interactions of thiamine with polymeric halogenocadmate anions in the organic‒inorganic hybrid compound (thiaminium)[Cd~3~Br~4.4~Cl~3.6~]","Acta Crystallographica Section C","2005","61","12","m538","m541","10.1107/S0108270105037145","","","0.71073","MoKα","","0.0369","0.0271","","","0.0569","0.06","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015142","4.9794","0.0007","6.147","0.0009","6.8905","0.001","106.85","0.002","90.177","0.002","94.213","0.002","201.24","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","dimethyl selenoxide","","- C2 H6 O Se -","- C2 H6 O Se -","- C4 H12 O2 Se2 -","2","1","FR1528","Filatov, Alexander S.; Block, Eric; Petrukhina, Marina A.","Dimethyl selenoxide","Acta Crystallographica Section C","2005","61","10","o596","o598","10.1107/S0108270105027587","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0449","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015143","32.7","0.007","12.926","0.003","16.065","0.003","90","","104.73","0.03","90","","6567","3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrimethaminium(2+) nitrate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine-1,3-diium dinitrate","","- C12 H15 Cl N6 O6 -","- C12 H15 Cl N6 O6 -","- C192 H240 Cl16 N96 O96 -","16","2","GA1099","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in pyrimethaminium dinitrate","Acta Crystallographica Section C","2005","61","10","o586","o588","10.1107/S0108270105016513","","","0.71073","MoKα","","0.1408","0.0594","","","0.1544","0.231","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015144","11.718","0.005","10.794","0.005","13.868","0.006","90","","99.727","0.008","90","","1728.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazonato- κ^3^N,N',S]dioxovanadium(V)","","- C16 H16 N5 O2 S V -","- C16 H16 N5 O2 S V -","- C64 H64 N20 O8 S4 V4 -","4","1","GA1108","Varughese Philip; E. Manoj; M. R. Prathapachandra Kurup; Munirathinam Nethaji","[Di-2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-(butane-1,4-diyl)thiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]dioxovanadium(V)","Acta Crystallographica Section C","2005","61","11","m488","m490","10.1107/S0108270105030337","","","0.71073","MoKα","","0.0539","0.0391","","","0.1033","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015145","7.924","0.001","13.578","0.002","25.003","0.003","90","","90","","90","","2690.1","0.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]- μ-chloro]","","- C13 H10 Br Cl N2 O Zn -","- C13 H10 Br Cl N2 O Zn -","- C104 H80 Br8 Cl8 N16 O8 Zn8 -","8","1","GA1109","You, Zhong-Lu","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","10","m456","m458","10.1107/S010827010502932X","","","0.71073","MoKα","","0.1133","0.0561","","","0.1091","0.128","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015146","18.892","0.007","7.336","0.003","18.357","0.007","90","","116.552","0.005","90","","2275.8","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Fe O28 S2 -","- C34 H54 Fe O28 S2 -","- C68 H108 Fe2 O56 S4 -","2","0.5","GA1112","Zun-Ting Zhang; Xin-Li Cheng","Hydrogen bonding and π‒π stacking in hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","12","m529","m531","10.1107/S0108270105036218","","","0.71073","MoKα","","0.0757","0.0418","","","0.0934","0.1125","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015147","13.131","0.001","7.829","0.001","16.911","0.002","90","","111.903","0.001","90","","1613","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]-di-μ- thiocyanato-dicadmium(II)]","","- C14 H9 Cd Cl2 N3 O S -","- C14 H9 Cd Cl2 N3 O S -","- C56 H36 Cd4 Cl8 N12 O4 S4 -","4","1","GA1113","You, Zhong-Lu","<i>catena</i>-Poly[[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]dicadmium(II)]-di-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","12","m532","m534","10.1107/S0108270105036127","","","0.71073","MoKα","","0.035","0.0281","","","0.0678","0.0709","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015148","8.0145","0.0014","6.66","0.001","16.489","0.004","90","","90.2","0.018","90","","880.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-aqua-di-μ~5~-croconato(2-)-nickel(II)dipotassium(I)] tetrahydrate]","","- C10 H12 K2 Ni O16 -","- C10 H12 K2 Ni O16 -","- C20 H24 K4 Ni2 O32 -","2","0.5","GD1416","Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao","Poly[[di-μ~2~-aqua-di-μ~5~-croconato(2‒)-nickel(II)dipotassium(I)] tetrahydrate]","Acta Crystallographica Section C","2005","61","12","m535","m537","10.1107/S0108270105036322","","","0.71073","MoKα","","0.0514","0.0362","","","0.0779","0.083","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015149","6.1449","0.0011","7.8343","0.001","13.08","0.003","90","","100.25","0.015","90","","619.6","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","endo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0468","0.0359","","","0.0731","0.0764","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015150","24.47","0.003","8.8444","0.0008","11.8252","0.0014","90","","97.119","0.009","90","","2539.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","exo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C96 H144 N16 O32 -","8","2","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0595","0.0312","","","0.0783","0.0843","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015151","9.3587","0.0012","10.3445","0.0013","16.925","0.002","92.079","0.002","95.775","0.002","95.245","0.002","1621.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","(I)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","4","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.067","0.0641","","","0.1478","0.1497","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015152","4.863","0.001","10.771","0.002","12.228","0.002","80.45","0.03","89.23","0.03","88.61","0.03","631.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","(II)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-serine monohydrate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0492","0.0479","","","0.1131","0.1139","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015153","6.9334","0.0009","8.2977","0.001","13.2491","0.0016","90.78","0.002","93.498","0.002","107.293","0.002","726.02","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","(III)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-lysine","","- C13 H21 N5 O4 -","- C13 H21 N5 O4 -","- C26 H42 N10 O8 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0426","0.0381","","","0.0969","0.0998","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015154","7.1369","0.0002","18.6755","0.0006","9.8009","0.0004","90","","103.694","0.003","90","","1269.18","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Di-tert-butylphenol","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","GG1284","Lutz, Martin; Spek, Anthony L.","2,6-Di-<i>tert</i>-butylphenol revisited at 110 K","Acta Crystallographica Section C","2005","61","11","o639","o641","10.1107/S0108270105030325","","","0.71073","MoKα","","0.0483","0.0373","","","0.0932","0.1003","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015155","9.0644","0.0004","10.4661","0.0006","9.7703","0.0005","90","","103.131","0.003","90","","902.66","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid monohydrate","","- C14 H20 O12 -","- C14 H20 O12 -","- C28 H40 O24 -","2","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0471","0.0376","","","0.0897","0.0938","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015156","9.483","0.0008","12.6536","0.0012","15.1455","0.0014","90","","90","","90","","1817.4","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetra-O-acetyl-beta-D-glucose","1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0956","0.0464","","","0.1229","0.1483","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015157","13.907","0.003","7.856","0.002","15.357","0.003","90","","93.21","0.02","90","","1675.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolinium bromide monohydrate","","- C16 H26 Br N O3 -","- C16 H26 Br N O3 -","- C64 H104 Br4 N4 O12 -","4","1","GG1288","Hempel, Andrew; Lilian Y. Y. Ma; Camerman, Arthur; Mastropaolo, Donald; Camerman, Norman","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[<i>f</i>]quinolinium bromide monohydrate, a dopamine agonist","Acta Crystallographica Section C","2005","61","12","o681","o682","10.1107/S0108270105033329","","","1.54178","CuKα","","0.0794","0.0329","","","0.0789","0.0848","","","","","","0.699","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015158","14.0121","0.0002","19.6631","0.0003","15.3773","0.0002","90","","110.3","0.0008","90","","3973.63","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hydronium bis[(-)-N-(trans-4-isopropylcyclohexanecarbonyl)-D-phenylalanine] chloride","","- C38 H57 Cl N2 O7 -","- C38 H57 Cl N2 O7 -","- C152 H228 Cl4 N8 O28 -","4","2","GG1291","Limor Tessler; Israel Goldberg","Bis(nateglinide) hydronium chloride, and its unique self-assembly into extended polymeric arrays <i>via</i> O—H···O, N—H···Cl and O—H···Cl hydrogen bonds","Acta Crystallographica Section C","2005","61","12","o738","o740","10.1107/S0108270105037558","","","0.71073","MoKα","","0.0925","0.0553","","","0.1021","0.1151","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015159","11.3331","0.0009","5.4092","0.0003","20.3509","0.0018","90","","90.653","0.007","90","","1247.49","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C14 H9 N5 S -","- C14 H9 N5 S -","- C56 H36 N20 S4 -","4","1","GZ1015","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Büyk̈güngör, Orhan","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","2005","61","11","o665","o667","10.1107/S0108270105032403","","","0.71073","MoKα","","0.0614","0.0373","","","0.0719","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015160","13.9223","0.0018","14.2423","0.0018","21.57","0.003","83.079","0.002","72.024","0.002","70.605","0.002","3836.6","0.9","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","9,9-di-n-octyl-9H-fluorene","","- C29 H42 -","- C29 H42 -","- C174 H252 -","6","3","GZ1016","McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.","9,9-Di-<i>n</i>-octyl-9<i>H</i>-fluorene","Acta Crystallographica Section C","2005","61","12","o671","o673","10.1107/S0108270105032786","","","0.71073","MoKα","","0.1046","0.0596","","","0.1584","0.1903","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015161","5.554","0.001","18.754","0.003","8.974","0.002","90","","101.84","0.03","90","","914.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isatin 3-semicarbazone","1H-indole-2,3-dione 3-semicarbazone","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","1.54178","CuKα","","0.0593","0.0337","","","0.0789","0.0915","","","","","","0.929","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015162","3.984","0.002","20.93","0.006","12.122","0.002","90","","90","","90","","1010.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylisatin-3-semicarbazone","1-methylindole-2,3-dione 3-semicarbazone","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","0.71073","MoKα","","0.0343","0.0278","","","0.0742","0.0768","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015163","7.607","0.002","13.615","0.003","14.544","0.003","90","","90","","90","","1506.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(1H-benzimidazol-2-ylmethyl)aminium chloride","","- C16 H16 Cl N5 -","- C16 H16 Cl N5 -","- C64 H64 Cl4 N20 -","4","1","HJ1062","Xue-Li Zhang; Sheng-Run Zheng; Yue-Peng Cai; Cheng-Yong Su","2,2'-(Iminodimethylene)bis(1<i>H</i>-benzimidazolium)(1+) chloride","Acta Crystallographica Section C","2005","61","11","o642","o644","10.1107/S0108270105021992","","","0.71073","MoKα","","0.0332","0.0266","","","0.0639","0.0672","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015164","7.4666","0.0006","10.0219","0.0008","10.3856","0.0008","90","","106.444","0.001","90","","745.36","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κN:κN':κO] monohydrate]","","- C14 H16 Co N4 O5 -","- C14 H16 Co N4 O5 -","- C28 H32 Co2 N8 O10 -","2","0.5","HJ1066","You-Huan Wei; An-Zhi Tan; Zi-Lu Chen; Fu-Pei Liang; Rui-Xiang Hu","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section C","2005","61","10","m453","m455","10.1107/S0108270105028349","","","0.71073","MoKα","","0.0299","0.0279","","","0.0773","0.0789","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015165","10.885","0.002","16.216","0.003","11.108","0.002","90","","96.04","0.03","90","","1949.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[μ-hexanedioato-1κO^1^:2κO^6^-bis[[[aqua(5-carboxypentanoato- κO]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']copper(II)]]","","- C19 H23 Cu N2 O7 -","- C19 H23 Cu N2 O7 -","- C76 H92 Cu4 N8 O28 -","4","1","HJ1068","Jian-Li Lin; Yue-Qing Zheng","<i>catena</i>-Poly[[μ-hexanedioato-1κ<i>O</i>^1^:2κ<i>O</i>^6^-bis[aqua(5-carboxypentanoato-κ<i>O</i>)copper(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>']","Acta Crystallographica Section C","2005","61","12","m501","m503","10.1107/S0108270105032506","","","0.71073","MoKα","","0.0423","0.0357","","","0.0969","0.101","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015166","12.101","0.005","24.379","0.005","10.679","0.005","90","0.005","105.413","0.005","90","0.005","3037","2","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[bis(4,4'-bipyridine-κN)cadmium(II)]-μ~3~-4,4'-dicarboxybiphenyl- 3,3'-dicarboxylato] 0.352-hydrate","","- C36 H24.7 Cd N4 O8.35 -","- C36 H24 Cd N4 O8.352 -","- C144 H96 Cd4 N16 O33.408 -","4","1","HJ1069","Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang","A novel cadmium(II) coordination polymer with biphenyl-3,3',4,4'-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2005","61","11","m469","m471","10.1107/S0108270105028751","","","0.71069","MoKα","","0.1346","0.0482","","","0.0867","0.1151","","","","","","0.955","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015167","20.174","0.003","7.343","0.001","10.614","0.0014","90","","90","","90","","1572.3","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","","","- C10 H21 I2 N3 -","- C10 H21 I2 N3 -","- C40 H84 I8 N12 -","4","0.5","HJ1071","Janzen, Daron E.; Ewbank, Paul C.; Mann, Kent R.","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","Acta Crystallographica Section C","2005","61","11","o631","o633","10.1107/S0108270105028763","","","0.71069","MoKα","","0.0409","0.0291","","","0.0432","0.0451","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015168","8.4822","0.0005","13.6287","0.0009","14.3131","0.0009","63.081","0.005","81.702","0.005","85.936","0.005","1459.86","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","","- C10 H17 N4 O6 P -","- C10 H17 N4 O6 P -","- C40 H68 N16 O24 P4 -","4","2","HJ1076","Dinçer, Muharrem; Özdemir, Namık; Sarıpınar, Emin; Kulak, Lalehan; Büyükgüngör, Orhan","<i>N</i>-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","12","o722","o724","10.1107/S0108270105037522","","","0.71073","MoKα","","0.0796","0.0549","","","0.1407","0.1529","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015169","9.6992","0.0018","6.4069","0.0012","12.919","0.002","90","","93.974","0.014","90","","800.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","deacetylcephalothin","(6R,7R)-3-hydroxymethyl-8-oxo-7-(2-thiophen-2-ylacetylamino) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C28 H28 N4 O10 S4 -","2","1","JZ1751","Zachara, Janusz; Madura, Izabela D.; Zimniak, Andrzej; Oszczapowicz, Irena; Chrobak, Iwona","The hydrogen-bonding network in deacetylcephalothin","Acta Crystallographica Section C","2005","61","11","o625","o627","10.1107/S0108270105029811","","","0.71073","MoKα","","0.0431","0.0376","","","0.0867","0.0901","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015170","8.5118","0.0007","7.2369","0.0013","21.181","0.005","90","","96.714","0.015","90","","1295.8","0.4","295","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.084","0.0438","","","0.1071","0.1265","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015171","6.7621","0.0009","8.6521","0.0013","11.4715","0.0018","98.523","0.011","102.398","0.012","102.991","0.009","624.97","0.17","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.049","0.0453","","","0.1243","0.1296","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015172","10.773","0.0019","9.271","0.004","12.5769","0.0016","90","","95.71","0.02","90","","1249.9","0.6","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.0728","0.0413","","","0.1046","0.1208","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015173","26.626","0.002","6.6818","0.0005","16.8821","0.0013","90","","107.565","0.001","90","","2863.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dichlorobis(2-picolylamine)iron(II)","cis/trans-dichlorobis(2-picolylamine)iron(II)","","- C12 H16 Cl2 Fe N4 -","- C12 H16 Cl2 Fe N4 -","- C96 H128 Cl16 Fe8 N32 -","8","1","LN1183","Karl W. Törnroos; Dmitry Chernyshov; Marc Hostettler; Hans-Beat Bürgi","Co-crystallized <i>cis</i> and <i>trans</i> isomers of dichlorobis(2-picolylamine)iron(II)","Acta Crystallographica Section C","2005","61","10","m450","m452","10.1107/S0108270105028167","","","0.71073","MoKα","","0.0389","0.0266","","","0.0591","0.063","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015174","11.382","0.002","14.048","0.003","13.162","0.003","90","","91.16","0.03","90","","2104.1","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(2,6-difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 F5 N O5 S -","- C22 H14 F5 N O5 S -","- C88 H56 F20 N4 O20 S4 -","4","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1377","0.048","","","0.1087","0.1442","","","","","","0.971","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015175","8.306","0.002","9.057","0.002","11.423","0.002","69.94","0.03","77.8","0.03","72.16","0.03","762.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-difluorophenyl acridine-9-carboxylate","","- C20 H11 F2 N O2 -","- C20 H11 F2 N O2 -","- C40 H22 F4 N2 O4 -","2","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1191","0.0423","","","0.1","0.1287","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015176","7.0679","0.0018","15.983","0.004","8.907","0.002","90","","104.78","0.01","90","","972.9","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒pyrene (1/1)","","- C24 H10 Cl4 N2 -","- C24 H10 Cl4 N2 -","- C48 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.041","0.032","","","0.077","0.081","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015177","7.1731","0.0018","15.599","0.004","9.104","0.002","90","","110.6","0.01","90","","953.5","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒phenanthrene (1/1)","","- C22 H10 Cl4 N2 -","- C22 H10 Cl4 N2 -","- C44 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.049","0.042","","","0.112","0.115","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015178","8.6379","0.0002","13.3638","0.0003","16.3161","0.0003","90","","90","","90","","1883.45","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1.3^]dodecan- 11-one thiosemicarbazone","","- C17 H25 Cl2 N3 S -","- C17 H25 Cl2 N3 S -","- C68 H100 Cl8 N12 S4 -","4","1","LN1186","Ourhriss, N; Giorgi, M.; Mazoir, N.; Benharref, A.","Absolute configuration and conformational disorder of a tricyclic thiosemicarbazone derivative","Acta Crystallographica Section C","2005","61","12","o699","o701","10.1107/S0108270105033470","","","0.71073","MoKα","","0.032","0.0294","","","0.0704","0.0724","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015179","20.8661","0.0003","9.6138","0.0002","16.0702","0.0005","90","","107.887","0.0008","90","","3067.9","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate methanol disolvate","","- C34 H47 N O6 -","- C34 H47 N O6 -","- C136 H188 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1176","0.0643","","","0.142","0.1679","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015180","23.818","0.0009","9.8444","0.0003","12.3959","0.0004","90","","93.177","0.0012","90","","2902.05","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate dihydrate","","- C32 H43 N O6 -","- C32 H43 N O6 -","- C128 H172 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1738","0.0731","","","0.1716","0.2143","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015181","11.086","0.002","21.846","0.005","7.2","0.0015","90","","105.615","0.004","90","","1679.4","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline- κ^2^N,N')cadmium(II)]-μ~3~-thiosulfato-κ^3^S:S:O]","","- C16 H18 Cd N2 O4 S2 -","- C16 H18 Cd N2 O4 S2 -","- C64 H72 Cd4 N8 O16 S8 -","4","1","OB1239","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-thiosulfato-κ^3^<i>S</i>:<i>S</i>:<i>O</i>]","Acta Crystallographica Section C","2005","61","11","m494","m496","10.1107/S0108270105025151","","","0.71073","MoKα","","0.0846","0.0579","","","0.1019","0.11","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015182","11.5406","0.0012","9.2179","0.0007","22.432","0.002","90","","90.263","0.008","90","","2386.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C108 H72 F24 S8 -","4","1","OB1244","Pu, Shou-Zhi; Liu, Gang; Chen, Bing; Wang, Ru-Ji","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a novel photochromic hybrid diarylethene","Acta Crystallographica Section C","2005","61","10","o599","o601","10.1107/S0108270105028143","","","0.71073","MoKα","","0.0713","0.0544","","","0.1039","0.1116","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015183","13.1896","0.001","24.3104","0.0018","8.0185","0.0006","90","","100.103","0.002","90","","2531.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Mg N8 O -","- C33 H20 Mg N8 O -","- C132 H80 Mg4 N32 O4 -","4","1","RB1016","Ilia A. Guzei; Robert W. McGaff; Heidi M. Kieler","Why magnesium is five-coordinate in methanol(phthalocyaninato)magnesium(II)","Acta Crystallographica Section C","2005","61","11","m472","m475","10.1107/S0108270105029732","","","0.71073","Mo-Kα","","0.0655","0.043","","","0.1059","0.1195","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015184","16.93","0.003","10.7694","0.0018","17.665","0.003","90","","111.543","0.005","90","","2995.8","0.9","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Cyanophenyl)ethenyl]-N-methylpyridinium tetraphenylborate","","- C39 H33 B N2 -","- C39 H33 B N2 -","- C156 H132 B4 N8 -","4","1","SF1010","Dan Jin; De-Chun Zhang","4-[2-(4-Cyanophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2005","61","11","o657","o659","10.1107/S010827010503060X","","","0.7107","MoKα","","0.0627","0.051","","","0.1143","0.1208","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015185","7.9043","0.0016","10.23","0.002","12.597","0.003","102.32","0.03","102.61","0.03","110.5","0.03","883","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium tetrahydrate","","- C6 H18 N4 O11 S3 V -","- C6 H18 N4 O11 S3 V -","- C12 H36 N8 O22 S6 V2 -","2","1","SF1012","Zhi-Yong Wu; Yan-Tuan Li; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium(IV) tetrahydrate","Acta Crystallographica Section C","2005","61","11","m463","m465","10.1107/S0108270105028982","","","0.71073","MoKα","","0.0365","0.0307","","","0.0823","0.0885","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015186","15.649","0.002","15.649","0.002","8.653","0.002","90","","90","","90","","2119","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","Dichlorotetrakis[3-(4-pyridyl)-1H-pyrazole]cobalt(II) acetonitrile tetrasolvate","","- C40 H40 Cl2 Co N16 -","- C40 H40 Cl2 Co N16 -","- C80 H80 Cl4 Co2 N32 -","2","0.25","SF1015","Graham M. Davies; Harry Adams; Michael D. Ward","Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant","Acta Crystallographica Section C","2005","61","11","m485","m487","10.1107/S0108270105031732","","","0.71073","MoKα","","0.0341","0.029","","","0.0672","0.0692","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015187","5.9845","0.0002","5.5962","0.0002","19.1168","0.0006","90","","104.558","0.002","90","","619.67","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzaldehyde 3-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.0696","0.0644","","","0.147","0.1493","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015188","6.228","0.0007","5.3947","0.001","19.249","0.004","90","","106.847","0.011","90","","618.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.154","0.0682","","","0.1762","0.2076","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015189","17.9563","0.0016","3.716","0.0002","22.0624","0.0017","90","","124.406","0.005","90","","1214.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.1205","0.0692","","","0.1505","0.1696","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015190","6.8859","0.0003","24.7258","0.0012","7.2582","0.0002","90","","107.953","0.002","90","","1175.61","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 F2 N3 O -","- C13 H9 F2 N3 O -","- C52 H36 F8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.052","0.0407","","","0.0956","0.1009","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015191","7.7369","0.0002","10.7764","0.0004","14.9091","0.0005","90","","90.24","0.0018","90","","1243.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dichlorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 Cl2 N3 O -","- C13 H9 Cl2 N3 O -","- C52 H36 Cl8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.0403","0.0313","","","0.0853","0.0993","","","","","","1.154","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015192","7.6466","0.0006","17.0714","0.0012","19.7596","0.0014","90","","98.06","0.001","90","","2553.9","0.3","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate","","- C25 H33 N2 O4 P S -","- C25 H33 N2 O4 P S -","- C100 H132 N8 O16 P4 S4 -","4","1","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0528","0.0393","","","0.0827","0.0865","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015193","29.333","0.002","9.9415","0.0007","23.3483","0.0017","90","","112.542","0.001","90","","6288.5","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","imidazolium 6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate diisopropyl hydrazodicarboxylate hemisolvate","","- C58 H82 N6 O12 P2 S2 -","- C58 H82 N6 O12 P2 S2 -","- C232 H328 N24 O48 P8 S8 -","4","0.5","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0798","0.0484","","","0.1209","0.1348","","","","","","0.947","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015194","13.6671","0.0008","7.0632","0.0004","23.5991","0.0017","90","","90","","90","","2278.1","0.2","150","2","150","2","","","","","","","","5","P n a b","-P 2bc 2n","60","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0373","0.0248","","","0.0439","0.047","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015195","12.1244","0.0016","8.1353","0.0011","23.267","0.003","90","","91.654","0.002","90","","2294","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0459","0.0435","","","0.0811","0.0818","","","","","","1.418","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015196","7.54","0.001","9.388","0.001","12.228","0.001","76.208","0.001","85.222","0.001","77.32","0.001","819.67","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]zinc(II)}","","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","1","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.0578","0.0406","","","0.0995","0.1107","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015197","8.718","0.001","13.387","0.002","13.564","0.002","90","","103.305","0.002","90","","1540.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thiocyanato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]copper(II)}","","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","2","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.082","0.0469","","","0.0911","0.1046","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015198","7.2773","0.0002","7.6207","0.0001","11.6821","0.0003","100.248","0.002","107.777","0.001","92.529","0.002","603.73","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(2-nitrophenyl)-2-iodobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C26 H18 I2 N4 O6 -","2","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0197","0.0184","","","0.0448","0.0453","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015199","8.8908","0.0002","9.7468","0.0002","15.0112","0.0002","90","","90","","90","","1300.82","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0173","0.0165","","","0.0357","0.0361","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015200","7.3096","0.0002","10.9305","0.0004","15.3801","0.0005","90","","94.569","0.002","90","","1224.93","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0501","0.0413","","","0.1062","0.112","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015201","8.2161","0.0003","10.8475","0.0003","14.1397","0.0004","90","","106.292","0.0018","90","","1209.59","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0655","0.0449","","","0.118","0.1316","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015202","7.7821","0.0003","10.6633","0.0004","14.8417","0.0006","90","","100.799","0.002","90","","1209.8","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0867","0.0513","","","0.12","0.1392","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015203","6.7545","0.0002","13.8578","0.0005","15.2311","0.0005","90","","91.098","0.002","90","","1425.41","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H11 N5 O6 -","- C13 H11 N5 O6 -","- C52 H44 N20 O24 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0516","0.0393","","","0.1068","0.1157","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015204","11.959","0.002","10.691","0.002","12.257","0.003","90","","104.93","0.03","90","","1514.2","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diisonicotinamidium squarate","bis(4-carbamoylpyridinium) squarate","","- C16 H14 N4 O6 -","- C16 H14 N4 O6 -","- C64 H56 N16 O24 -","4","0.5","SK1874","Köroglu, Ahmet; Bulut, Ahmet; Uçar, Ibrahim; Nichol, Gary S.; Harrington, Ross W.; Clegg, William","Proton sharing in bis(4-carbamoylpyridinium) squarate","Acta Crystallographica Section C","2005","61","12","o678","o680","10.1107/S0108270105032622","","","0.71073","MoKα","","0.0608","0.0387","","","0.0954","0.1051","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015205","11.93","0.002","21.79","0.004","7.77","0.0016","90","","90","","90","","2019.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N',N''-Tris(p-methoxyphenyl)phosphoric triamide","","- C21 H24 N3 O4 P -","- C21 H24 N3 O4 P -","- C84 H96 N12 O16 P4 -","4","1","SK1875","Li, Chenguang; Dyer, Daniel J.; Rath, Nigam P.; Robinson, Paul D.","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(<i>p</i>-methoxyphenyl)phosphoric triamide","Acta Crystallographica Section C","2005","61","11","o654","o656","10.1107/S0108270105031720","","","0.71073","MoKα","","0.05","0.04","","","0.094","0.1","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015206","15.6775","0.001","6.2641","0.0004","22.811","0.002","90","","124.292","0.006","90","","1850.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","hydronium diaqua-1κO,2κO-trichloro-1κCl;2κ^2^Cl-μ-dimethylglycinato-1κO:2κ^2^O',N- dimethylglycinato-1κ^2^N,O-dicuprate(II)","","- C8 H23 Cl3 Cu2 N2 O7 -","- C8 H23 Cl3 Cu2 N2 O7 -","- C32 H92 Cl12 Cu8 N8 O28 -","4","1","SK1876","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Weak antiferromagnetic interactions in hydronium diaqua-1κ<i>O</i>,2κ<i>O</i>-trichloro-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-μ-dimethylglycinato-1κ<i>O</i>:2κ^2^<i>O</i>',<i>N</i>-dimethylglycinato-1κ^2^<i>N</i>,<i>O</i>-dicuprate(II)","Acta Crystallographica Section C","2005","61","12","m507","m509","10.1107/S0108270105034141","","","0.71073","MoKα","","0.0525","0.0293","","","0.0774","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015207","5.9538","0.0004","8.994","0.0006","18.7484","0.0008","90","","98.324","0.004","90","","993.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Benzylethylammonium nitrate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","SK1877","Abonia, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-Benzylethylammonium nitrate: a three-dimensional hydrogen-bonded framework comprising substructures in zero, one and two dimensions","Acta Crystallographica Section C","2005","61","11","o645","o647","10.1107/S0108270105031719","","","0.71073","MoKα","","0.0541","0.0425","","","0.1239","0.1319","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015208","4.965","0.0009","8.621","0.0017","10.261","0.0017","100.474","0.002","102.939","0.002","99.823","0.002","410.56","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","violuric acid methanol solvate","pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime methanol solvate","","- C5 H7 N3 O5 -","- C5 H7 N3 O5 -","- C10 H14 N6 O10 -","2","1","SK1883","Nichol, Gary S.; Clegg, William","Hydrogen-bonding and carbonyl‒carbonyl interactions in violuric acid methanol solvate","Acta Crystallographica Section C","2005","61","12","o718","o721","10.1107/S010827010503605X","","","0.6751","synchrotron","","0.0461","0.041","","","0.1091","0.1127","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015209","7.2055","0.0002","9.6702","0.0004","12.9606","0.0006","93.9639","0.0019","92.624","0.002","107.904","0.002","855.15","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C40 H42 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.0886","0.0528","","","0.1174","0.1372","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015210","7.0677","0.0002","11.2167","0.0004","12.1844","0.0004","83.6482","0.0015","86.333","0.002","73.2481","0.0018","918.74","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O3 -","- C21 H23 F2 N O3 -","- C42 H46 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.077","0.0519","","","0.1267","0.1429","","","","","","1.04","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015211","17.5504","0.0003","17.5504","0.0003","6.8504","0.0002","90","","90","","90","","2110.04","0.08","293","","293","","","","","","","","","5","I 4/m","-I 4","87","octakis(nitroso-acetato-palladium(II))","octakis(μ-acetato-κ^2^O:O)octakis(μ-nitroso-κ^2^N:O)octapalladium(II)","","- C16 H24 N8 O24 Pd8 -","- C16 H24 N8 O24 Pd8 -","- C32 H48 N16 O48 Pd16 -","2","0.125","SQ1216","Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I.","[Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data","Acta Crystallographica Section C","2005","61","10","m445","m447","10.1107/S0108270105027095","","","1.5418","CuKα","","","","","","","","","","1.39","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015212","10.292","0.001","10.292","0.001","8.1271","0.0008","90","","90","","120","","745.53","0.13","298","2","299","2","","","","","","","","4","P -3","-P 3","147","","tetrapotassium cobalt tetramolybdate","","- Co K4 Mo4 O15 -","- Co K4 Mo4 O15 -","- Co2 K8 Mo8 O30 -","2","0.333333","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0663","0.045","","","0.0878","0.0938","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015213","8.0804","0.0006","10.3856","0.0004","24.2048","0.0011","90","","90.728","0.005","90","","2031.1","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","hexapotassium cobalt pentamolybdate","","- Co K6 Mo5 O19 -","- Co K6 Mo5 O19 -","- Co4 K24 Mo20 O76 -","4","1","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0637","0.0439","","","0.1024","0.1142","","","","","","1.345","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015214","8.2459","0.0008","12.6631","0.0015","14.3286","0.0016","111.782","0.002","98.825","0.002","100.605","0.002","1324.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaqua[trans-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-trans- 3-(4-pyridyl)acrylato] dihydrate]","","- C24 H26 N3 O10 Sm -","- C24 H26 N3 O10 Sm -","- C48 H52 N6 O20 Sm2 -","2","1","SQ1225","Zhu, Yan-Jun; Chen, Jin-Xiang; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-<i>trans</i>-3-(4-pyridyl)acrylato] dihydrate]","Acta Crystallographica Section C","2005","61","11","m491","m493","10.1107/S0108270105031471","","","0.7107","MoKα","","0.0292","0.0267","","","0.0627","0.0641","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015215","6.4664","0.0006","6.1623","0.0005","13.0851","0.0011","90","","94.548","0.002","90","","519.77","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disilver(I) dimercury(II) tris[tetraoxotellurate(VI)]","","- Ag2 Hg2 O12 Te3 -","- Ag2 Hg2 O12 Te3 -","- Ag4 Hg4 O24 Te6 -","2","0.5","SQ1228","Weil, Matthias","Ag~2~Hg~2~(TeO~4~)~3~","Acta Crystallographica Section C","2005","61","10","i103","i105","10.1107/S0108270105028210","","","0.71073","MoKα","","0.0307","0.0239","","","0.0501","0.0515","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015216","11.5352","0.001","23.39","0.002","25.239","0.002","90","","98.423","0.002","90","","6736.2","1","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^C~2~,N]iridium(III)] dichloromethane disolvate","","- C66 H56 Cl6 Ir2 N8 O12 -","- C66 H56 Cl6 Ir2 N8 O12 -","- C264 H224 Cl24 Ir8 N32 O48 -","4","0.5","SQ1229","Chen, Lian-Qing; Yang, Chu-Luo; Qin, Jin-Gui","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^<i>C</i>~2~,<i>N</i>]iridium(III)] dichloromethane disolvate","Acta Crystallographica, Section C","2005","61","","m513","m515","10.1107/S0108270105031951","","","0.71073","MoKα","","0.0712","0.0468","","","0.11","0.1221","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015217","5.423","0.0002","16.2077","0.0009","24.0104","0.0013","90","","90","","90","","2110.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2',3'-Didehydro-2',3'-deoxythymidine","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","2","SQ1230","Mirmehrabi, Mahmoud; Rohani, Sohrab; Jennings, Michael C.","Stavudine","Acta Crystallographica Section C","2005","61","12","o695","o698","10.1107/S0108270105034591","","","0.71073","MoKα","","0.0921","0.0586","","","0.146","0.1677","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015218","13.922","0.001","9.4366","0.0006","16.799","0.001","90","","126.08","0.01","90","","1783.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[Bis(1,5-dimethyl-1H-pyrazol-3-ylmethyl)amino]phenol monohydrate","","- C18 H25 N5 O2 -","- C18 H25 N5 O2 -","- C72 H100 N20 O8 -","4","1","SQ1231","El Kodadi, Mohamed; Ramdani, Abdelkrim; Fouad, Malek; Eddike, Driss; Tillard, Monique; Belin, Claude","4-[Bis(1,5-dimethyl-1<i>H</i>-pyrazol-3-ylmethyl)amino]phenol monohydrate","Acta Crystallographica Section C","2005","61","12","o735","o737","10.1107/S010827010503461X","","","0.71073","MoKα","","0.0679","0.0492","","","0.114","0.1237","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015219","8.6245","0.0007","11.6423","0.001","13.1778","0.0011","97.658","0.003","104.134","0.003","110.821","0.003","1163.44","0.17","298","2","","","","","","","","","","5","P -1","-P 1","2","","(±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-b]pyrrole- 1,2-dicarboxylic anhydride","","- C27 H21 N O4 S -","- C27 H21 N O4 S -","- C54 H42 N2 O8 S2 -","2","1","TA1509","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Cordaro, Massimiliano; Risitano, Francesco; Grassi, Giovanni","An unusual acid: (±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-<i>b</i>]pyrrole-1,2-dicarboxylic anhydride","Acta Crystallographica Section C","2005","61","10","o610","o612","10.1107/S010827010502874X","","","0.71073","MoKα","","","0.0511","","","","0.1619","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015220","5.421","0.002","7.266","0.003","8.717","0.005","71.6","0.06","79.26","0.06","77.63","0.05","315.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","dicalcium copper tetratellurium decaoxide dichloride","","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","1","0.5","TA1512","Takagi, Rie; Johnsson, Mats","Ca~2~CuTe~4~O~10~Cl~2~, a new synthetic tellurium(IV) oxochloride","Acta Crystallographica Section C","2005","61","10","i106","i108","10.1107/S0108270105028234","","","0.71073","MoKα","","0.021","0.0182","","","0.0429","0.0439","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015221","9.2355","0.0008","9.6894","0.0008","17.1446","0.0015","75.775","0.002","80.917","0.002","81.553","0.002","1459.1","0.2","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium dihydrogen citrate trihydrate","2,3-dimethoxy-10-oxostrychnidinium dihydrogencitrate trihydrate","","- C29 H40 N2 O14 -","- C29 H40 N2 O14 -","- C58 H80 N4 O28 -","2","2","TA1515","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K","Acta Crystallographica Section C","2005","61","11","o621","o624","10.1107/S0108270105028222","","","0.71073","MoKα","","0.0481","0.0403","","","0.0729","0.0754","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015222","8.9527","0.0012","10.7737","0.0014","16.977","0.002","74.525","0.002","78.926","0.002","70.318","0.002","1476.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II)","","- C21 H42 Fe N10 O3 -","- C21 H42 Fe N10 O3 -","- C42 H84 Fe2 N20 O6 -","2","1","AV1254","Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds","Acta Crystallographica Section C","2006","62","4","m161","m162","10.1107/S0108270105035146","","","0.71073","MoKα","","0.0899","0.0575","","","0.1192","0.1261","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015223","27.066","0.002","12.4657","0.0011","21.3066","0.0019","90","","125.889","0.001","90","","5824","0.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tris(cyclohexane-1,2-diamine-κ^2^N,N')cobalt pentachloroplumbate sesquihydrate, [Co(C~6~H~14~N~2~)~3~][PbCl~5~].1.5H~2~O","","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C144 H360 Cl40 Co8 N48 O12 Pb8 -","8","1","AV1278","Kalf, Irmgard; Englert, Ulli","The first salt of an isolated pentachloroplumbate(II) trianion","Acta Crystallographica Section C","2006","62","4","m129","m131","10.1107/S010827010600429X","","","0.71073","MoKα","","0.0335","0.0263","","","0.047","0.0479","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015224","11.6191","0.001","6.1749","0.0005","12.0431","0.001","90","","113.394","0.002","90","","793.03","0.12","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","AV1281","Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang","(4<i>S</i>)-3-[(2<i>R</i>,3<i>S</i>)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one","Acta Crystallographica Section C","2006","62","4","o196","o198","10.1107/S0108270106004884","","","0.71073","MoKα","","0.1064","0.0404","","","0.0519","0.0614","","","","","","0.817","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015225","14.3475","0.0012","14.3475","0.0012","14.3475","0.0012","90","","90","","90","","2953.4","0.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate","","- C20 H22 B2 Cl6 Mg N12 -","- C20 H22 B2 Cl6 Mg N12 -","- C80 H88 B8 Cl24 Mg4 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0612","0.0597","","","0.1229","0.1236","","","","","","1.222","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015226","14.6697","0.0009","14.6697","0.0009","14.6697","0.0009","90","","90","","90","","3156.9","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate","","- C20 H22 B2 Ca Cl6 N12 -","- C20 H22 B2 Ca Cl6 N12 -","- C80 H88 B8 Ca4 Cl24 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0521","0.0514","","","0.1082","0.1085","","","","","","1.308","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015227","7.898","0.005","8.4607","0.0019","13.587","0.002","90","","90","","90","","907.9","0.6","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclopentanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.4]nonane-2,4-dithione","","- C7 H10 N2 S2 -","- C7 H10 N2 S2 -","- C28 H40 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0849","0.0509","","","0.1118","0.1257","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015228","8.6896","0.001","12.2674","0.0015","9.7864","0.001","90","","109.86","0.09","90","","981.2","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclohexanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.5]decane-2,4-dithione","","- C8 H12 N2 S2 -","- C8 H12 N2 S2 -","- C32 H48 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0428","0.0364","","","0.0971","0.1015","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015229","7.4041","0.0014","17.859","0.004","8.4491","0.0014","90","","105.848","0.019","90","","1074.8","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cycloheptanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.6]undecane-2,4-dithione","","- C9 H14 N2 S2 -","- C9 H14 N2 S2 -","- C36 H56 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.048","0.0337","","","0.0842","0.0914","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015231","6.202","0.001","9.192","0.002","19.294","0.004","90","","90","","90","","1099.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(glycine) lithium chromate monohydrate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H12 Cr Li2 N2 O9 -","- C4 H12 Cr Li2 N2 O9 -","- C16 H48 Cr4 Li8 N8 O36 -","4","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0232","0.022","","","0.0602","0.061","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015232","5.1924","0.001","7.7339","0.0015","12.492","0.003","90","","94.28","0.03","90","","500.25","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(glycine) lithium molybdate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H10 Li2 Mo N2 O8 -","- C4 H10 Li2 Mo N2 O8 -","- C8 H20 Li4 Mo2 N4 O16 -","2","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0159","0.0157","","","0.0402","0.0404","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015234","13.0444","0.0005","13.0444","0.0005","17.8599","0.0009","90","","90","","90","","3039","0.2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","","- C18 H44 Cd Fe N11 O4 -","- C18 H44 Cd Fe N11 O4 -","- C72 H176 Cd4 Fe4 N44 O16 -","4","0.5","FA3001","Miroslava Maĺarová; Juraj Černák; Werner Massa","One-dimensional structure of <i>catena</i>-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","Acta Crystallographica Section C","2006","62","4","m119","m121","10.1107/S0108270106003453","","","0.71073","MoKα","","0.0239","0.023","","","0.0626","0.0631","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015235","10.8858","0.0003","9.953","0.0002","13.3275","0.0003","90","","95.0178","0.0015","90","","1438.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^O:O':O''] trihydrate]","","- C6 H17 N O13 U -","- C6 H16 N O13 U -","- C24 H64 N4 O52 U4 -","4","1","FA3002","Grigoriev, Mikhail S.; Den Auwer, Christophe; Meyer, Daniel; Moisy, Philippe","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] trihydrate]","Acta Crystallographica Section C","2006","62","4","m163","m165","10.1107/S0108270106006949","","","0.71073","MoKα","","0.0463","0.029","","","0.0563","0.0613","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015236","3.7747","0.0002","10.8587","0.0005","11.9519","0.0006","99.626","0.003","97.726","0.003","95.515","0.003","475.07","0.04","215","2","215","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridinium 2,5-dicarboxybenzene-1,4-dicarboxylate 1.8-hydrate","","- C20 H17.6 N2 O9.8 -","- C20 H17.596 N2 O9.798 -","- C20 H17.596 N2 O9.798 -","1","0.5","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.302","neutron","","0.046","0.0362","","","0.0763","0.0805","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015237","12.009","0.001","15.484","0.001","15.221","0.001","90","","112.273","0.003","90","","2619.1","0.3","20","2","20","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate)","","- C30 H20 N2 O16 -","- C30 H20 N2 O16 -","- C120 H80 N8 O64 -","4","1","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.3108","neutron","","0.0221","0.0217","","","0.0478","0.048","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015238","9.4503","0.0006","16.8493","0.001","16.8539","0.001","90","","95.815","0.002","90","","2669.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-κ^2^O^1^,O^2^:κ^2^O^1'^,O^2'^-bis[(η^6^-p- cymene)(triphenylphosphine-κP)ruthenium(II)] bis(tetrafluoroborate)","","- C58 H58 B2 F8 O4 P2 Ru2 -","- C58 H58 B2 F8 O4 P2 Ru2 -","- C116 H116 B4 F16 O8 P4 Ru4 -","2","0.5","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.065","0.0356","","","0.0684","0.0818","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015239","7.8754","0.0005","9.0005","0.0006","13.6905","0.0009","98.647","0.002","106.062","0.002","90.165","0.002","920.92","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-p-cymene)(oxalato-κ^2^O,O')(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)","","- C19 H19 N O8 Ru -","- C19 H19 N O8 Ru -","- C38 H38 N2 O16 Ru2 -","2","1","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.0333","0.0262","","","0.0576","0.061","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015240","7.032","0.001","10.419","0.002","17.017","0.003","90","","90","","90","","1246.8","0.4","288","1","288","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,2'-isopropylidenediphenol","2,2'-Isopropylidenediphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1119","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","2,2'-Isopropylidenediphenol","Acta Crystallographica Section C","2006","62","4","o162","o164","10.1107/S0108270106004070","","","1.5418","CuKα","","0.0342","0.0252","","","0.067","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015241","8.022","0.003","13.193","0.004","14.893","0.004","69.06","0.03","81.29","0.02","80.6","0.03","1444.9","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride","","- C13 H13 Cl2 N3 O -","- C13 H13 Cl2 N3 O -","- C52 H52 Cl8 N12 O4 -","4","2","GD1429","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","<i>N</i>-Phenyl-<i>N</i>'-pyridylureas: stereochemical basis for anticonvulsant activity","Acta Crystallographica Section C","2006","62","4","o190","o192","10.1107/S0108270106005543","","","1.54178","CuKα","","0.0601","0.0428","","","0.1229","0.1344","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015242","7.788","0.002","16.596","0.003","27.986","0.003","90","","90","","90","","3617.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine","","- C43 H40 N4 O10 -","- C43 H40 N4 O10 -","- C172 H160 N16 O40 -","4","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.0715","0.0514","","","0.0927","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015243","11.527","0.002","7.669","0.0013","19.5","0.003","90","","94.832","0.014","90","","1717.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-phthaloyl-β-alaninate 5.67-hydrate","","- C34 H46.34 N3 O13.67 -","- C34 H46.34 N3 O13.67 -","- C68 H92.68 N6 O27.34 -","2","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.1504","0.0776","","","0.0935","0.1143","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015244","32.6249","0.0008","7.0657","0.0002","23.516","0.0008","90","","100.292","0.0009","90","","5333.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-methoxycarbonylphenyl)porphyrin","Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate","","- C63.42 H47.52 N5.9 O11.81 -","- C63.424 H47.52 N5.904 O11.808 -","- C253.696 H190.08 N23.616 O47.232 -","4","0.5","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.1084","0.0569","","","0.1329","0.1581","","","","","","1.016","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015245","17.4965","0.0004","18.2617","0.0002","19.0558","0.0004","90","","90","","90","","6088.6","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)","","- C57 H41 N5 O8 Zn -","- C57 H41 N5 O8 Zn -","- C228 H164 N20 O32 Zn4 -","4","1","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.0946","0.0525","","","0.1185","0.1307","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015246","8.8634","0.0004","12.639","0.0006","12.8768","0.0006","89.182","0.001","89.913","0.001","86.941","0.001","1440.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","","- C8 H28 N4 O18 P6 Zn5 -","- C8 H28 N4 O18 P6 Zn5 -","- C16 H56 N8 O36 P12 Zn10 -","2","1","GD3006","Harrison, William T. A.","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","Acta Crystallographica Section C","2006","62","4","m156","m158","10.1107/S0108270106007657","","","0.71073","MoKα","","0.0812","0.0404","","","0.0687","0.0766","","","","","","0.902","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015247","15.2414","0.0002","22.643","0.0009","8.3783","0.0005","90","","90","","90","","2891.4","0.2","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride","","- C13 H10 Cl2 N4 O4 -","- C13 H10 Cl2 N4 O4 -","- C104 H80 Cl16 N32 O32 -","8","","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0331","0.0299","","","0.0718","0.0741","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015248","7.4534","0.0002","22.1762","0.0006","8.1006","0.0002","90","","96.489","0.0016","90","","1330.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C52 H36 N20 O24 -","4","1","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0411","0.0369","","","0.0955","0.0987","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015249","7.555","0.002","11.531","0.003","26.492","0.008","90","","90","","90","","2307.9","1.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine tetrahydrate","2,3-dimethoxystrychnidin-10-one‒water (1/4)","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","1","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0592","0.0429","","","0.0792","0.0838","","","","","","0.892","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015250","23.351","0.005","12.2","0.003","16.972","0.004","90","","96.202","0.004","90","","4806.7","1.9","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 5.25-hydrate","2,3-dimethoxystrychnidin-10-one‒water (1/5.25)","","- C23 H36.5 N2 O9.25 -","- C23 H36.5 N2 O9.25 -","- C184 H292 N16 O74 -","8","2","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0753","0.0655","","","0.1659","0.1729","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015251","8.0818","0.0016","11.129","0.002","11.626","0.002","67.56","0.03","74.48","0.03","69.55","0.03","894.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","diaqua(pyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)indium(II) trihydrate, [In(C~6~H~4~NO~2~)(C~7~H~3~NO~4~)(H~2~O)~2~].3H~2~O","","- C13 H17 In N2 O11 -","- C13 H17 In N2 O11 -","- C26 H34 In2 N4 O22 -","2","1","GZ3002","Chun-Bo Liu; Guang-Bo Che; Chuan-Bi Li; Yun-Cheng Cui","An indium(III)‒water chain based on an unusual acyclic water pentamer","Acta Crystallographica Section C","2006","62","4","m153","m155","10.1107/S0108270106007189","","","0.71073","MoKα","","0.0347","0.0276","","","0.0549","0.0566","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015252","12.875","0.003","6.153","0.002","18.268","0.004","90","","106.031","0.016","90","","1390.9","0.6","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamolide-3β-ol hemihydrate","3β-Hydroxy-7-drimen-12,11-olide hemihydrate","","- C30 H46 O7 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","2","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.083","0.049","","","0.1","0.112","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015253","6.802","0.003","7.918","0.004","14.302","0.008","90","","101.22","0.02","90","","755.6","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","cinnamolide-3β-ol-acetate","3β-Acetoxy-7-drimen-12,11-olide","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.109","0.051","","","0.09","0.108","","","","","","0.982","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015254","13.874","0.002","7.531","0.001","13.615","0.002","90","","122.94","0.02","90","","1193.9","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","","- C6 H12 Ca Co O12 -","- C6 H12 Ca Co O12 -","- C24 H48 Ca4 Co4 O48 -","4","0.5","HJ1082","Djeghri Assia; Balegroune, Fadila; Guehria Laidoudi, Achoura; Toupet, Loic","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","Acta Crystallographica Section C","2006","62","4","m126","m128","10.1107/S0108270106003866","","","0.71073","MoKα","","0.0244","0.0195","","","0.0486","0.05","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015255","16.3722","0.0011","10.4506","0.0005","11.3239","0.0007","90","","99.18","0.005","90","","1912.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(3-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.068","0.053","","","0.1506","0.1597","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015256","16.9333","0.0009","10.7124","0.0006","10.5476","0.0006","90","","98.966","0.004","90","","1889.92","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(4-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0823","0.0495","","","0.1198","0.1347","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015257","16.8445","0.0015","10.7259","0.0005","11.1126","0.0009","90","","106.037","0.007","90","","1929.6","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,6-dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone","","- C18 H19 Cl2 N3 O5 -","- C18 H19 Cl2 N3 O5 -","- C72 H76 Cl8 N12 O20 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0692","0.046","","","0.1197","0.1322","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015258","11.5299","0.0008","8.0975","0.0004","10.8937","0.0008","90","","101.111","0.003","90","","998.01","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl ketone hydrazone","","- C9 H20 N2 -","- C9 H20 N2 -","- C36 H80 N8 -","4","1","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0427","0.0389","","","0.1021","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015259","29.1768","0.0016","11.6848","0.0007","14.3768","0.0006","90","","103.243","0.003","90","","4771.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-tert-butyl ketone triphenylphosphoranylidenehydrazone","","- C27 H33 N2 P -","- C27 H33 N2 P -","- C216 H264 N16 P8 -","8","2","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0662","0.0442","","","0.1075","0.1181","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015260","5.7355","0.0006","9.8374","0.0013","10.9428","0.0013","90","","97.856","0.009","90","","611.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine","","- C11 H12 F2 N4 O3 -","- C11 H12 F2 N4 O3 -","- C22 H24 F4 N8 O6 -","2","1","JZ3003","Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning","4-Amino-7-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-5-fluoro-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","4","o231","o233","10.1107/S0108270106007633","","","0.71073","MoKα","","0.0458","0.0385","","","0.0969","0.1015","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015261","10.563","0.003","23.839","0.006","7.025","0.002","90","","93.46","0.02","90","","1765.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2-Diethynylcyclohexane-1,2-diol","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0682","0.0446","","","0.0896","0.103","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015262","6.6112","0.0018","7.2474","0.0019","12.577","0.003","93.384","0.016","102.41","0.016","102.309","0.016","571.5","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-diprop-2-ynylcyclohexane-1,4-diol hydrate","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0373","0.034","","","0.0819","0.0844","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015263","13.377","0.002","6.0824","0.0008","23.834","0.003","90","","94.235","0.002","90","","1933.9","0.5","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-(5S,8S,9R,10S,13R,14R)-15-Acetoxy-15,16-dideoxy-16,17-epoxyspongian-16-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","LN3004","Blake, Alexander J.; González, Miguel A.; Gil-Gimeno, Maria J.","(‒)-(5<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>)-15,16-Dideoxy-16,17-epoxy-16-oxospongian-15-yl acetate","Acta Crystallographica Section C","2006","62","4","o208","o210","10.1107/S0108270106006366","","","0.71073","MoKα","","0.0516","0.0487","","","0.13","0.133","","","","","","0.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015264","8.36","0.01","7.292","0.008","12.95","0.005","90","","90","","90","","789.4","1.3","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Dichloro(propane-1,3-diamine-κ^2^N,N')platinum(II)","","- C3 H10 Cl2 N2 Pt -","- C3 H10 Cl2 N2 Pt -","- C12 H40 Cl8 N8 Pt4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.016","","","","0.042","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015265","8.386","0.007","7.167","0.005","12.88","0.01","90","","90","","90","","774.1","1","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","dichloro(propane-1,3-diamine-κ^2^N,N')palladium(II)","","- C3 H10 Cl2 N2 Pd -","- C3 H10 Cl2 N2 Pd -","- C12 H40 Cl8 N8 Pd4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.017","","","","0.043","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015266","8.86","0.01","8.018","0.006","12.93","0.01","90","","92.09","0.04","90","","917.9","1.4","123","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,9-diazadodecane-1,12-diamine-κ^2^N^1^,N^4^;κ^2^N^9^,N^12^- bis[dichlorodiplatinum(II)]","","- C10 H26 Cl4 N4 Pt2 -","- C10 H26 Cl4 N4 Pt2 -","- C20 H52 Cl8 N8 Pt4 -","2","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.029","","","","0.076","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015267","8.895","0.001","9.828","0.001","16.331","0.002","79.66","0.01","85.9","0.01","67.38","0.01","1296.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","","- C20 H16 Cu3 I N4 O S3 W -","- C20 H16 Cu3 I N4 O S3 W -","- C40 H32 Cu6 I2 N8 O2 S6 W2 -","2","1","OB1248","Li, Wen-Ge; Zhang, You-Cai; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","Acta Crystallographica Section C","2006","62","4","m159","m160","10.1107/S0108270106007438","","","0.71073","MoKα","","0.0413","0.0332","","","0.0766","0.0789","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015268","7.3655","0.0002","9.6851","0.0002","14.472","0.0001","93.375","0.001","99.476","0.001","102.288","0.001","990.22","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anti-2-Hydroxy-2-methyl-1-tetralone oxime","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","SF1027","Vratislav Langer; Dalma Gyepesová; Pavel Mach; Eva Scholtzová; Marta Sališová; Andrej Boháč; Boris Gášpár","<i>anti</i>-2-Hydroxy-2-methyl-1-tetralone oxime: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","4","o199","o202","10.1107/S0108270106005178","","","0.71073","MoKα","","0.1064","0.0512","","","0.0993","0.1211","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015269","7.9116","0.0007","10.487","0.001","18.2493","0.0017","86.088","0.002","79.784","0.002","70.605","0.002","1405.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","strontium ibuprofenate hydrate","poly[diaquabis[μ-2-(4-isobutylphenyl)propionato]strontium(II)]","","- C26 H38 O6 Sr -","- C26 H38 O6 Sr -","- C52 H76 O12 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.1116","0.0581","","","0.1253","0.145","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015270","14.3345","0.0009","7.3458","0.0005","11.5075","0.0007","90","","106.71","0.001","90","","1160.55","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium malonate sesquihydrate","Poly[μ-aqua-diaquadi-μ-malonato-distrontium(II)]","","- C3 H5 O5.5 Sr -","- C3 H5 O5.5 Sr -","- C24 H40 O44 Sr8 -","8","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0169","0.0158","","","0.0406","0.0413","","","","","","1.076","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2015271","6.4358","0.0005","16.104","0.0013","8.3646","0.0007","90","","107.696","0.001","90","","825.9","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Strontium diascorbate dihydrate","catena-Poly[[diaqua(ascorbato)strontium(II)]-μ-ascorbato]","","- C12 H18 O14 Sr -","- C12 H18 O14 Sr -","- C24 H36 O28 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0276","0.0253","","","0.0565","0.0573","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015272","5.0993","0.0004","22.808","0.002","6.9811","0.0006","90","","109.755","0.002","90","","764.15","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium 2-oxidobenzoate hydrate","Poly[aqua-μ-2-oxidobenzoato-strontium(II)]","","- C7 H6 O4 Sr -","- C7 H6 O4 Sr -","- C28 H24 O16 Sr4 -","4","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0475","0.0376","","","0.0878","0.092","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015273","8.0954","0.0002","11.7686","0.0006","11.0026","0.0006","90","","90","","90","","1048.23","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-bipyridinium thiocyanate","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C44 H36 N12 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0348","0.0307","","","0.0753","0.0774","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015274","7.4139","0.0005","9.3768","0.0006","12.3694","0.0005","71.681","0.003","75.722","0.003","77.391","0.003","781.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-bipyridinium picrate","","- C16 H11 N5 O7 -","- C16 H11 N5 O7 -","- C32 H22 N10 O14 -","2","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.1044","0.0604","","","0.1063","0.1222","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015275","12.8274","0.0004","4.4774","0.0002","18.2844","0.0005","90","","100.568","0.002","90","","1032.32","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-bipyridinium hydrogensulfate","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0524","0.0436","","","0.1186","0.1219","","","","","","1.262","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015276","11.8324","0.0008","7.3549","0.0005","16.6078","0.0012","90","","102.07","0.001","90","","1413.36","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","","- C14 H20 Cu O5 -","- C14 H20 Cu O5 -","- C56 H80 Cu4 O20 -","4","1","SK3003","Xu, Denise J.; Pan, Long; Emge, Thomas J.; Huang, Xiaoying; Li, Jing","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","Acta Crystallographica Section C","2006","62","4","m150","m152","10.1107/S0108270106006846","","","0.71073","MoKα","","0.023","0.0214","","","0.0578","0.0588","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015277","7.4435","0.0003","7.8829","0.0005","16.2657","0.001","99.564","0.002","96.806","0.003","90.842","0.003","933.94","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-chloronicotinoyl)-N-(3-nitrophenyl)hydrazine monohydrate","","- C18 H13 Cl2 N5 O5 -","- C18 H13 Cl2 N5 O5 -","- C36 H26 Cl4 N10 O10 -","2","1","SK3004","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis(2-chloronicotinoyl)-<i>N</i>-(3-nitrophenyl)hydrazine monohydrate: complex sheets built from O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","4","o170","o172","10.1107/S0108270106004653","","","0.71073","MoKα","","0.0829","0.05","","","0.1069","0.12","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015278","16.0851","0.0005","7.9458","0.0003","8.0003","0.0003","90","","117.309","0.002","90","","908.55","0.06","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate","","- C8 H11 N4 O0.5 -","- C8 H11 N4 O0.5 -","- C32 H44 N16 O2 -","4","1","SK3006","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2006","62","4","o186","o189","10.1107/S0108270106005373","","","0.71073","MoKα","","0.0372","0.0335","","","0.0873","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015279","11.667","0.0003","13.7746","0.0004","11.8897","0.0004","90","","105.433","0.0019","90","","1841.88","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2,7-dimethyl- 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C19 H19 Cl2 N O3 -","- C19 H19 Cl2 N O3 -","- C76 H76 Cl8 N4 O12 -","4","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0706","0.0487","","","0.1229","0.1391","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015280","9.4543","0.0005","9.7947","0.0006","13.446","0.0009","76.436","0.003","89.268","0.004","69.471","0.003","1130.23","0.12","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2-methyl- 7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate","","- C24 H23 Cl2 N O4 -","- C24 H22.758 Cl2 N O4 -","- C48 H45.516 Cl4 N2 O8 -","2","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0754","0.0533","","","0.1358","0.1498","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015281","8.9352","0.0009","6.105","0.0006","14.678","0.002","90","","96.37","0.01","90","","795.73","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Dimethylisoguanine","6-amino-1,3-dimethyl-1H-purin-2(3H)-one","","- C7 H9 N5 O -","- C7 H9 N5 O -","- C28 H36 N20 O4 -","4","1","SQ1243","Kanda Panthong; Mary J. Garson; Paul V. Bernhardt","1,3-Dimethylisoguanine","Acta Crystallographica Section C","2006","62","4","o193","o195","10.1107/S0108270106005336","","","0.71073","MoKα","","0.1217","0.0542","","","0.136","0.1662","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015282","10.7601","0.0002","11.9724","0.0002","8.9122","0.0001","90","","109.358","0.0011","90","","1083.2","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","","- C8 H15 N2 O5 P -","- C8 H15 N2 O5 P -","- C32 H60 N8 O20 P4 -","4","1","SQ3006","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","Acta Crystallographica Section C","2006","62","4","o216","o218","10.1107/S0108270106005853","","","0.71073","MoKα","","0.0303","0.0271","","","0.0681","0.0702","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015283","7.369","0.0016","8.4128","0.0018","10.716","0.002","76.124","0.004","88.754","0.004","70.758","0.004","607.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","1","0.5","AV1282","Emmanuel Ngwang Nfor; Lui Wei; Jing-Lin Zuo; Xiao-Zeng You; Offiong Efanga Offiong","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","Acta Crystallographica Section C","2006","62","5","m211","m213","10.1107/S0108270106009152","","","0.71073","MoKα","","0.069","0.0516","","","0.0862","0.091","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015284","40.703","0.006","5.097","0.0008","12.2793","0.0018","90","","103.498","0.003","90","","2477.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis[(E)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^O,O']cadmium(II)","","- C28 H24 Cd N2 O8 -","- C28 H24 Cd N2 O8 -","- C112 H96 Cd4 N8 O32 -","4","0.5","AV3003","Yao, Shu-Qin; Zhu, Miao-Li; Lu, Li-Ping; Gao, Xiao-Li","<i>cis</i>-Diaquabis[(<i>E</i>)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^<i>O</i>,<i>O</i>']cadmium(II): two-dimensional layers built from strong O—H···O hydrogen bonding in the coordination sphere","Acta Crystallographica Section C","2006","62","5","m183","m185","10.1107/S0108270106009723","","","0.71073","MoKα","","0.0721","0.0561","","","0.1195","0.1374","","","","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015285","9.2591","0.0008","18.5282","0.0013","16.7729","0.0017","90","","104.297","0.007","90","","2788.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-2^2^,4^2^-dihydroxy-1^2^,3^2^-bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H24 O4 S4 -","- C30 H24 O4 S4 -","- C120 H96 O16 S16 -","4","1","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0762","0.0479","","","0.1125","0.1241","","","","","","0.995","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015286","8.876","0.0003","17.31","0.0005","26.0798","0.001","90","","90","","90","","4007","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene acetone disolvate","","- C36 H32 N4 O14 S4 -","- C36 H32 N4 O14 S4 -","- C144 H128 N16 O56 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0387","0.0339","","","0.0815","0.084","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015287","17.2475","0.0017","20.415","0.0019","9.102","0.001","90","","90","","90","","3204.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H20 N4 O12 S4 -","- C30 H20 N4 O12 S4 -","- C120 H80 N16 O48 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.1145","0.0926","","","0.2373","0.2565","","","","","","1.104","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015288","4.1561","0.0006","19.069","0.001","6.8369","0.0005","90","","90","","90","","541.84","0.09","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Pentaerbium trinickel trialuminum tetragermanide","pentaerbium trinickel trialuminium tetragermanium","","- Al3 Er5 Ge4 Ni3 -","- Al3 Er5 Ge4 Ni3 -","- Al6 Er10 Ge8 Ni6 -","2","0.25","BC1097","Demchenko, Pavlo; Kończyk, Joanna; Demchenko, Grigorii; Gladyshevskii, Roman; Pavlyuk, Volodymyr","Er~5~Ni~3~Al~3~Ge~4~: a quaternary variant of the NbCoB type","Acta Crystallographica Section C","2006","62","5","i29","i31","10.1107/S0108270106009255","","","1.54178","CuKα","","0.0492","0.0431","","","0.1079","0.1106","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015289","4.9199","0.0018","9.959","0.004","10.859","0.004","90","","97.513","0.005","90","","527.5","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycinium oxalate (2:1)","bis(glycinium) oxalate","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C12 H24 N4 O16 -","2","0.5","BM1626","R. Chitra; Vijay Thiruvenkatam; V. D. Alur; R. R. Choudhury; E. Ramadasen; M. V. Hosur; T. N. Guru Row","Bis(glycinium) oxalate: evidence of strong hydrogen bonding","Acta Crystallographica Section C","2006","62","5","o274","o276","10.1107/S010827010600970X","","","0.71073","MoKα","","0.0388","0.0339","","","0.0868","0.0896","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015290","13.0394","0.0013","44.781","0.003","22.8023","0.0017","90","","100.051","0.008","90","","13110.3","1.9","299","2","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)","","- C42 H15 F20 Os P S4 -","- C42 H15 F20 Os P S4 -","- C504 H180 F240 Os12 P12 S48 -","12","3","BM1627","Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel","Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone","Acta Crystallographica Section C","2006","62","5","m201","m204","10.1107/S0108270106011413","","","0.71073","MoKα","","0.102","0.0552","","","0.1169","0.1435","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015291","5.7748","0.0008","11.485","0.002","13.086","0.002","113.47","0.01","100.39","0.01","97.29","0.01","763.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chloroaniline)-1,2-diphenylethanone","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C40 H32 Cl2 N2 O2 -","2","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0446","0.0372","","","0.0977","0.1007","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015292","5.823","0.0008","10.069","0.001","27.316","0.003","90","","91.75","0.01","90","","1600.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-methoxyanilino)-1,2-diphenylethanone","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0544","0.043","","","0.11","0.1194","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015293","6.5812","0.0011","10.5084","0.0013","19.216","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxy-7-propynyl-7-deazaadenosine","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","FA1183","Seela, Frank; Shaikh, Khalil I.; Budow, Simone; Eickmeier, Henning","2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside","Acta Crystallographica Section C","2006","62","5","o246","o248","10.1107/S0108270106008870","","","0.71073","MoKα","","0.0646","0.0522","","","0.1348","0.1457","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015295","9.422","0.003","5.1788","0.0017","9.388","0.003","90","","94.92","0.03","90","","456.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","distrontium dicopper(II) tellurium(VI) hexaoxide dibromide","","- Br2 Cu2 O6 Sr2 Te -","- Br2 Cu2 O6 Sr2 Te -","- Br4 Cu4 O12 Sr4 Te2 -","2","0.5","FA3009","Takagi, Rie; Johnsson, Mats","Sr~2~Cu~2~TeO~6~Br~2~: honeycomb layers of copper(II) ions","Acta Crystallographica Section C","2006","62","5","i38","i40","10.1107/S0108270106013047","","","0.71073","MoKα","","0.0974","0.0497","","","0.1109","0.1263","","","","","","0.883","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015297","12.3391","0.0002","7.178","0.0001","22.8065","0.0004","90","","90","","90","","2019.97","0.06","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epicandicandiol ethanol solvate","ent-7α,18-hydroxykaur-16-ene ethanol solvate","","- C22 H38 O3 -","- C22 H38 O3 -","- C88 H152 O12 -","4","1","FG3006","Linden, Anthony; Şahın, F. Pınar; Ezer, Nurten; Çalış, İhsan","<i>ent</i>-7α,18-Hydroxykaur-16-ene ethanol solvate","Acta Crystallographica Section C","2006","62","5","o253","o255","10.1107/S0108270106008638","","","0.71073","MoKα","","0.0577","0.0418","","","0.103","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015299","3.7965","0.0011","15.078","0.005","10.972","0.004","90","","97.082","0.006","90","","623.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-<i>trans</i>-1,2-bis(4-pyridyl)ethylene-di-μ~3~-chloro-dicopper(I)]","","- C12 H10 Cl2 Cu2 N2 -","- C12 H10 Cl2 Cu2 N2 -","- C24 H20 Cl4 Cu4 N4 -","2","0.5","FG3011","Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Hu, Ning-Hai","Poly[di-μ~3~-chloro-μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-dicopper(I)]: a two-dimensional organic‒inorganic hybrid constructed from linear CuCl clusters and bridging ligands","Acta Crystallographica Section C","2006","62","5","m205","m207","10.1107/S0108270106011814","","","0.71073","MoKα","","0.0871","0.0546","","","0.1075","0.1198","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015300","8.5826","0.0012","10.5117","0.0014","13.1078","0.0017","103.902","0.002","107.988","0.002","91.639","0.002","1085","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-sulfito-κ^4^O,O':κ^4^O',O''-[2,4,6-tris(2-pyridyl)- 1,3,5-triazine-κ^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate","","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","1","0.5","FG3013","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Di-μ~2~-sulfito-κ^8^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)cadmium(II)] octahydrate","Acta Crystallographica Section C","2006","62","5","m195","m198","10.1107/S0108270106012078","","","0.71073","MoKα","","0.0364","0.0332","","","0.0851","0.0881","","","","","","0.843","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015301","9.675","0.005","10.401","0.006","11.063","0.007","90","","110.86","0.03","90","","1040.3","1.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","18-deoxy-13β,14-dihydrolycoctam","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","FG3014","Benn, Michael; Parvez, Masood; Edwards, Oliver Edward","18-Deoxy-13β,14-dihydrolycoctam: the lycoctamone rearrangement confirmed","Acta Crystallographica Section C","2006","62","5","o283","o285","10.1107/S0108270106011620","","","0.71073","MoKα","","0.123","0.051","","","0.099","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015302","10.0301","0.0008","14.1408","0.0011","24.9919","0.0009","85.82","0.002","86.556","0.002","80.066","0.002","3478.2","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","μ-2,2'-bipyrimidine-1κ^2^N^1^,N1'^:2κ^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^O,O']terbium(III)} ethyl acetate solvate","","- C60 H38 F18 N4 O14 S6 Tb2 -","- C60 H38 F18 N4 O14 S6 Tb2 -","- C120 H76 F36 N8 O28 S12 Tb4 -","2","1","GA1121","Kirschbaum, Kristin; Fratini, Albert; Swavey, Shawn","The twinned crystal structure of μ-2,2'-bipyrimidine-1κ^2^<i>N</i>^1^,<i>N</i>^1'^:2κ^2^<i>N</i>^3^,<i>N</i>^3'^-bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']terbium(III)} ethyl acetate solvate","Acta Crystallographica Section C","2006","62","5","m186","m187","10.1107/S0108270106008389","","","0.71073","MoKα","","0.0429","0.0415","","","0.1203","0.1214","","","","","","1.177","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015303","7.55","0.005","44.57","0.07","13.791","0.008","90","","119.88","0.03","90","","4024","7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[aqua(thiosulfato-κ^2^O,S)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N,N',N'']zinc(II)] monohydrate","","- C36 H30 N12 O9 S4 Zn2 -","- C36 H30 N12 O9 S4 Zn2 -","- C144 H120 N48 O36 S16 Zn8 -","4","1","GA3004","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","Aqua(thiosulfato-κ^2^<i>O</i>,<i>S</i>)[2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]zinc(II) hemihydrate","Acta Crystallographica Section C","2006","62","5","m192","m194","10.1107/S0108270106010560","","","0.71073","MoKα","","0.1576","0.0492","","","0.0601","0.0825","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015304","17.0805","0.0018","17.0805","0.0018","9.2818","0.0015","90","","90","","90","","2707.9","0.6","298","2","298","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","trans-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole","","- C56 H48 Cd Cl2 N16 -","- C56 H48 Cd Cl2 N16 -","- C112 H96 Cd2 Cl4 N32 -","2","0.25","GD3005","Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia","<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds","Acta Crystallographica Section C","2006","62","5","m180","m182","10.1107/S0108270106008973","","","0.71073","MoKα","","0.0418","0.0364","","","0.0895","0.0924","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015305","46.263","0.002","46.263","0.002","7.203","0.0007","90","","90","","120","","13350.9","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-κO)benzoato-κO']copper(II)","","- C14 H13 Cu N O5 -","- C14 H13 Cu N O5 -","- C504 H468 Cu36 N36 O180 -","36","2","GD3011","Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li","<i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzoato-κ<i>O</i>]copper(II): tubes built from O—H···O hydrogen-bonding, π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","5","m220","m222","10.1107/S0108270106013242","","","0.71073","MoKα","","0.1059","0.0716","","","0.1458","0.1602","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015306","9.4708","0.0002","10.2139","0.0002","10.7512","0.0002","105.804","0.001","99.141","0.001","116.32","0.001","848.5","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","1-cyclohexyl-6,6,8a-trimethyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0436","0.0389","","","0.1039","0.107","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015307","7.2348","0.0002","10.1212","0.0005","11.6287","0.0006","77.031","0.002","79.285","0.003","76.872","0.003","799.89","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-phenyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0561","0.0438","","","0.1108","0.1173","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015308","7.233","0.0002","9.8165","0.0003","11.6008","0.0003","78.541","0.002","78.992","0.002","77.302","0.001","778.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-(3-pyridyl)-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.043","0.0388","","","0.1013","0.1044","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015309","14.687","0.005","9.84","0.005","6.877","0.005","90","","93.836","0.005","90","","991.6","0.9","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C28 H36 Br4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71069","MoKα","","","0.0575","","","","0.2196","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015310","14.671","0.004","9.83","0.003","6.875","0.002","90","","93.782","0.007","90","","989.3","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium iodide","","- C7 H9 I N2 O2 -","- C7 H9 I N2 O2 -","- C28 H36 I4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71073","MoKα","","","0.0701","","","","0.1865","","","","","","0.941","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015311","8.8875","0.0003","8.991","0.0003","17.6023","0.0007","90.406","0.002","92.2227","0.0019","105.032","0.002","1357.19","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13H)-one","","- C33 H34 O2 Si -","- C33 H34 O2 Si -","- C66 H68 O4 Si2 -","2","1","GG3004","Boudebous, Amar; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, M.; Schaffner, S.","A hydrogen-bonded dimer of 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13<i>H</i>)-one","Acta Crystallographica Section C","2006","62","5","o243","o245","10.1107/S0108270106008262","","","0.71073","MoKα","","0.0868","0.0465","","0.0968","0.0643","0.0643","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015312","7.0515","0.0007","9.0031","0.0012","11.237","0.002","90","","93.69","0.011","90","","711.91","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GG3008","Torre, José M. de la; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Methoxy-6-oxo-1,6-dihydropyrimidin-4-yl)formamide: hydrogen-bonded sheets of centrosymmetric <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(28) rings","Acta Crystallographica Section C","2006","62","5","o256","o258","10.1107/S0108270106008663","","","0.71073","MoKα","","0.1286","0.0511","","","0.11","0.1465","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015313","13.11","0.003","13.11","0.003","38.751","0.008","90","","90","","90","","6660","3","102","","102","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dimethylammonium hydrogen diphenyldiphosphonate","","- C28 H38 N2 O10 P4 -","- C14 H19 N O5 P2 -","- C224 H304 N16 O80 P32 -","16","1","HJ1093","Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G.","Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate","Acta Crystallographica Section C","2006","62","5","o268","o270","10.1107/S0108270106009528","","","0.71073","MoKα","","0.074","0.043","","","0.086","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015314","7.4129","0.0005","12.2875","0.0008","23.5594","0.0015","77.694","0.002","82.07","0.002","89.936","0.002","2075.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[1-(Pentafluorophenyl)ethyl]acetamide","","- C10 H8 F5 N O -","- C10 H8 F5 N O -","- C80 H64 F40 N8 O8 -","8","4","HJ3006","Guzei, Ilia A.; Gorske, Benjamin C.; Blackwell, Helen E.","<i>N</i>-[1-(Pentafluorophenyl)ethyl]acetamide","Acta Crystallographica Section C","2006","62","5","o286","o288","10.1107/S0108270106012121","","","0.71073","Mo-Kα","","0.0411","0.0308","","","0.0804","0.0892","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015315","10.741","0.002","5.567","0.001","7.497","0.001","90","","113.78","0.03","90","","410.23","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","sodium indium chromate hydrate","sodium indium(III) chromate(VI) dihydrate","","- Cr2 H4 In Na O10 -","- Cr2 H4 In Na O10 -","- Cr4 H8 In2 Na2 O20 -","2","0.25","IZ3003","Kolitsch, Uwe","NaIn(CrO~4~)~2~·2H~2~O, the first indium(III) member of the kröhnkite family","Acta Crystallographica Section C","2006","62","5","i35","i37","10.1107/S0108270106012996","","","0.71073","MoKα","","0.0292","0.0236","","","0.0571","0.0596","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015316","8.2764","0.0002","19.7124","0.0006","8.7321","0.0003","90","","115.007","0.003","90","","1291.07","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Methoxycarbonyl)phenylboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C48 H54 B6 O24 -","6","1.5","JZ3006","Lulinski, Sergiusz; Serwatowski, Janusz","2-(Methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section C","2006","62","5","o301","o303","10.1107/S0108270106012297","","","0.71073","MoKα","","0.0378","0.0325","","","0.0923","0.0941","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015317","5.185","0.001","16.668","0.003","10.458","0.002","90","","101.9","0.03","90","","884.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)","","- C14 H19 N5 O9 -","- C14 H19 N5 O9 -","- C28 H38 N10 O18 -","2","1","KP2003","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Argininamidium bis(hydrogensquarate)","Acta Crystallographica Section C","2006","62","5","o299","o300","10.1107/S0108270106012108","","","0.71073","MoKα","","0.074","0.0446","","","0.0911","0.0993","","","","","","1.008","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015318","10.338","0.002","12.012","0.002","12.065","0.002","90","","93.39","0.03","90","","1495.6","0.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","bis[3,6,9-trimethyl- 3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H- pyrano[4,3-j][1,2]benzodioxepin-10-yl] ether","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","LN1194","Yue, Zheng-Yu; Li, Shu-Hui; Gao, Po; Zhang, Jin-Hui; Yan, Peng-Fei","A dimer of α- and β-dihydroartemisinin: bis(3,6,9-trimethyl-3,12-epidioxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12<i>H</i>-pyrano[4,3-<i>j</i>][1,2]benzodioxepin-10-yl) ether","Acta Crystallographica Section C","2006","62","5","o281","o282","10.1107/S0108270106009048","","","0.71073","MoKα","","0.0675","0.0582","","","0.1493","0.1557","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015319","7.1791","0.0019","13.853","0.004","20.609","0.005","90","","94.3564","0.0009","90","","2043.7","0.9","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,4'-dipentyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C20 H28 Cl2 N2 Pt -","- C20 H28 Cl2 N2 Pt -","- C80 H112 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0667","","","","0.1801","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015320","15.102","0.008","10.781","0.006","16.525","0.01","90","","112.57","0.003","90","","2484","2","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(4,4'-diheptyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C24 H36 Cl2 N2 Pt -","- C24 H36 Cl2 N2 Pt -","- C96 H144 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0409","","","","0.1151","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015321","18.138","0.004","9.589","0.0019","14.245","0.003","90","","105.3","0.03","90","","2389.8","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trisilver(I)-di-μ~3~-N,N-diethyldithiocarbamato- 3'κ<i>S</i>:1κ<i>S</i>':2κ<i>S</i>;1κ<i>S</i>:2κ<i>S</i>':3κ<i>S</i>- μ~4~-N,N-diethyldithiocarbamato- 2κ<i>S</i>:3κ^2^<i>S</i>,<i>S</i>':1'κ<i>S</i>']","","- C15 H30 Ag3 N3 S6 -","- C15 H30 Ag3 N3 S6 -","- C60 H120 Ag12 N12 S24 -","4","0.5","OB3001","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","γ-Modification of poly[(<i>N</i>,<i>N</i>-diethyldithiocarbamato)silver(I)]","Acta Crystallographica Section C","2006","62","5","m214","m216","10.1107/S0108270106006688","","","0.71073","MoKα","","0.0405","0.0335","","","0.0763","0.0793","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015322","5.379","0.005","9.218","0.002","9.794","0.002","90","","92.28","0.04","90","","485.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholine-2,5-dione","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","OB3002","Martínez-Palau, Meritxell; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Morpholine-2,5-dione","Acta Crystallographica Section C","2006","62","5","o262","o264","10.1107/S0108270106010079","","","0.71073","MoKα","","0.0594","0.044","","","0.1187","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015323","7.5388","0.0011","8.9545","0.0013","12.1647","0.0018","80.005","0.002","85.968","0.002","83.504","0.002","802.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-ol hydrochloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ2022","Krishnan Ravikumar; Balasubramanian Sridhar","Ropinirole hydrochloride, a dopamine agonist","Acta Crystallographica Section C","2006","62","5","o265","o267","10.1107/S0108270106010535","","","0.71073","MoKα","","0.0397","0.0368","","","0.0994","0.1014","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015324","16.9402","0.0016","18.6388","0.0018","17.2684","0.0016","90","","110.679","0.007","90","","5101.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~6~-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane- 2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide pyrazine solvate","","- C47 H115 Cu8 N11 O41 Si16 -","- C47 H115 Cu8 N11 O41 Si16 -","- C94 H230 Cu16 N22 O82 Si32 -","2","0.5","SK3009","Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael","Bis(μ~6~-<i>cis</i>-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule","Acta Crystallographica Section C","2006","62","5","m199","m200","10.1107/S0108270106008924","","","0.71073","MoKα","","0.0866","0.0387","","","0.0613","0.0688","","","","","","0.743","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015325","9.6108","0.0001","9.6349","0.0001","30.6453","0.0003","90","","90","","90","","2837.73","0.05","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II)","","- C22 H43 Cl3 Fe N6 -","- C22 H43 Cl3 Fe N6 -","- C88 H172 Cl12 Fe4 N24 -","4","1","SK3010","Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt","Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II)","Acta Crystallographica Section C","2006","62","5","m217","m219","10.1107/S0108270106008778","","","0.71073","MoKα","","0.0285","0.0247","","","0.0534","0.0547","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015326","7.3497","0.0002","12.8535","0.0003","14.5334","0.0004","109.976","0.001","94.028","0.001","92.551","0.001","1283.73","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Benzyl 4-chloro-3-nitrobenzoate","","- C14 H10 Cl N O4 -","- C14 H10 Cl N O4 -","- C56 H40 Cl4 N4 O16 -","4","2","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0481","0.0379","","","0.0939","0.1002","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015327","6.1574","0.0006","7.4487","0.0006","26.341","0.003","90","","93.362","0.003","90","","1206","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 4-nitrobenzoate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0833","0.0553","","","0.1241","0.1381","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015328","7.4885","0.0007","9.5175","0.0008","16.8193","0.0013","90","","91.067","0.007","90","","1198.53","0.18","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4S,SFc)-4-(methoxymethyl)-2-[(2-dibenzo-1-thio-1H-1λ^5^- phosphol-1-yl)ferrocenyl]-1,3-dioxane","","- C28 H27 Fe O3 P S -","- C28 H27 Fe O3 P S -","- C56 H54 Fe2 O6 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0299","0.0273","","","0.0652","0.0664","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015329","7.111","0.0013","12.862","0.003","10.223","0.002","90","","96.73","0.02","90","","928.6","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(SFc)-[2-(2-dibenzo-1-thio-1H-1λ^5^-phosphol-1-yl)ferrocenyl]methanol","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C46 H38 Fe2 O2 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0288","0.0256","","","0.0596","0.0608","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015330","10.9693","0.001","11.0436","0.001","22.678","0.002","90","","90","","90","","2747.2","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane","","- C35 H28 Fe P2 -","- C35 H28 Fe P2 -","- C140 H112 Fe4 P8 -","4","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.1212","0.0573","","","0.1034","0.1255","","","","","","0.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015331","11.735","0.003","9.263","0.003","15.34","0.002","90","","106.18","0.03","90","","1601.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(o-Carboxybenzoyl)-L-leucine methyl ester","2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","2","SQ1242","Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk","<i>N</i>-(2-Carboxybenzoyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section C","2006","62","5","o237","o239","10.1107/S0108270106006767","","","0.71073","MoKα","","0.1545","0.0603","","","0.1558","0.1923","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015333","15.332","0.004","7.993","0.002","17.235","0.004","90","","104.06","0.03","90","","2048.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C96 H80 Cl8 N16 -","4","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.079","0.0568","","","0.1346","0.1454","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015334","8.915","0.005","8.095","0.004","10.572","0.006","90","","116","0.02","90","","685.7","0.7","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[diamminehexa-μ-cyano-dicopper(I)copper(II)mercury(II)]","","- C6 H6 Cu3 Hg N8 -","- C6 H6 Cu3 Hg N8 -","- C12 H12 Cu6 Hg2 N16 -","2","0.25","SQ3012","Nishikiori, Shin-ichi; Sekiya, Ryo; Hosoya, Kazumasa","Cu~3~(CN)~4~(NH~3~)~2~Hg(CN)~2~: a novel interpenetrating framework formed from Cu^I^, Cu^II^, Hg^II^ and cyanide bridges","Acta Crystallographica Section C","2006","62","5","i32","i34","10.1107/S0108270106011711","","","0.71075","MoKα","","0.0301","0.0301","","","0.0853","0.0853","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015335","10.4178","0.0002","10.6996","0.0002","24.6636","0.0005","90","","90","","90","","2749.16","0.09","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-Thr(OBn)-Aib-N(Me)Ph","O-benzyl-N-(benzyloxycarbonyl)threonyl-2,N-dimethylalaninanilide","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0497","0.0374","","","0.0831","0.0897","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015336","6.2705","0.0001","9.7577","0.0002","13.2491","0.0003","106.648","0.0013","94.2733","0.001","105.726","0.0012","737.36","0.03","160","1","160","1","","","","","","","","4","P 1","P 1","1","Z-Val-Aib-Hyp(OBn)-OMe","methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate","","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","1","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0415","0.0358","","","0.0809","0.0852","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015337","5.0977","0.001","11.444","0.002","12.183","0.002","90","","95.58","0.03","90","","707.4","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]","","- C10 H16 Mn O9 S -","- C10 H16 Mn O9 S -","- C20 H32 Mn2 O18 S2 -","2","1","TY1014","Hong Su; Yun-Long Feng; Yi-Hang Wen","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section C","2006","62","5","m208","m210","10.1107/S010827010601184X","","","0.71073","MoKα","","0.0271","0.025","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015338","10.5886","0.0015","14.0238","0.0019","17.135","0.002","90","","106.838","0.002","90","","2435.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~glutarato-κ^3^O:O':O'')(μ~2~-1,3-di-4-pyridylpropane- κ^2^N:N')dizinc(II)]","","- C23 H26 N2 O8 Zn2 -","- C23 H26 N2 O8 Zn2 -","- C92 H104 N8 O32 Zn8 -","4","0.5","AV3006","Zhang, Qi-Wei; Wen, Yi-Hang; Feng, Yun-Long","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~3~-glutarato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dizinc(II)]","Acta Crystallographica Section C","2006","62","6","m255","m257","10.1107/S0108270106016726","","","0.71073","MoKα","","","0.0487","","","0.1122","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015339","16.0038","0.0017","5.8679","0.0007","15.9529","0.0018","90","","104.235","0.008","90","","1452.1","0.3","93","1","","","","","","","","","","4","C 1 2 1","C 2y","5","3-methyl-2-benzothiazolinone azine","(1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","AV3007","Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","Acta Crystallographica Section C","2006","62","6","o331","o332","10.1107/S0108270106014223","","","1.54187","CuKα","","","0.0331","","","","0.0939","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015340","8.999","0.005","11.735","0.007","12.393","0.007","90","","98.799","0.012","90","","1293.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic‒4,4'-bipyridine (2/1)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","AV3011","Lou, Ben-Yong; Huang, Xiao-Dong; Lin, Xiang-Chao","The cocrystal of 3-hydroxy-2-naphthoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","6","o310","o311","10.1107/S0108270106013461","","","0.71073","MoKα","","0.0912","0.0542","","","0.1342","0.1581","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015341","13.9736","0.0017","7.5445","0.0009","13.1729","0.0015","90","","119.788","0.002","90","","1205.2","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~]","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","","- C6 H12 Ca O12 Zn -","- C6 H12 Ca O12 Zn -","- C24 H48 Ca4 O48 Zn4 -","4","0.5","AV3015","Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","6","m258","m260","10.1107/S0108270106014582","","","0.71073","MoKα","","0.0238","0.0224","","","0.0589","0.0601","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015342","34.364","0.009","7.045","0.002","6.1736","0.0017","90","","91.349","0.004","90","","1494.2","0.7","289","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","diammonium trimagnesium hydrogenophosphite hexahydrate","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","","- H48 Mg3 N2 O30 P4 -","- H48 Mg3 N2 O30 P4 -","- H96 Mg6 N4 O60 P8 -","2","0.25","BC1091","Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","Acta Crystallographica Section C","2006","62","6","i43","i45","10.1107/S0108270106008882","","","0.71073","MoKα","","","0.033","","","","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015343","21.3281","0.0007","21.3281","0.0007","4.1993","0.0003","90","","90","","120","","1654.29","0.14","293","","293","","","","","","","","","3","P -6","P -6","174","barium fluoride chloride","heptabarium dodecafluoride dichloride","","- Ba4.6667 Cl1.3333 F8 -","- Ba4.66667 Cl1.33333 F8 -","- Ba28 Cl8 F48 -","6","1","BC1095","Bernsteiner, Anita; Kubel, Frank","A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~","Acta Crystallographica Section C","2006","62","6","i41","i42","10.1107/S010827010601273X","","","0.71073","MoKα","","0.0652","0.0375","","","","0.0309","","","2.382","","","2.3821","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015344","8.353","0.003","12.357","0.004","12.934","0.004","90","","103.916","0.005","90","","1295.8","0.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)","","- C18 H38 Co Cu N3 O12 Zn -","- C18 H38 Co Cu N3 O12 Zn -","- C36 H76 Co2 Cu2 N6 O24 Zn2 -","2","1","BG1028","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.","A heterotrimetallic Cu‒Co‒Zn complex with the 2,2'-iminodiethanol ligand","Acta Crystallographica Section C","2006","62","6","m246","m248","10.1107/S010827010601523X","","","0.71073","MoKα","","0.09","0.065","","0.118","","0.092","","","1.331","","","1.178","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015345","13.3025","0.0012","6.169","0.0006","23.026","0.002","90","","98.69","0.01","90","","1867.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ferrocene‒decafluorobiphenyl (1/1)","","- C22 H10 F10 Fe -","- C22 H10 F10 Fe -","- C88 H40 F40 Fe4 -","4","0.5","BG3003","Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.","Arene‒perfluoroarene interactions in crystal engineering. XV. Ferrocene‒decafluorobiphenyl (1/1)","Acta Crystallographica Section C","2006","62","6","m229","m231","10.1107/S0108270106014090","","","0.71073","MoKα","","0.0536","0.0389","","","0.0911","0.0978","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015347","7.4592","0.0017","10.251","0.002","11.624","0.003","78.603","0.005","85.529","0.007","83.151","0.008","863.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[{Cu(phen)}~2~(tp)Mo~4~O~13~]~n~","poly[di-μ~3~-oxo-hepta-μ~2~oxo-tetraoxobis(1,10-phenanthroline)-μ~4~- terephthalato-dicopper(II)tetramolybdate(VI)","","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","1","0.5","DN3010","Xiao-Yuan Wu; Quan-Guo Zhai; Li-Juan Chen; Can-Zhong Lu","An extended two-dimensional copper‒molybdate compound with mixed dicarboxyl and organodiamine ligands","Acta Crystallographica Section C","2006","62","6","m261","m263","10.1107/S0108270106013412","","","0.71073","MoKα","","0.0227","0.0198","","","0.0533","0.0543","","","","","","1.019","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2015348","4.06048","0.00006","4.06048","","4.06048","","89.8693","0.0004","89.8693","","89.8693","","66.9466","0.001","4.2","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.611 O3 Pb Zn0.389 -","- Nb0.611 O3 Pb Zn0.389 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","2.48","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015349","4.0624","0.00008","4.0624","","4.0624","","89.9226","0.0005","89.9226","","89.9226","","67.042","0.0013","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015350","16.727","0.001","14.152","0.001","8.718","0.001","90","","90.79","0.01","90","","2063.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","mammeigin","5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","1","FA3017","Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.","Mammeigin","Acta Crystallographica Section C","2006","62","6","o350","o352","10.1107/S0108270106017409","","","0.71073","MoKα","","","0.0436","","","","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015351","11.6451","0.0004","14.7287","0.0006","14.2679","0.0006","90","","108.09","0.001","90","","2326.23","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Nitrato-κ^2^O,O')bis(triethanolamine-κ^4^N,O,O',O'')lanthanum(III) dinitrate","","- C12 H30 La N5 O15 -","- C12 H30 La N5 O15 -","- C48 H120 La4 N20 O60 -","4","0.5","FG3009","Fowkes, Adrian; Harrison, William T. A.","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')lanthanum(III) dinitrate","Acta Crystallographica Section C","2006","62","6","m232","m233","10.1107/S0108270106011826","","","0.71073","MoKα","","0.0329","0.0276","","","0.0719","0.074","","","","","","1.058","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2015352","12.4256","0.0014","12.5254","0.0015","12.6935","0.0015","79.465","0.003","89.731","0.003","89.361","0.002","1942.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) dibromide","","- C13 H32 Br2 N6 -","- C13 H32 Br2 N6 -","- C52 H128 Br8 N24 -","4","2","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0942","0.0578","","","0.1285","0.1388","","","","","","0.987","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015353","17.577","0.0008","9.3797","0.0004","22.4953","0.001","90","","107.034","0.001","90","","3546","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetraphenylborate chloride","","- C37 H52 B Cl N6 -","- C37 H52 B Cl N6 -","- C148 H208 B4 Cl4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.1231","0.0439","","","0.0603","0.0722","","","","","","0.909","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015354","8.3199","0.0004","18.0809","0.0009","15.8086","0.0008","90","","104.291","0.001","90","","2304.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetrachloromercurate","","- C13 H32 Cl4 Hg N6 -","- C13 H32 Cl4 Hg N6 -","- C52 H128 Cl16 Hg4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0322","0.0281","","","0.0843","0.0867","","","","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015355","8.8771","0.0007","12.3802","0.001","12.5704","0.001","108.939","0.002","91.478","0.002","97.775","0.002","1291.1","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate)","","- C15 H32 F6 N6 O6 S2 -","- C15 H32 F6 N6 O6 S2 -","- C30 H64 F12 N12 O12 S4 -","2","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0535","0.0456","","","0.1146","0.1206","","","","","","1.03","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015356","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.6","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-phenylalanyl-L-tryptophan 0.75-hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","FG3015","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-tryptophan 0.75-hydrate","Acta Crystallographica Section C","2006","62","6","o328","o330","10.1107/S0108270106014491","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015357","23.988","0.005","8.754","0.005","37.986","0.005","90","","95.718","0.005","90","","7937","5","173","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Octakis(3-propylammonium) octadecaiodopentaplumbate(II)","","- C24 H80 I18 N8 Pb5 -","- C24 H80 I18 N8 Pb5 -","- C96 H320 I72 N32 Pb20 -","4","1","FG3016","Billing, David G.; Lemmerer, Andreas","Octakis(3-propylammonium) octadecaiodopentaplumbate(II): a new layered stucture based on layered perovskites","Acta Crystallographica Section C","2006","62","6","m238","m240","10.1107/S0108270106014417","","","0.71069","MoKα","","","0.0448","","","","0.108","","","","","","0.997","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015358","8.0388","0.0001","6.1476","0.0001","15.839","0.0001","90","","92.923","0.001","90","","781.734","0.017","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1-thyminyl)acetamide","(1-thyminyl)acetamide(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)acetamide","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","GD3012","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Molecular packing in (5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide","Acta Crystallographica Section C","2006","62","6","o344","o345","10.1107/S0108270106015460","","","0.71073","MoKα","","0.0367","0.0363","","","0.0939","0.0942","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015359","6.889","0.002","9.684","0.003","12.719","0.004","90","","90","","90","","848.5","0.4","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis(1-methyl-1H-tetrazol-5-yl)diazene","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0349","0.0308","","","0.087","0.0919","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015361","8.528","0.002","6.2456","0.0013","10.059","0.002","90","","105.462","0.019","90","","516.4","0.2","292","2","292","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]]","","- C4 H6 Cl Cu N10 -","- C4 H6 Cl Cu N10 -","- C8 H12 Cl2 Cu2 N20 -","2","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0579","0.0457","","","0.1174","0.127","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015362","6.6567","0.0002","9.1317","0.0003","10.8486","0.0003","99.2298","0.0016","98.278","0.002","99.5405","0.0019","631.98","0.03","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","rac-3-hydroxy-N-[1-methyl-1-(N-methyl-N-phenylcarbamoyl)ethyl]- 2-phenylpropanamide","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.078","0.0519","","","0.1206","0.1387","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015363","10.1934","0.0002","9.9466","0.0002","11.9331","0.0003","90","","103.392","0.0009","90","","1177","0.04","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0597","0.042","","","0.0974","0.1078","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015364","15.9437","0.0002","19.1979","0.0004","11.2587","0.0002","90","","132.918","0.0007","90","","2523.69","0.08","160","1","160","1","","","","","","","","4","C 1 c 1","C -2yc","9","","(6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0496","0.0384","","","0.0907","0.0968","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015365","9.7917","0.001","7.9649","0.0008","15.0594","0.0016","90","","107.985","0.003","90","","1117.1","0.2","173","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis(tert-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","","- C8 H28 I4 N2 O2 Pb -","- C8 H28 I4 N2 O2 Pb -","- C16 H56 I8 N4 O4 Pb2 -","2","0.5","GD3019","Billing, David G.; Lemmerer, A.","<i>catena</i>-Poly[bis(<i>tert</i>-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","Acta Crystallographica Section C","2006","62","6","m264","m266","10.1107/S0108270106016167","","","0.71073","MoKα","","","0.0392","","","","0.1007","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015366","10.9366","0.0001","8.0785","0.0001","22.0995","0.0002","90","","103.324","0.001","90","","1899.96","0.03","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-di-O-p-toluoyltartrate methanol disolvate monohydrate","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate methanol disolvate monohydrate","","- C38 H50 N2 O11 -","- C38 H50 N2 O11 -","- C76 H100 N4 O22 -","2","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0381","0.0361","","","0.0938","0.0952","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015367","6.8805","0.0001","19.2606","0.0001","25.5545","0.0002","90","","90","","90","","3386.55","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate","","- C34 H40 N2 O10 -","- C34 H40 N2 O10 -","- C136 H160 N8 O40 -","4","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0375","0.034","","","0.0817","0.0836","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015368","11.2499","0.0002","11.8622","0.0003","18.232","0.0005","90","","107.875","0.0015","90","","2315.59","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.0666","0.0454","","","0.1015","0.1126","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015369","9.9503","0.0004","11.8623","0.0006","18.5654","0.0008","77.92","0.002","84.699","0.003","85.731","0.002","2130.23","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2RS,3SR,5RS,6SR)-3,5-dimethyl-N-phenylacetyl-2,6-diphenyl-4-piperidinone","","- C27 H27 N O2 -","- C27 H27 N O2 -","- C108 H108 N4 O8 -","4","2","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.1399","0.0879","","","0.2276","0.2616","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015370","16.4251","0.0007","10.2676","0.0005","16.355","0.0007","90","","90","","90","","2758.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)","(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)","","- C12 H48 B6 O7 U2 -","- C12 H48 B6 O7 U2 -","- C48 H192 B24 O28 U8 -","4","1","GG3015","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex","Acta Crystallographica Section C","2006","62","6","m243","m245","10.1107/S0108270106014934","","","0.71073","MoKα","","0.0368","0.0293","","","0.057","0.059","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015371","6.0931","0.0002","10.2759","0.0003","15.2973","0.0005","90","","92.148","0.001","90","","957.12","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one‒terephthalic acid","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","0.5","GZ3009","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","Hydrogen-bonded 1:1 adduct of 1,1'-(<i>p</i>-phenylene)dipyridin-4(1<i>H</i>)-one with terephthalic acid","Acta Crystallographica Section C","2006","62","6","o336","o338","10.1107/S0108270106015174","","","0.71073","MoKα","","0.048","0.041","","","0.116","0.121","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015372","9.2915","0.001","9.4337","0.0009","16.9287","0.0017","76.401","0.002","88.716","0.002","82.104","0.002","1428.5","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium hydrogen L-malate pentahydrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate","","- C27 H42 N2 O14 -","- C27 H42 N2 O14 -","- C54 H84 N4 O28 -","2","2","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0414","0.0357","","","0.0698","0.0724","","","","","","0.898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015373","12.2719","0.0007","13.5151","0.0008","14.3814","0.0009","90","","90","","90","","2385.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium hydrogen L-tartrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen 2(R),3(R)-tartrate","","- C27 H32 N2 O10 -","- C27 H32 N2 O10 -","- C108 H128 N8 O40 -","4","1","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0499","0.0395","","","0.0686","0.0709","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015374","10.3364","0.0003","21.9437","0.0009","12.6549","0.0004","90","","93.517","0.003","90","","2864.96","0.17","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","","- C32 H31 Br F5 N2 Rh -","- C32 H31 Br F5 N2 Rh -","- C128 H124 Br4 F20 N8 Rh4 -","4","1","GZ3014","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","Acta Crystallographica Section C","2006","62","6","m252","m254","10.1107/S0108270106016052","","","0.71073","MoKα","","0.0409","0.034","","","0.0911","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015375","7.379","0.003","17.139","0.004","10.788","0.003","90","","105.6","0.02","90","","1314.1","0.7","291","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium isatin-3-semicarbazone-5-sulfonate","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1H-indole-5-sulfonate dihydrate","","- C9 H11 N4 Na O7 S -","- C9 H7 N4 Na O7 S -","- C36 H28 N16 Na4 O28 S4 -","4","1","HJ3004","Pelosi, G.; Belicchi Ferrari, M.; Rodríguez-Argüelles, M. C.; Mosquera-Vázquez, S.; Sanmartín, J.","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1<i>H</i>-indole-5-sulfonate dihydrate","Acta Crystallographica Section C","2006","62","6","m241","m242","10.1107/S0108270106011590","","","0.71069","MoKα","","0.1721","0.0566","","","0.0874","0.1117","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015376","3.7889","0.0009","15.58","0.004","10.759","0.003","90","","93.73","0.03","90","","633.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Formylbenzonitrile","","- C8 H5 N O -","- C8 H5 N O -","- C32 H20 N4 O4 -","4","1","JZ3013","Britton, Doyle; Cramer, Christopher J.","2-Formylbenzonitrile","Acta Crystallographica Section C","2006","62","6","o307","o309","10.1107/S0108270106013138","","","0.71073","MoKα","","0.051","0.042","","","0.095","0.101","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015377","13.094","0.005","7.84","0.003","18.854","0.005","90","","126.182","0.018","90","","1562.2","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Glycylglycinato-κ^3^O,N,N')(2-methyl-1H-benzimidazole-κN^3^)copper(II) trihydrate","","- C12 H20 Cu N4 O6 -","- C12 H20 Cu N4 O6 -","- C48 H80 Cu4 N16 O24 -","4","1","OB3003","Li, Li; Zhu, Miao-Li; Lu, Li-Ping","(Glycylglycinato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) trihydrate","Acta Crystallographica Section C","2006","62","6","m227","m228","10.1107/S0108270106014132","","","0.71073","MoKα","","0.0684","0.0599","","","0.1231","0.1268","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015378","12.0141","0.0004","12.3388","0.0005","15.6913","0.0006","90","","90","","90","","2326.07","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound II","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0436","0.0374","","","0.0953","0.0992","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015379","10.5916","0.0014","11.3683","0.0015","17.747","0.002","90","","90","","90","","2136.9","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound III","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C24 H32 B N O2 -","- C24 H32 B N O2 -","- C96 H128 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0351","0.0304","","","0.0772","0.0812","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015380","9.8152","0.0004","22.6374","0.0009","10.0469","0.0004","90","","90.449","0.002","90","","2232.26","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound IV","(2<i>Z</i>)-2-buten-2-yl-6-isobutyl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","2","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0418","0.0347","","","0.0896","0.0946","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015381","9.3814","0.0001","9.7427","0.0001","15.51","0.001","90","","103.487","0.001","90","","1378.52","0.09","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","","- C12 H13 Cu N3 O6 -","- C12 H13 Cu N3 O6 -","- C48 H52 Cu4 N12 O24 -","4","1","SF3005","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","Acta Crystallographica Section C","2006","62","6","m267","m268","10.1107/S0108270106016398","","","0.71073","MoKα","","0.028","0.0237","","","0.0673","0.0689","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015382","7.8647","0.0018","11.776","0.003","15.904","0.004","70.095","0.003","87.137","0.004","78.855","0.004","1358.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, hydrazine","hydrazinium saccharinate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C42 H54 N18 O18 S6 -","6","3","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0811","0.0523","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015383","7.1684","0.0019","9.964","0.003","13.185","0.004","84.557","0.004","86.387","0.004","76.149","0.004","909.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, ethylenedimaine","ethylenediaminium bis(saccharinate)","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0824","0.0519","","","0.117","0.1303","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015384","9.0016","0.0011","11.2539","0.0013","10.0269","0.0012","90","","109.196","0.001","90","","959.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","saccharin, 1,4-butyldiamine","butane-1,4-diaminium bis(saccharinate)","","- C18 H22 N4 O6 S2 -","- C18 H22 N4 O6 S2 -","- C36 H44 N8 O12 S4 -","2","0.5","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0328","0.0315","","","0.0816","0.083","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015385","6.9336","0.0012","11.998","0.002","9.4691","0.0016","90","","107.365","0.002","90","","751.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Desloratadine","8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C38 H38 Cl2 N4 -","2","1","SK3005","Prashant M. Bhatt; Gautam R. Desiraju","Form I of desloratadine, a tricyclic antihistamine","Acta Crystallographica Section C","2006","62","6","o362","o363","10.1107/S0108270106012571","","","0.71073","MoKα","","0.0334","0.032","","","0.0744","0.0754","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015386","7.2865","0.0003","8.2885","0.0004","8.4596","0.0003","78.328","0.002","86.105","0.002","66.388","0.002","458.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-hydroxyquinolinium chloride monohydrate","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C18 H20 Cl2 N2 O4 -","2","1","SK3016","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Formation of ladders from <i>R</i>~4~^4^(8) and <i>R</i>~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts","Acta Crystallographica Section C","2006","62","6","o312","o314","10.1107/S0108270106013473","","","0.71073","MoKα","","0.04","0.0326","","","0.0814","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015387","4.7917","0.0002","11.5905","0.0006","14.0496","0.0005","90","","98.372","0.003","90","","771.97","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","SK3017","Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Dinitrophenylhydrazine, redetermined at 120K: a three-dimensional framework built from N—H···O, N—H···(O)~2~, N—H···π(arene) and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","6","o318","o320","10.1107/S0108270106013114","","","0.71073","MoKα","","0.098","0.0523","","","0.1226","0.1432","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015388","9.3617","0.0006","11.093","0.0005","7.6482","0.0004","90","","101.146","0.002","90","","779.28","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodoisatin","5-iodo-1H-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0235","0.0201","","","0.0495","0.0509","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015389","5.1704","0.0002","15.5609","0.0011","10.578","0.0007","90","","102.713","0.004","90","","830.2","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-trifluoromethylisatin","7-trifluoromethyl-1H-indole-2,3-dione","","- C9 H4 F3 N O2 -","- C9 H4 F3 N O2 -","- C36 H16 F12 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0637","0.0409","","","0.095","0.1054","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015390","8.528","0.0012","8.861","0.0014","11.734","0.0016","100.992","0.01","93.118","0.015","110.524","0.009","808.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C38 H36 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0853","0.0517","","","0.1238","0.1515","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015391","17.7659","0.0006","8.573","0.0002","11.3982","0.0003","90","","101.094","0.002","90","","1703.58","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0783","0.0533","","","0.1341","0.1526","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015392","7.6778","0.0002","8.1298","0.0003","16.6417","0.0005","89.08","0.002","85.123","0.002","72.49","0.002","986.99","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-8,8-dimethyl-5-phenyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C24 H20 Cl N3 O -","- C24 H20 Cl N3 O -","- C48 H40 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0928","0.0486","","","0.1132","0.1339","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015393","5.819","0.0007","10.464","0.0013","13.847","0.002","78.447","0.012","79.647","0.009","84.882","0.012","811.37","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-8,8-dimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one monohydrate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C38 H42 N6 O4 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.1809","0.0685","","","0.1589","0.2227","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015394","7.8714","0.0002","6.1236","0.0002","10.5424","0.0003","90","","90","","90","","508.16","0.03","290","1","290","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dirubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0209","0.0179","","","0.0292","0.0303","","","","","","1.21","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015395","7.8403","0.0002","6.1034","0.0002","10.4813","0.0003","90","","90","","90","","501.56","0.03","130","1","130","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-rubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0223","0.0205","","","0.0322","0.0332","","","","","","1.39","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015396","8.308","0.002","6.3812","0.0009","11.036","0.002","90","","90","","90","","585.07","0.19","240","1","240","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0264","0.0221","","","0.0354","0.0368","","","","","","1.48","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015397","8.2821","0.0008","6.3577","0.0006","10.9827","0.0008","90","","90","","90","","578.3","0.09","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0191","0.0165","","","0.0334","0.0356","","","","","","1.52","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015398","7.918","0.002","10.89","0.001","27.087","0.007","90","","95.72","0.02","90","","2324","0.9","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] N-(4-methylphenyl)-N-(3-nitrobenzoyl)thiocarbamate","","- C25 H19 N3 O6 S -","- C25 H19 N3 O6 S -","- C100 H76 N12 O24 S4 -","4","1","TR1130","Angelo Mugnoli; Alberto Borassi; Andrea Spallarossa; Sara Cesarini","A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular π‒π interactions","Acta Crystallographica Section C","2006","62","6","o315","o317","10.1107/S0108270106013175","","","0.7107","MoKα","","0.1194","0.055","","","0.1106","0.127","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015399","11.974","0.003","12.531","0.002","20.827","0.007","89.81","0.02","73.56","0.02","68.26","0.02","2765.9","1.4","293","2","","","","","","","","","","7","P -1","-P 1","2","","[4-(2-diphenylphosphino-α-ethoxybenzyl-κP)-S-methyl-1-(4-oxo-2- pentyl-κO)thiosemicarbazido-κ^2^N^1^,N^4^]nickel(II)","","- C28 H30 N3 Ni O2 P S -","- C28 H30 N3 Ni O2 P S -","- C112 H120 N12 Ni4 O8 P4 S4 -","4","2","AV3009","Drašković, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija D.; Poleti, Dejan","Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-Diphenylphosphino-α-ethoxybenzyl-κ<i>P</i>)-<i>S</i>-methyl-1-(4-oxidopent-3-en-4-ylidene-κ<i>O</i>)thiosemicarbazido-κ^2^<i>N</i>^1^,<i>N</i>^4^]nickel(II)","Acta Crystallographica Section C","2006","62","7","m319","m322","10.1107/S0108270106018932","","","0.71073","MoKα","","","0.0436","","","","0.1169","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015400","11.106","0.003","16.5606","0.0016","12.0351","0.0018","90","","111.463","0.012","90","","2060","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Piroxicam Benzoate","4-Benzoyloxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","AV3014","Tatiana N. Drebushchak; Natalia N. Pankrushina; Tatiana P. Shakhtshneider; Svetlana A. Apenina","4-Benzoyloxy-2-methyl-<i>N</i>-(2-pyridyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide","Acta Crystallographica Section C","2006","62","7","o429","o431","10.1107/S0108270106020567","","","0.71073","MoKα","","0.1366","0.0618","","","0.1084","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015401","18.862","0.002","10.5138","0.0011","19.081","0.002","90","","109.154","0.002","90","","3574.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-biphenyl-4,4'-diaminium bis(4'-amino-1,1'-biphenyl-4-aminium) tetrakis(2-carboxy-4,6-dinitrophenolate) ethanol disolvate","","- C68 H64 N14 O30 -","- C68 H64 N14 O30 -","- C136 H128 N28 O60 -","2","0.5","AV3018","Graham Smith; Urs D. Wermuth; Jonathan M. White","Mixed dicationic and monocationic benzidine species in the proton-transfer compound of benzidine with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2006","62","7","o402","o404","10.1107/S010827010601821X","","","0.71073","MoKα","","0.1574","0.0493","","","0.0762","0.0976","","","","","","0.867","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015402","9.409","0.002","9.409","0.002","9.409","0.002","90","","90","","90","","833","0.3","200","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hexafluoroiodium(VII) hexafluoroarsenate","","","- As F12 I -","- As F12 I -","- As4 F48 I4 -","4","0.166667","BC3005","Evgeny Goreshnik; Zoran Mazej","Hexafluoroiodium(VII) hexafluoroarsenate","Acta Crystallographica Section C","2006","62","7","i59","i60","10.1107/S0108270106017719","","","0.71069","MoKα","","0.0423","0.0213","","","0.0523","0.0629","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015403","10.951","0.003","8.998","0.001","12.803","0.005","90","","128.94","0.02","90","","981.3","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium gadolinium polyphosphate","ammonium gadolinium tetrakis(phosphate)","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","1","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0304","0.0239","","","0.0532","0.0556","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015404","7.865","0.001","12.599","0.002","10.535","0.001","90","","110.83","0.01","90","","975.7","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium gadolinium cyclotetraphosphate","ammonium gadolinium cyclotetraphosphate","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","0.5","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0174","0.017","","","0.044","0.0442","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015405","12.394","0.003","14.823","0.003","14.924","0.003","97.707","0.006","113.562","0.005","112.86","0.005","2175.6","0.8","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-phenyl-1H-imidazolium hexa-μ~2~-chloro-chloro-μ~4~-oxo-tris(4-phenyl-1H-imidazole- κN^1^)tetracopper(II) monohydrate","","- C36 H35 Cl7 Cu4 N8 O2 -","- C36 H33 Cl7 Cu4 N8 O2 -","- C72 H66 Cl14 Cu8 N16 O4 -","2","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.099","0.0503","","","0.0577","0.0667","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015406","11.638","0.003","16.237","0.004","17.139","0.004","106.249","0.005","102.401","0.006","94.255","0.005","3005.5","1.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-chloro-chloro-μ~4~-oxo-tetrakis(pyridine N-oxide- κO)tetracopper(II) 0.2-hydrate","","- C20 H20 Cl6 Cu4 N4 O5 -","- C20 H20 Cl6 Cu4 N4 O5 -","- C80 H80 Cl24 Cu16 N16 O20 -","4","2","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.1545","0.0678","","","0.0773","0.0947","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015407","10.2454","0.0013","17.826","0.002","19.557","0.002","90","","94.877","0.002","90","","3558.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-chloro-chlorotetrakis(2-methyl-1H-imidazole- κN^1^)-μ~4~-oxo-tetracopper(II) methanol tetrasolvate, [Cu~4~Cl~6~O(C~4~H~6~N~2~)~4~].3CH~4~O","","- C19 H36 Cl6 Cu4 N8 O4 -","- C19 H36 Cl6 Cu4 N8 O4 -","- C76 H144 Cl24 Cu16 N32 O16 -","4","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.0695","0.0468","","","0.0986","0.1066","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015408","11.9697","0.0013","18.18","0.002","4.4626","0.0005","90","","90","","90","","971.1","0.19","295","1","295","1","","","","","","","","4","P b a m","-P 2 2ab","55","cadaverinium dichloride","Pentane-1,5-diammonium dichloride","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C20 H64 Cl8 N8 -","4","0.5","DN3013","Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej","Cadaverinium dichloride: a case of centro‒non-centrosymmetric ambiguity","Acta Crystallographica Section C","2006","62","7","o399","o401","10.1107/S0108270106018397","","","0.71073","MoKα","","0.0501","0.0368","","","0.1","0.1086","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015409","8.094","0.002","8.522","0.003","12.847","0.005","87.2","0.02","85.7","0.01","65.92","0.02","806.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyridoxinium picrate","3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium 2,4,6-trinitrophenolate","","- C14 H14 N4 O10 -","- C14 H14 N4 O10 -","- C28 H28 N8 O20 -","2","1","DN3016","K. Anitha; S. Athimoolam; S. Natarajan","Pyridoxinium picrate","Acta Crystallographica Section C","2006","62","7","o426","o428","10.1107/S0108270106018373","","","0.71073","MoKα","","0.0596","0.0434","","","0.1192","0.1302","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015410","8.193","0.0015","12.442","0.002","12.584","0.003","109.846","0.005","99.918","0.005","98.33","0.015","1159.6","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","o-phenylenebis(diphenylphosphine)","1,2-bis(diphenylphosphino)benzene","","- C30 H24 P2 -","- C30 H24 P2 -","- C60 H48 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.1566","0.0563","","","0.1017","0.1319","","","","","","0.925","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015411","10.3323","0.0005","11.8412","0.001","12.7828","0.001","69.536","0.003","67.26","0.003","70.847","0.004","1317.22","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","o-phenylenebis(diphenylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]methyldiphenylphosphonium iodide","","- C31 H27 I P2 -","- C31 H27 I P2 -","- C62 H54 I2 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0431","0.0312","","","0.0699","0.0741","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015412","9.2002","0.0016","11.846","0.003","13.566","0.002","90","","94.312","0.014","90","","1474.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-phenylenebis(dimethylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]trimethylphosphonium iodide","","- C11 H19 I P2 -","- C11 H19 I P2 -","- C44 H76 I4 P8 -","4","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0846","0.0458","","","0.1038","0.1211","","","","","","0.967","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015413","12.442","0.003","8.333","0.0017","7.66","0.0015","90","","90.14","0.03","90","","794.2","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trifluoroacetate) trihydrate","","- C7 H14 F6 N6 O7 -","- C7 H14 F6 N6 O7 -","- C14 H28 F12 N12 O14 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.1074","0.0445","","","0.0892","0.1048","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015414","17.865","0.003","8.465","0.002","6.117","0.001","90","","100.22","0.01","90","","910.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trichloroacetate) dihydrate","","- C7 H12 Cl6 N6 O6 -","- C7 H12 Cl6 N6 O6 -","- C14 H24 Cl12 N12 O12 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.0378","0.0351","","","0.0819","0.0845","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015415","9.509","0.005","9.509","0.005","10.989","0.008","90","","90","","120","","860.5","0.9","296.1","","293","2","","","","","","","","4","R -3 :H","-R 3","148","calcium yttrium tin oxide","","","- Ca0.8 O6 Sn0.8 Y2.4 -","- Ca0.8001 O6 Sn0.8 Y2.3999 -","- Ca4.8006 O36 Sn4.8 Y14.3994 -","6","0.333333","FA3014","Yusuke Kaminaga; Hisanori Yamane; Takahiro Yamada","Ca~0.8~Y~2.4~Sn~0.8~O~6~, a quaternary oxide with mixed occupations of Ca/Y and Y/Sn","Acta Crystallographica Section C","2006","62","7","i57","i58","10.1107/S0108270106017586","","","0.710747","MoKα","","0.0186","0.0179","","","0.0411","0.0414","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015416","6.631","0.003","7.719","0.004","9.645","0.004","92.014","0.005","92.205","0.005","110.471","0.007","461.5","0.4","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","1","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0333","0.0263","","","0.0563","0.0581","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015417","11.69","0.0017","11.57","0.0013","7.98","0.0013","90","","110.51","0.006","90","","1010.9","0.3","118","2","118","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C8 H24 F6 N4 O8 P Rh2 -","- C8 H24 F6 N4 O8 P Rh2 -","- C16 H48 F12 N8 O16 P2 Rh4 -","2","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.03","0.0265","","","0.0547","0.0558","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015418","8.98","0.002","11.866","0.003","12.682","0.004","87.696","0.01","85.095","0.008","69.032","0.006","1257.2","0.6","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-propionamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C12 H32 F6 N4 O8 P Rh2 -","- C12 H32 F6 N4 O8 P Rh2 -","- C24 H64 F12 N8 O16 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.033","0.0264","","","0.0628","0.0654","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015419","9.1037","0.0004","11.0653","0.0001","14.0104","0.0005","73.667","0.01","82.14","0.01","79.49","0.01","1326.19","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-butyramidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C16 H36 F6 N4 O6 P Rh2 -","- C16 H36 F6 N4 O6 P Rh2 -","- C32 H72 F12 N8 O12 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0506","0.0405","","","0.0666","0.0693","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015420","21.293","0.003","5.9659","0.0008","4.4306","0.0006","90","","101.702","0.011","90","","551.13","0.13","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine","","- C12 H F10 N -","- C12 H F10 N -","- C24 H2 F20 N2 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0292","0.0281","","","0.0789","0.0796","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015421","21.417","0.003","5.7778","0.0011","8.1895","0.0014","90","","94.312","0.013","90","","1010.5","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine‒diphenylamine (1/1)","","- C24 H12 F10 N2 -","- C24 H12 F10 N2 -","- C48 H24 F20 N4 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0502","0.0477","","","0.1123","0.1143","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015422","16.044","0.004","17.619","0.004","17.942","0.005","90","","91.571","0.005","90","","5070","2","295","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-acetato-acetatoaqua(di-3-pyridylamine)di-μ~3~-oxo-tetrairon(III) chloride monohydrate ethanol 1.25-solvate","","- C36.5 H50.5 Cl Fe4 N6 O19.25 -","- C36.5 H45.25 Cl Fe4 N6 O19.25 -","- C146 H181 Cl4 Fe16 N24 O77 -","4","1","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1366","0.0677","","","0.1401","0.1599","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015423","32.147","0.006","12.048","0.002","8.0652","0.0016","90","","90","","90","","3123.7","1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate","","- C18 H36 Cl Fe3 N2 O19 -","- C18 H28 Cl Fe3 N2 O19 -","- C72 H112 Cl4 Fe12 N8 O76 -","4","0.5","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1551","0.0687","","","0.1645","0.2225","","","","","","1.013","","","","has coordinates,has Fobs","194047","2020-10-21","18:00:00",""
"2015424","6.704","0.002","10.493","0.003","28.536","0.007","90","","90","","90","","2007.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylammonium adenosine cyclic 2',3'-phosphate","Triethylammonium 4-(6-aminopurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole","","- C16 H27 N6 O6 P -","- C16 H27 N6 O6 P -","- C64 H108 N24 O24 P4 -","4","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","1.5418","CuKα","","0.0516","0.0466","","","0.1211","0.126","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015425","10.611","0.003","7.931","0.003","12.585","0.003","90","","96.89","0.03","90","","1051.5","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylammonium guanosine cyclic 2',3'-phosphate monohydrate","triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate","","- C16 H29 N6 O8 P -","- C16 H29 N6 O8 P -","- C32 H58 N12 O16 P2 -","2","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","0.71073","MoKα","","0.0626","0.0424","","","0.0738","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015426","12.159","0.0002","8.5666","0.0001","9.9999","0.0001","90","","90","","90","","1041.6","0.02","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(4-hydroxyphenyl)-4,4-dimethyl-2-oxazoline","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","FG3022","Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","7","o416","o418","10.1107/S0108270106019238","","","0.71073","MoKα","","0.0421","0.0364","","","0.1011","0.1054","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015427","12.9275","0.0012","14.0002","0.0013","19.6729","0.0014","100.747","0.007","102.467","0.007","96.879","0.008","3367.8","0.5","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound (II)","{Bis(3,5-Di-tert-butyl-2-oxidobenzyl)[2-(N,N-dimethylamino)ethyl]amine- κ^4^N,N',O,O'}zinc(II)","","- C34 H54 N2 O2 Zn -","- C34 H54 N2 O2 Zn -","- C136 H216 N8 O8 Zn4 -","4","2","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.1111","0.0418","","","0.0617","0.0707","","","","","","0.794","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015428","13.669","0.003","17.476","0.004","12.989","0.004","90","","93.14","0.02","90","","3098.1","1.4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (III)","{bis(3-tert-butyl-5-methyl-2-oxidobenzyl)[2-(N,N- dimethylamino)ethyl]amine-κ^4^N,N',O,O'}(tetrahdyrofuran)zinc(II)","","- C32 H50 N2 O3 Zn -","- C32 H50 N2 O3 Zn -","- C128 H200 N8 O12 Zn4 -","4","1","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.2113","0.0486","","","0.0547","0.0731","","","","","","0.676","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015429","14.2329","0.0008","7.3321","0.0004","14.9255","0.001","90","","109.03","0.006","90","","1472.46","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Iodo-(picolinato-N,O)(picolinic acid-N,O)mercury(II)","Iodo(picolinato-κ^2^N,O)(picolinic acid-κ^2^N,O)mercury(II)","","- C12 H9 Hg I N2 O4 -","- C12 H9 Hg I N2 O4 -","- C48 H36 Hg4 I4 N8 O16 -","4","0.5","GA3005","Popović, Zora; Pavlović, Gordana; Soldin, Željka","Iodo(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinic acid-κ^2^<i>N</i>,<i>O</i>)mercury(II)","Acta Crystallographica Section C","2006","62","7","m272","m274","10.1107/S0108270106014788","","","0.71073","MoKα","","0.0216","0.021","","","0.0467","0.0471","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015430","13.3426","0.0014","13.3426","0.0014","9.049","0.002","90","","90","","90","","1610.9","0.4","298","2","298","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","0.5","GA3008","Imashiro, Fumio","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","Acta Crystallographica Section C","2006","62","7","o410","o411","10.1107/S010827010601866X","","","0.71069","MoKα","","0.0505","0.034","","","0.0888","0.0967","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015431","14.803","0.002","14.803","0.002","16.991","0.004","90","","90","","90","","3723.2","1.1","294","2","294","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide","","- C12 H48 Cd I6 N12 Zn2 -","- C12 H48 Cd I6 N12 Zn2 -","- C48 H192 Cd4 I24 N48 Zn8 -","4","0.25","GD3008","Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang","A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds","Acta Crystallographica Section C","2006","62","7","m281","m283","10.1107/S0108270106017720","","","0.71073","MoKα","","0.0357","0.0272","","","0.0607","0.0619","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015433","14.708","0.003","15.633","0.003","19.158","0.004","94.99","0.03","96.62","0.03","114.88","0.03","3924.4","1.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","antimonium phthalocyanine","Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III)","","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","1","0.5","GD3021","Jan Janczak; Genivaldo Júlio Perpétuo","Tetrakis[phthalocyaninato(2‒)antimony(III)] docosaiodohexaantimony(III)","Acta Crystallographica Section C","2006","62","7","m323","m326","10.1107/S010827010601910X","","","0.71073","MoKα","","0.0907","0.0433","","","0.0693","0.0742","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015434","19.3785","0.0015","5.9918","0.0005","20.0293","0.0015","90","","117.813","0.001","90","","2057","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil‒thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.78 H8.34 F1.22 N4 O4 -","- C8.781 H8.34 F1.219 N4 O4 -","- C70.248 H66.72 F9.752 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0407","0.0369","","","0.093","0.0955","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015435","19.856","0.011","5.946","0.003","20.073","0.011","90","","117.66","0.008","90","","2099","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.77 H8.3 F1.23 N4 O4 -","- C8.766 H8.304 F1.234 N4 O4 -","- C70.128 H66.432 F9.872 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0802","0.0564","","","0.1264","0.1378","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015436","19.235","0.003","5.9683","0.0008","20.042","0.003","90","","118.216","0.002","90","","2027.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.58 H7.74 F1.42 N4 O4 -","- C8.579 H7.734 F1.421 N4 O4 -","- C68.632 H61.872 F11.368 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0462","0.0415","","","0.1071","0.11","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015437","8.2049","0.0005","11.9741","0.0008","17.9611","0.0012","90","","90","","90","","1764.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C12 H28 B K O6 -","- C12 H28 B K O6 -","- C48 H112 B4 K4 O24 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0447","0.0346","","","0.0794","0.0832","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015438","9.5611","0.0004","9.9657","0.0005","26.2779","0.0015","90","","90","","90","","2503.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium","","- C24 H36 B K O7 -","- C24 H36 B K O7 -","- C96 H144 B4 K4 O28 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0652","0.0475","","","0.1209","0.1289","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015439","36.2171","0.0001","36.2171","0.0001","7.6695","0.0001","90","","90","","120","","8712.14","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)thiazole-2(3H)-thione","","- C20 H18 Cl N O S2 -","- C20 H18 Cl N O S2 -","- C360 H324 Cl18 N18 O18 S36 -","18","3","HJ1090","Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2006","62","7","o386","o388","10.1107/S0108270106004677","","","0.71073","MoKα","","0.0625","0.0487","","","0.0872","0.0964","","","","","","1.296","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015440","16.9205","0.0011","10.7034","0.0006","7.2308","0.0005","90","","99.518","0.005","90","","1291.52","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 4-nitratocyclohexa-2,4-dienone monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0662","0.0402","","","0.0975","0.1068","","","","","","0.928","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015441","23.561","0.004","23.561","0.004","5.7823","0.0008","90","","90","","120","","2779.8","0.8","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","(R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C99 H135 N9 O18 -","9","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0644","0.0354","","","0.0826","0.0925","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015442","9.7424","0.0008","10.6073","0.0008","14.482","0.0011","102.592","0.006","104.459","0.006","105.84","0.006","1326.7","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 2-ethoxyphenolate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0796","0.0389","","","0.0842","0.0952","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015443","20.725","0.006","9.727","0.003","25.306","0.007","90","","96.095","0.004","90","","5073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)- 1,3-dicyclohexylurea","","- C28 H30 Br N3 O4 -","- C28 H30 Br N3 O4 -","- C224 H240 Br8 N24 O32 -","8","1","HJ3008","Li Wu; Hui-Min Liu; Wen-Tao Zhao; Wen-Qin Zhang","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracen-2-ylcarbonyl)-1,3-dicyclohexylurea","Acta Crystallographica Section C","2006","62","7","o435","o437","10.1107/S0108270106016520","","","0.71073","MoKα","","0.0797","0.0424","","","0.0933","0.1076","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015444","8.9489","0.0005","11.023","0.0008","11.2885","0.0007","111.427","0.002","98.281","0.001","108.834","0.001","936.71","0.11","295","2","","","","","","","","","","4","P -1","-P 1","2","","(1SR,2SR,3SR,4RS,5RS,6RS,7SR,8RS)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C32 H40 Cl4 O16 -","2","1","HJ3010","Şahin, Ertan; Kelebekli, Latif; Kara, Yunus; Balci, Metin","(1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,6<i>RS</i>,7<i>SR</i>,8<i>RS</i>)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","Acta Crystallographica Section C","2006","62","7","o432","o434","10.1107/S0108270106018336","","","0.71073","MoKα","","","0.076","","","","0.1896","","","","","","1.321","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2015445","11.8887","0.0006","12.8303","0.0006","10.2464","0.0004","90","","90","","90","","1562.94","0.12","293","2","293","2","","","","","","","","3","A m a 2","A 2 -2a","40","","dirubidium heptaoxodimolybdate","","- Mo2 O7 Rb2 -","- Mo2 O7 Rb2 -","- Mo16 O56 Rb16 -","8","1","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.0183","0.0178","","","0.0493","0.0494","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015446","15.558","0.0005","15.1794","0.0005","7.2252","0.0002","90","","90.0059","0.0011","90","","1706.31","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dicaesium heptaoxodimolybdate","","- Cs2 Mo2 O7 -","- Cs2 Mo2 O7 -","- Cs16 Mo16 O56 -","8","2","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.033","0.0282","","","0.0561","0.0582","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015447","9.1608","0.0008","7.9863","0.0007","9.459","0.0008","90","","113.908","0.0012","90","","632.65","0.09","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicalcium zinc cobalt digermanate","","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca8 Co0.12 Ge8 O28 Zn3.88 -","4","1","IZ3005","Redhammer, Günther J.; Roth, Georg.","Commensurate monoclinic form of Ca~2~Zn~0.97~Co~0.03~Ge~2~O~7~","Acta Crystallographica Section C","2006","62","7","i61","i63","10.1107/S0108270106016180","","","0.71073","MoKα","","","0.0218","","","","0.053","","","","","","1.07","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2015448","9.7859","0.0007","9.7859","0.0007","20.3813","0.0014","90","","90","","120","","1690.3","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","7-Deaza-2,8-diazaadenosine","4-amino-7-(β-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","JZ3014","Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank","7-Deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2006","62","7","o379","o381","10.1107/S010827010601818X","","","0.71073","MoKα","","0.0546","0.0443","","","0.1185","0.1253","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015449","5.1845","0.0012","9.719","0.002","10.041","0.002","95.305","0.005","98.541","0.005","101.663","0.005","486.07","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.0616","0.0464","","","0.1196","0.127","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015450","19.688","0.002","5.0178","0.0006","10.1344","0.0011","90","","97.762","0.002","90","","992.01","0.19","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.1158","0.0528","","","0.1171","0.1341","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015451","17.1397","0.0005","6.85","0.0002","16.1142","0.0005","90","","103.021","0.002","90","","1843.27","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","","- C10 H10 Cl4 N8 S2 Zn -","- C10 H10 Cl4 N8 S2 Zn -","- C40 H40 Cl16 N32 S8 Zn4 -","4","1","OB3005","Valkonen, Arto; Ahonen, Kari; Kolehmainen, Erkki","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2006","62","7","m290","m292","10.1107/S0108270106019469","","","0.71073","MoKα","","0.0719","0.0464","","","0.0758","0.0836","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015453","8.1697","0.0002","13.2052","0.0003","14.9286","0.0004","90","","90","","90","","1610.54","0.07","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C24 H60 Cl12 K4 O16 P4 Pt4 S4 -","4","1","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.111","0.0372","","","0.0553","0.0654","","","","","","0.868","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015454","14.2518","0.0003","16.6754","0.0003","20.8743","0.0003","90","","90","","90","","4960.87","0.15","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C72 H180 Cl36 K12 O48 P12 Pt12 S12 -","12","3","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.1899","0.0496","","","0.0547","0.0674","","","","","","0.853","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015455","6.3684","0.0001","11.6102","0.0001","22.743","0.0002","90","","90","","90","","1681.58","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-3,11-Dioxo-5α-androstanecarboxylic acid","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SK3023","Kikolski, Elizabeth M.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3,11-Dioxo-5α-androstanecarboxylic acid: catemeric hydrogen bonding in a steroidal diketo acid","Acta Crystallographica Section C","2006","62","7","o397","o398","10.1107/S0108270106017677","","","1.54178","CuKα","","0.04","0.035","","","0.082","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015456","9.1114","0.0004","22.6016","0.001","7.5004","0.0003","90","","111.971","0.003","90","","1432.4","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,3-bis(bromomethyl)benzene","","- C8 H7 Br3 -","- C8 H7 Br3 -","- C48 H42 Br18 -","6","1.5","SK3024","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","2-Bromo-1,3-bis(bromomethyl)benzene, with <i>Z</i>' = 1.5: whole-molecule disorder of one of the two independent molecules","Acta Crystallographica Section C","2006","62","7","o376","o378","10.1107/S0108270106017707","","","0.71073","MoKα","","0.1093","0.0839","","","0.2286","0.2534","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015457","11.1848","0.0004","7.7651","0.0004","12.3611","0.0005","90","","107.417","0.003","90","","1024.35","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.0567","0.0369","","","0.0927","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015458","4.9173","0.0002","19.8906","0.001","10.4976","0.0006","90","","92.929","0.003","90","","1025.41","0.09","298","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1524","0.0822","","","0.0936","0.1098","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015459","10.3432","0.0004","10.9105","0.0004","13.4621","0.0004","100.399","0.002","91.572","0.002","110.301","0.002","1394.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(3,4,5-Trimethoxybenzylidene)-2-thioxothaolidin-2-one","","- C13 H13 N O4 S2 -","- C13 H13 N O4 S2 -","- C52 H52 N4 O16 S8 -","4","2","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1354","0.0632","","","0.0981","0.1187","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015460","12.168","0.0002","18.6695","0.0004","9.0443","0.0002","90","","100.03","0.002","90","","2023.2","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-Iodo-N,N-bis(2-nitrophenylsulfonyl)aniline","4-iodophenylimino bis(2-nitrobenzenesulfinate)","","- C18 H12 I N3 O8 S2 -","- C18 H12 I N3 O8 S2 -","- C72 H48 I4 N12 O32 S8 -","4","1","SK3028","Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","4-Iodo-<i>N</i>,<i>N</i>-bis(2-nitrophenylsulfonyl)aniline: a three-dimensional framework structure built from six independent C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","7","o423","o425","10.1107/S0108270106019408","","","0.71073","MoKα","","0.0387","0.0286","","","0.0629","0.0667","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015461","9.2957","0.0004","27.5905","0.0013","11.0084","0.0005","90","","93.83","0.002","90","","2817.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline","","- C13 H8 I N3 O5 -","- C13 H8 I N3 O5 -","- C104 H64 I8 N24 O40 -","8","2","SK3030","Low, John N.; Skakle, Janet M. S.; Garden, Simon J.; Wardell, James L.; Glidewell, Christopher","<i>N</i>-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline: conformational isomers linked into complex sheets by five C—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2006","62","7","o441","o443","10.1107/S0108270106020373","","","0.71073","MoKα","","0.1619","0.05","","","0.0716","0.0925","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015462","8.6765","0.0007","9.0833","0.0006","11.2901","0.0009","73.87","0.005","82.182","0.004","65.147","0.003","775.41","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C30 H42 N6 O8 -","2","1","SK3031","Low, John N.; Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Glidewell, Christopher","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2006","62","7","o444","o446","10.1107/S0108270106020634","","","0.71073","MoKα","","0.1382","0.0635","","","0.1415","0.1731","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015463","10.641","0.006","7.292","0.004","19.943","0.011","90","","90.001","0.012","90","","1547.5","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-adamantylgermatrane","1-adamantyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane","","- C16 H27 Ge N O3 -","- C16 H27 Ge N O3 -","- C64 H108 Ge4 N4 O12 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.051","0.0376","","","0.0969","0.1077","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015464","9.4398","0.0013","16.69","0.002","10.3361","0.0016","90","","97.74","0.003","90","","1613.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(germatran-1-yl)methyl] N-cyclohexylcarbamate","(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl N-cyclohexylcarbamate","","- C14 H26 Ge N2 O5 -","- C14 H26 Ge N2 O5 -","- C56 H104 Ge4 N8 O20 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.0751","0.0472","","","0.1009","0.1079","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015465","11.1308","0.0006","10.4656","0.0005","13.6747","0.0007","90","","115.152","0.004","90","","1441.93","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyloxime)-κ^2^N^2^,N^6^]copper(II)","","- C11 H15 Cl2 Cu N3 O2 -","- C11 H15 Cl2 Cu N3 O2 -","- C44 H60 Cl8 Cu4 N12 O8 -","4","1","SQ3022","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]copper(II)","Acta Crystallographica Section C","2006","62","7","m315","m318","10.1107/S010827010601969X","","","0.71073","MoKα","","0.0356","0.0308","","","0.0842","0.0867","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015466","12.2053","0.0011","12.3053","0.0011","18.3182","0.0017","80.629","0.006","72.455","0.006","89.961","0.006","2584.8","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","","- C16 H32 I4 N2 Pb -","- C16 H32 I4 N2 Pb -","- C64 H128 I16 N8 Pb4 -","4","2","TR3004","Billing, David G.; Lemmerer, Andreas","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","Acta Crystallographica Section C","2006","62","7","m269","m271","10.1107/S0108270106013953","","","0.71073","MoKα","","","0.0345","","","","0.0928","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015467","9.72","0.008","10.654","0.011","16.127","0.014","90","","90","","90","","1670","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","AV3012","Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2006","62","8","o447","o449","10.1107/S0108270106021603","","","1.35","synchrotron","","0.0354","0.0329","","","0.0837","0.0875","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015468","14.8167","0.0018","8.8509","0.0011","10.3631","0.0014","90","","94.9","0.01","90","","1354.1","0.3","292","3","292","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tricobalt(II) tellurium(VI) hexaoxide","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","BC3008","Becker, Richard; Johnsson, Mats; Berger, Helmuth","A new synthetic cobalt tellurate: Co~3~TeO~6~","Acta Crystallographica, Section C","2006","62","8","i53","i55","10.1107/S010827010602347X","","","0.71073","MoKα","","0.0327","0.0306","","","0.086","0.0882","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015469","10.9253","0.0002","15.6992","0.0003","8.3683","0.0002","90","","109.066","0.0011","90","","1356.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~2~-hydrogen phosphato)(μ~2~-dihydrogen phosphato)aluminium(III)]","","- C10 H11 Al N2 O8 P2 -","- C10 H11 Al N2 O8 P2 -","- C40 H44 Al4 N8 O32 P8 -","4","1","BG3011","Chippindale, Ann M.","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')aluminium(III)], Al(2,2'-bipy)(HPO~4~)(H~2~PO~4~), a layered inorganic‒organic hybrid material","Acta Crystallographica Section C","2006","62","8","m372","m374","10.1107/S0108270106024309","","","0.71073","MoKα","","0.0611","0.038","","0.0525","0.0414","0.0414","","","","","","1.1172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015470","15.3025","0.0005","15.3025","0.0005","38.2467","0.0017","90","","90","","120","","7756.2","0.5","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","hexakis[tris(ethylenediamine-κ^2^N,N')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate, [Ni(C~2~H~8~N~2~)~3~]~6~[Cu~2~(CN)~7~]~2~[Cu(CN)~3~].9H~2~O","","- C53 H162 Cu5 N53 Ni6 O9 -","- C53 H162 Cu5 N53 Ni6 O9 -","- C159 H486 Cu15 N159 Ni18 O27 -","3","0.166667","DN3005","Juraj Kuchár; Juraj Černák; Werner Massa","Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate","Acta Crystallographica Section C","2006","62","8","m337","m339","10.1107/S0108270106015769","","","0.71073","MoKα","","0.0617","0.0362","","","0.075","0.0827","","","","","","0.893","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015471","10.119","0.002","11.212","0.002","19.17","0.004","90","","105.26","0.03","90","","2098.2","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamide]nickelate(II) monohydrate","","- C12 H28 N12 Ni2 O5 -","- C12 H28 N12 Ni2 O5 -","- C48 H112 N48 Ni8 O20 -","4","0.5","DN3007","Andrey I. Buvaylo; Nikolay M. Dudarenko; Igor O. Fritsky; Jolanta Świątek-Kozłowska","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamidato]nickelate(II) monohydrate","Acta Crystallographica Section C","2006","62","8","m331","m333","10.1107/S0108270106022323","","","0.71073","MoKα","","0.0378","0.0335","","","0.0791","0.082","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015472","12.2857","0.0001","12.2857","0.0001","26.1898","0.0002","90","","90","","90","","3953.05","0.05","100","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1S,2R)-bornane-10,2-sultam 0.15-hydrate","","- C18 H26.302 N4 O5.151 S -","- C18 H26.302 N4 O5.151 S -","- C144 H210.416 N32 O41.208 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0296","","","","0.0773","","","","","","1.027","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2015473","12.2794","0.0002","12.2794","0.0002","26.3417","0.0005","90","","90","","90","","3971.9","0.12","100","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1R,2S)-bornane-10,2-sultam 0.35-hydrate","","- C18 H26.697 N4 O5.3485 S -","- C18 H26.697 N4 O5.3485 S -","- C144 H213.576 N32 O42.788 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0377","","","","0.0935","","","","","","0.977","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2015474","29.149","0.004","5.139","0.004","14.498","0.004","90","","110.9","0.02","90","","2028.9","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-chloroacetyl-6-aminohexanoic acid","6-(2-Chloroacetamido)hexanoic acid","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C64 H112 Cl8 N8 O24 -","8","2","DN3018","Gastone, Carolina; Puiggalí, Jordi; Font-Bardia, Mercè; Urpí, Lourdes","6-(2-Chloroacetamido)hexanoic acid","Acta Crystallographica Section C","2006","62","8","o498","o500","10.1107/S0108270106022827","","","0.71073","MoKα","","0.0896","0.0483","","","0.1167","0.1323","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015475","8.121","0.003","9.299","0.004","12.532","0.005","90","","91.21","0.02","90","","946.2","0.7","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","","- C15 H26.26 N3 O7.63 -","- C15 H26.256 N3 O7.628 -","- C30 H52.512 N6 O15.256 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.5","synchrotron","","0.0249","0.0244","","","0.0673","0.0675","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015476","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.71073","MoKα","","0.0297","0.029","","","0.0769","0.0773","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015477","6.7404","0.0014","13.298","0.003","20.954","0.004","90","","90.331","0.003","90","","1878.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dimethyl sulfoxide solvate","","- C17 H17 Cl2 N3 O Pt S -","- C17 H17 Cl2 N3 O Pt S -","- C68 H68 Cl8 N12 O4 Pt4 S4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0486","0.0321","","","0.0637","0.0676","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015478","6.9085","0.0006","17.0822","0.0015","13.8402","0.0012","90","","98.586","0.002","90","","1615","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate","","- C15 H15 Cl2 N3 O2 Pt -","- C15 H15 Cl2 N3 O2 Pt -","- C60 H60 Cl8 N12 O8 Pt4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0549","0.0454","","","0.1273","0.1332","","","","","","1.01","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2015479","7.8683","0.0004","19.4979","0.0012","9.1273","0.0005","90","","98.968","0.003","90","","1383.15","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","FG3021","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate: formation of corrugated sheets from <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(16) rings","Acta Crystallographica Section C","2006","62","8","o476","o477","10.1107/S0108270106020580","","","0.71073","MoKα","","0.0985","0.0576","","","0.1186","0.1328","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015480","10.375","0.001","10.532","0.001","10.893","0.001","90","","103.61","0.001","90","","1156.85","0.19","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-[Aqua-chloro-(1R,4R,8S,11S-trans-6,13-diazonium-6,13-dimethyl- 1,4,8,11-tetraazacyclortetradecane-κ^4^ N^1,4,8,11^)nickel(II)] trichloride trihydrate","","- C12 H40 Cl4 N6 Ni O4 -","- C12 H40 Cl4 N6 Ni O4 -","- C24 H80 Cl8 N12 Ni2 O8 -","2","1","GA3002","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","<i>trans</i>-Aquachloro[(1<i>R</i>,4<i>R</i>,8<i>S</i>,11<i>S</i>)-6,13-diammonio-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1,4,8,11^]nickel(II) trichloride trihydrate","Acta Crystallographica Section C","2006","62","8","m352","m354","10.1107/S0108270106010407","","","0.71073","MoKα","","0.0167","0.0164","","","0.0392","0.0395","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015481","15.6582","0.0007","10.638","0.0006","11.1041","0.0005","90","","98.238","0.004","90","","1830.55","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-[(E)-o-tolyldiazenyl]cyclohexa-2,4-dienone","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","GA3007","Ersanlı, Cem Cüneyt; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy-4-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2006","62","8","o483","o485","10.1107/S010827010602052X","","","0.71073","MoKα","","0.06","0.035","","","0.082","0.089","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015482","8.8863","0.0004","22.3787","0.001","16.1281","0.0007","90","","106.47","0.001","90","","3075.7","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu~2~(pht)~2~(im)~2~(H~2~O)].H~2~O","Poly[[aquatetraimidazoledi-μ~2~-phthalato-dicopper(II)] monohydrate]","","- C28 H28 Cu2 N8 O10 -","- C28 H28 Cu2 N8 O10 -","- C112 H112 Cu8 N32 O40 -","4","1","GA3009","Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang; Xiao-Tao Deng","Poly[[aquatetraimidazoledi-μ-phthalato-dicopper(II)] monohydrate]","Acta Crystallographica Section C","2006","62","8","m343","m345","10.1107/S0108270106019068","","","0.71073","MoKα","","0.0529","0.0405","","","0.0919","0.096","","","","","","0.95","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015483","16.858","0.002","7.449","0.002","23.312","0.007","90","","94.39","0.015","90","","2918.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","1","GA3010","E. B. Seena; E. Manoj; M. R. Prathapachandra Kurup","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","Acta Crystallographica Section C","2006","62","8","o486","o488","10.1107/S0108270106014776","","","0.71073","MoKα","","0.0471","0.0331","","","0.089","0.0947","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015484","7.352","0.002","4.0181","0.0011","13.901","0.004","90","","101.426","0.01","90","","402.51","0.19","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C12 H8 S8 -","2","0.5","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0346","0.0276","","","0.0603","0.0653","","","","","","1.124","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015485","14.641","0.003","3.933","0.001","13.832","0.003","90","","100.98","0.01","90","","781.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0333","0.0247","","","0.0598","0.0664","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015486","14.625","0.003","3.909","0.001","13.812","0.003","90","","100.9","0.01","90","","775.4","0.3","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2,2'-bis(1,3-dithiole), low-temparature (γ) phase","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0266","0.0217","","","0.0554","0.0595","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015487","43.062","0.009","6.877","0.002","11.979","0.002","90","","101.06","0.02","90","","3481.5","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","AZO33","3,3'-[4-(4-nitrophenyldiazenyl)phenylimino]dipropionic acid","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","GD3032","Roberto Centore; Antonio Carella; Andrea Pugliese; Augusto Sirigu; Angela Tuzi","Double-helix pattern in a model compound of non-linear optical polymers","Acta Crystallographica Section C","2006","62","8","o531","o533","10.1107/S0108270106025108","","","0.71073","MoKα","","0.1996","0.0699","","","0.1254","0.1676","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015488","3.553","0.0016","9.693","0.004","16.345","0.007","90","","95.748","0.006","90","","560.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanine","2-amino-1,7-dihydro-6H-purin-6-one","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","GD3036","Guille, Kathy; Clegg, William","Anhydrous guanine: a synchrotron study","Acta Crystallographica Section C","2006","62","8","o515","o517","10.1107/S0108270106026011","","","0.6712","synchrotron","","0.0753","0.0587","","","0.1713","0.1831","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015489","11.8539","0.0018","12.2726","0.0018","19.498","0.003","90","","90","","90","","2836.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate methanol solvate","","- C31 H34 N4 O11 -","- C31 H34 N4 O11 -","- C124 H136 N16 O44 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0704","0.0528","","","0.0884","0.0941","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015490","7.1733","0.0018","19.1","0.002","21.955","0.002","90","","90","","90","","3008.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinim 3,5-dintrobenzoate dimethanol solvate","","- C32 H38 N4 O12 -","- C32 H38 N4 O12 -","- C128 H152 N16 O48 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0547","0.0474","","","0.1193","0.1235","","","","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015491","8.2499","0.0008","12.5379","0.0012","29.109","0.003","90","","90","","90","","3010.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate trihydrate","","- C30 H36 N4 O13 -","- C30 H36 N4 O13 -","- C120 H144 N16 O52 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0747","0.0566","","","0.1166","0.1266","","","","","","1.119","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015492","7.2397","0.0004","7.8151","0.0005","10.9548","0.0005","86.68","0.005","80.485","0.004","78.542","0.004","598.9","0.06","173","","173","","","","","","","","","3","P -1","-P 1","2","","1,4-bis(triisopropylsilyl)buta-1,3-diyne","","- C22 H42 Si2 -","- C22 H42 Si2 -","- C22 H42 Si2 -","1","0.5","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0856","0.0495","","0.0738","0.0537","0.0537","","","","","","1.0865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015493","6.6723","0.0002","11.032","0.0003","26.0094","0.0007","90","","91.2833","0.0014","90","","1914.04","0.09","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-bis(biphenyl-4-yl)buta-1,3-diyne","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0895","0.0398","","0.0576","0.0474","0.0474","","","","","","0.9925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015496","10.3497","0.0014","10.9934","0.0015","15.751","0.002","95.65","0.006","95.734","0.006","111.408","0.005","1642.4","0.4","294","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(aminodiethylammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","GZ3012","Feng Geng; Guo-Hua Han; Bi-Zhou Lin","Bis(iminodiethylenediammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","Acta Crystallographica Section C","2006","62","8","m355","m357","10.1107/S0108270106023092","","","0.71069","MoKα","","0.0361","0.0346","","","0.0902","0.0917","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015497","17.1216","0.0012","7.3269","0.0005","14.3494","0.001","90","","113.259","0.001","90","","1653.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-methylthio-8-azaxanthine","5-Methylsulfanyl-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(8H)-one monohydrate","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C40 H56 N40 O16 S8 -","8","1","HJ3007","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","5-Methylsulfanyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one (2-methylthio-8-azaxanthine) monohydrate","Acta Crystallographica Section C","2006","62","8","o489","o491","10.1107/S0108270106022359","","","0.71073","MoKα","","0.061","0.059","","","0.125","0.126","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015499","9.8232","0.0007","10.3192","0.0007","11.1465","0.0008","76.431","0.005","86.74","0.006","70.527","0.005","1035.25","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Propynylferrocene","","- C13 H12 Fe -","- C13 H12 Fe -","- C52 H48 Fe4 -","4","2","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0308","0.0267","","","0.0718","0.0739","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015500","8.7368","0.0009","10.6296","0.0015","15.1113","0.0016","90","","105.327","0.008","90","","1353.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Phenylethynyl)ferrocene","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","1","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0512","0.0291","","","0.0643","0.0694","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015501","9.964","0.002","11.565","0.002","19.882","0.004","90","","90","","90","","2291.1","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1- phenylpropylammonium chloride","","- C25 H30 Cl N O -","- C25 H30 Cl N O -","- C100 H120 Cl4 N4 O4 -","4","1","HJ3012","Guang-You Zhang; Wan-Hui Wang; Jin-Yan Zhao; Xiang-Bo Wang","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1-phenylpropylammonium chloride","Acta Crystallographica Section C","2006","62","8","o534","o536","10.1107/S0108270106024802","","","0.71073","MoKα","","0.09","0.0545","","","0.0913","0.1014","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015502","6.428","0.0002","16.085","0.0007","12.15","0.0006","90","","97.49","0.0016","90","","1245.52","0.09","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,4-Dinitrophenylsulfanyl)morpholine","","- C10 H11 N3 O5 S -","- C10 H11 N3 O5 S -","- C40 H44 N12 O20 S4 -","4","1","HJ3013","Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Vargas, Danitza","4-(2,4-Dinitrophenylsulfanyl)morpholine","Acta Crystallographica Section C","2006","62","8","o461","o463","10.1107/S0108270106021524","","","0.71073","MoKα","","","0.0692","","","","0.2058","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015503","8.2448","0.0004","10.1118","0.0005","20.199","0.0009","82.419","0.003","83.897","0.003","68.916","0.002","1554.36","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ~2~-diisopropylamido-di-μ~2~-hydrido-dimagnesium(II)disodium(I)","","- C24 H58 Mg2 N4 Na2 -","- C24 H58 Mg2 N4 Na2 -","- C48 H116 Mg4 N8 Na4 -","2","1","HJ3015","David V. Graham; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara","A polymeric solvent-free variant of a hydridomagnesium inverse crown","Acta Crystallographica Section C","2006","62","8","m366","m368","10.1107/S0108270106025091","","","0.71073","MoKα","","0.1503","0.0654","","","0.1112","0.1396","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015504","14.0426","0.0005","14.0426","0.0005","21.776","0.001","90","","90","","120","","3718.8","0.3","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","lanthanum iron sulfide","lanthanum(III) iron(II) sulfide","","- Fe12 La52 S90 -","- Fe12 La52.0506 S90 -","- Fe12 La52.0506 S90 -","1","0.0277778","IZ1068","Mills, Allison M.; Bräunling, Daniel; Ruck, Michael","Redetermination of the lanthanum iron sulfide La~52~Fe~12~S~90~","Acta Crystallographica, Section C","2006","62","8","i56","i58","10.1107/S0108270106014879","","","0.71073","MoKα","","0.0438","0.0429","","","0.1037","0.1042","","","","","","1.195","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015505","5.6705","0.0004","9.9954","0.0007","17.3234","0.0012","83.137","0.004","81.655","0.004","77.163","0.003","943.31","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Anilinium chloride‒N-phenyl-4-bromobenzenesulfonamide (1/1)","","- C18 H18 Br Cl N2 O2 S -","- C18 H18 Br Cl N2 O2 S -","- C36 H36 Br2 Cl2 N4 O4 S2 -","2","1","JZ3025","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","The anilinium chloride adduct of 4-bromo-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section C","2006","62","8","o470","o472","10.1107/S0108270106022104","","","0.71073","MoKα","","0.0512","0.0344","","","0.0823","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015506","11.327","0.004","21.621","0.007","7.911","0.003","90","","128.941","0.006","90","","1506.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate","","- C8 H6 Cl2 N6 O10 -","- C8 H6 Cl2 N6 O10 -","- C32 H24 Cl8 N24 O40 -","4","0.5","JZ3030","Rosokha, Sergiy V.; Lu, Jian-Jiang; Dibrov, Sergey M.; Kochi, Jay K.","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate: `push‒pull' deformation of aromatic rings by intramolecular charge transfer","Acta Crystallographica Section C","2006","62","8","o464","o466","10.1107/S0108270106020804","","","0.71073","MoKα","","0.0777","0.0527","","","0.1394","0.1478","","","","","","1.093","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015507","6.828","0.002","20.929","0.006","15.357","0.005","90","","92.007","0.005","90","","2193.2","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","Moxifloxacin hydrochloride","7-[(S,S)-8-azonia-2-azabicylo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy- 4-oxo-1,4-dihydro-3-quinoline-3-carboxylic acid chloride‒water‒methanol (2/1/1)","","- C21.5 H28 Cl F N3 O5 -","- C21.5 H28 Cl F N3 O5 -","- C86 H112 Cl4 F4 N12 O20 -","4","2","LN3009","Krishnan Ravikumar; Balasubramanian Sridhar","Moxifloxacinium chloride‒water‒methanol (2/1/1), a novel antibacterial agent","Acta Crystallographica Section C","2006","62","8","o478","o482","10.1107/S0108270106022256","","","0.71073","MoKα","","0.0832","0.0488","","","0.0905","0.1043","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015508","4.8859","0.0017","11.658","0.004","15.891","0.006","88.39","0.01","84.79","0.01","81.23","0.01","890.8","0.6","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,5-dichloro-4-cyanobenzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.071","0.056","","","0.13","0.136","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015509","7.3429","0.0018","10.378","0.003","11.826","0.003","90","","112.22","0.01","90","","834.3","0.4","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-4-cyano-benzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.027","0.026","","","0.07","0.075","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015510","11.237","0.003","11.41","0.003","14.566","0.004","90","","112.5","0.01","90","","1725.4","0.8","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-dichloro-4-cyanobenzoicacid 0.25-hydrate","","- C8 H3.5 Cl2 N O2.25 -","- C8 H3.5 Cl2 N O2.25 -","- C64 H28 Cl16 N8 O18 -","8","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.036","0.027","","","0.069","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015511","13.1756","0.0012","4.7279","0.0005","14.84","0.0014","90","","109.927","0.006","90","","869.08","0.15","296.1","","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","LN3015","Noguchi, Keiichi; Kondo, Hidekazu; Ichikawa, Yasushi; Washiyama, Junichiro; Okuyama, Kenji","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","Acta Crystallographica Section C","2006","62","8","o528","o530","10.1107/S0108270106024188","","","1.5418","CuKα","","0.0328","0.0318","","","0.0869","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015512","7.5629","0.0005","15.2199","0.0009","17.6543","0.0011","69.621","0.001","83.145","0.001","77.76","0.001","1859.3","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-4H-chromene-4-one","","- C20 H20 O9 -","- C20 H20 O9 -","- C80 H80 O36 -","4","2","OB3008","G. Y. S. K. Swamy; K. Ravikumar; B. Sridhar; I. Mahender; K. V. N. S. Srinivas","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(22) rings in 5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","Acta Crystallographica Section C","2006","62","8","o495","o497","10.1107/S0108270106023675","","","0.71073","MoKα","","0.069","0.0494","","","0.1194","0.1306","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015513","11.901","0.002","13.855","0.003","21.936","0.004","90","","95.347","0.003","90","","3601.3","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^N,O)benzyl]-1,7-dioxa-4,10- diazacyclododecane-κ^4^N^4^,N^10^,O^1,O^7^}ytterbium(III) perchlorate acetonitrile solvate","","- C38 H41 Cl N5 O8 Yb -","- C38 H41 Cl N5 O8 Yb -","- C152 H164 Cl4 N20 O32 Yb4 -","4","1","OB3011","González-Lorenzo, Marina; De Blas, Andres; Esteban-Gómez, David; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-κ^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III) perchlorate acetonitrile solvate","Acta Crystallographica Section C","2006","62","8","m360","m362","10.1107/S0108270106023833","","","0.71073","MoKα","","","0.0201","","","","0.046","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015514","16.112","0.003","10.442","0.002","17.058","0.003","90","","115.67","0.03","90","","2586.6","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3-aminopyridine-κN)(4,4-dimethyl-2,2'-bipyridine-κ^2^N,N')(perchlorato-κO)copper(II) perchlorate","","- C22 H24 Cl2 Cu N6 O8 -","- C22 H24 Cl2 Cu N6 O8 -","- C88 H96 Cl8 Cu4 N24 O32 -","4","1","SF3007","Qian, Hui-Fen; Huang, Wei","Bis(3-aminopyridine-κ<i>N</i>)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","2006","62","8","m349","m351","10.1107/S0108270106021160","","","0.71073","MoKα","","0.0493","0.0453","","","0.1009","0.1025","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015515","7.756","0.0015","10.336","0.002","12.873","0.003","83.802","0.003","75.795","0.003","76.01","0.003","969.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","","- C19 H12 Br Cl Cu N2 O6 -","- C19 H12 Br Cl Cu N2 O6 -","- C38 H24 Br2 Cl2 Cu2 N4 O12 -","2","1","SF3008","Hong-Yan Wu; Yun-Feng Feng; Shu-Rong Wang; Wei-Ping Huang","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","2006","62","8","m358","m359","10.1107/S0108270106022761","","","0.71073","MoKα","","0.0734","0.0491","","","0.1198","0.1384","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015516","12.9","0.005","12.9","0.005","30.33","0.003","90","","90","","90","","5047","3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(caffeine-κO)copper(II)]","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(3,7-dihydro-1,3,7- trimethyl-1H-purine-2,6-dione-κO)copper(II)]}","","- C44 H32 Cu2 N16 O28 -","- C44 H32 Cu2 N16 O28 -","- C176 H128 Cu8 N64 O112 -","4","0.25","SF3010","Stachová, Petra; Moncol, Jan; Valigura, Dušan; Lis, Tadeusz","Unusual <i>O</i>-coordination of caffeine in tetrakis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(caffeine-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2006","62","8","m375","m377","10.1107/S0108270106025467","","","0.71069","MoKα","","0.1408","0.0536","","","0.069","0.0783","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015517","8.9582","0.0006","9.836","0.0006","11.9183","0.0007","79.294","0.001","81.822","0.001","69.526","0.001","963.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[bis(dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","","- C17.5 H22 N2 O7 Zn -","- C17.5 H22 N2 O7 Zn -","- C35 H44 N4 O14 Zn2 -","2","1","SK3025","Jhon, Young Ho; Kim, Jaheon","Poly[[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","Acta Crystallographica Section C","2006","62","8","m334","m336","10.1107/S0108270106020968","","","0.71073","MoKα","","0.0357","0.0288","","","0.0715","0.0754","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015518","6.971","0.001","17.508","0.001","26.905","0.002","90","","90","","90","","3283.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0637","0.048","","","0.1159","0.1259","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015519","6.848","0.001","13.654","0.002","17.567","0.002","90","","90","","90","","1642.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C72 H64 Cl4 N12 O4 -","4","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0481","0.0418","","","0.1029","0.1072","","","","","","1.042","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015520","7.151","0.0006","9.768","0.0007","12.378","0.0008","72.094","0.005","83.529","0.004","85.055","0.004","816.28","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C38 H38 N6 O4 -","2","1","SK3039","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>]quinolin-5-one: a chain of centrosymmetric rings built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o525","o527","10.1107/S0108270106025522","","","0.71073","MoKα","","0.1536","0.0743","","","0.1304","0.1599","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015521","9.8216","0.0005","11.3582","0.0007","12.2783","0.0008","70.429","0.003","69.895","0.004","66.454","0.004","1147.66","0.13","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","7-amino-5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C44 H64 N16 -","4","2","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.1159","0.0559","","","0.1228","0.1498","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015522","8.097","0.0002","9.8881","0.0003","11.9661","0.0003","90","","96.23","0.005","90","","952.4","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-diamino-2,5-dimethylpyrazolo[1,5-a]pyrimidine monohydrate","","- C8 H13 N5 O -","- C8 H13 N5 O -","- C32 H52 N20 O4 -","4","1","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.0686","0.0479","","","0.1346","0.1505","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015523","16.1716","0.0019","8.488","0.001","5.3893","0.0006","90","","107.836","0.002","90","","704.2","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[lithium-μ~3~-ethylenediphosphonato]","","- C2 H7 Li O6 P2 -","- C2 H7 Li O6 P2 -","- C8 H28 Li4 O24 P8 -","4","0.5","SQ3018","Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A lithium ethylenediphosphonate containing lithium chains and symmetric hydrogen bonds","Acta Crystallographica Section C","2006","62","8","m363","m365","10.1107/S0108270106024528","","","0.71073","MoKα","","0.0356","0.0343","","","0.0929","0.0942","","","","","","0.983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015524","9.4886","0.0012","15.2217","0.0017","17.071","0.002","90","","90","","90","","2465.6","0.5","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,S~Fc~)-2-[(Diphenylthiophosphino)ferrocenyl]-4-methoxymethyl-1,3-dioxane","","- C28 H29 Fe O3 P S -","- C28 H29 Fe O3 P S -","- C112 H116 Fe4 O12 P4 S4 -","4","1","SQ3026","Jean-Claude Daran; Eric Manoury; Lucie Routaboul; Frédéric Rivals","(2<i>S</i>,4<i>S</i>,<i>S</i>~Fc~)-2-[2-(Diphenylthiophosphinoyl)ferrocenyl]-4-methoxymethyl-1,3-dioxane","Acta Crystallographica Section C","2006","62","8","m378","m380","10.1107/S0108270106025662","","","0.71073","MoKα","","0.0379","0.0278","","","0.0532","0.0562","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015525","15.3195","0.0005","5.1799","0.0003","24.6053","0.0008","90","","90.784","0.003","90","","1952.33","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzamide‒2,3,4,5,6-pentafluorobenzoic acid (2/1)","","- C21 H15 F5 N2 O4 -","- C21 H15 F5 N2 O4 -","- C84 H60 F20 N8 O16 -","4","1","SQ3027","Wojciech Jankowski; Maria Gdaniec; Tadeusz Połoński","The 2:1 cocrystal of benzamide and pentafluorobenzoic acid","Acta Crystallographica Section C","2006","62","8","o492","o494","10.1107/S0108270106022943","","","0.71073","MoKα","","0.0605","0.0377","","","0.0816","0.0916","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015526","7.6122","0.0009","20.091","0.002","13.8061","0.0016","90","","99.328","0.002","90","","2083.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridinium) (tetrachloro-oxo-pyridine-κN)niobate(V) chloride","","- C15 H17 Cl5 N3 Nb O -","- C15 H17 Cl5 N3 Nb O -","- C60 H68 Cl20 N12 Nb4 O4 -","4","1","SQ3030","Guzei, Ilia A.; Saulys, Dovas A.","A long Nb=O double bond in bis(pyridinium) tetrachlorooxo(pyridine-κ<i>N</i>)niobate(V) chloride","Acta Crystallographica Section C","2006","62","8","m369","m371","10.1107/S0108270106026060","","","0.71073","Mo-Kα","","0.0315","0.0303","","","0.0784","0.0792","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015527","12.4386","0.0008","9.8579","0.0007","12.2872","0.0008","90","","90.604","0.001","90","","1506.55","0.17","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","","- C24 H40 Cd N6 O10 S2 -","- C24 H40 Cd N6 O10 S2 -","- C48 H80 Cd2 N12 O20 S4 -","2","0.5","AV3025","Ming-Tian Li; Cheng-Gang Wang; Xu-Cheng Fu","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","Acta Crystallographica Section C","2006","62","9","m434","m436","10.1107/S0108270106029854","","","0.71073","MoKα","","0.0411","0.038","","","0.1165","0.1184","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015528","11.915","0.001","42.205","0.005","7.3069","0.0009","90","","90","","90","","3674.4","0.7","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","","- C8 H7 In O6 -","- C8 H7 In O6 -","- C128 H112 In16 O96 -","16","1","AV3026","Yu-Ling Wang; Qing-Yan Liu; Sheng-Liang Zhong","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","Acta Crystallographica Section C","2006","62","9","m395","m397","10.1107/S0108270106026679","","","0.71073","MoKα","","0.0271","0.0255","","","0.0565","0.0575","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015529","7.1193","0.0013","9.3307","0.0016","9.8866","0.0017","110.428","0.002","104.24","0.002","95.622","0.003","584.19","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetra-μ-aqua-hexaaqua-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","1","0.5","AV3027","Guo, Ming-Lin; Cao, Hong-Xia","Poly[tetra-μ-aqua-hexaaquadi-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","Acta Crystallographica Section C","2006","62","9","m431","m433","10.1107/S0108270106029866","","","0.71073","MoKα","","0.0246","0.0217","","","0.0549","0.0562","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015530","7.9382","0.0001","7.9382","0.0001","7.9382","0.0001","90","","90","","90","","500.226","0.011","173","2","173","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","gamma alumina","","","- Al2.67 O4 -","- Al2.6653 O4 -","- Al21.3224 O32 -","8","0.0416667","BC3006","Ľubomír Smrčok; Vratislav Langer; Jan Křesťan","γ-Alumina: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2006","62","9","i83","i84","10.1107/S0108270106026850","","","0.71073","MoKα","","0.028","0.0265","","","0.0978","0.1004","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015531","10.727","0.007","5.828","0.003","12.613","0.009","90","","103.24","0.08","90","","767.6","0.9","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sodium trichloromethanesulfonate monohydrate","","- C H2 Cl3 Na O4 S -","- C H2 Cl3 Na O4 S -","- C4 H8 Cl12 Na4 O16 S4 -","4","1","BC3009","Damian, Emiliana; Eriksson, Lars; Sandström, Magnus","Sodium trichloromethanesulfonate monohydrate","Acta Crystallographica Section C","2006","62","9","m419","m420","10.1107/S0108270106026448","","","0.71073","MoKα","","0.069","0.0476","","","0.1171","0.1266","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015532","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","0.5","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0242","0.0238","","","0.0677","0.068","","","","","","1.35","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015533","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","1","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.052","","","","","","0.967","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015534","11.452","0.0002","22.39","0.0004","12.871","0.0002","90","","91.661","0.001","90","","3298.87","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[1,3-bis(diphenylphosphino)ethane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C36 H32 N2 O0.66 P2 Ru S2 -","- C36 H32 N2 O0.66 P2 Ru S2 -","- C144 H128 N8 O2.64 P8 Ru4 S8 -","4","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","0.7107","MoKα","","0.069","0.0419","","","0.1002","0.1125","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015535","8.818","0.005","10.245","0.004","20.136","0.003","83.16","0.02","81.36","0.03","70.12","0.04","1686.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[1,3-bis(diphenylphosphino)propane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C37 H34 N2 O0.71 P2 Ru S2 -","- C37 H34 N2 O0.714 P2 Ru S2 -","- C74 H68 N4 O1.428 P4 Ru2 S4 -","2","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","1.54184","CuKα","","0.0423","0.0314","","","0.0846","0.0906","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015536","17.2481","0.001","20.6393","0.0012","11.5549","0.0006","90","","101.167","0.001","90","","4035.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[(1,10-phenanthroline)lead(II)]-μ-nitrato-μ-benzoato- [(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","","- C45 H31 N5 O9 Pb2 -","- C45 H31 N5 O9 Pb2 -","- C180 H124 N20 O36 Pb8 -","4","1","BG3015","Zhu, Long-Guan","A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","Acta Crystallographica Section C","2006","62","9","m428","m430","10.1107/S0108270106030198","","","0.71073","MoKα","","0.0607","0.037","","","0.0832","0.093","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015537","6.101","0.0003","7.6447","0.0004","8.4463","0.0005","66.239","0.003","70.516","0.003","67.479","0.003","325.48","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyloxalate (2:1)","thiourea:dimethyloxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0667","0.0407","","","0.0984","0.1129","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015538","6.03","0.001","7.511","0.002","8.414","0.002","65.613","0.004","70.475","0.003","66.168","0.003","311.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyl oxalate (2:1)","thiourea:dimethyl oxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0486","0.0399","","","0.0985","0.1029","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015539","6.6044","0.0011","9.2107","0.0015","13.95","0.002","90","","101.217","0.003","90","","832.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0385","0.0293","","","0.0707","0.0734","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015540","11.3492","0.0012","14.1993","0.0013","12.1291","0.0012","90","","96.41","0.003","90","","1942.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(4-pyridyl)butane-1,3-dionato]copper(II) methanol solvate","","- C19 H20 Cu N2 O5 -","- C19 H20 Cu N2 O5 -","- C76 H80 Cu4 N8 O20 -","4","1","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0507","0.0316","","","0.0882","0.0928","","","","","","0.897","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015541","9.827","0.002","4.9326","0.001","16.795","0.004","90","","93.91","0.004","90","","812.2","0.3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[[diaquacadmium(II)]-μ~4~-N-(phosphonatomethyl)glycinato]","","- C3 H10 Cd N O7 P -","- C3 H10 Cd N O7 P -","- C12 H40 Cd4 N4 O28 P4 -","4","1","DN3020","Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Huang, Ke-Long","Poly[[diaquacadmium(II)]-μ~4~-[<i>N</i>-(phosphonatomethyl)ammonio]acetato]","Acta Crystallographica Section C","2006","62","9","m389","m391","10.1107/S0108270106025625","","","0.7107","MoKα","","0.015","0.0148","","","0.0353","0.0353","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015542","10.909","0.004","5.352","0.003","12.474","0.005","90","","109.142","0.005","90","","688","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium picrate","L-prolinium picrate","","- C11 H12 N4 O9 -","- C11 H12 N4 O9 -","- C22 H24 N8 O18 -","2","1","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0843","0.0577","","","0.1514","0.1689","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015543","8.211","0.003","11.806","0.004","14.388","0.004","85.428","0.005","82.863","0.005","79.726","0.004","1359.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-methylpyridinium picrate","2-methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0727","0.0424","","","0.109","0.1238","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015544","13.3968","0.0005","5.0656","0.0002","14.3402","0.0005","90","","108.027","0.001","90","","925.39","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Anilinomethylene-3-oxobutanenitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","DN3022","Vratislav Langer; Eva Scholtzová; Pavel Mach; Tomáš Solčan; Ľubomír Smrčok","2-Anilinomethylene-3-oxobutanenitrile: an X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","9","o544","o546","10.1107/S0108270106025571","","","0.71073","MoKα","","0.0901","0.0492","","","0.1055","0.1243","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015545","9.994","0.002","5.202","0.001","13.798","0.003","90","","118.28","0.03","90","","631.7","0.3","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium bis[iodato(V)]dioxovanadate","","- I2 Li O8 V -","- I2 Li O8 V -","- I8 Li4 O32 V4 -","4","1","EM3001","Chen, Xue-An; Zhang, Li; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang","Lithium dioxobis[trioxoiodato(V)]vanadate, Li[VO~2~(IO~3~)~2~]","Acta Crystallographica Section C","2006","62","9","i76","i78","10.1107/S0108270106027193","","","0.71073","MoKα","","0.0369","0.036","","","0.1012","0.1016","","","","","","1.254","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015546","14.784","0.002","13.402","0.003","21.084","0.004","90","","104.88","0.01","90","","4037.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[3-(tert-butylaminoxyl)phenyl]-1,1-dimethyl-3,4- diphenylsilole-\κO}bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)manganese(II)","","- C86 H86 F12 Mn N4 O8 Si2 -","- C86 H86 F12 Mn N4 O8 Si2 -","- C172 H172 F24 Mn2 N8 O16 Si4 -","2","0.5","FA3007","Roques, Nans; Gerbier, Philippe; Imaz, Inhar; Guionneau, Philippe; Sutter, Jean-Pascal","{2,5-Bis[3-(<i>tert</i>-butylaminoxyl)phenyl]-1,1-dimethyl-3,4-diphenylsilole-κ<i>O</i>}bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)manganese(II)","Acta Crystallographica Section C","2006","62","9","m386","m388","10.1107/S0108270106020191","","","0.71069","MoKα","","0.1167","0.0555","","","0.131","0.1529","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015547","12.357","0.0009","10.3185","0.0007","31.305","0.002","90","","93.876","0.001","90","","3982.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(1,9-diethyladeninium) triiodide diiodide","","- C27 H42 I5 N15 -","- C27 H42 I5 N15 -","- C108 H168 I20 N60 -","4","1","FA3022","Day, Elizabeth F.; Dean, Norman S.; Franz, Andreas H.","Tris(1,9-diethyladeninium) triiodide diiodide","Acta Crystallographica Section C","2006","62","9","o571","o573","10.1107/S0108270106029532","","","0.71073","MoKα","","0.035","0.0288","","","0.0593","0.0615","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015548","8.3005","0.0009","9.6401","0.0011","10.04","0.0011","66.154","0.002","79.666","0.002","79.88","0.002","718.11","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H18 F N O -","- C18 H18 F N O -","- C36 H36 F2 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0422","0.0391","","","0.11","0.113","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015549","8.2596","0.0007","10.0084","0.0009","10.1134","0.0009","66.435","0.001","81.927","0.002","77.141","0.001","745.85","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0483","0.0434","","","0.1088","0.1122","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015550","10.049","0.004","12.752","0.006","13.479","0.006","98.641","0.006","90.781","0.006","99.424","0.006","1683.3","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(benzonitrile)tetrakis[μ-<i>p</i>-(diethylamino)benzoato- κ^2^O,O']dirhodium(II)(Rh—Rh) benzonitrile disolvate","","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","1","0.5","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0883","0.055","","","0.095","0.1035","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015551","12.75","0.006","13.29","0.004","14.773","0.005","96.55","0.03","109.42","0.01","118.43","0.01","1961","1.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","(methanol)tetrakis(μ-<i>p</i>-nitrobenzoato- κ^2^O,O')(pyridine)dirhodium(II)(Rh—Rh) dichloromethane solvate, [Rh~2~(C~7~H~4~NO~4~)~4~(C~2~H~4~O)(C~5~H~5~N)].CH~2~Cl~2~","","- C35 H27 Cl2 N5 O17 Rh2 -","- C35 H27 Cl2 N5 O17 Rh2 -","- C70 H54 Cl4 N10 O34 Rh4 -","2","1","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0701","0.047","","","0.1072","0.1164","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015552","12.5046","0.0005","8.1964","0.0003","18.3119","0.0007","90","","96.48","0.001","90","","1864.85","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1H-pyrazole- κN^2^]dichloropalladium(II) monohydrate","","- C10 H6 Cl2 F12 N4 O Pd -","- C10 H6 Cl2 F12 N4 O Pd -","- C40 H24 Cl8 F48 N16 O4 Pd4 -","4","1","GA3015","Spencer, Lara C.; Guzei, Ilia A.; Ojwach, Stephen O.; Darkwa, James","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]dichloropalladium(II) monohydrate","Acta Crystallographica Section C","2006","62","9","m421","m423","10.1107/S0108270106025030","","","0.71073","Mo-Kα","","0.0219","0.0203","","","0.0527","0.0538","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015553","34.7194","0.0009","6.0462","0.0001","10.0042","0.0003","90","","93.975","0.001","90","","2095.03","0.09","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","GA3018","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","Acta Crystallographica Section C","2006","62","9","o561","o562","10.1107/S0108270106026928","","","0.71073","MoKα","","0.0294","0.0291","","","0.0796","0.0799","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015554","10.557","0.004","7.682","0.002","14.376","0.008","90","","98.47","0.04","90","","1153.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","strychninium 4-chlorobenzoate","","- C28 H27 Cl N2 O4 -","- C28 H27 Cl N2 O4 -","- C56 H54 Cl2 N4 O8 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0533","0.0397","","","0.0813","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015555","10.976","0.002","7.545","0.001","14.187","0.002","90","","98.29","0.03","90","","1162.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium 4-nitrobenzoate","","- C28 H27 N3 O6 -","- C28 H27 N3 O6 -","- C56 H54 N6 O12 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0322","0.0305","","","0.0778","0.0788","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015556","4.9345","0.0003","22.9848","0.0013","8.3987","0.0005","90","","104.623","0.001","90","","921.71","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate","","- C3 H16 N2 O14 Se4 Zn3 -","- C3 H16 N2 O14 Se4 Zn3 -","- C6 H32 N4 O28 Se8 Zn6 -","2","0.5","GD3033","Ritchie, Lyndsey K.; Harrison, William T. A.","Poly[propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate]","Acta Crystallographica Section C","2006","62","9","m413","m415","10.1107/S010827010602508X","","","0.71073","MoKα","","0.0516","0.0325","","","0.0606","0.0644","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015557","9.768","0.002","10.804","0.002","16.244","0.003","91.39","0.03","97.05","0.03","99.22","0.03","1677.7","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.71073","MoKα","","0.1228","0.0592","","","0.104","0.1255","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015558","7.41","0.0011","14.687","0.002","15.5601","0.0019","80.37","0.007","77.677","0.007","86.297","0.008","1630.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.7107","MoKα","","0.0651","0.0479","","","0.0972","0.1054","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015559","10.9077","0.0008","9.961","0.0006","13.2994","0.0008","90","","107.223","0.003","90","","1380.21","0.16","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(trifluoromethanesulfonato-κO)silver(I)]-μ-di-2- pyridylamine-κ^2^N^2^:N^2'^]","","- C11 H9 Ag F3 N3 O3 S -","- C11 H9 Ag F3 N3 O3 S -","- C44 H36 Ag4 F12 N12 O12 S4 -","4","1","GD3040","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^], a chain polymer with short Ag···C contacts","Acta Crystallographica Section C","2006","62","9","m411","m412","10.1107/S0108270106028009","","","0.71073","MoKα","","0.032","0.0241","","","0.0554","0.0577","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015560","24.4575","0.0004","12.7827","0.0001","14.5598","0.0004","90","","126.323","0.001","90","","3667.4","0.13","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","diaqua(diethyl ether)[2,6-bis(3-tert-butylpyrazol-1-yl)pyridine]iron(II) bis(tetrafluoroborate) diethyl ether disolvate","","- C28 H47 B2 F8 Fe N5 O5 -","- C28 H47 B2 F8 Fe N5 O5 -","- C112 H188 B8 F32 Fe4 N20 O20 -","4","0.5","GG3033","Colin A. Kilner; Malcolm A. Halcrow","An unusual example of a linearly coordinated acetone ligand in a six-coordinate iron(II) complex","Acta Crystallographica Section C","2006","62","9","m437","m439","10.1107/S0108270106028903","","","0.71073","MoKα","","0.0508","0.0459","","","0.1202","0.1245","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015561","9.7924","0.0002","14.8921","0.0002","10.0937","0.0002","90","","113.392","0.002","90","","1350.98","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-3-(2-bromophenyl)propiononitrile","","- C16 H14 Br N -","- C16 H14 Br N -","- C64 H56 Br4 N4 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0387","0.0272","","","0.0587","0.0621","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015562","9.2","0.0003","9.328","0.0002","18.3031","0.0005","90","","90","","90","","1570.73","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-benzyl-2-cyano-3-phenylpropionate","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0368","0.0307","","","0.0729","0.0759","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015563","7.166","0.003","15.365","0.005","15.818","0.005","90","","90","","90","","1741.7","1.1","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strontium hydrogen l-malate hexahydrate","Strontium bis(hydrogen L-malate) hexahydrate","","- C8 H22 O16 Sr -","- C8 H22 O16 Sr -","- C32 H88 O64 Sr4 -","4","1","GZ3024","Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S.","Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate","Acta Crystallographica Section C","2006","62","9","m416","m418","10.1107/S0108270106028046","","","0.71073","MoKα","","0.0435","0.0212","","","0.0505","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015564","8.922","0.002","15.208","0.003","18.692","0.004","90","","91.523","0.003","90","","2535.3","0.9","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","pog","benzyl N-{2-[N-(tert-butoxycarbonyl)prolyl]-4-hydroxyprolyl}glycinate","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0704","0.0564","","","0.1497","0.1621","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015565","5.8816","0.0003","10.6294","0.0006","19.707","0.001","75.24","0.001","82.56","0.001","81.78","0.001","1173.56","0.11","200","2","200","2","","","","","","","","4","P 1","P 1","1","aog","benzyl N-{2-[N-(tert-butoxycarbonyl)alanyl]-4-hydroxyprolyl}glycinate","","- C22 H31 N3 O7 -","- C22 H31 N3 O7 -","- C44 H62 N6 O14 -","2","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0384","0.0379","","","0.0989","0.0996","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015566","10.7385","0.0006","9.1792","0.0007","12.5005","0.0008","90","","104.892","0.005","90","","1190.8","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(acesulfamato-κ^2^O,N)bis(3-methylpyridine)copper(II)","Bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(3-methylpyridine)copper(II)","","- C20 H22 Cu N4 O8 S2 -","- C20 H22 Cu N4 O8 S2 -","- C40 H44 Cu2 N8 O16 S4 -","2","0.5","GZ3026","Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif","Bis(acesulfamato-κ^2^<i>O</i>^4^,<i>N</i>)bis(3-methylpyridine)copper(II)","Acta Crystallographica Section C","2006","62","9","m401","m403","10.1107/S0108270106027880","","","0.71073","MoKα","","0.0557","0.0475","","","0.1137","0.1189","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015567","10.146","0.0002","7.3091","0.0002","25.1662","0.0007","90","","90","","90","","1866.28","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-dimethyamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.0478","0.033","","0.0467","","0.0371","","","","","","1.1689","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015568","5.9641","0.0001","8.4492","0.0001","23.14","0.0004","90","","90","","90","","1166.07","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-dimethyamino-β-ethyl-β-nitrostyrene","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.1289","0.0377","","0.0768","","0.039","","","","","","1.1373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015569","7.5232","0.0012","11.7458","0.0018","19.475","0.003","90","","98.671","0.003","90","","1701.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] 1,2-ethanediol solvate]","","- C12 H20 Co N2 O9 S -","- C12 H20 Co N2 O9 S -","- C48 H80 Co4 N8 O36 S4 -","4","1","HJ3018","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","<i>catena</i>-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]","Acta Crystallographica Section C","2006","62","9","m448","m450","10.1107/S0108270106031520","","","0.71073","MoKα","","0.0416","0.0322","","","0.0762","0.0829","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015570","12.531","0.003","12.531","0.003","12.721","0.004","90","","90","","120","","1729.9","0.8","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0127","0.0125","","","0.0301","0.0302","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015571","12.53","0.003","12.53","0.003","12.657","0.004","90","","90","","120","","1720.9","0.8","163","2","163","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0115","0.0114","","","0.0271","0.0271","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015572","20.337","0.002","17.7445","0.0018","12.7349","0.0013","90","","124.35","0.002","90","","3794.2","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","","- C48 H32 Cu N6 O6 -","- C48 H32 Cu N6 O6 -","- C192 H128 Cu4 N24 O24 -","4","0.5","MY3006","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","An unusual eight-coordinated copper complex: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","Acta Crystallographica Section C","2006","62","9","m404","m406","10.1107/S0108270106021809","","","0.71073","MoKα","","0.1125","0.0656","","","0.1231","0.1399","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015573","7.572","0.004","9.337","0.005","14.027","0.008","80.546","0.01","86.71","0.012","81.598","0.01","967.2","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C24 H14 F2 N2 O2 -","- C24 H14 F2 N2 O2 -","- C48 H28 F4 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.196","0.0742","","","0.0951","0.1211","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015574","7.828","0.005","9.523","0.007","13.952","0.01","76.46","0.013","87.25","0.014","83.705","0.015","1004.8","1.2","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C25 H17 F N2 O2 -","- C25 H17 F N2 O2 -","- C50 H34 F2 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.1912","0.0955","","","0.136","0.1587","","","","","","1.142","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015575","6.799","0.002","15.834","0.005","16.441","0.005","90","","90","","90","","1770","0.9","293","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 Cd N2 O6 -","- C19 H16 Cd N2 O6 -","- C76 H64 Cd4 N8 O24 -","4","1","OB3012","Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]","Acta Crystallographica Section C","2006","62","9","m392","m394","10.1107/S0108270106026783","","","0.71073","MoKα","","0.0343","0.0261","","","0.0477","0.0502","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015576","12.4071","0.0016","7.9834","0.001","21.376","0.003","90","","98.041","0.002","90","","2096.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(2-Aminobenzyl)-N,N-bis(quinolin-2-ylmethyl)amine","","- C27 H24 N4 -","- C27 H24 N4 -","- C108 H96 N16 -","4","1","SF3012","Abhijit Mitra; Pamela J. Seaton; Kraig A. Wheeler","<i>N</i>-(2-Aminobenzyl)-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)amine","Acta Crystallographica Section C","2006","62","9","o581","o582","10.1107/S0108270106030502","","","0.71073","MoKα","","0.0986","0.0574","","","0.1195","0.1342","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015577","10.694","0.0003","11.712","0.0003","16.048","0.0005","109.351","0.001","101.678","0.001","90.325","0.001","1851.41","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","","- C11 H5.66 D16 N2 O2.33 -","- C11 H21.6667 N2 O2.33333 -","- C66 H130 N12 O14 -","6","3","SK3034","Duskova, Jarmila; Jiri Labsky; Ivana Cisarova; Tereza Skalova; Jan Dohnalek; Jindrich Hasek","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","Acta Crystallographica Section C","2006","62","9","o563","o566","10.1107/S0108270106024814","","","0.7107","MoKα","","0.0629","0.0481","","","0.1288","0.1397","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015578","22.5423","0.0006","8.4647","0.0003","7.4243","0.0002","90","","91.51","0.002","90","","1416.17","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0558","0.0382","","","0.1046","0.1128","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015579","3.8557","0.0002","24.0484","0.0007","12.5466","0.0004","90","","96.877","0.002","90","","1154.99","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(4-bromophenyl)-2-(2-thienyl)acrylonitrile","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0723","0.0401","","","0.0734","0.0807","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015580","9.628","0.0011","5.719","0.0003","19.247","0.002","90","","103.129","0.007","90","","1032.09","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-phenyl-2-(3-thienyl)acrylonitrile","","- C13 H9 N S -","- C13 H9 N S -","- C52 H36 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0887","0.0665","","","0.1777","0.2062","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015581","9.1188","0.00012","11.3095","0.0002","11.6526","0.0002","97.5471","0.001","110.587","0.001","104.468","0.0011","1056.98","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)- 6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one monohydrate","","- C22 H25 N3 O4 S -","- C22 H25 N3 O4 S -","- C44 H50 N6 O8 S2 -","2","1","SK3043","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)-6-phenyl-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one monohydrate: complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2006","62","9","o554","o556","10.1107/S0108270106027557","","","0.71073","MoKα","","0.075","0.0569","","","0.134","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015582","11.3334","0.0006","12.9913","0.0007","15.7999","0.0009","78.778","0.001","79.52","0.001","66.023","0.001","2071.2","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate","","- C40 H36 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0436","0.0356","","","0.0816","0.0851","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015583","12.7346","0.0007","13.6135","0.0007","14.5978","0.0008","91.38","0.001","100.077","0.001","92.01","0.001","2489","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0379","0.0324","","","0.0678","0.0698","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015584","11.716","0.003","15.063","0.004","15.837","0.004","76.49","0.005","80.577","0.005","79.533","0.005","2650.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-11-thiosemicarbazonoindeno[1,2-b]quinoxaline-8-carboxylato)bis[(dimethyl sulfoxide)zinc(II)] dimethyl sulfoxide trisolvate","","- C44 H48 N10 O9 S7 Zn2 -","- C44 H48 N10 O9 S7 Zn2 -","- C88 H96 N20 O18 S14 Zn4 -","2","1","SQ3031","Xi-Quan Che; Yu-Xiang Gao; Jing-Wei Wang","A novel 8-carboxyindeno[1,2-<i>b</i>]quinoxalin-11-one thiosemicarbazone zinc(II) Schiff base complex","Acta Crystallographica Section C","2006","62","9","m440","m442","10.1107/S0108270106027582","","","0.71073","MoKα","","0.1336","0.0695","","","0.1541","0.188","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2015585","18.0255","0.0011","7.6426","0.0005","10.7325","0.0008","90","","90","","90","","1478.53","0.17","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyl oxime)-κ^3^N^1^,N^2^,N^6^]cobalt(II)","","- C11 H15 Cl2 Co N3 O2 -","- C11 H15 Cl2 Co N3 O2 -","- C44 H60 Cl8 Co4 N12 O8 -","4","0.5","SQ3032","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)","Acta Crystallographica Section C","2006","62","9","m398","m400","10.1107/S0108270106026916","","","0.71073","MoKα","","0.0322","0.0242","","","0.0585","0.0607","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015586","8.747","0.004","9.016","0.005","9.863","0.009","90","","100.96","0.04","90","","763.6","0.9","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lead Vanadylphosphate","dilead vanadium oxide bis(phosphate)","","- O9 P2 Pb2 V -","- O9 P2 Pb2 V -","- O36 P8 Pb8 V4 -","4","1","AV3010","Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov","The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~","Acta Crystallographica Section C","2006","62","10","i88","i90","10.1107/S0108270106021597","","","0.71069","MoKα","","0.0321","0.0321","","","0.0445","0.0445","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015587","8.8154","0.0009","15.0516","0.0003","6.695","0.0006","90","","90.933","0.012","90","","888.21","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium nitrate","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.058","0.0466","","","0.1261","0.1342","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015588","7.5492","0.0007","19.3871","0.0005","7.2974","0.0003","90","","101.524","0.005","90","","1046.5","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium perchlorate monohydrate","","","- C7 H10 Cl N O7 -","- C7 H10 Cl N O7 -","- C28 H40 Cl4 N4 O28 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0488","0.0415","","","0.1138","0.1201","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015589","18.7094","0.0008","14.0562","0.0004","6.0551","0.0005","90","","97.272","0.005","90","","1579.58","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(p-Carboxyphenylammonium) sulfate","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C56 H64 N8 O32 S4 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0864","0.0596","","","0.1578","0.1811","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015590","8.6681","0.001","5.6287","0.0004","11.733","0.0014","90","","90.199","0.014","90","","572.45","0.1","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","rubidium dibarium azide","Rubidium dibarium pentaazide","","- Ba2 N15 Rb -","- Ba2 N15 Rb -","- Ba4 N30 Rb2 -","2","0.5","BC3011","Vajenine, Grigori V.","RbBa~2~(N~3~)~5~: a new ternary azide","Acta Crystallographica Section C","2006","62","10","i85","i87","10.1107/S0108270106033981","","","0.56086","AgKα","","0.0494","0.0342","","","0.0797","0.0843","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015591","7.876","0.002","15.594","0.004","19.136","0.005","90","","93.214","0.005","90","","2346.6","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5,7-dihydroxyflavone-6-sulfonate-κ^2^O^4^,O^5^)nickel(II) dimethylformamide solvate monohydrate","","- C18 H25 N Ni O13 S -","- C18 H25 N Ni O13 S -","- C72 H100 N4 Ni4 O52 S4 -","4","1","BG3016","Yun He","Tetraaqua(7-hydroxy-5-oxidoflavone-6-sulfonato-κ^2^<i>O</i>^4^,<i>O</i>^5^)nickel(II) dimethylformamide solvate monohydrate","Acta Crystallographica Section C","2006","62","10","m469","m471","10.1107/S0108270106034536","","","0.71073","MoKα","","0.0473","0.032","","","0.0801","0.0838","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015592","13.7244","0.0008","21.6461","0.0013","16.1238","0.0009","90","","90.68","0.001","90","","4789.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] undecahydrate","","- C40 H54 Fe2 N8 O20 S2 -","- C40 H54 Fe2 N8 O20 S2 -","- C160 H216 Fe8 N32 O80 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.0816","0.0604","","","0.113","0.1205","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015593","12.8303","0.0018","21.819","0.003","19.312","0.003","90","","96.288","0.003","90","","5373.8","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] pentadecahydrate","","- C40 H62 Fe2 N8 O24 S2 -","- C40 H62 Fe2 N8 O24 S2 -","- C160 H248 Fe8 N32 O96 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.1132","0.0565","","","0.093","0.107","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015594","13.8","0.003","14.984","0.003","18.283","0.004","90","","90","","90","","3780.5","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","","- C32 H40 Br6 Fe2 N2 O -","- C32 H40 Br6 Fe2 N2 O -","- C128 H160 Br24 Fe8 N8 O4 -","4","0.5","FA3029","Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari","A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","Acta Crystallographica Section C","2006","62","10","m458","m460","10.1107/S0108270106033208","","","0.71073","MoKα","","0.0847","0.0491","","","0.0963","0.1103","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015595","7.637","0.002","9.4576","0.0017","17.632","0.004","90","","90","","90","","1273.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","","- C11 H14 Cl N5 O3 -","- C11 H14 Cl N5 O3 -","- C44 H56 Cl4 N20 O12 -","4","1","FA3032","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","2-Amino-7-chloro-2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","10","o593","o595","10.1107/S0108270106032227","","","0.71073","MoKα","","0.1333","0.0604","","","0.1151","0.1446","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015596","13.439","0.0004","13.868","0.0004","46.162","0.0015","90","","93.05","0.002","90","","8591.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-[5-(4-Bromophenyl)-1H-pyrazol-3-ylamino]-5,5-dimethylcyclohex- 2-en-1-one‒(Z)-3-(4-bromophenyl)-3-chloroacrylonitrile (2:1)","","- C43 H41 Br3 Cl N7 O2 -","- C43 H41 Br3 Cl N7 O2 -","- C344 H328 Br24 Cl8 N56 O16 -","8","1","FA3037","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-[5-(4-Bromophenyl)-1<i>H</i>-pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one‒(<i>Z</i>)-3-(4-bromophenyl)-3-chloroacrylonitrile (2/1): a stoichiometric cocrystal of a reaction product with one of its early precursors","Acta Crystallographica Section C","2006","62","10","o608","o611","10.1107/S0108270106033968","","","0.71073","MoKα","","0.0984","0.0512","","","0.1165","0.1364","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015597","5.961","0.001","17.604","0.004","8.917","0.002","90","","108.38","0.03","90","","888","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(ethylenediaminium) bis[N,N-dihydroxyoxamidato(3-)]nickelate(II) dihydrate","","- C8 H26 N8 Ni O10 -","- C8 H26 N8 Ni O10 -","- C16 H52 N16 Ni2 O20 -","2","0.5","GA3019","Yurii S. Moroz; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Nikolay M. Dudarenko; Jolanta Świątek-Kozłowska","Bis(ethylenediaminium) bis[oxalohydroxamato(3‒)]nickelate(II) dihydrate","Acta Crystallographica Section C","2006","62","10","m498","m500","10.1107/S0108270106036201","","","0.71073","MoKα","","0.0365","0.0344","","","0.0939","0.0954","","","","","","1.081","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015598","14.4115","0.0006","11.4432","0.0004","13.432","0.0005","90","","102.434","0.002","90","","2163.16","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[4-(hexyloxy)phenyl]pyridin-4(1H)-one‒4-cyanobenzoic acid (1/1)","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","GA3021","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1<i>H</i>)-one with 4-cyanobenzoic acid","Acta Crystallographica Section C","2006","62","10","o596","o598","10.1107/S0108270106033117","","","0.71073","MoKα","","0.074","0.05","","","0.112","0.123","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015599","13.8014","0.0004","8.903","0.0004","21.1399","0.0009","90","","91.675","0.003","90","","2596.43","0.18","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinato(2-)]zinc(II)] N,N'-dimethylacetamide disolvate]","","- C60 H54 N6 O10 Zn -","- C60 H54 N6 O10 Zn -","- C120 H108 N12 O20 Zn2 -","2","0.5","GA3024","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Poly[[[μ-5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato(2‒)]zinc(II)] <i>N</i>,<i>N</i>'-dimethylacetamide disolvate]","Acta Crystallographica Section C","2006","62","10","m495","m497","10.1107/S0108270106035840","","","0.71073","MoKα","","0.0982","0.0642","","","0.1043","0.1156","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015600","22.018","0.004","8.96","0.0018","16.371","0.003","90","","92.49","0.03","90","","3226.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly-[bis[(1,10-phenanthroline)nickel(II)]-μ- 3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","","- C18 H12 N2 Ni O6 -","- C18 H12 N2 Ni O6 -","- C144 H96 N16 Ni8 O48 -","8","1","GD3041","Zhi-Feng Li; Hong-Zhen Xie; Yue-Qing Zheng","<i>catena</i>-Poly[bis[(1,10-phenanthroline)nickel(II)]-μ-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","Acta Crystallographica Section C","2006","62","10","m455","m457","10.1107/S0108270106032495","","","0.71073","MoKα","","0.0515","0.0355","","","0.0806","0.0872","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015601","10.0979","0.0004","13.4026","0.0007","10.6047","0.0004","90","","109.479","0.003","90","","1353.07","0.11","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-n-hexyl-5-hydroxy-3-phenyl-1H-pyrazole","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","GD3042","Julio Belmar; Claudio Jiménez; C. Ruiz-Pérez; F. S. Delgado; Ricardo Baggio","A unique tautomer of 1-<i>n</i>-hexyl-3-phenyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section C","2006","62","10","o599","o601","10.1107/S0108270106032926","","","0.71073","MoKα","","0.0719","0.047","","","0.0966","0.1093","","","","","","1.132","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015602","10.914","0.0016","8.7717","0.0013","15.692","0.002","90","","101.488","0.003","90","","1472.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol- 1-ylmethyl)benzene-κ^2^N^4^:N^4'^]]","","- C26 H24 Cd N14 S2 -","- C26 H24 Cd N14 S2 -","- C52 H48 Cd2 N28 S4 -","2","0.5","GD3044","Ge, Hai-Yan; Zhang, Yu-Mei; Li, Bao-Long; Zhang, Yong","<i>catena</i>-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]: a double-chain coordination polymer","Acta Crystallographica Section C","2006","62","10","m501","m503","10.1107/S010827010603294X","","","0.7107","MoKα","","0.0357","0.0315","","","0.0684","0.0702","","","","","","1.084","","","","has coordinates,has Fobs","287989","2023-12-04","14:52:13",""
"2015603","9.2505","0.0004","9.66","0.0005","21.1032","0.001","90","","101.422","0.003","90","","1848.43","0.15","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II)","","- C47 H28 N8 O Zn -","- C47 H28 N8 O Zn -","- C94 H56 N16 O2 Zn2 -","2","1","GD3047","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination","Acta Crystallographica Section C","2006","62","10","m477","m479","10.1107/S0108270106034986","","","0.71073","MoKα","","0.0779","0.0632","","","0.132","0.1389","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015604","17.852","0.013","7.365","0.005","13.558","0.01","90","","96.194","0.011","90","","1772","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C64 H76 N4 O36 S4 -","4","1","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0702","0.0429","","","0.1048","0.1225","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015605","8.827","0.003","10.422","0.003","12.803","0.004","88.888","0.004","84.952","0.004","74.255","0.004","1129.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","1","0.5","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0754","0.0465","","","0.1077","0.1252","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015606","10.5429","0.0003","12.4821","0.0004","12.6458","0.0003","90","","90","","90","","1664.16","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound I","2,6-dibromo-3,5-dimethylpyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C56 H56 Br16 N8 -","8","2","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0307","0.0255","","","0.0469","0.0486","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015607","7.6194","0.0003","14.6296","0.0006","8.1057","0.0002","90","","90","","90","","903.53","0.06","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 2","2,6-diiodo-3,5-dimethylpyridine","","- C7 H7 I2 N -","- C7 H7 I2 N -","- C28 H28 I8 N4 -","4","0.5","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0256","0.0212","","","0.0452","0.0469","","","","","","1.121","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015608","12.268","0.003","10.514","0.002","19.549","0.004","90","","106.78","0.03","90","","2414.2","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito- κP)palladium(II)]","","- C48 H42 Cl2 O12 P4 Pd2 -","- C48 H42 Cl2 O12 P4 Pd2 -","- C96 H84 Cl4 O24 P8 Pd4 -","2","0.5","GG3039","Gniewek, Andrzej; Pryjomska-Ray, Iweta; Trzeciak, Anna M.; Ziółkowski, Józef J.; Lis, Tadeusz","A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κ<i>P</i>)(diphenoxyphosphinito-κ<i>P</i>)palladium(II)]","Acta Crystallographica Section C","2006","62","10","m491","m494","10.1107/S0108270106034500","","","0.71073","MoKα","","0.0975","0.0521","","","0.1005","0.1108","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015609","7.5511","0.0002","14.4834","0.0004","8.3097","0.0003","90","","110.485","0.002","90","","851.33","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0356","0.0275","","","0.0676","0.0715","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015610","15.1188","0.0017","3.8801","0.0004","13.6029","0.0014","90","","91.106","0.006","90","","797.83","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0759","0.0455","","","0.0903","0.1005","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015611","11.1667","0.0004","6.9936","0.0003","12.7105","0.0004","90","","112.02","0.06","90","","920.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-2-chlorobenzohydrazide monohydrate","","- C7 H10 Cl N3 O2 -","- C7 H10 Cl N3 O2 -","- C28 H40 Cl4 N12 O8 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0492","0.035","","","0.084","0.0905","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015612","12.5382","0.001","4.9867","0.0002","12.8637","0.0008","90","","90","","90","","804.29","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.1378","0.0875","","","0.0863","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015613","5.9765","0.0012","7.9484","0.0016","18.13","0.004","90","","96.439","0.004","90","","855.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,R~S~)-6-Phenyl-1-(p-tolylsulfinyl)hexa-3(E),5(E)-dien-2-ol","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C38 H40 O4 S2 -","2","1","GG3043","Oscar Donoso-Tauda; Carlos A. Escobar; Ramiro Araya-Maturana; Andrés Vega","(2<i>S</i>,<i>R</i>~S~)-6-Phenyl-1-(<i>p</i>-tolylsulfinyl)hexa-3(<i>E</i>),5(<i>E</i>)-dien-2-ol","Acta Crystallographica Section C","2006","62","10","o631","o632","10.1107/S0108270106036171","","","0.71073","MoKα","","0.0848","0.0627","","","0.105","0.1134","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015614","11.039","0.002","13.995","0.003","17.371","0.003","90","","99.04","0.03","90","","2650.3","0.9","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-amino-4,6-dimethylpyrimidinium salicylate","2-amino-4,6-dimethylpyrimidinium salicylate","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","4","GZ3021","Packianathan Thomas Muthiah; Kasthuri Balasubramani; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding and π‒π interactions in 2-amino-4,6-dimethylpyrimidinium salicylate","Acta Crystallographica Section C","2006","62","10","o605","o607","10.1107/S0108270106031015","","","0.71073","MoKα","","0.1477","0.0453","","","0.0594","0.0819","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015615","7.931","0.0016","10.34","0.002","11.734","0.002","74.87","0.03","75.64","0.03","68.06","0.03","849.4","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^N,O)zinc(II) tetrahydrate","","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","1","0.5","GZ3031","Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal‒water chain complex containing cyclic water hexamers","Acta Crystallographica Section C","2006","62","10","m488","m490","10.1107/S0108270106035359","","","0.71073","MoKα","","0.0695","0.0576","","","0.1094","0.1179","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015616","9.904","0.006","9.654","0.006","20.13","0.013","90","","94.228","0.011","90","","1919","2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Bis[(3-aminopropyl)dimethylphosphine-κ^2^N,P]palladium(II) dichloride methanol solvate","","- C11 H32 Cl2 N2 O P2 Pd -","- C11 H32 Cl2 N2 O P2 Pd -","- C44 H128 Cl8 N8 O4 P8 Pd4 -","4","1","OB3009","Suzuki, Takayoshi; Hasegawa, Atsushi; Yamaguchi, Hiroshi; Kashiwabara, Kazuo; Takagi, Hideo D.","<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-κ^2^<i>N</i>,<i>P</i>]palladium(II) dichloride methanol solvate","Acta Crystallographica Section C","2006","62","10","m461","m463","10.1107/S0108270106023596","","","0.7107","MoKα","","0.0342","0.0289","","","0.0545","0.0562","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015617","6.517","0.001","16.67","0.003","9.56","0.002","90","","108.69","0.02","90","","983.8","0.3","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminotherephtalic acid chlorohydrate and hydrate","2,5-Dicarboxyanilinium chloride monohydrate","","- C8 H10 Cl N O5 -","- C8 H10 Cl N O5 -","- C32 H40 Cl4 N4 O20 -","4","1","SF3013","Bruno, Giuseppe; Rotondo, Archimede; Brancatelli, Giovanna; Nicoló, Francesco; Marino, Nadia","2,5-Dicarboxyanilinium chloride monohydrate","Acta Crystallographica Section C","2006","62","10","o587","o589","10.1107/S0108270106030873","","","0.71073","MoKα","","","0.0432","","","","0.1171","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015618","20.2187","0.0014","11.5943","0.0006","13.5435","0.0009","90","","93.106","0.003","90","","3170.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","","- C26 H46 Fe2 N2 O9 S -","- C26 H46 Fe2 N2 O9 S -","- C104 H184 Fe8 N8 O36 S4 -","4","1","SF3015","Guo, Hong-Xu","Two-dimensional hydrogen-bond network in bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","Acta Crystallographica Section C","2006","62","10","m504","m506","10.1107/S0108270106035232","","","0.71073","MoKα","","0.0636","0.0329","","","0.063","0.0665","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015619","14.4281","0.0005","18.8386","0.0007","9.0887","0.0003","90","","125.285","0.001","90","","2016.52","0.12","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(2R*,3S*)-1-(3,4-dimethoxyphenyl)-3-{3-methoxy-2-[(2R*)-tetrahydropyran- 2-yloxy]phenyl}-2,3-epoxy-1-propanone","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0445","0.0363","","","0.0937","0.0994","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015620","12.7503","0.001","9.4201","0.0007","15.4409","0.0012","90","","94.706","0.002","90","","1848.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-methoxymethoxyphenyl)-2,3- epoxy-1-propanone","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0782","0.0441","","","0.0985","0.1134","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015621","7.505","0.0015","5.8492","0.001","19.381","0.004","90","","100.289","0.01","90","","837.1","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclodecyl 4-nitrophenylacetate","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","SK3048","Brown, Judge; Pawar, Diwakar M.; Fronczek, Frank R.; Noe, Eric A.","Cyclodecyl 4-nitrophenylacetate","Acta Crystallographica Section C","2006","62","10","o628","o630","10.1107/S0108270106035049","","","0.71073","MoKα","","0.049","0.038","","","0.081","0.087","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015622","9.7949","0.0009","10.8765","0.001","19.4517","0.0017","80.19","0.001","76.77","0.001","68.758","0.001","1871.5","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","","- C42 H30 Re S6 -","- C42 H30 Re S6 -","- C84 H60 Re2 S12 -","2","1","SQ3033","Eisenberg, Richard; Brennessel, William W.","Redetermination of the trigonal prismatic complex tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","Acta Crystallographica Section C","2006","62","10","m464","m466","10.1107/S0108270106033336","","","0.71073","MoKα","","0.0476","0.0361","","","0.0853","0.0893","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015623","9.3387","0.0011","7.1393","0.0008","9.4837","0.001","90","","118.495","0.005","90","","555.7","0.11","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(methylaminedihydroborane) triiodide","","- C2 H12 B I3 N2 -","- C2 H12 B I3 N2 -","- C4 H24 B2 I6 N4 -","2","0.5","SQ3034","Gainsford, Graeme J.; Kemmitt, Tim","Dihydrobis(methylamine)borate triiodide","Acta Crystallographica Section C","2006","62","10","o602","o604","10.1107/S010827010603335X","","","0.71073","MoKα","","0.0461","0.0353","","","0.0885","0.1002","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015624","11.1178","0.0007","13.3595","0.0009","13.7998","0.0009","111.627","0.001","102.995","0.001","103.648","0.001","1737.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[tris(2-nitrobenzylideneaminoethyl)amine-κ^4^N]copper(I) perchlorate acetonitrile trisolvate","","- C31 H33 Cl Cu N9 O10 -","- C31 H33 Cl Cu N9 O10 -","- C62 H66 Cl2 Cu2 N18 O20 -","2","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0463","0.0331","","","0.0747","0.0818","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015625","13.183","0.005","14.485","0.006","16.914","0.007","90","","95.319","0.007","90","","3216","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chloro[tris(2-nitrobenzylaminoethyl)amine-κ^4^N]copper(II) chloride ethanol solvate","","- C29 H39 Cl2 Cu N7 O7 -","- C29 H39 Cl2 Cu N7 O7 -","- C116 H156 Cl8 Cu4 N28 O28 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.1218","0.0545","","","0.1221","0.1531","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015626","9.5361","0.0007","18.687","0.0013","19.2367","0.0013","90","","104.044","0.001","90","","3325.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tris(2-nitrobenzylideneaminopropyl)amine-κ^4^N]copper(I) perchlorate","","- C30 H33 Cl Cu N7 O10 -","- C30 H33 Cl Cu N7 O10 -","- C120 H132 Cl4 Cu4 N28 O40 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0632","0.0395","","","0.0965","0.1115","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015627","6.0925","0.0004","8.644","0.0004","8.3575","0.0004","90","","90","","90","","440.14","0.04","133","2","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Chloro(diethylenetriamine)copper(II) chloride","","- C4 H13 Cl2 Cu N3 -","- C4 H13 Cl2 Cu N3 -","- C8 H26 Cl4 Cu2 N6 -","2","0.25","SQ3036","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure","Acta Crystallographica Section C","2006","62","10","m467","m468","10.1107/S0108270106034305","","","0.71073","MoKα","","","0.03","","","","0.0799","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015628","17.623","0.001","7.2451","0.0006","11.3957","0.0008","90","","90","","90","","1455.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","","- C22 H32 N2 O15 S2 Zn -","- C22 H32 N2 O15 S2 Zn -","- C44 H64 N4 O30 S4 Zn2 -","2","0.5","AV3042","Yu-Ling Wang","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","Acta Crystallographica Section C","2006","62","11","m522","m524","10.1107/S0108270106038844","","","0.71073","MoKα","","0.0351","0.0305","","","0.0705","0.0735","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015629","10.601","0.002","10.601","0.002","12.484","0.002","90","","90","","120","","1215","0.4","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichloromanganese(II)","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.015","","","","0.0365","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015630","10.5409","0.001","10.5409","0.001","12.303","0.002","90","","90","","120","","1183.9","0.2","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichlorocobalt(II)","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.0199","","","","0.0414","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015631","9.4288","0.0003","11.7262","0.0004","12.127","0.0005","86.196","0.001","77.29","0.001","77.697","0.001","1277.65","0.08","150","2","","","","","","","","","","4","P -1","-P 1","2","","iodotriphenylphosphonium pentaiodide","","- C18 H15 I6 P -","- C18 H15 I6 P -","- C36 H30 I12 P2 -","2","1","BC3017","Pritchard, Robin G.; Moreland, Lee","Solvent-free synthesis and crystal structure of (Ph~3~PI)I~5~, the third member in the series Ph~3~P(I~2~)~<i>n~</i> (<i>n</i> = 1, 2 and 3)","Acta Crystallographica Section C","2006","62","11","o656","o658","10.1107/S0108270106039825","","","0.71073","MoKα","","","0.0534","","","","0.1463","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015632","13.4646","0.0012","13.4646","0.0012","9.8777","0.0007","90","","90","","120","","1550.9","0.2","100","","100","","","","","","","","","5","P 61","P 61","169","","catena-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine- 4-carboxylato(2-)] 1.72-hydrate]","","- C5 H8 Co N2 O8.72 -","- C5 H8 Co N2 O8.72 -","- C30 H48 Co6 N12 O52.32 -","6","1","BG3013","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]","Acta Crystallographica Section C","2006","62","11","m513","m515","10.1107/S010827010603767X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0847","0.0866","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015633","12.8","0.002","16.565","0.003","14.895","0.002","90","","113.356","0.016","90","","2899.4","0.9","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","","- C28 H22 Cl Fe N8 O8 -","- C28 H22 Cl Fe N8 O8 -","- C112 H88 Cl4 Fe4 N32 O32 -","4","1","BG3019","Kooijman, Huub; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","Acta Crystallographica Section C","2006","62","11","m510","m512","10.1107/S0108270106037310","","","0.71073","MoKα","","0.0645","0.0385","","","0.0854","0.0947","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015634","17.3792","0.0013","7.8924","0.0006","18.6583","0.0014","90","","109.487","0.001","90","","2412.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κN){2-[bis(2-pyridethyl)amino]ethanol-κ^4^N,N',N'',O}zinc(II) bis(perchlorate) monohydrate","","- C18 H26 Cl2 N4 O10 Zn -","- C18 H26 Cl2 N4 O10 Zn -","- C72 H104 Cl8 N16 O40 Zn4 -","4","1","FA3036","Hong-Chang Liang; Marcel Hetu; Wheeler, Kraig A.; Lev N. Zhakorov; Arnold L. Rheingold","(Acetonitrile-κ<i>N</i>){2-[bis(2-pyridylethyl)amino]ethanol-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}zinc(II) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2006","62","11","m519","m521","10.1107/S0108270106037747","","","0.71073","MoKα","","0.0443","0.0367","","","0.0939","0.0982","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015635","5.4154","0.0005","9.8941","0.0008","11.4431","0.0012","90","","94.97","0.014","90","","610.82","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-(1,3-Anhydro-β-D-psicofuranosyl)adenine","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C22 H26 N10 O8 -","2","1","FA3039","Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning","9-(1,3-Anhydro-β-<small>D</small>-psicofuranosyl)adenine","Acta Crystallographica Section C","2006","62","11","o659","o660","10.1107/S0108270106037759","","","0.71073","MoKα","","0.0481","0.0413","","","0.1032","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015636","8.601","0.004","14.254","0.007","12.664","0.007","90","","98.854","0.005","90","","1534.1","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[μ-chloro-tetra-μ-acetamidato-κ4N:O;κ4O:N-dirhodium(II,III) methanol solvate]","","- C9 H20 Cl N4 O5 Rh2 -","- C9 H20 Cl N4 O5 Rh2 -","- C36 H80 Cl4 N16 O20 Rh8 -","4","1","FA3040","Ebihara, Masahiro; Fuma, Yasuhiro","A zigzag chain structure in <i>catena</i>-poly[[[tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-μ-chloro] methanol solvate]","Acta Crystallographica Section C","2006","62","11","m556","m558","10.1107/S0108270106040121","","","0.71069","MoKα","","0.0403","0.0343","","","0.0693","0.0712","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015637","5.2436","0.0002","11.6079","0.0005","28.9238","0.0011","90","","90","","90","","1760.51","0.12","295","2","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ca7.96 Cu0.04 Ge5 O18 -","- Ca7.959 Cu0.041 Ge5 O18 -","- Ca31.836 Cu0.164 Ge20 O72 -","4","0.5","FA3041","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units","Acta Crystallographica Section C","2006","62","11","i94","i96","10.1107/S010827010604176X","","","0.71073","MoKα","","","0.0222","","","","0.0587","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015638","18.671","0.004","7.7027","0.0015","14.002","0.003","90","","90.99","0.03","90","","2013.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","","- C16 H14 Ba Cl4 O8 -","- C16 H14 Ba Cl4 O8 -","- C64 H56 Ba4 Cl16 O32 -","4","1","FG3031","Hao, Xiao-Min; Gu, Chang-Sheng; Liu, Ji-Wei; Song, Wen-Dong","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","Acta Crystallographica Section C","2006","62","11","m516","m518","10.1107/S0108270106037565","","","0.71073","MoKα","","0.0536","0.049","","","0.1195","0.1231","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015639","9.9296","0.0001","9.9296","0.0001","34.0538","0.0006","90","","90","","90","","3357.6","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole‒ (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine (1/1)","","- C12 H24 N6 O6 -","- C12 H24 N6 O6 -","- C96 H192 N48 O48 -","8","1","GA3025","Beckmann, Udo; Brooker, Sally","1:1 Adduct of (<i>S</i>,<i>S</i>)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (<i>S</i>,<i>S</i>)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds","Acta Crystallographica Section C","2006","62","11","o653","o655","10.1107/S0108270106038583","","","0.71073","MoKα","","0.0354","0.0337","","","0.081","0.0818","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015640","9.0779","0.0008","9.1402","0.0009","15.3942","0.0013","85.74","0.007","82.209","0.007","64.386","0.007","1140.98","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","rac-(Z)-Ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","","- C9 H12 Br2 O3 -","- C9 H12 Br2 O3 -","- C36 H48 Br8 O12 -","4","2","GA3026","François Loiseau; Reinhard Neier; Gaël Labat; Helen Stoeckli-Evans","<i>rac</i>-(<i>Z</i>)-Ethyl 2-bromo-2-[(3<i>R</i>,5<i>R</i>)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","Acta Crystallographica Section C","2006","62","11","o636","o638","10.1107/S0108270106037127","","","0.71073","MoKα","","0.0664","0.04","","","0.0808","0.0881","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015641","11.6122","0.0008","12.1401","0.0009","13.659","0.0011","92.589","0.006","95.61","0.006","92.52","0.006","1912.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]dibromopalladium(II)","","- C42 H26 Br2 F10 N4 Pd -","- C42 H26 Br2 F10 N4 Pd -","- C84 H52 Br4 F20 N8 Pd2 -","2","1","GD3050","Aytaç Gürhan Gökçe; Gülcemal, Süleyman; Aygün, Muhittin; Çetinkaya, Bekir; Büyükgüngör, Orhan","<i>trans</i>-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]dibromopalladium(II)","Acta Crystallographica Section C","2006","62","11","m535","m537","10.1107/S0108270106039527","","","0.71073","MoKα","","0.1331","0.0591","","","0.0979","0.1192","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015642","8.9859","0.0002","9.8987","0.0002","13.7459","0.0003","100.297","0.002","102.114","0.002","114.051","0.001","1042.75","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C48 H44 Fe2 N8 O4 -","2","1","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.71073","MoKα","","0.0653","0.0455","","","0.093","0.1052","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015643","6.386","0.003","7.882","0.003","9.987","0.004","85.305","0.017","89.53","0.02","84.831","0.019","499","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","1","0.5","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.7107","MoKα","","0.0484","0.0414","","","0.0788","0.0819","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015644","9.715","0.002","9.745","0.002","13.868","0.002","91.21","0.004","102.457","0.003","108.561","0.004","1209.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","DDNU","1,1'-(ethenylidene)bis(4-chlorobenzene)","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C56 H40 Cl8 -","4","2","GZ3023","Jabbar, Md. Abdul; Aritome, Isao; Shimakoshi, Hisashi; Hisaeda,Yoshio","1,1'-(Ethenylidene)bis(4-chlorobenzene)","Acta Crystallographica Section C","2006","62","11","o663","o665","10.1107/S0108270106040753","","","0.71073","MoKα","","0.0925","0.0545","","","0.1348","0.1552","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015645","4.8154","0.0009","8.518","0.005","15.624","0.005","90","","90","","90","","640.9","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Valinol","(S)-(+)-2-Amino-3-methylbutan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C20 H52 N4 O4 -","4","1","GZ3028","Dittrich, Birger; Munshi, Parthapratim; Spackman, Mark A.","Invariom-model refinement of <small>L</small>-valinol","Acta Crystallographica Section C","2006","62","11","o633","o635","10.1107/S0108270106037358","","","0.7107","MoKα","","0.0394","0.0282","","","","0.0176","","","","","","1.7095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015646","10.602","0.003","26.834","0.007","12.489","0.003","90","0.005","102.77","0.02","90","0.005","3465.2","1.6","293","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(diphenylphosphinoethane)(4-nitrobenzonitrile)iron(II) iodide","","- C38 H33 Fe I N2 O2 P2 -","- C38 H33 Fe I N2 O2 P2 -","- C152 H132 Fe4 I4 N8 O8 P8 -","4","1","HJ3019","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Jacob, C.; Garcia, M. Helena","The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η^5^-cyclopentadienyl)iron(II) cations","Acta Crystallographica Section C","2006","62","11","m531","m534","10.1107/S0108270106038662","","","0.71069","MoKα","","","0.0706","","","","0.155","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015647","9.0543","0.001","17.884","0.002","10.3365","0.0012","90","","102.84","0.002","90","","1631.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","n","1-(4,6-diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","","- C15 H15 N5 O3 S -","- C15 H15 N5 O3 S -","- C60 H60 N20 O12 S4 -","4","1","HJ3022","Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi","1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section C","2006","62","11","o666","o668","10.1107/S0108270106041151","","","0.71073","MoKα","","0.105","0.0508","","","0.0679","0.0811","","","","","","0.876","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015648","12.849","0.003","10.672","0.002","6.4635","0.0013","90","","90","","90","","886.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium chromium niobium oxide phosphate","","- Cr0.5 K Nb0.5 O5 P -","- Cr0.5 K Nb0.5 O5 P -","- Cr4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","0.0504","0.0499","","","0.1141","0.1144","","","","","","1.242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015649","12.9675","0.0013","10.705","0.003","6.4638","0.0007","90","","90","","90","","897.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium iron niobium oxide phosphate","","- Fe0.5 K Nb0.5 O5 P -","- Fe0.5 K Nb0.5 O5 P -","- Fe4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","","0.0482","","","","0.1125","","","","","","1.326","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015650","16.4033","0.0011","16.4033","0.0011","15.7192","0.0012","90","","90","","90","","4229.5","0.5","296","","296","","","","","","","","","3","I 41/a :2","-I 4ad","88","","4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0608","0.0407","","","0.1056","0.1149","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015651","6.1062","0.0008","7.3981","0.0011","19.653","0.004","90","","90","","90","","887.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0438","0.0397","","","0.1042","0.1066","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015652","9.2775","0.0013","6.7213","0.0016","14.875","0.002","90","","94.614","0.011","90","","924.6","0.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","OB3021","Petar Todorov; Emilia Naydenova; Rosica Petrova; Boris Shivachev; Kolio Troev","[(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","Acta Crystallographica Section C","2006","62","11","o661","o662","10.1107/S0108270106041230","","","0.71073","MoKα","","0.1324","0.0668","","","0.1643","0.1918","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015653","10.117","0.002","15.951","0.003","9.858","0.002","90","","114.33","0.03","90","","1449.6","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II)","","- C24 H32 Cd N10 S2 -","- C24 H32 Cd N10 S2 -","- C48 H64 Cd2 N20 S4 -","2","0.5","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0335","0.0309","","","0.0644","0.0654","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015654","17.756","0.004","12.883","0.003","17.637","0.004","90","","110.44","0.03","90","","3780.5","1.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[di-μ-dicyanamidato-bis[bis(3,5-dimethylpyrazol-1- yl)methane]dicadmium(II)]-di-μ-dicyanamidato]","","- C30 H32 Cd2 N20 -","- C30 H32 Cd2 N20 -","- C120 H128 Cd8 N80 -","4","1","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0747","0.0582","","","0.1068","0.114","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015655","5.7381","0.0005","19.5148","0.0016","21.9735","0.0018","90","","90","","90","","2460.5","0.4","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-3-(Diphenylphosphino)-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol","","- C25 H31 O6 P -","- C25 H31 O6 P -","- C100 H124 O24 P4 -","4","1","RB3020","Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew","3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol","Acta Crystallographica Section C","2006","62","11","o650","o652","10.1107/S0108270106038522","","","0.71073","MoKα","","0.057","0.0319","","","0.0553","0.0585","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015656","12.3634","0.001","6.8031","0.0004","28.077","0.002","90","","90.306","0.007","90","","2361.5","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Cyclohexyl-2-[5-(4-pyridyl)-4-(p-tolyl)-4H-1,2,4-triazol-3- ylsulfanyl]acetamide dihydrate","","- C22 H29 N5 O3 S -","- C22 H29 N5 O3 S -","- C88 H116 N20 O12 S4 -","4","1","SF3017","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Keser, Tekin; Büyükgüngör, Orhan","<i>N</i>-Cyclohexyl-2-[5-(4-pyridyl)-4-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate","Acta Crystallographica Section C","2006","62","11","o639","o642","10.1107/S0108270106037930","","","0.71073","MoKα","","0.0597","0.0382","","","0.0999","0.1073","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015657","12.3796","0.0002","13.4467","0.0002","15.5757","0.0003","78.1094","0.0005","69.5983","0.0006","68.0862","0.0006","2245.96","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) nitrobenzene disolvate","","- C57 H40 N6 O7 Zn -","- C57 H40 N6 O7 Zn -","- C114 H80 N12 O14 Zn2 -","2","1","SF3019","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Hydrogen-bonded supramolecular arrays of aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) in crystals of its nitrobenzene disolvate","Acta Crystallographica Section C","2006","62","11","m538","m540","10.1107/S0108270106038996","","","0.71073","MoKα","","0.0923","0.0625","","","0.1607","0.1818","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015658","8.703","0.0015","8.5986","0.0015","9.4773","0.0016","90","","102.532","0.003","90","","692.3","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","","- C5 H8 O5 Zn -","- C5 H8 O5 Zn -","- C20 H32 O20 Zn4 -","4","1","SK3044","Guo, Ming-Lin; Zhao, Yong-Nan","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","Acta Crystallographica Section C","2006","62","11","m563","m565","10.1107/S0108270106041692","","","0.71073","MoKα","","0.0258","0.0215","","","0.0565","0.0592","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015659","8.5218","0.0006","14.0107","0.0011","17.4337","0.0014","99.743","0.007","99.712","0.007","105.197","0.007","1929.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","bis(μ~2~-aqua-d~2~)tetrakis(aqua-d~2~)dilithium(I) bis[bis(tri-tert-butoxysilanethiolato-κ^2^O,S)lithate(I)] dihydrate-d~2~","","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","1","0.5","SK3045","Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker","The first compound with an unusual type of anion, [Li(S<i>R</i>)~2~]^{‒^}: bis(μ~2~-aqua-<i>d</i>~2~)tetrakis(aqua-<i>d</i>~2~)dilithium(I) bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)lithate(I)] dihydrate-<i>d</i>~2~","Acta Crystallographica Section C","2006","62","11","m541","m544","10.1107/S0108270106041746","","","0.71073","MoKα","","0.051","0.0475","","","0.1164","0.1196","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015660","8.4443","0.0002","18.0873","0.0004","15.9154","0.0003","90","","90.333","0.0009","90","","2430.79","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly-[tetrakis(μ-acetato-<i>O</i>,<i>O</i>')- μ-1,3-bis(dimethylamino)-2-propanol-<i>N</i>,<i>N</i>'-dirhodium(II) tetrahydrofuran hemisolvate]","","- C17 H34 N2 O9.5 Rh2 -","- C17 H34 N2 O9.5 Rh2 -","- C68 H136 N8 O38 Rh8 -","4","1","SK3054","Pevec, Andrej; Alojz Demšar; Aoki, Katsuyuki; Turel, Iztok","<i>catena</i>-Poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dirhodium(II)]-μ-[1,3-bis(dimethylamino)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']] tetrahydrofuran hemisolvate]","Acta Crystallographica Section C","2006","62","11","m545","m547","10.1107/S0108270106040972","","","0.71073","MoKα","","0.0661","0.0375","","","0.0692","0.0781","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015661","8.3437","0.0012","19.848","0.002","14.028","0.002","90","","120.685","0.01","90","","1997.8","0.5","150","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","","- C12 H26 Cl2 F6 Fe N4 P -","- C12 H26 Cl2 F6 Fe N4 P -","- C48 H104 Cl8 F24 Fe4 N16 P4 -","4","1","SK3055","McClain II, James M.; Maples, Danny L.; Maples, Randall D.; Matz, Dallas L.; Harris, Sebastian M.; Nelson, Andrew D. L.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","Acta Crystallographica Section C","2006","62","11","m553","m555","10.1107/S0108270106040765","","","0.71073","MoKα","","","0.0408","","","","0.1167","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015662","21.969","0.0006","9.2901","0.0007","7.9642","0.0002","90","","106.216","0.002","90","","1560.78","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Nitrophenylacetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","SK3059","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrophenylacetic acid: a three-dimensional hydrogen-bonded framework structure containing substructures in zero, one and two dimensions","Acta Crystallographica Section C","2006","62","11","o647","o649","10.1107/S0108270106039205","","","0.71073","MoKα","","0.054","0.0387","","","0.0987","0.1075","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015663","17.14","0.003","13.93","0.003","11.95","0.002","90","","109","0.03","90","","2697.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diiodozinc(II)-<i>μ</i>-4,4'-bipyridine-<i>k</i>^2^ <i>N</i>:<i>N</i>']","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C80 H64 I16 N16 Zn8 -","8","2","SK3060","Le-Qing Fan; Ji-Huai Wu","<i>catena</i>-Poly[[diiodozinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2006","62","11","m548","m549","10.1107/S0108270106039965","","","0.71073","MoKα","","0.0608","0.0416","","","0.1216","0.1353","","","","","","1.036","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2015664","7.977","0.003","10.099","0.003","15.21","0.005","90","","104.075","0.011","90","","1188.5","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","propane-1,3-diammonium tetravanadate","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","0.5","SK3063","Nicholas F. Stephens; Philip Lightfoot","A second polymorph of [H~3~N(CH~2~)~3~NH~3~][V~4~O~10~]","Acta Crystallographica Section C","2006","62","11","m566","m568","10.1107/S0108270106040777","","","0.71073","MoKα","","0.0279","0.0246","","","0.0575","0.0594","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015665","7.3955","0.0002","11.239","0.0003","11.7463","0.0003","104.505","0.001","106.052","0.001","95.888","0.001","892.73","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","tetrakis(3-aminopyridine)dichloro-bis(methanol)-μ2-suberato-dicobalt(II)","","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","1","0.5","SK3064","Lah, Nina; Leban, Ivan","A dimeric cobalt(II)‒suberate complex with 3-aminopyridine","Acta Crystallographica Section C","2006","62","11","m550","m552","10.1107/S0108270106040935","","","0.71069","MoKα","","0.0378","0.0308","","","0.0694","0.0724","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015666","6.9781","0.0006","12.7118","0.0013","14.1568","0.0014","90","","91.206","0.002","90","","1255.5","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridinium poly[tetrachloromanganate(II)]","catena-Poly[4,4'-bipyridinium [[dichloromanganese(II)]-di-μ-chloro]]","","- C10 H10 Cl4 Mn N2 -","- C5 H5 Cl2 Mn0.5 N -","- C40 H40 Cl16 Mn4 N8 -","8","1","SQ3038","Li, Ming-Xue; Li, Su-Zhi","<i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium","Acta Crystallographica Section C","2006","62","11","m525","m526","10.1107/S0108270106038108","","","0.71073","MoKα","","0.0154","0.0151","","","0.0439","0.0441","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015667","10.8944","0.0003","10.676","0.0003","11.0496","0.0003","90","","106.86","0.001","90","","1229.92","0.06","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachloronitrato(2,2'-bipyridyl)copper(II)","","- C10 H10 Cl Cu N3 O4 -","- C10 H10 Cl Cu N3 O4 -","- C40 H40 Cl4 Cu4 N12 O16 -","4","1","AV3035","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(2,2'-bipyridyl)chloronitratocopper(II)","Acta Crystallographica Section C","2006","62","12","m574","m576","10.1107/S0108270106039734","","","0.71073","MoKα","","0.027","0.024","","","0.065","0.0664","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015668","10.531","0.005","10.274","0.006","11.012","0.005","90","","102.654","0.015","90","","1162.5","1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(O-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^N,N')copper(II)","","- C18 H24 Cl4 Cu2 N4 O2 -","- C18 H24 Cl4 Cu2 N4 O2 -","- C36 H48 Cl8 Cu4 N8 O4 -","2","0.5","AV3037","Ri-Cheng Xuan; Min Xu; Dong-Ping Cheng","Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m587","m589","10.1107/S0108270106041916","","","0.71073","MoKα","","","0.0229","","","","0.0582","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015669","7.8564","0.0008","7.9812","0.0008","10.1367","0.001","90","","111.862","0.005","90","","589.9","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-3-Oxocyclopentanecarboxylic acid","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","AV3038","Malak, Muhammad H.; Baker, Daniel; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-3-Oxocyclopentanecarboxylic acid: the smallest keto acid known to aggregate by catemeric hydrogen bonding","Acta Crystallographica Section C","2006","62","12","o669","o670","10.1107/S0108270106041369","","","1.54178","CuKα","","0.038","0.037","","","0.092","0.093","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015670","12.952","0.003","14.489","0.003","4.5851","0.001","90","","90","","90","","860.4","0.3","173","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","catena-poly[p-phenylenediammonium [[diiodolead(II)]-di-μ-iodo] dihydrate]","","- C6 H14 I4 N2 O2 Pb -","- C6 H14 I4 N2 O2 Pb -","- C12 H28 I8 N4 O4 Pb2 -","2","0.25","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0319","","","","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015671","30.1215","0.0019","4.6111","0.0003","20.4599","0.0012","90","","122.725","0.003","90","","2390.7","0.3","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[bis(3,5-dimethylanilinium) [[diiodolead(II)]-di-μ-iodo]]","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","0.5","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0238","","","","0.0503","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015672","29.641","0.0003","7.4132","0.0001","10.5656","0.0002","90","","92.109","0.001","90","","2320.06","0.06","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^O,O')copper(II)","","- C28 H26 Cu Fe2 O4 -","- C28 H26 Cu Fe2 O4 -","- C112 H104 Cu4 Fe8 O16 -","4","0.5","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0398","0.0324","","","0.0946","0.0998","","","","","","1.214","","","","has coordinates,has Fobs","208246","2020-10-21","18:00:00",""
"2015673","11.9182","0.0002","12.8881","0.0001","12.9097","0.0001","89.67","0.001","78.617","0.001","76.987","0.001","1892.49","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-diferrocenylpropane-1,3-dionateo-κ^2^O,O')copper(II)","","- C46 H38 Cu Fe4 O4 -","- C46 H38 Cu Fe4 O4 -","- C92 H76 Cu2 Fe8 O8 -","2","1","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0696","0.0479","","","0.1142","0.1265","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2015674","6.7039","0.0009","6.7039","0.0009","17.065","0.003","90","","90","","90","","766.9","0.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Tetrapotassium cerium(IV) zirconium tetrakis(monophosphate)","","- Ce K4 O16 P4 Zr -","- Ce1.018 K4 O16 P4 Zr0.986 -","- Ce2.036 K8 O32 P8 Zr1.972 -","2","0.0625","BC3019","Ogorodnyk, Ivan V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","A disordered cerium(IV) phosphate with a tunnel structure, K~4~CeZr(PO~4~)~4~","Acta Crystallographica Section C","2006","62","12","i100","i102","10.1107/S0108270106044519","","","0.71073","MoKα","","0.0337","0.0294","","","0.0785","0.0795","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015675","7.862","0.002","8.088","0.002","13.503","0.004","90","","90","","90","","858.6","0.4","93","2","93","2","","","","","","","","4","P m c n","-P 2n 2a","62","","Ammonium scandium tetrafluoride","","- F4 H4 N Sc -","- F4 H4 N Sc -","- F32 H32 N8 Sc8 -","8","1","BC3020","Nicholas F. Stephens; Philip Lightfoot","Ammonium scandium tetrafluoride","Acta Crystallographica Section C","2006","62","12","i103","i105","10.1107/S0108270106044520","","","0.71073","MoKα","","0.0435","0.0281","","","0.0908","0.1022","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015676","11.645","0.0002","15.149","0.0002","15.194","0.0002","90","","90","","90","","2680.38","0.07","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato- κ^2^O,O')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","","- C26 H34 Cd N2 O10 -","- C26 H34 Cd N2 O10 -","- C104 H136 Cd4 N8 O40 -","4","0.5","BG3020","E Yang; Rong-Qiang Zhuang; Jian-Xin Chen","<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","Acta Crystallographica Section C","2006","62","12","m612","m613","10.1107/S0108270106046038","","","0.71073","MoKα","","","0.0221","","","0.0663","0.0667","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015677","7.0301","0.0014","15.707","0.003","6.968","0.0014","90","","101.77","0.03","90","","753.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","","- C5 H4 N2 O5 Pb -","- C5 H4 N2 O5 Pb -","- C20 H16 N8 O20 Pb4 -","4","1","BG3021","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A three-dimensional lead(II) coordination polymer: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","Acta Crystallographica Section C","2006","62","12","m617","m619","10.1107/S0108270106046415","","","0.71073","MoKα","","0.0211","0.0198","","","0.0484","0.0492","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015678","5.9642","0.0019","11.715","0.004","10.853","0.004","90","","104.817","0.004","90","","733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]manganese(II)","","- C10 H10 Mn N12 O2 -","- C10 H10 Mn N12 O2 -","- C20 H20 Mn2 N24 O4 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0494","0.0448","","","0.1172","0.1204","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015679","6.0906","0.0018","11.456","0.003","10.686","0.003","90","","105.634","0.004","90","","718","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]zinc(II)","","- C10 H10 N12 O2 Zn -","- C10 H10 N12 O2 Zn -","- C20 H20 N24 O4 Zn2 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0328","0.0272","","","0.07","0.0714","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015680","12.767","0.005","14.095","0.005","15.967","0.005","96.122","0.005","91.784","0.005","94.944","0.005","2843.9","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2- carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","","- C58 H52 Cl2 Cr N3 O7 Sn2 -","- C58 H49 Cl2 Cr N3 O7 Sn2 -","- C116 H98 Cl4 Cr2 N6 O14 Sn4 -","2","1","FA3038","Guo-Hai Xu; Jian-Fang Ma; Ying-Ying Liu; Shun-Li Li","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","Acta Crystallographica Section C","2006","62","12","m581","m583","10.1107/S0108270106043484","","","0.71069","MoKα","","0.0506","0.0325","","","0.0659","0.0696","","","","","","0.881","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015681","8.8511","0.0001","28.6847","0.0004","11.9607","0.0002","90","","109.958","0.0006","90","","2854.34","0.07","295","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","tetrakis[hexaamminecobalt(III)] hexachlorodadmate(II) bis[aquatetrachlorothiocyanatocadmate(II)] dichloride dihydrate","","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C4 H160 Cd6 Cl32 Co8 N52 O8 S4 -","2","0.5","FA3042","Bala, Ritu; Sharma, Raj Pal; Sharma, Upendra; Ferretti, Valeria","The first X-ray structure of a hexaamminecobalt(III) salt with two different complex chlorocadmium anions: synthesis, characterization and crystal structure of [Co(NH~3~)~6~]~4~[CdCl~6~][CdCl~4~(SCN)(H~2~O)]~2~Cl~2~·2H~2~O","Acta Crystallographica Section C","2006","62","12","m628","m631","10.1107/S0108270106044398","","","0.71073","MoKα","","0.0501","0.038","","","0.0785","0.0825","","","","","","1.045","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2015682","4.632","0.001","16.456","0.005","11.483","0.003","90","","98.57","0.03","90","","865.5","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(3-acetylpyridine-κN)diiodoplatinum(II)","","- C14 H14 I2 N2 O2 Pt -","- C14 H14 I2 N2 O2 Pt -","- C28 H28 I4 N4 O4 Pt2 -","2","0.5","FA3046","Christian Tessier; Fernande D. Rochon","<i>trans</i>-Bis(3-acetylpyridine-κ<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2006","62","12","m620","m622","10.1107/S0108270106045197","","","0.71073","MoKα","","0.0568","0.0348","","","0.0706","0.0775","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015683","5.3573","0.0008","18.296","0.003","27.041","0.005","90","","90.753","0.008","90","","2650.3","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-(1,10-decamethylenedithio)TTF","2,7-Bis(2-cyanoethylsulfanyl)-3,6-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.1407","0.0539","","","0.0962","0.1153","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015684","7.8916","0.0004","26.1798","0.0016","12.9931","0.0008","90","","100.576","0.002","90","","2638.8","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-(1,10-decamethylenedithio)TTF","2,6-bis(2-cyanoethylsulfanyl)-3,7-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.0765","0.0391","","","0.0887","0.0992","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015685","10.4324","0.0008","7.5565","0.0005","18.9837","0.0015","90","","102.641","0.007","90","","1460.26","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Methyl-1'-carboxy-1-ferrocenebutyrate","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","","- C16 H18 Fe O4 -","- C16 H18 Fe O4 -","- C64 H72 Fe4 O16 -","4","1","FA3052","Pavlović, Gordana; Barišić, Lidija; Čakić Semenčić, Mojca; Rapić, Vladimir","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","Acta Crystallographica Section C","2006","62","12","m610","m611","10.1107/S0108270106044490","","","0.71073","MoKα","","0.0422","0.0412","","","0.0892","0.0899","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015686","12.107","0.002","11.05","0.002","14.627","0.003","90","","92.42","0.03","90","","1955.1","0.6","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bba-py","7,7-dimethyl-7,8-dihydro-5H-dibenzo[e,i][1,4,8] triazacycloundecine-6,9,15(14H)-trione pyridine solvate","","- C23 H22 N4 O3 -","- C23 H22 N4 O3 -","- C92 H88 N16 O12 -","4","1","GA3020","Morris, James C.; Gordon-Wylie, Scott W.; Clark, George R.","7,7-Dimethyl-5<i>H</i>-dibenzo[<i>e</i>,<i>i</i>][1,4,8]triazacycloundecine-6,9,15(7<i>H</i>,8<i>H</i>,14<i>H</i>)-trione pyridine solvate","Acta Crystallographica Section C","2006","62","12","o674","o676","10.1107/S0108270106041242","","","0.71073","MoKα","","0.0496","0.0389","","","0.0935","0.0999","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015687","8.5002","0.0005","17.6318","0.001","18.2158","0.001","90","","97.744","0.001","90","","2705.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Donepezilium oxalate trihydrate","(R,S)-1-benzyl-4[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl] piperidinium hydrogen oxalate trihydrate","","- C26 H37 N O10 -","- C26 H37 N O10 -","- C104 H148 N4 O40 -","4","1","GA3028","K. Ravikumar; B. Sridhar; D. G. Sathe; A. V. Naidu; K. D. Sawant","Donepezilium oxalate trihydrate, a therapeutic agent for Alzheimer's disease","Acta Crystallographica Section C","2006","62","12","o681","o683","10.1107/S0108270106041187","","","0.71073","MoKα","","0.0511","0.043","","","0.1144","0.1216","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015688","9.5353","0.0006","10.2071","0.0006","20.7901","0.0012","79.198","0.001","79.645","0.001","78.257","0.001","1924.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","2","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0673","0.0534","","","0.1311","0.1413","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015689","5.1109","0.0009","9.5564","0.0016","20.503","0.003","97.594","0.003","93.371","0.003","101.755","0.003","968","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C44 H38 N6 O4 S2 -","2","1","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0867","0.0673","","","0.1517","0.161","","","","","","1.282","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015690","7.9342","0.001","25.491","0.003","12.6874","0.0008","90","","97.639","0.008","90","","2543.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(thiazolidine-2-thione-κS^2^)gold(I) bis(4-chlorobenzenesulfonyl)amidate","","- C18 H18 Au Cl2 N3 O4 S6 -","- C18 H18 Au Cl2 N3 O4 S6 -","- C72 H72 Au4 Cl8 N12 O16 S24 -","4","1","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0561","0.0277","","","0.0486","0.0526","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015691","17.4002","0.0014","10.1254","0.001","17.1493","0.0018","90","","111.596","0.008","90","","2809.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(1-methylimidazolidine-2-thione-κS^2^)gold(I) bis(4-iodobenzenesulfonyl)amidate","","- C20 H24 Au I2 N5 O4 S4 -","- C20 H24 Au I2 N5 O4 S4 -","- C80 H96 Au4 I8 N20 O16 S16 -","4","0.5","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0412","0.0261","","","0.0448","0.0474","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015692","5.8327","0.0002","7.0099","0.0009","17.8751","0.0004","90","","94.59","0.1","90","","728.51","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒4-nitrophenol (1/1)","(2S)-2-ammonio-3-phenylpropanoate‒4-nitrophenol (1/1)","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","GD3062","Rodrigues, V. H.; Costa, M. M. R. R.; Matos Gomes, E. de; Nogueira, E.; Belslsey, M. S","<small>L</small>-Phenylalanine‒4-nitrophenol (1/1)","Acta Crystallographica Section C","2006","62","12","o699","o701","10.1107/S0108270106049018","","","1.54184","CuKα","","0.0486","0.0423","","","0.1226","0.1397","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015693","8.371","0.001","9.351","0.001","29.554","0.003","90","","90","","90","","2313.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{4(S)-(Piperidin-1-ylcarbonyl)-4-[3- (trifluoromethyl)benzenesulfonamido]butyl}guanidinium chloride","","- C18 H27 Cl F3 N5 O3 S -","- C18 H27 Cl F3 N5 O3 S -","- C72 H108 Cl4 F12 N20 O12 S4 -","4","1","GG3050","Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand-Brynaert, Jacqueline; Wouters, Johan","{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor","Acta Crystallographica Section C","2006","62","12","o691","o693","10.1107/S0108270106047640","","","1.54178","CuKα","","0.0492","0.0459","","","0.1289","0.1324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015694","7.853","0.0014","8.8695","0.0016","10.7901","0.0019","68.759","0.002","71.741","0.002","77.434","0.002","660.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-chloro-1:2κ^4^Cl;1:3κ^4^Cl-dimethyl-2κC,3κC- tetrakis(tetrahydrofuran)-1κ^2^O,2κO,3κO-chromium(II)dizinc(II)","","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","1","0.5","GZ3045","Kreisel, Kevin A.; Yap, Glenn P. A.; Theopold, Klaus H.","Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-dimethyl-2κ<i>C</i>,3κ<i>C</i>-tetrakis(tetrahydrofuran)-1κ^2^<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-chromium(II)dizinc(II)","Acta Crystallographica Section C","2006","62","12","m569","m570","10.1107/S0108270106041783","","","0.71073","MoKα","","0.0239","0.0226","","","0.0581","0.0592","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015695","7.6342","0.0003","25.7404","0.001","7.2444","0.0003","90","","100.857","0.003","90","","1398.1","0.1","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-3-pyridylboronic acid","(2-Methoxy-3-pyridyl)boronic acid","","- C6 H8 B N O3 -","- C6 H8 B N O3 -","- C48 H64 B8 N8 O24 -","8","2","HJ3025","Dabrowski, Marek; Lulinski, Sergiusz; Serwatowski, Janusz; Szczerbinska, Magdalena","(2-Methoxy-3-pyridyl)boronic acid","Acta Crystallographica Section C","2006","62","12","o702","o704","10.1107/S0108270106048268","","","0.71073","MoKα","","0.0349","0.03","","","0.0885","0.0902","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015696","5.399","0.001","12.179","0.002","6.852","0.001","90","","106.37","0.03","90","","432.28","0.14","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","barium yttrium silicate","barium diyttrium triscilicate","","- Ba O10 Si3 Y2 -","- Ba O10 Si3 Y2 -","- Ba2 O20 Si6 Y4 -","2","0.5","IZ3015","Kolitsch, Uwe; Wierzbicka, Maria; Tillmanns, Ekkehart","BaY~2~Si~3~O~10~: a new flux-grown trisilicate","Acta Crystallographica Section C","2006","62","12","i97","i99","10.1107/S010827010604203X","","","0.71073","MoKα","","0.017","0.0159","","","0.0399","0.0403","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015697","13.7572","0.001","17.8992","0.0013","18.873","0.0014","88.043","0.001","72.829","0.001","75.128","0.001","4287.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis[tris(2,2'-bipyridine)iron(II)] tetraaquatetra-μ~4~oxo-pentacosa-μ~2~oxo-undecaoxoiron(III)dodecatungsten(VI) dihydrate","","- C60 H60 Fe3 N12 Na O46 W12 -","- C60 H48 Fe3 N12 Na O46 W12 -","- C120 H96 Fe6 N24 Na2 O92 W24 -","2","1","LN3017","Li, Ming-Xue; Ma, Peng-Tao; Wang, Jing-Ping","Bis[tris(2,2'-bipyridine)iron(II)] tetraaquasodium(I) dodecatungstoferrate(III) dihydrate","Acta Crystallographica Section C","2006","62","12","m604","m606","10.1107/S0108270106042508","","","0.71073","MoKα","","0.0721","0.0436","","","0.0857","0.095","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015698","7.852","0.002","20.795","0.002","9.987","0.003","90","","106.684","0.004","90","","1562.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4,4'-H2bipy)(CdBr4)","4,4'-Bipyridinium tetrabromocadmate(II)","","- C10 H10 Br4 Cd N2 -","- C10 H10 Br4 Cd N2 -","- C40 H40 Br16 Cd4 N8 -","4","1","LN3023","Wen-Tong Chen; Xi-Rui Zeng; Xiao-Niu Fang; Xin-Fa Li; Han-Mao Kuang","4,4'-Bipyridinium tetrabromocadmate(II) with strong fluorescence","Acta Crystallographica Section C","2006","62","12","m571","m573","10.1107/S010827010604131X","","","0.71073","MoKα","","0.081","0.0514","","","0.1232","0.137","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015699","6.8117","0.0004","7.4177","0.0004","8.6722","0.0004","109.167","0.002","105.528","0.003","103.121","0.003","374.15","0.04","295","","293","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[di-μ-chloro-κ^2^1:2-μ-1,5-dimethyl-1H-tetrazole- κ^2^N^3^:N^4^]copper(II)]","","- C3 H6 Cl2 Cu N4 -","- C3 H6 Cl2 Cu N4 -","- C6 H12 Cl4 Cu2 N8 -","2","1","LN3024","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Oleg A.; Tiutiunnikov, Sergey I.; Efimov, Vadim V.","An X-ray powder investigation of <i>catena</i>-poly[copper(II)-di-μ-chloro-κ^4^1:2<i>Cl</i>-μ-1,5-dimethyl-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^]","Acta Crystallographica Section C","2006","62","12","m607","m609","10.1107/S0108270106043125","","","1.79021","CoKα","","","","","","","","","","0.76","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015700","14.786","0.004","15.816","0.004","13.879","0.003","98.15","0.02","109.047","0.019","114.12","0.02","2653.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","μ-[1,4-phenylenebis(phenylmethylidene-κC)]bis[(ethanol-κO)(5,10,15,20- tetra-p-tolylporphyrinato-κ^4^N)ruthenium(II)] 1,2-dichloroethane trisolvate","","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","1","0.5","MY3011","Yuge, Hidetaka; Miyamoto, Takeshi Ken; Kikuchi, Tomofumi; Iwasaki, Yukihiro","The first metalloporphyrin dimer linked by a bridging phenylenedicarbene ligand","Acta Crystallographica Section C","2006","62","12","m594","m596","10.1107/S0108270106043472","","","0.71069","MoKα","","0.1029","0.0482","","","0.1186","0.1405","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015701","7.2409","0.0001","9.6351","0.0002","11.438","0.00001","87.815","0.001","71.7","0.001","74.844","0.001","730.44","0.019","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(di-2-pyridylamine-κ^2^N,N')(malonato-κ^2^O,O')copper(II) monohydrate","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C26 H30 Cu2 N6 O12 -","2","1","SF3018","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","2006","62","12","m602","m603","10.1107/S0108270106042867","","","0.71073","MoKα","","0.0398","0.0342","","","0.0982","0.1013","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015702","7.2546","0.0006","9.4922","0.0008","19.4571","0.0016","90","","90","","90","","1339.86","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolinium hydrogen L-(+)-tartrate monohydrate","quinolinium hydrogen (2R),3R)-tartrate monohydrate","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0391","0.0354","","","0.0855","0.0879","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015703","4.973","0.0012","10.446","0.003","11.655","0.004","100.95","0.005","98.903","0.006","106.388","0.005","556.2","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","quinaldic acid-L-(+)-tartaric acid (2/1)","bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid","","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","1","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0422","0.0415","","","0.1046","0.1051","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015704","11.8781","0.0018","7.2993","0.001","16.088","0.002","90","","96.353","0.005","90","","1386.3","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-ferrocenyl-5-methyl-1H-pyrazole","","- C16 H16 Fe N2 O -","- C16 H16 Fe N2 O -","- C64 H64 Fe4 N8 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.7107","MoKα","","0.0371","0.034","","","0.0766","0.0784","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015705","7.479","0.0015","8.929","0.0018","24.942","0.003","90","","94.84","0.03","90","","1659.7","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-5-ferrocenyl-3-(2-pyridyl)-1H-pyrazole","","- C20 H17 Fe N3 O -","- C20 H17 Fe N3 O -","- C80 H68 Fe4 N12 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.71073","MoKα","","0.0666","0.0461","","","0.0997","0.109","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015706","4.7858","0.0007","9.2295","0.0015","25.447","0.003","87.469","0.012","89.288","0.011","89.931","0.012","1122.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-3-(3-oxobutyl)-naphthalene-1,4-dione","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SK3066","Nasiri, Hamid Reza; Madej, M. Gregor; Lancaster, C. Roy D.; Schwalbe, Harald; Bolte, Michael","2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione","Acta Crystallographica Section C","2006","62","12","o671","o673","10.1107/S0108270106042211","","","0.71073","MoKα","","0.1123","0.0873","","","0.2544","0.2819","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015707","5.8107","0.0002","13.6635","0.0003","15.4507","0.0005","90","","90","","90","","1226.7","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-threo-3-hydroxy-1,2-diphenylpropionic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK3072","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","2,3-Diaryl-3-hydroxypropionic acid intermediates in the synthesis of <i>threo</i> forms of 1,2-diaryl-1,3-propanediols","Acta Crystallographica Section C","2006","62","12","o684","o686","10.1107/S0108270106046026","","","0.71073","MoKα","","0.0472","0.0354","","","0.0812","0.0891","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015708","8.1558","0.0005","8.1558","0.0005","26.171","0.004","90","","90","","120","","1507.6","0.3","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","zinc hydrogen borate oxide","zinc hydrogen borate oxide","","- B3 H O11 Zn6 -","- B3 H O11 Zn6 -","- B18 H6 O66 Zn36 -","6","0.166667","SQ3040","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","Proton-stabilized three-dimensional anionic framework in H[Zn~6~O~2~(BO~3~)~3~]","Acta Crystallographica Section C","2006","62","12","i106","i108","10.1107/S0108270106041023","","","0.71073","MoKα","","0.0207","0.0193","","","0.0432","0.0435","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015709","10.023","0.003","13.084","0.003","12.317","0.003","90","","102.328","0.004","90","","1578","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-N,N'-Bis[3-(dimethylamino)propyl]oxamidato(2-)- κ^6^N,N',O':N'',N''',O}bis[(1H-imidazole-κN^3^)(methanol-κO)copper(II)] bis(perchlorate)","","- C20 H40 Cl2 Cu2 N8 O12 -","- C20 H40 Cl2 Cu2 N8 O12 -","- C40 H80 Cl4 Cu4 N16 O24 -","2","0.5","SQ3043","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song; Man Jiang","{μ-<i>N</i>,<i>N</i>'-Bis[3-(dimethylamino)propyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)(methanol-κ<i>O</i>)copper(II)] bis(perchlorate)","Acta Crystallographica Section C","2006","62","12","m584","m586","10.1107/S0108270106042624","","","0.71073","MoKα","","0.0758","0.0446","","","0.1017","0.1173","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015710","6.001","0.002","13.91","0.003","15.862","0.003","90","","94.989","0.005","90","","1319","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0707","0.0454","","","0.1129","0.1284","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015711","8.273","0.002","9.313","0.002","13.881","0.003","73.376","0.007","82.308","0.006","72.856","0.007","977.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile acetonitrile solvate","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C44 H38 N6 O4 -","2","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0639","0.0435","","","0.1176","0.1326","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015712","5.6035","0.0011","8.9812","0.0018","12.119","0.002","86.31","0.03","77.38","0.03","77.56","0.03","581.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] 1,5-naphthalenedisulfonate]","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","SQ3048","Kong, Li-Li; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] naphthalene-1,5-disulfonate]","Acta Crystallographica Section C","2006","62","12","m632","m634","10.1107/S0108270106046944","","","0.71073","MoKα","","0.0209","0.0193","","","0.0522","0.0528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015713","7.925","0.003","17.144","0.008","9.231","0.005","90","","104.53","0.05","90","","1214.1","1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 Cu K N2 O4 -","- C11 Cu K N2 O4 -","- C44 Cu4 K4 N8 O16 -","4","1","GE0118","Kettmann, V.; Krätsmár-Smogrovic, J.; Svajlenová, O.","Structure of potassium isocyanato[<i>N</i>-salicylidene-<small>DL</small>-alaninato(2-)]cuprate(II)","Acta Crystallographica Section C","1990","46","6","1119","1121","10.1107/S0108270189014277","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015714","14.788","0.003","8.7717","0.0013","17.5559","0.0019","90","","114.833","","90","","2066.7","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","MU0107","Stavropoulos, G.; Papaioannou, D.; Karagiannis, K.; Vlassi, M.; Nastopoulos, V.","Structure of <i>cis</i>-4-hydroxy-<i>N</i>-triphenylmethyl-<small>L</small>-proline methyl ester","Acta Crystallographica Section C","1990","46","8","1461","1464","10.1107/S0108270189012084","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015715","10.6001","0.0007","6.1847","0.0001","16.9227","0.0004","90","","98.04","0.003","90","","1098.52","0.08","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 F N2 O4 -","- C10 H13 F N2 O4 -","- C40 H52 F4 N8 O16 -","4","2","GE0136","Everaert, D. H.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.; Van Aerschot, A.; Herdewijn, P.","Structure of a nucleoside analogue, 3'-deoxy-2'-fluorothymidine","Acta Crystallographica Section C","1990","46","10","1934","1936","10.1107/S0108270190004152","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015716","6.494","0.002","7.821","0.002","5.345","0.002","90","","114.31","0.02","90","","247.4","0.14","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C4 H5 N3 -","- C4 H5 N3 -","- C8 H10 N6 -","2","1","AS0365","Kaida, S.; Minemoto, H.; Shimizu, T.; Sonoda, N.; Miki, K.; Kasai, N.","Structure of iminodiacetonitrile","Acta Crystallographica Section C","1990","46","11","2269","2270","10.1107/S0108270190005248","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2015717","13.193","0.003","13.982","0.003","20.193","0.004","90","","91.36","0.03","90","","3723.8","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaqua-1κ^3^O,2κ^4^O,3κ^3^O-bis(benzene-1,3,5-tricarboxylato)- 1κO,3κO-di-μ-4,4'-bipyridine-1:2κ^2^N:N';2:3κ^2^N:N'-di-4,4'-bipyridine- 1κN,3κN-tricobalt(II) 4,4'-bipyridine solvate octahydrate","","- C68 H82 Co3 N10 O30 -","- C68 H82 Co3 N10 O30 -","- C136 H164 Co6 N20 O60 -","2","0.5","AV3039","Hong-Zhen Xie; Zhi-Feng Li; Yue-Qing Zheng","A new trinuclear cobalt(II) complex: decaaqua-1κ^3^<i>O</i>,2κ^4^<i>O</i>,3κ^3^<i>O</i>-bis(benzene-1,3,5-tricarboxylato)-1κ<i>O</i>,3κ<i>O</i>-di-μ-4,4'-bipyridine-1:2κ^2^<i>N</i>:<i>N</i>';2:3κ^2^<i>N</i>:<i>N</i>'-di-4,4'-bipyridine-1κ<i>N</i>,3κ<i>N</i>-tricobalt(II) 4,4'-bipyridine solvate octahydrate","Acta Crystallographica Section C","2007","63","1","m30","m32","10.1107/S0108270106044726","","","0.71073","MoKα","","0.1468","0.0642","","","0.1249","0.1543","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015718","12.823","0.003","8.28","0.0017","16.776","0.003","90","","101.53","0.03","90","","1745.2","0.7","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[μ-4,4'-bipyridine-μ~3~-pyridine,2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]","","- C18 H12 Cu2 N3 O7 -","- C18 H12 Cu2 N3 O7 -","- C72 H48 Cu8 N12 O28 -","4","1","AV3040","You-Ren Dong; Xian-Wen Wang; Yue-Qing Zheng","A novel mixed-valence copper complex, poly[[μ~2~-4,4'-bipyridine-μ~3~-pyridine-2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]","Acta Crystallographica Section C","2007","63","1","m19","m21","10.1107/S0108270106044751","","","0.71073","MoKα","","0.2079","0.056","","","0.082","0.1157","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015719","7.5109","0.0012","11.9244","0.0017","8.1794","0.0012","90","","98.405","0.013","90","","724.7","0.19","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione dihydrate","","- C3 H7 N3 O8 -","- C3 H7 N3 O8 -","- C12 H28 N12 O32 -","4","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0369","0.0335","","","0.0854","0.0881","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015720","7.765","0.002","12.139","0.003","12.783","0.003","66.36","0.02","76.78","0.02","82.79","0.02","1073.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-benzyloxy-1,3,5-triazinane-2,4,6-trione","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C48 H42 N6 O12 -","2","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0722","0.0545","","","0.1441","0.1669","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015721","8.17","0.0012","8.9036","0.0013","15.279","0.002","100.828","0.002","90.935","0.002","104.581","0.002","1054.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitro-1,2-benzenedicarboxylato) -κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:\ <i>O</i>^2^,<i>O</i>^1^ -bis[triaqua(3-nitro-2-carboxybenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate","","- C32 H30 La2 N4 O32 -","- C32 H30 La2 N4 O32 -","- C32 H30 La2 N4 O32 -","1","0.5","AV3048","Xiong, Li-Qin; Qi, Chuan-Min","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)-κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^1^-bis[triaqua(2-carboxy-3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate","Acta Crystallographica Section C","2007","63","1","m10","m12","10.1107/S0108270106047822","","","0.71073","MoKα","","0.03","0.0243","","","0.0565","0.059","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015722","5.7037","0.0007","10.7251","0.0014","10.5678","0.0014","90","","90.267","0.002","90","","646.45","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BTSA","Bis(tert-butylsulfonyl)ethyne","","- C10 H18 O4 S2 -","- C10 H18 O4 S2 -","- C20 H36 O8 S4 -","2","0.5","AV3049","Werz, Daniel B.; Ohlbach, Frank; Rominger, Frank; Gleiter, Rolf","Bis(<i>tert</i>-butylsulfonyl)ethyne and 1-<i>tert</i>-butylsulfinyl-2-<i>tert</i>-butylsulfonylethyne","Acta Crystallographica Section C","2007","63","1","o1","o3","10.1107/S0108270106047834","","","0.71073","MoKα","","0.0378","0.0368","","","0.0837","0.0842","","","","","","1.278","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015723","5.7463","0.0004","10.7328","0.0008","10.5299","0.0007","90","","92.109","0.001","90","","648.98","0.08","200","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-tert-Butylsulfonyl-2-tert-butylsulfinylethyne","","- C10 H18 O3 S2 -","- C10 H18 O3 S2 -","- C20 H36 O6 S4 -","2","0.5","AV3049","Werz, Daniel B.; Ohlbach, Frank; Rominger, Frank; Gleiter, Rolf","Bis(<i>tert</i>-butylsulfonyl)ethyne and 1-<i>tert</i>-butylsulfinyl-2-<i>tert</i>-butylsulfonylethyne","Acta Crystallographica Section C","2007","63","1","o1","o3","10.1107/S0108270106047834","","","","","","0.0842","0.0618","","","0.1342","0.1474","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015724","8.256","0.002","16.343","0.003","10.647","0.005","90","","95.499","0.003","90","","1430","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimagnesium μ-oxo-bis(pentachlororuthenate(IV) hexadecahydrate","","- Cl10 H32 Mg2 O17 Ru2 -","- Cl10 H32 Mg2 O17 Ru2 -","- Cl20 H64 Mg4 O34 Ru4 -","2","0.5","BC3021","Boufas, Sihem; Merazig, Hocine; Bendjeddou, Lamia; Dénés, Georges; Beghidja, Adel","Mg~2~Ru~2~Cl~10~O·16H~2~O","Acta Crystallographica Section C","2007","63","1","i7","i9","10.1107/S0108270106050839","","","0.71073","MoKα","","","0.0284","","","","0.0634","","","","","","1.039","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015725","7.262","0.001","7.262","0.001","22.47","0.005","90","","90","","120","","1026.2","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Magnesium selenite 7.5-hydrate","","","- H15 Mg O10.5 Se -","- H14.98 Mg O10.5 Se -","- H59.92 Mg4 O42 Se4 -","4","0.166667","BC3022","Michel Fleck","Orientational disorder of [Mg(H~2~O)~6~] octahedra in the novel magnesium selenite hydrate Mg(SeO~3~)·7.5H~2~O","Acta Crystallographica Section C","2007","63","1","i1","i3","10.1107/S0108270106047949","","","0.71073","MoKα","","0.0251","0.023","","","0.0519","0.0527","","","","","","1.208","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015726","8.9333","0.0012","6.2164","0.0007","7.5815","0.0012","90","","110.238","0.013","90","","395.03","0.1","292","3","292","3","","","","","","","","4","C 1 2/m 1","-C 2y","12","copper(II) diselenite(IV) dichloride","tricopper(II) diselenium(IV) dichloride hexaoxide","","- Cl2 Cu3 O6 Se2 -","- Cl2 Cu3 O6 Se2 -","- Cl4 Cu6 O12 Se4 -","2","0.25","BC3024","Becker, Richard; Berger, Helmuth; Johnsson, Mats","Monoclinic Cu~3~(SeO~3~)~2~Cl~2~: an oxohalide with an unusual CuO~4~Cl trigonal‒bipyramidal coordination","Acta Crystallographica Section C","2007","63","1","i4","i6","10.1107/S0108270106050621","","","0.71073","MoKα","","0.0266","0.026","","","0.0762","0.0764","","","","","","1.651","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015727","8.9738","0.0006","12.8267","0.0007","11.187","0.0008","90","","98.875","0.005","90","","1272.25","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquabis[6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olato-κO^4^]bis(3- methylpyridine-κN)nickel(II)}","","- C20 H26 N4 Ni O10 S2 -","- C20 H26 N4 Ni O10 S2 -","- C40 H52 N8 Ni2 O20 S4 -","2","0.5","BG3023","Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif","Bis(acesulfamato-κ<i>O</i>^4^)diaquabis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2007","63","1","m13","m15","10.1107/S0108270106050591","","","0.71073","MoKα","","0.0545","0.035","","","0.0795","0.0848","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015728","12.4268","0.0002","3.796","0.0001","16.9218","0.0003","90","","107.812","0.001","90","","759.97","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazine‒chloranilic acid (1/1)","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0443","0.0339","","","0.0911","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015729","12.432","0.0003","3.7702","0.0001","16.8848","0.0004","90","","107.778","0.001","90","","753.62","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazinium chloranilate","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0427","0.0323","","","0.0841","0.0885","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015730","22.8628","0.0011","3.6294","0.0002","9.061","0.0004","90","","107.915","0.0014","90","","715.41","0.06","296.1","","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","calcium europium tin oxide","calcium europium tin heptaoxide","","- Ca1.5 Eu3 O7 Sn0.5 -","- Ca1.5 Eu3 O7 Sn0.5 -","- Ca6 Eu12 O28 Sn2 -","4","0.5","FA3035","Yusuke Kaminaga; Takahiro Yamada; Yamane, Hisanori","Ca~1.5~Eu~3~Sn~0.5~O~7~: a calcium europium tin oxide with a novel structure","Acta Crystallographica Section C","2007","63","1","i10","i12","10.1107/S0108270106039916","","","0.71069","MoKα","","0.0297","0.0264","","","0.0579","0.0606","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015731","8.3908","0.0007","9.0698","0.0008","9.7303","0.001","64.734","0.005","71.721","0.01","88.198","0.011","631.33","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","2'-Deoxy-5-propynylcytidine","4-amino-1-(2-deoxy-β-D-erythropentofuranosyl)-5-(prop-1- ynyl)pyrimidine-2(1H)-one","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C24 H30 N6 O8 -","2","2","FA3048","Seela, Frank; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-5-propynylcytidine: a nucleoside forming two solid-state conformations","Acta Crystallographica Section C","2007","63","1","o54","o57","10.1107/S0108270106050736","","","0.71073","MoKα","","0.0431","0.0394","","","0.1085","0.1116","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015732","26.757","0.004","11.2998","0.0015","7.9943","0.0012","90","","96.709","0.012","90","","2400.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-phenyldiazenyl]anilinium hydrogenphosphate","","- C24 H25 N6 O4 P -","- C24 H25 N6 O4 P -","- C96 H100 N24 O16 P4 -","4","1","FA3051","Halasz, Ivan; Kaja Lukić; Hrvoj Vančik","Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene","Acta Crystallographica Section C","2007","63","1","o61","o64","10.1107/S0108270106050979","","","0.71073","MoKα","","0.0987","0.0748","","","0.2109","0.2293","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015733","4.5515","0.0004","10.5973","0.0009","34.705","0.003","90","","90","","90","","1673.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-phenyldiazenyl]anilinium dihydrogenphosphate‒phosphoric acid (1/1)","","- C12 H17 N3 O8 P2 -","- C12 H17 N3 O8 P2 -","- C48 H68 N12 O32 P8 -","4","1","FA3051","Halasz, Ivan; Kaja Lukić; Hrvoj Vančik","Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene","Acta Crystallographica Section C","2007","63","1","o61","o64","10.1107/S0108270106050979","","","0.71073","MoKα","","0.0503","0.0396","","","0.0963","0.1009","","","","","","1.073","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015734","9.4872","0.0009","15.4477","0.0014","10.7567","0.0009","90","","105.878","0.004","90","","1516.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1,4,8,11-tetraazacyclotetradecane(2+) [hepta-μ-sulfido-trisulfidohexaantimony(III)]]","","- C10 H20 N4 S10 Sb6 -","- C10 H20 N4 S10 Sb6 -","- C20 H40 N8 S20 Sb12 -","2","0.5","GA3032","Lees, Rachel J. E.; Powell, Anthony V.; Watkin, David J.; Chippindale, Ann M.","1,4,8,11-Tetraazacyclotetradecane antimony(III) sulfide","Acta Crystallographica Section C","2007","63","1","m27","m29","10.1107/S010827010605044X","","","0.71073","MoKα","","0.0554","0.0492","","0.0382","0.0377","0.0377","","","","","","1.0801","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015735","11.5432","0.0006","9.5417","0.0005","13.1351","0.0007","90","","101.904","0.002","90","","1415.61","0.13","150","2","150","2","","","","","","","","8","P 1 n 1","P -2yac","7","","chloro[(diphenylphosphinoamino)diphenylphosphine oxide]methylpalladium(II) dimethyl sulfoxide solvate","","- C27 H30 Cl N O2 P2 Pd S -","- C27 H30 Cl N O2 P2 Pd S -","- C54 H60 Cl2 N2 O4 P4 Pd2 S2 -","2","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.024","0.0225","","","0.0534","0.0542","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015736","17.3748","0.0005","14.3919","0.0004","18.3124","0.0005","90","","90","","90","","4579.1","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloro{diethoxy[2-(diphenylphosphino)phenyl]methane]methylpalladium(II)","","- C24 H28 Cl O2 P Pd -","- C24 H28 Cl O2 P Pd -","- C192 H224 Cl8 O16 P8 Pd8 -","8","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.0267","0.0201","","","0.0499","0.0557","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015737","16.6938","0.0011","22.1074","0.0015","36.666","0.003","90","","94.46","0.004","90","","13490.8","1.7","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl- κ^2^C^1^,N}iodo(triphenylphosphine-κP)palladium(II)","","- C37 H31 I N O4 P Pd -","- C37 H31 I N O4 P Pd -","- C592 H496 I16 N16 O64 P16 Pd16 -","16","4","GD3068","Jones, Peter G.; López-Serrano, Joaquín","An organometallic compound with <i>Z</i>' = 4: {2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl-κ^2^<i>C</i>^1^,<i>N</i>}iodo(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2007","63","1","m16","m18","10.1107/S0108270106051870","","","0.71073","MoKα","","0.0543","0.0296","","","0.0636","0.0697","","","","","","0.954","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015738","7.444","0.002","10.067","0.002","15.33","0.003","85.06","0.03","89.91","0.03","80.2","0.03","1127.7","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(perchlorato-κO)copper(II) bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(methanol-κO)copper(II) bis(perchlorate) methanol disolvate","","- C20 H52 Cl4 Cu2 N12 O28 -","- C20 H52 Cl4 Cu2 N12 O28 -","- C20 H52 Cl4 Cu2 N12 O28 -","1","0.5","GG3051","Liu, Guang-Fei; Li, Lin-Lin; Zhang,Yong; Lang, Jian-Ping; Ng, Seik Weng","Bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(perchlorato-κ<i>O</i>)copper(II) bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(methanol-κ<i>O</i>)copper(II) bis(perchlorate) methanol disolvate","Acta Crystallographica Section C","2007","63","1","m1","m3","10.1107/S0108270106043265","","","0.71073","MoKα","","0.029","0.027","","","0.074","0.076","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015739","10.5331","0.001","6.8752","0.0006","20.0035","0.0018","90","","90","","90","","1448.6","0.2","133","2","133","2","","","","","","","","2","P n a 21","P 2c -2n","33","","2',5'-Dimethyl-p-terphenyl","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","GG3053","Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr","Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section C","2007","63","1","o73","o76","10.1107/S0108270106052668","","","0.71073","MoKα","","0.0773","0.0687","","","0.1433","0.1474","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015740","11.1019","0.0012","8.2736","0.0011","17.726","0.002","90","","90.248","0.004","90","","1628.2","0.3","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2',5'-bis(bromomethyl)-p-terphenyl","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C80 H64 Br8 -","4","1","GG3053","Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr","Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section C","2007","63","1","o73","o76","10.1107/S0108270106052668","","","0.71073","MoKα","","0.0732","0.0452","","","0.117","0.1318","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015741","7.2228","0.0004","8.4433","0.0003","10.5938","0.0005","98.234","0.003","107.609","0.002","97.907","0.003","598.13","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C26 H30 N6 O4 -","2","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.0841","0.0493","","","0.12","0.1355","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015742","6.1272","0.0002","11.6374","0.0003","20.3182","0.0007","90","","98.629","0.002","90","","1432.38","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.0702","0.0418","","","0.0987","0.1121","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015743","8.0166","0.0002","7.5082","0.0002","18.5507","0.0005","90","","91.814","0.0016","90","","1116.01","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.054","0.04","","","0.1122","0.1208","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015744","12.74","0.0004","10.8595","0.0003","13.9187","0.0004","90","","110.728","0.001","90","","1801.01","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate","","- C16 H16 Cl3 N3 O3 -","- C16 H16 Cl3 N3 O3 -","- C64 H64 Cl12 N12 O12 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.0538","0.0409","","","0.0839","0.0895","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015745","10.8081","0.0006","10.3597","0.0003","14.427","0.0007","90","","95.281","0.002","90","","1608.52","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone monohydrate","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C64 H76 N12 O20 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.085","0.0471","","","0.1168","0.1334","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015746","8.993","0.0005","16.2713","0.001","11.6311","0.0006","90","","90.354","0.003","90","","1701.92","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone dihydrate","","- C16 H21 N3 O6 -","- C16 H21 N3 O6 -","- C64 H84 N12 O24 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.1271","0.0647","","","0.1057","0.1213","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015747","11.0921","0.0003","19.3442","0.0003","20.1742","0.0004","90","","90","","90","","4328.73","0.16","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","hexakis(4-cyanophenyl)benzene","4,4',4'',4''',4'''',4'''''-benzenehexaylhexabenzonitrile dichloromethane disolvate","","- C50 H28 Cl4 N6 -","- C50 H28 Cl4 N6 -","- C200 H112 Cl16 N24 -","4","0.5","GZ3032","Gagnon, Eric; Maly, Kenneth E.; Maris, Thierry; Wuest, James D.","A new pseudopolymorph of hexakis(4-cyanophenyl)benzene","Acta Crystallographica Section C","2007","63","1","o4","o6","10.1107/S0108270106046452","","","1.54178","CuKα","","0.0582","0.0577","","","0.1379","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015748","3.7734","0.0005","30.03","0.004","12.075","0.0016","90","","93.894","0.002","90","","1365.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-hydroxybiochanin A monohydrate","4'-methoxy-5,6,7-trihydroxyisoflavone monohydrate","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","GZ3040","Zun-Ting Zhang; Yan-Chang Wang","Hydrogen bonding and π‒π stacking in 6-hydroxybiochanin A monohydrate","Acta Crystallographica Section C","2007","63","1","o51","o53","10.1107/S0108270106044908","","","0.71073","MoKα","","0.0913","0.0461","","","0.0996","0.1219","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015749","4.81","0.0008","10.776","0.0018","10.8756","0.0018","69.325","0.003","85.792","0.003","81.946","0.003","522.03","0.15","300","","300","","","","","","","","","4","P 1","P 1","1","Bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate","bis[2-(2-ammonioacetamido)butanedioic acid] oxalate 0.4-hydrate","","- C14 H22.8 N4 O14.4 -","- C14 H22 N4 O14 -","- C14 H22 N4 O14 -","1","1","HJ3023","R. Chitra; Vijay Thiruvenkatam; R. R. Choudhury; M. V. Hosur; T. N. Guru Row","Conformation and structure of bis(glycyl-<small>L</small>-aspartic acid) oxalate 0.4-hydrate","Acta Crystallographica Section C","2007","63","1","o11","o13","10.1107/S0108270106048566","","","0.71073","MoKα","","0.072","0.0592","","","0.1277","0.1334","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015750","5.5238","0.0007","26.581","0.003","44.093","0.005","90","","90","","90","","6474.1","1.3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","glycyl-L-valine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C196 H392 N56 O84 -","28","7","JZ3047","Görbitz, Carl Henrik; Agustsdottir, Silja; Bleken, Francesca","Pearls on a string: a <i>Z</i>' = 7 structure for glycyl-<small>L</small>-valine","Acta Crystallographica Section C","2007","63","1","o58","o60","10.1107/S0108270106052474","","","0.71073","MoKα","","0.1245","0.0734","","","0.1575","0.1716","","","","","","1.284","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015751","9.435","0.001","18.098","0.008","13.612","0.002","90","","102.485","0.009","90","","2269.3","1.1","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium 2-[(2,4-dinitrophenyl)sulfanylaminocarbonyl]benzoate","","- C20 H24 N4 O7 S -","- C20 H24 N4 O7 S -","- C80 H96 N16 O28 S4 -","4","1","LN3028","Brito, Iván; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","Diisopropylammonium 2-[(2,4-dinitrophenyl)sulfanylaminocarbonyl]benzoate","Acta Crystallographica Section C","2007","63","1","o48","o50","10.1107/S0108270106050840","","","0.71073","MoKα","","","0.0587","","","","0.1657","","","","","","1.168","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015752","10.9665","0.0014","10.9665","0.0014","30.796","0.006","90","","90","","90","","3703.7","1","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","LN3029","Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-<i>tert</i>-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1<i>H</i>-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2007","63","1","o29","o32","10.1107/S0108270106050335","","","0.71073","MoKα","","0.0888","0.0515","","","0.1042","0.1202","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015753","12.5184","0.0002","18.5142","0.0005","21.758","0.0005","90","","96.073","0.0015","90","","5014.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1- phenyl-1H-pyrazole","","- C28 H30 N6 O -","- C28 H30 N6 O -","- C224 H240 N48 O8 -","8","2","LN3029","Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-<i>tert</i>-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1<i>H</i>-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2007","63","1","o29","o32","10.1107/S0108270106050335","","","0.71073","MoKα","","0.1239","0.0591","","","0.0972","0.1132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015754","24.76","0.02","8.59","0.01","11.55","0.01","90","","107.11","0.03","90","","2348","4","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^O:O')disilver(I)(Ag—Ag)]- μ~2~-di-2-pyridylamine-κ^2^N^2^:N^2'^]","","- C26 H23 Ag2 N3 O4 -","- C26 H23 Ag2 N3 O4 -","- C104 H92 Ag8 N12 O16 -","4","0.5","RB3021","Odoko, Mamiko; Ise, Tomoyasu; Okabe, Nobuo","<i>catena</i>-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~2~-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^] and <i>catena</i>-poly[[(di-2-pyridylamine-κ<i>N</i>^2^)(μ~2~-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~3~-4-nitrobenzoato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2007","63","1","m22","m26","10.1107/S010827010605102X","","","0.7107","MoKα","","","0.0306","","","","0.0578","","","","","","0.802","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015755","7.259","0.008","11.07","0.01","15.38","0.02","82.66","0.05","84.84","0.04","72.01","0.04","1164","2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[(di-2-pyridylamine-κN^2^)(μ~2~-4-nitrobenzoato- κ^2^O:O')disilver(I)(Ag—Ag)]-μ~3~-4-nitrobenzoato-κ^3^O:O':O']","","- C24 H17 Ag2 N5 O8 -","- C24 H17 Ag2 N5 O8 -","- C48 H34 Ag4 N10 O16 -","2","1","RB3021","Odoko, Mamiko; Ise, Tomoyasu; Okabe, Nobuo","<i>catena</i>-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~2~-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^] and <i>catena</i>-poly[[(di-2-pyridylamine-κ<i>N</i>^2^)(μ~2~-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~3~-4-nitrobenzoato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2007","63","1","m22","m26","10.1107/S010827010605102X","","","0.7107","MoKα","","","0.0327","","","","0.0882","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015756","10.9891","0.0011","11.4986","0.0011","14.8928","0.0015","82.308","0.002","83.418","0.002","66","0.002","1699.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(μ- ferrocenecarboxylato)trimanganese(II)]","","- C76 H66 Fe6 Mn3 N2 O14 -","- C76 H66 Fe6 Mn3 N2 O14 -","- C76 H66 Fe6 Mn3 N2 O14 -","1","0.5","SF3022","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(ferrocenecarboxylato)trimanganese(II)]","Acta Crystallographica Section C","2007","63","1","m4","m6","10.1107/S0108270106047196","","","0.71073","MoKα","","0.0666","0.0399","","","0.0867","0.1023","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015757","6.0243","0.0002","7.5022","0.0003","15.9717","0.0008","90","","90","","90","","721.85","0.05","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0344","0.0287","","0.0688","0.0671","0.0688","","","","","","1.0049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015758","6.0177","0.0002","6.4672","0.0002","18.0218","0.0007","90","","90","","90","","701.37","0.04","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0304","0.0272","","0.0661","0.0647","0.0661","","","","","","1.0288","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015759","10.8271","0.0002","10.8271","0.0002","19.9208","0.0003","90","","90","","90","","2335.24","0.07","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","7-Amino-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","SK3071","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2-<i>tert</i>-butyl-5-methylpyrazolo[1,5-<i>a</i>]pyrimidine: a three-dimensional framework structure built from two N—H···N hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o26","o28","10.1107/S0108270106044817","","","0.71073","MoKα","","0.0429","0.0349","","","0.0872","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015760","6.3212","0.0005","9.4121","0.0011","10.2496","0.0012","90.311","0.005","94.183","0.007","92.946","0.007","607.35","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 5-amino-1-(4-cyanophenyl)-1H-imidazole-4-carboxylate","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C26 H24 N8 O4 -","2","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.1098","0.0602","","","0.1261","0.1468","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015761","13.1153","0.0006","8.7114","0.0004","11.5273","0.0004","90","","107.064","0.003","90","","1259.05","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-amino-1-(4-chlorophenyl)-1H-imidazole-4-carboxylate","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.0645","0.0467","","","0.1143","0.1261","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015762","7.9045","0.0004","12.995","0.0007","11.7737","0.0005","90","","98.81","0.004","90","","1195.11","0.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","ethyl 5-amino-1-(2,6-difluorophenyl)-1H-imidazole-4-carboxylate","","- C12 H11 F2 N3 O2 -","- C12 H11 F2 N3 O2 -","- C48 H44 F8 N12 O8 -","4","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.0455","0.0343","","","0.0745","0.0802","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015763","13.3271","0.0005","12.7054","0.0005","15.7748","0.0006","90","","90","","90","","2671.09","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","SK3078","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K: sheets built from O—H···O, O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o42","o44","10.1107/S0108270106050451","","","0.71073","MoKα","","0.0937","0.0532","","","0.1295","0.1552","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015764","5.9233","0.0003","8.8858","0.0006","11.7819","0.0006","85.69","0.004","83.5","0.004","84.015","0.003","611.51","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C24 H24 N8 O8 -","2","1","SQ3044","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2007","63","1","o38","o41","10.1107/S0108270106044611","","","0.71073","MoKα","","0.0677","0.0463","","","0.1164","0.1275","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015765","8.3646","0.0003","11.5735","0.0006","12.7953","0.0007","88.328","0.003","88.526","0.003","75.362","0.003","1197.75","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","SQ3044","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2007","63","1","o38","o41","10.1107/S0108270106044611","","","0.71073","MoKα","","0.0996","0.0684","","","0.1619","0.1731","","","","","","1.197","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015766","9.9601","0.0014","9.0436","0.0013","20.708","0.003","90","","94.659","0.003","90","","1859.1","0.5","297","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-cyano-2-(trimethylphosphonio)ethenoate","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","SQ3045","Fernando Castañeda; Clifford A. Bunton; Ricardo Baggio; María Teresa Garland","Cyano-stabilized triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","1","o65","o67","10.1107/S0108270106051201","","","0.71073","MoKα","","0.0939","0.0646","","","0.1367","0.15","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015767","10.1144","0.0011","8.9938","0.001","19.968","0.002","90","","91.744","0.002","90","","1815.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-cyano-1-(trimethylphosphonio)prop-1-en-2-olate","","- C22 H18 N O P -","- C22 H18 N O P -","- C88 H72 N4 O4 P4 -","4","1","SQ3045","Fernando Castañeda; Clifford A. Bunton; Ricardo Baggio; María Teresa Garland","Cyano-stabilized triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","1","o65","o67","10.1107/S0108270106051201","","","0.71073","MoKα","","0.0698","0.0537","","","0.1321","0.1434","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015768","18.999","0.004","3.841","0.0008","41.69","0.008","90","","122.96","0.03","90","","2552.7","1.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chlorobenzonitrile","","- C7 H4 Cl N -","- C7 H4 Cl N -","- C112 H64 Cl16 N16 -","16","4","SQ3046","Britton, Doyle","<i>o</i>-Chloro- and <i>o</i>-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing","Acta Crystallographica Section C","2007","63","1","o14","o16","10.1107/S0108270106048451","","","0.71073","MoKα","","0.08","0.048","","","0.093","0.102","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015769","3.9247","0.001","10.348","0.003","16.387","0.004","90","","95.011","0.004","90","","663","0.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","SQ3046","Britton, Doyle","<i>o</i>-Chloro- and <i>o</i>-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing","Acta Crystallographica Section C","2007","63","1","o14","o16","10.1107/S0108270106048451","","","0.71073","MoKα","","0.029","0.022","","","0.048","0.051","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015770","17.48","0.004","11.114","0.002","29.698","0.006","90","","93.894","0.008","90","","5756","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-(fluorene-9,9-diyl)diphenol‒6-methyl-2H-pyridone (1/2)","","- C37 H32 N2 O4 -","- C37 H32 N2 O4 -","- C296 H256 N16 O32 -","8","1","AV3045","Lavy, T.; Meirovich, N.; Sparkes, H. A.; Howard, J. A. K.; Kaftory, M.","Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2<i>H</i>-pyridone","Acta Crystallographica Section C","2007","63","2","o89","o92","10.1107/S010827010604474X","","","0.71073","MoKα","","0.0689","0.0481","","","0.1339","0.1473","","","","","","1.163","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015771","14.432","0.004","14.665","0.005","35.675","0.01","90","","90.133","0.014","90","","7550","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-(fluorene-9,9-diyl)diphenol‒6-methyl-2H-pyridone‒water (1/3/3)","","- C43 H45 N3 O8 -","- C43 H45 N3 O8 -","- C344 H360 N24 O64 -","8","1","AV3045","Lavy, T.; Meirovich, N.; Sparkes, H. A.; Howard, J. A. K.; Kaftory, M.","Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2<i>H</i>-pyridone","Acta Crystallographica Section C","2007","63","2","o89","o92","10.1107/S010827010604474X","","","0.71073","MoKα","","0.0755","0.0551","","","0.1078","0.1132","","","","","","1.277","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015772","6.1882","0.0006","15.935","0.0015","17.2295","0.0016","90","","90","","90","","1699","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(5-tert-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","AV3047","Sun, Xu-Xia; Qi, Chuan-Min; Huang, Hai-Bo; Ma, Shu-Lan","1-[(5-<i>tert</i>-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","Acta Crystallographica Section C","2007","63","2","o87","o88","10.1107/S0108270106051511","","","0.71073","MoKα","","0.039","0.032","","","0.0855","0.0891","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015773","8.6343","0.0014","8.7713","0.0014","11.2379","0.0015","110.158","0.013","98.428","0.012","100.631","0.014","764.6","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-Butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C26 H42 N6 O12 -","2","1","AV3051","Ejsmont, Krzysztof; Gajda, Roman; Makowski, Maciej","Conformation of <i>tert</i>-butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester in the crystalline state and calculated in the gas phase","Acta Crystallographica Section C","2007","63","2","o80","o83","10.1107/S0108270106052590","","","0.71073","MoKα","","0.0337","0.0305","","","0.0803","0.0824","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015774","9.533","0.0005","36.635","0.002","10.0344","0.0006","90","","95.479","0.001","90","","3488.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromobis[2-(dimethylamino)methyl]tin(IV) tetrabromo[2-(dimethylamino)methyl]tin(IV)","","- C27 H37 Br6 N3 Sn2 -","- C27 H37 Br6 N3 Sn2 -","- C108 H148 Br24 N12 Sn8 -","4","1","AV3053","Varga, Richard A.; Silvestru, Cristian","Hydrogen bonding in dibromo[2-(dimethylaminomethyl)phenyl][2-(dimethylammoniomethyl)phenyl]tin(IV) tetrabromo[2-(dimethylaminomethyl)phenyl]tin(IV)","Acta Crystallographica Section C","2007","63","2","m48","m50","10.1107/S010827010605150X","","","0.71073","MoKα","","0.0663","0.0534","","","0.117","0.1221","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015775","18.769","0.004","42.406","0.009","7.217","0.0014","90","","90","","90","","5744","2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ- acetylenedicarboxylato-κ^3^O,O'O''] monohydrate]","","- C14 H12 Mn N2 O6 -","- C14 H12 Mn N2 O6 -","- C224 H192 Mn16 N32 O96 -","16","1","AV3056","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~3~-acetylenedicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] monohydrate]","Acta Crystallographica Section C","2007","63","2","m65","m67","10.1107/S0108270106056022","","","0.71073","MoKα","","0.021","0.0192","","","0.0473","0.0487","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015776","12.651","0.001","21.071","0.005","9.262","0.001","90","","106.09","0.01","90","","2372.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[N,N-Bis(2-pyridylmethyl)aminomethyl]-6-[N-(2-hydroxyanilino)methyl]- 4-methylphenol","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C108 H112 N16 O8 -","4","1","BM3018","Bortoluzzi, Adailton J.; Neves, Ademir; Rey, Nicolas A.","2-{[Bis(2-pyridylmethyl)amino]methyl}-6-[(2-hydroxyanilino)methyl]-4-methylphenol: a novel binucleating asymmetric ligand as a precursor to synthetic models for metalloenzymes","Acta Crystallographica Section C","2007","63","2","o84","o86","10.1107/S0108270106050517","","","0.71073","MoKα","","0.151","0.0531","","","0.121","0.155","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015777","12.527","0.001","12.606","0.001","13.3233","0.0011","94.945","0.001","94.621","0.001","108.295","0.001","1977.2","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","bis(μ 1,1-dimethylguanidinato)bis[(2,2'-bipyridine)platinum(II)](Pt—Pt) bis(hexafluorophosphate) bis(acetonitrile)","","- C30 H38 F12 N12 P2 Pt2 -","- C30 H38 F12 N12 P2 Pt2 -","- C60 H76 F24 N24 P4 Pt4 -","2","1","BM3021","Sakai, Ken; Yokokawa, Kazuo; Yokoyama, Yoshimi","Pt~2~^II^ and Pt~2~^III^ dimers containing a Pt~2~(2,2'-bipyridine)~2~(μ-<i>N</i>,<i>N</i>-dimethylguanidinato)~2~ unit","Acta Crystallographica Section C","2007","63","2","m36","m41","10.1107/S0108270106053601","","","0.71073","MoKα","","0.0806","0.0612","","","0.1452","0.1541","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015778","12.6189","0.0006","28.9553","0.0014","14.4197","0.0007","90","","114.712","0.001","90","","4786.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-N,N-dimethylguanidinato)bis[(2,2'- bipyridine)sulfatoplatinum(III)](Pt—Pt) guanidinium nitrate hexahydrate","","- C29 H54 N14 O17 Pt2 S2 -","- C29 H42 N14 O17 Pt2 S2 -","- C116 H168 N56 O68 Pt8 S8 -","4","1","BM3021","Sakai, Ken; Yokokawa, Kazuo; Yokoyama, Yoshimi","Pt~2~^II^ and Pt~2~^III^ dimers containing a Pt~2~(2,2'-bipyridine)~2~(μ-<i>N</i>,<i>N</i>-dimethylguanidinato)~2~ unit","Acta Crystallographica Section C","2007","63","2","m36","m41","10.1107/S0108270106053601","","","0.71073","MoKα","","0.0843","0.041","","","0.1027","0.1136","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015779","9.6949","0.0002","10.4915","0.0002","16.9001","0.0002","97.645","0.001","101.458","0.001","113.215","0.001","1505.09","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","[(Acetato-κ^2^O,O')(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ-acetato- κ^2^O:O'-[(acetato-κO)(di-2-pyridylamine-κ^2^N^2^,N^2'^)(isothiocyanato- κN)copper(II)]","","- C27 H27 Cu2 N7 O6 S -","- C27 H27 Cu2 N7 O6 S -","- C54 H54 Cu4 N14 O12 S2 -","2","1","DN3030","Youngme, Sujittra; Chotkhun, Thidarat; Chaichit, Narongsak","μ-Acetato-1:2κ^2^<i>O</i>:<i>O</i>'-diacetato-1κ^2^<i>O</i>,<i>O</i>';2κ<i>O</i>-bis(di-2-pyridylamine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-isothiocyanato-2κ<i>N</i>-dicopper(II)","Acta Crystallographica Section C","2007","63","2","m59","m61","10.1107/S0108270106054163","","","0.71073","MoKα","","0.0501","0.0375","","","0.0879","0.0989","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015780","7.3964","0.0004","10.8144","0.0007","14.08","0.0011","90","","90","","90","","1126.23","0.13","110","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bipyridine-κN)dioxouranium(VI)]-di-μ-hydroxo]","","- C10 H10 N2 O4 U -","- C10 H10 N2 O4 U -","- C40 H40 N8 O16 U4 -","4","1","DN3033","Thuéry, Pierre","π-Stacking and hydrogen bonding in <i>catena</i>-poly[[(4,4'-bipyridine-κ<i>N</i>)dioxouranium(VI)]-di-μ-hydroxo]","Acta Crystallographica Section C","2007","63","2","m54","m56","10.1107/S0108270106054412","","","0.71073","MoKα","","0.0387","0.0331","","","0.0833","0.0857","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015781","10.3728","0.0002","17.1008","0.0004","12.9444","0.0003","90","","111.041","0.001","90","","2143.02","0.08","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","DN3034","J. Suresh; R. Suresh Kumar; S. Perumal; A. Mostad; S. Natarajan","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate and ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3-carboxylate: supramolecular aggregation through C—H···O, C—H···F and C—H···π interactions","Acta Crystallographica Section C","2007","63","2","o141","o144","10.1107/S0108270107000224","","","0.71073","MoKα","","0.0439","0.0402","","","0.1085","0.1119","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015782","12.092","0.001","10.489","0.001","18.496","0.002","90","","94.78","0.01","90","","2337.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3- carboxylate","","- C27 H21 F2 N O3 S -","- C27 H21 F2 N O3 S -","- C108 H84 F8 N4 O12 S4 -","4","1","DN3034","J. Suresh; R. Suresh Kumar; S. Perumal; A. Mostad; S. Natarajan","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate and ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3-carboxylate: supramolecular aggregation through C—H···O, C—H···F and C—H···π interactions","Acta Crystallographica Section C","2007","63","2","o141","o144","10.1107/S0108270107000224","","","0.71073","MoKα","","0.0778","0.0425","","","0.1104","0.128","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015783","9.466","0.001","21.025","0.003","14.643","0.002","90","","98.67","0.002","90","","2881","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rare earth MOCVD precursor","Tris(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')erbium(III)","","- C27 H29 Er N2 O6 -","- C27 H29 Er N2 O6 -","- C108 H116 Er4 N8 O24 -","4","1","DN3035","Neelgund, Gururaj M.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","Acta Crystallographica Section C","2007","63","2","m74","m76","10.1107/S0108270107000248","","","0.71073","MoKα","","0.0541","0.041","","","0.094","0.0979","","","","","","1.256","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015784","3.821","0.001","11.725","0.002","15.118","0.003","90","","96.55","0.03","90","","672.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ortho-chloronitrobenzene","1-chloro,2-nitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","EM1004","Mossakowska, Izabella; Wójcik, Grażyna","1-Chloro-2-nitrobenzene: N—O···Cl halogen bonds and aromatic π‒π stacking, and thermal vibrations in the vicinity of the melting point","Acta Crystallographica Section C","2007","63","2","o123","o125","10.1107/S0108270106048797","","","0.71073","MoKα","","0.0867","0.0747","","","0.1909","0.2048","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015785","13.0702","0.0008","21.8905","0.0016","7.7957","0.0005","90","","90","","90","","2230.5","0.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,4-di-2-pyridyl-1,2,5-oxadiazole","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C96 H64 N32 O8 -","8","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1392","0.065","","","0.0716","0.0828","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015786","13.5254","0.0004","13.1646","0.0004","7.6908","0.0002","90","","90","","90","","1369.4","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-[3-(2-pyridyl)-1,2,5-oxadiazol-4-yl]pyridinium perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1105","0.0637","","","0.1976","0.2213","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015787","5.5515","0.0008","12.6547","0.0012","17.0171","0.0019","90","","90","","90","","1195.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2'-Deoxy-2-fluorotubercidin","7-(2-deoxy-β-D-erythro-pentofuranosyl)- 2-fluoro-7H-pyrrolo[2,3-d]pyrimidin-2-amine","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","FA3053","Seela, Frank; Peng , Xiaohua; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-2-fluorotubercidin","Acta Crystallographica Section C","2007","63","2","o96","o98","10.1107/S0108270106053704","","","0.71073","MoKα","","0.0506","0.0418","","","0.1088","0.1149","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015788","8.1272","0.0006","10.0646","0.0008","18.2504","0.0014","90","","90","","90","","1492.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S)-trans-4-ethylammonio-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran- 2-sulfonamide 7,7-dioxide chloride","","- C10 H17 Cl N2 O4 S3 -","- C10 H17 Cl N2 O4 S3 -","- C40 H68 Cl4 N8 O16 S12 -","4","1","GA3036","Krishnan Ravikumar; Balasubramanian Sridhar","Dorzolamide hydrochloride: an antiglaucoma agent","Acta Crystallographica Section C","2007","63","2","o108","o110","10.1107/S0108270106055338","","","0.71073","MoKα","","0.0247","0.0242","","","0.0641","0.0645","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015789","6.2168","0.001","9.7823","0.001","14.0973","0.0007","98.977","0.003","101.16","0.002","93.697","0.007","826.83","0.16","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(4-bromophenyldiazenyl)-2,6-dimethylphenyl acrylate","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C34 H30 Br2 N4 O4 -","2","1","GD3067","Kocaokutgen, Hasan; Ibrahim Uçar; Gür, Mahmut; Özkınalı, Sevil; Büyükgüngör, Orhan","(<i>E</i>)-4-(4-Bromophenyldiazenyl)-2,6-dimethylphenyl acrylate and (<i>E</i>)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","Acta Crystallographica Section C","2007","63","2","o111","o113","10.1107/S0108270106054369","","","0.71073","MoKα","","0.0683","0.0413","","","0.0968","0.1089","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015790","6.1589","0.0008","11.2603","0.0015","12.3461","0.0016","82.78","0.011","80.07","0.011","85.321","0.011","835.13","0.19","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","(E)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","GD3067","Kocaokutgen, Hasan; Ibrahim Uçar; Gür, Mahmut; Özkınalı, Sevil; Büyükgüngör, Orhan","(<i>E</i>)-4-(4-Bromophenyldiazenyl)-2,6-dimethylphenyl acrylate and (<i>E</i>)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","Acta Crystallographica Section C","2007","63","2","o111","o113","10.1107/S0108270106054369","","","0.71073","MoKα","","0.1549","0.0835","","","0.1847","0.2162","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015791","9.83","0.002","12.364","0.003","11.56","0.003","90","","103.09","0.03","90","","1368.5","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate methanol solvate","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0704","0.0551","","","0.121","0.1303","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015792","10.085","0.002","12.338","0.003","11.615","0.003","90","","108.61","0.03","90","","1369.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate dihydrate","","- C30 H35 N3 O10 -","- C30 H35 N3 O10 -","- C60 H70 N6 O20 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0327","0.03","","","0.0766","0.0781","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015793","8.075","0.002","12.464","0.002","29.994","0.003","90","","90","","90","","3018.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 4-nitrobenzoate 2.6 hydrate","","- C30 H36.2 N3 O10.6 -","- C30 H34.6 N3 O10.6 -","- C120 H138.4 N12 O42.4 -","4","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.1163","0.0882","","","0.2387","0.2613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015794","5.64","0.001","8.768","0.002","10.704","0.002","90","","92.49","0.03","90","","528.83","0.18","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-leucine perchlorate","L-Leucinium perchlorate","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","GD3071","Jan Janczak; Genivaldo Julio Perpétuo","<small>L</small>-Leucinium perchlorate","Acta Crystallographica Section C","2007","63","2","o117","o119","10.1107/S0108270106055156","","","0.71073","MoKα","","0.057","0.0422","","","0.098","0.1068","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015795","7.9355","0.0003","24.7376","0.0009","11.1332","0.0005","90","","106.589","0.002","90","","2094.54","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-3-[5-cyano-2-(4-fluorophenyl)-1,3-dihydroisobenzofuran-2- yl]propanaminium oxalate oxalic acid 0.325-hydrate","","- C44 H46 F2 N4 O10.325 -","- C44 H46 F2 N4 O10.325 -","- C88 H92 F4 N8 O20.65 -","2","1","GD3075","Harrison, William T. A.; Yathirajan, H. S.; Bindya, S.; Anilkumar, H. G.; Devaraju","Escitalopram oxalate: co-existence of oxalate dianions and oxalic acid molecules in the same crystal","Acta Crystallographica Section C","2007","63","2","o129","o131","10.1107/S010827010605520X","","","0.71073","MoKα","","0.0751","0.0422","","","0.0825","0.0949","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015796","40.0004","0.0007","8.8672","0.0001","16.9706","0.0004","90","","111.062","0.0008","90","","5617.17","0.18","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2-methylquinoline-8-selenolato-κ^2^N,Se)antimony(III)","","- C30 H24 N3 Sb Se3 -","- C30 H24 N3 Sb Se3 -","- C240 H192 N24 Sb8 Se24 -","8","1","GG3054","Silina, Elga; Belyakov, Sergey; Ashaks, Janis; Pecha, Lucija; Zaruma, Daina","Tris(2-methylquinoline-8-selenolato-κ^2^<i>N</i>,<i>Se</i>)antimony(III)","Acta Crystallographica Section C","2007","63","2","m62","m64","10.1107/S0108270106053285","","","0.71073","MoKα","","0.1043","0.0486","","","0.1224","0.17","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015797","8.3321","0.0002","18.3668","0.0004","10.8568","0.0002","90","","94.45","0.002","90","","1656.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0398","0.0347","","","0.083","0.0858","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015798","14.223","0.0007","7.9862","0.0004","14.1156","0.0007","90","","93.908","0.003","90","","1599.63","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-nitrobenzyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one","","- C16 H13 N3 O5 S -","- C16 H13 N3 O5 S -","- C64 H52 N12 O20 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.1528","0.1215","","","0.4013","0.4375","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015799","4.6687","0.0004","9.621","0.0008","35.478","0.003","90","","95.335","0.003","90","","1586.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0786","0.061","","","0.2076","0.2389","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015800","22.3","0.0004","9.9352","0.0003","14.6945","0.0004","90","","96.435","0.002","90","","3235.13","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2-nitrobenzyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C16 H13 N3 O5 S -","- C16 H13 N3 O5 S -","- C128 H104 N24 O40 S8 -","8","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0523","0.0362","","","0.088","0.0956","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015801","13.9981","0.0006","10.1236","0.0003","10.1491","0.0004","90","","106.333","0.002","90","","1380.2","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-fluorobenzyl)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one","","- C16 H13 F2 N O S -","- C16 H13 F2 N O S -","- C64 H52 F8 N4 O4 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0736","0.0592","","","0.1378","0.1452","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015802","10.1044","0.0003","11.7533","0.0005","12.1655","0.0005","117.232","0.002","97.48","0.003","99.585","0.002","1231.11","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","2","GG3063","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with <i>Z</i>' = 2: hydrogen-bonded supramolecular substructures in one and two dimensions, each containing only one type of molecule","Acta Crystallographica Section C","2007","63","2","o99","o101","10.1107/S0108270106055545","","","0.71073","MoKα","","0.1079","0.0589","","","0.1453","0.1689","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015803","7.7358","0.0003","9.4543","0.0005","29.9093","0.0013","90","","90","","90","","2187.46","0.17","295","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","gold(III) tetrachloride salt of L-cocaine complex","(1R,2R,3S,5S,8S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate tetrachlorogold(III)","","- C17 H22 Au Cl4 N O4 -","- C17 H22 Au Cl4 N O4 -","- C68 H88 Au4 Cl16 N4 O16 -","4","1","GZ3036","Wood, Matthew R.; Brettell, Thomas A.; Lalancette, Roger A.","The gold(III) tetrachloride salt of <small>L</small>-cocaine","Acta Crystallographica Section C","2007","63","2","m33","m35","10.1107/S0108270106053108","","","1.54178","CuKα","","0.029","0.028","","","0.07","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015804","8.5473","0.001","6.2423","0.0007","9.1325","0.0011","90","","114.701","0.004","90","","442.68","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-Erythrocytidine","1-(β-D-Erythrofuranosyl)cytidine","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","GZ3050","Kline, Paul C.; Noll, Bruce C.; Zhao, Hongqiu; Serianni, Anthony S.","1-(β-<small>D</small>-Erythrofuranosyl)cytidine (β-erythrocytidine)","Acta Crystallographica Section C","2007","63","2","o137","o140","10.1107/S0108270106055053","","","1.54178","CuKα","","0.029","0.0278","","","0.0709","0.0756","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015805","5.699","0.001","7.428","0.001","20.053","0.002","90","","93.384","0.007","90","","847.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NDSB-201","3-(1-Pyridinio)propanesulfonate","","- C8 H11 N O3 S -","- C8 H11 N O3 S -","- C32 H44 N4 O12 S4 -","4","1","GZ3054","Katarzyna D. Koclega; Maksymilian Chruszcz; Anna Gawlicka-Chruszcz; Marcin Cymborowski; Wladek Minor","3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate","Acta Crystallographica Section C","2007","63","2","o114","o116","10.1107/S0108270106054692","","","1.54179","CuKα","","0.0301","0.03","","","0.082","0.0821","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015806","12.628","0.001","11.209","0.001","9.982","0.001","90","","107.26","0.004","90","","1349.3","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NDSB-256","3-(benzyldimethylammonio)propanesulfonate monohydrate","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","GZ3054","Katarzyna D. Koclega; Maksymilian Chruszcz; Anna Gawlicka-Chruszcz; Marcin Cymborowski; Wladek Minor","3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate","Acta Crystallographica Section C","2007","63","2","o114","o116","10.1107/S0108270106054692","","","1.54179","CuKα","","0.0421","0.0385","","","0.1002","0.1015","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015807","8.9511","0.0006","24.128","0.002","12.6581","0.0009","90","","94.806","0.008","90","","2724.2","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TrpyPdOAc^F^","Trifluoracetato-(1,3,12,14-tetramethyl-2,7,8,13- tetraethyltripyrrinato)palladium(II)","","- C28 H34 F3 N3 O2 Pd -","- C28 H34 F3 N3 O2 Pd -","- C112 H136 F12 N12 O8 Pd4 -","4","1","GZ3060","Bröring, Martin; Prikhodovski, Serguei; Köhler, Silke","(3,8,9,14-Tetraethyl-2,4,13,15-tetramethyltripyrrinato)(trifluoroacetato)palladium(II)","Acta Crystallographica Section C","2007","63","2","m68","m70","10.1107/S010827010605579X","","","0.71073","MoKα","","0.0525","0.0392","","","0.0998","0.1032","","","","","","1.185","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015808","7.6217","0.0006","15.8538","0.0013","16.3696","0.0012","90","","90","","90","","1978","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mesitylnitramine","2,4,6-trimethyl-N-nitroaniline","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","HJ3024","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,4,6-Trimethyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2007","63","2","o126","o128","10.1107/S0108270106055776","","","0.71073","MoKα","","0.1296","0.0462","","","0.1107","0.1417","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015809","10.8631","0.0009","5.3684","0.0005","24.661","0.002","90","","97.833","0.007","90","","1424.7","0.2","90","0.1","90","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-Methyl-3-phenyldiazenyl-9H-carbazole","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","HJ3027","Kyzioł, Janusz B.; Ejsmont, Krzysztof","9-Methyl-3-phenyldiazenyl-9<i>H</i>-carbazole: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2007","63","2","o77","o79","10.1107/S0108270106053571","","","0.71073","MoKα","","0.0832","0.0335","","","0.0536","0.0575","","","","","","0.84","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015810","9.688","0.002","7.7579","0.0017","10.219","0.004","90","","102.684","0.019","90","","749.3","0.4","122","1","122","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Vanadyltriflate","Pentaaquaoxovanadium(IV) trifluoromethanesulfonate","","- C2 H10 F6 O12 S2 V -","- C2 H10 F6 O12 S2 V -","- C4 H20 F12 O24 S4 V2 -","2","0.5","IZ3014","Magnussen, Magnus; Brock-Nannestad, Theis; Bendix, Jesper","Pentaaquaoxovanadium(IV) bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2007","63","2","m51","m53","10.1107/S010827010605219X","","","0.71073","MoKα","","0.0434","0.0379","","","0.0986","0.1039","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015811","15.7776","0.0019","17.191","0.002","25.513","0.003","90","","93.914","0.003","90","","6903.8","1.4","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}- 4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate","","- C29 H38 F6 N4 Ni2 O7.5 P -","- C29 H38 F6 N4 Ni2 O7.5 P -","- C232 H304 F48 N32 Ni16 O60 P8 -","8","2","LN3026","Chen, Jing-Wen; Liu, Bin; Chen, Xiao-Qing; Li, Yi-Zhi","Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate","Acta Crystallographica Section C","2007","63","2","m42","m44","10.1107/S0108270106053480","","","0.71073","MoKα","","0.0989","0.0601","","","0.0945","0.1018","","","","","","1.103","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015812","11.3575","0.0007","11.6949","0.0007","13.8332","0.0008","101.753","0.001","107.337","0.001","108.916","0.001","1564.77","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ~2~-acetato-diaquadi-μ~2~-chloro-tetrachlorotetrakis[μ~4~- 3-hydroxy-2,2-bis(oxidomethyl)propanolato]tetramethanoldi-μ~5~-oxo- octamanganese(II)tetramanganese(III), [Mn^III^~4~Mn^II^~8~Cl~6~O~2~(CH~3~O)~2~(C~2~H~3~O~2~)~4~(C~3~H~5~O~4~)~4~\ (CH~4~MeO)~4~(H~2~O)~2~]","","- C34 H74 Cl6 Mn12 O34 -","- C34 H74 Cl6 Mn12 O34 -","- C34 H74 Cl6 Mn12 O34 -","1","0.5","SF3024","Mukherjee, Arindam; Boskovic, Colette; Gable, Robert W.","A dodecanuclear manganese(II,III) complex of pentaerythritol","Acta Crystallographica Section C","2007","63","2","m71","m73","10.1107/S010827010700042X","","","0.71073","MoKα","","0.031","0.0284","","","0.0791","0.0807","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015813","14.1074","0.0008","8.5839","0.0005","19.4144","0.0011","90","","95.635","0.001","90","","2339.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Azido-κN)bis(di-2-pyridylamine)copper(II) hexafluorophosphate","","- C20 H18 Cu F6 N9 P -","- C20 H18 Cu F6 N9 P -","- C80 H72 Cu4 F24 N36 P4 -","4","1","SF3027","Youngme, Sujittra; Phatchimkun, Jaturong; Pakawatchai, Chaveng; Prabpai, Samran; Kongsaeree, Palangpon","(Azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) hexafluorophosphate and (azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","Acta Crystallographica Section C","2007","63","2","m45","m47","10.1107/S0108270106052693","","","0.71073","MoKα","","0.0594","0.0432","","","0.1027","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015814","7.056","0.0002","27.836","0.0013","12.878","0.0006","90","","99.009","0.002","90","","2498.18","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(azido-κN)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","SF3027","Youngme, Sujittra; Phatchimkun, Jaturong; Pakawatchai, Chaveng; Prabpai, Samran; Kongsaeree, Palangpon","(Azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) hexafluorophosphate and (azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","Acta Crystallographica Section C","2007","63","2","m45","m47","10.1107/S0108270106052693","","","0.71073","MoKα","","0.0673","0.0455","","","0.1248","0.1473","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015815","31.385","0.002","12.4151","0.0007","16.5874","0.0011","90","","100.246","0.006","90","","6360.2","0.7","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetonitrile){2,6-bis[1-(2-ethyl-6- methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate","","- C29.5 H35 Cl3 N4 Ru -","- C29.5 H35 Cl3 N4 Ru -","- C236 H280 Cl24 N32 Ru8 -","8","1","SK3081","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(Acetonitrile){2,6-bis[1-(2-ethyl-6-methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate: a chain of edge-fused <i>R</i>~6~^6^(24) rings","Acta Crystallographica Section C","2007","63","2","m77","m80","10.1107/S0108270107001266","","","0.71073","MoKα","","0.0915","0.0529","","","0.1458","0.1592","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015816","9.356","0.0001","9.4049","0.0001","11.1174","0.0002","90.1103","0.0005","104.308","0.0005","106.125","0.0006","907.99","0.02","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(1-Benzyl-5-nitro-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C46 H42 N6 O6 -","2","1","SK3086","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Benzyl-5-nitro-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2007","63","2","o135","o136","10.1107/S0108270106055971","","","0.71073","MoKα","","0.0519","0.0399","","","0.0999","0.1071","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015817","9.5068","0.0012","6.5035","0.001","11.4259","0.0016","90","","104.572","0.015","90","","683.71","0.17","293","1","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-chloro-μ~2~-1,4-oxathiane-κ^2^S:S-copper(I)]","","- C4 H8 Cl Cu O S -","- C4 H8 Cl Cu O S -","- C16 H32 Cl4 Cu4 O4 S4 -","4","1","SQ3054","Salivon, Natalya F.; Filinchuk, Yaroslav E.; Olijnyk, Volodymyr V.","Poly[μ~2~-chloro-μ~2~-1,4-oxathiane-κ^2^<i>S</i>:<i>S</i>-copper(I)]","Acta Crystallographica Section C","2007","63","2","m57","m58","10.1107/S0108270106054047","","","0.71069","MoKα","","0.0758","0.0337","","","0.0628","0.0699","","","","","","0.765","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015818","7.6865","0.0003","11.0294","0.0008","26.8912","0.0013","90","","90","","90","","2279.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","P,P'-di[3-(trimethylsilyl)-1-propyl] ethylenebisphosphonic acid","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate","","- C14 H36 O6 P2 Si2 -","- C14 H36 O6 P2 Si2 -","- C56 H144 O24 P8 Si8 -","4","0.5","SQ3056","McLauchlan, Craig C.; Ziegler, Amanda J.; Sosnowski, Cyndi R.; Herlinger, Albert W.","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate, H~2~DTMSP[EBP]","Acta Crystallographica Section C","2007","63","2","o132","o134","10.1107/S0108270106055818","","","0.71073","MoKα","","0.0449","0.0327","","","0.0801","0.0869","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015819","3.9788","0.0007","21.203","0.004","3.6583","0.0007","90","","90","","90","","308.62","0.1","295","2","295","2","","","","","","","","3","C m m m","-C 2 2","65","Trimagnesium dinickel diterbium","diterbium dinickel trimagnesium","","- Mg3 Ni2 Tb2 -","- Mg3 Ni2 Tb2 -","- Mg6 Ni4 Tb4 -","2","0.125","SQ3057","Solokha, Pavlo; De Negri, Serena; Saccone, Adriana; Pavlyuk, Volodymyr; Marciniak, Bernard; Tedenac, Jean-Claude","Tb~2~Ni~2~Mg~3~: a new structure type derived from the Ru~3~Al~2~B~2~ type","Acta Crystallographica Section C","2007","63","2","i13","i16","10.1107/S0108270107001503","","","0.71073","MoKα","","0.0352","0.0323","","","0.0764","0.078","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015820","8.8191","0.0014","10.7923","0.0018","9.3793","0.0014","90","","90.631","0.012","90","","892.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ethylenediammonium oxotrithiotungstate(VI)","ethylenediammonium oxotrithiotungstate(VI)","","- C2 H10 N2 O S3 W -","- C2 H10 N2 O S3 W -","- C8 H40 N8 O4 S12 W4 -","4","1","AV3050","Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang","Competing hydrogen-bond acceptors in ethylenediammonium oxotrithiotungstate(VI)","Acta Crystallographica Section C","2007","63","3","m81","m84","10.1107/S0108270106056393","","","0.71073","MoKα","","0.0404","0.0261","","","0.0663","0.0697","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015821","7.355","0.004","7.965","0.004","11.056","0.006","73.827","0.008","83.588","0.007","63.647","0.007","557.4","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(3-carboxy-4-nitrobenzoato-κO)manganese(II) dihydrate","","- C16 H20 Mn N2 O18 -","- C16 H20 Mn N2 O18 -","- C16 H20 Mn N2 O18 -","1","0.5","AV3055","Xiong, Li-Qin; Qi, Chuan-Min; Yu, Hui; Liang, Sheng-Wen","Tetraaquabis(5-carboxy-2-nitrobenzoato-κ<i>O</i>)manganese(II) dihydrate: a metal‒water chain complex containing cyclic water tetramers","Acta Crystallographica Section C","2007","63","3","m117","m119","10.1107/S0108270106056010","","","0.71073","MoKα","","0.0347","0.0296","","","0.08","0.0839","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015822","13.9136","0.0016","10.4852","0.0012","12.3991","0.0014","90","","102.165","0.002","90","","1768.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II) dinitrate:","","- C12 H16 Co N4 O10 -","- C12 H16 Co N4 O10 -","- C48 H64 Co4 N16 O40 -","4","0.5","AV3059","Li, Zhi-Gang; Wang, Guan-Hua; Niu, Jia-Jia; Xu, Jing-Wei; Hu, Ning-Hai","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dinitrate: a hydrogen-bonded supramolecular network","Acta Crystallographica Section C","2007","63","3","m94","m96","10.1107/S0108270107002314","","","0.71073","MoKα","","0.0315","0.0289","","","0.073","0.075","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015823","6.9692","0.0002","12.3802","0.0005","14.5513","0.0007","90","","90","","90","","1255.49","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","AV3063","Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2007","63","3","o166","o168","10.1107/S0108270107002788","","","0.71073","MoKα","","0.0579","0.0449","","","0.1009","0.1067","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015824","8.3859","0.0014","8.7715","0.0019","10.0402","0.001","80.784","0.013","68.195","0.011","87.373","0.014","676.8","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-1,2-bis(1H-1,2,4-triazol-1-yl)ethane- κ^2^N^4^:N^4'^]bis[diisothiocyanatozinc(II)]","","- C16 H16 N16 S4 Zn2 -","- C16 H16 N16 S4 Zn2 -","- C16 H16 N16 S4 Zn2 -","1","0.5","AV3065","Yu-Mei Zhang; Yu-Ping Zhang; Bao-Long Li; Yong Zhang","A novel dimeric zinc(II) complex: bis[μ-1,2-bis(1<i>H</i>-1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[diisothiocyanatozinc(II)]","Acta Crystallographica Section C","2007","63","3","m120","m122","10.1107/S0108270107005215","","","0.71073","MoKα","","0.0386","0.0324","","","0.0789","0.083","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015825","13.7129","0.0017","7.9403","0.0009","24.862","0.003","90","","101.879","0.005","90","","2649.1","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","potassium 3',4'-ethylenedithio-3-methylamidotetrathiafulvalene(+) tetraisothiocyanatomercury(II)","","- C14 H9 Hg K N5 O S10 -","- C14 H9 Hg K N5 O S10 -","- C56 H36 Hg4 K4 N20 O4 S40 -","4","1","AV3066","Simonov, Sergey; Zorina, Leokadiya; Kushch, Natal'ya; Mézière, Cécile; Batail, Patrick","3-Methylamido-3',4'-ethylenedithiotetrathiafulvalene(+) potassium tetraisothiocyanatomercury(II)","Acta Crystallographica Section C","2007","63","3","m126","m128","10.1107/S0108270107006154","","","0.71073","MoKα","","0.0596","0.0304","","","0.0622","0.0693","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015826","13.0541","0.0011","6.9672","0.0006","34.604","0.003","90","","90","","90","","3147.3","0.5","183","2","183","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E,Z,E)-1-(4-methoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0597","0.0427","","","0.121","0.1359","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015827","18.914","0.009","6.88","0.003","25.927","0.011","90","","90","","90","","3374","3","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E,Z,E)-1-(4-ethoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.1495","0.0638","","","0.1297","0.155","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015828","15.3615","0.0011","6.8341","0.0005","17.6625","0.0012","90","","106.215","0.001","90","","1780.5","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,Z,E)-1-(4-nitrophenyl)-6-(4-n-propoxyphenyl)hexa-1,3,5-triene","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0505","0.0411","","","0.1063","0.1156","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015829","17.0571","0.001","6.7244","0.0004","17.2095","0.001","90","","105.884","0.001","90","","1898.54","0.19","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,Z,E)-1-(4-n-butoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0546","0.0463","","","0.1219","0.1295","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015830","13.914","0.0007","7.50076","0.00017","16.2547","0.0006","90","","98.806","0.002","90","","1676.43","0.11","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0564","0.0411","","","0.1138","0.1237","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015831","13.864","0.0006","7.4755","0.0003","16.208","0.0011","90","","98.821","0.002","90","","1659.93","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0509","0.0392","","","0.1059","0.1136","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015832","13.8385","0.0007","7.4614","0.0003","16.1873","0.0011","90","","98.871","0.002","90","","1651.42","0.16","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0461","0.0367","","","0.0966","0.1027","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015833","13.7961","0.0005","7.44012","0.00017","16.1488","0.0005","90","","98.914","0.003","90","","1637.57","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0422","0.0341","","","0.0887","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015834","22.7424","0.0011","7.4467","0.0002","29.6165","0.0013","90","","103.221","0.002","90","","4882.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C180 H252 Al12 O72 -","12","3","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0514","0.0383","","","0.1025","0.1107","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015835","8.194","0.002","9.959","0.002","15.358","0.003","104.27","0.03","103.99","0.03","91.1","0.03","1174.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[tetrakis(μ-propionato-κ^2^O:O')dicopper(II)]-μ-3- pyridylmethanol-κ^2^N:O-[bis(propionato-κO)bis(μ-3-pyridylmethanol- κ^2^N,O)copper(II)]-μ-3-pyridylmethanol-κO:N]","","- C42 H58 Cu3 N4 O16 -","- C42 H58 Cu3 N4 O16 -","- C42 H58 Cu3 N4 O16 -","1","0.5","BG3026","Moncol, Jan; Maroszova, Jaroslava; Melník, Milan; Koman, Marian","<i>catena</i>-Poly[[tetrakis(μ-propionato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)]-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>-[bis(propionato-κ<i>O</i>)bis(3-pyridylmethanol-κ<i>N</i>)copper(II)]-μ-3-pyridylmethanol-κ<i>O</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","3","m114","m116","10.1107/S0108270107004386","","","0.71069","MoKα","","0.0947","0.0534","","","0.1383","0.1531","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015836","12.1624","0.0004","7.2782","0.0002","21.4837","0.0007","90","","90","","90","","1901.75","0.1","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","butylammonium hexachloridotin(IV)","","- C8 H24 Cl6 N2 Sn -","- C8 H24 Cl6 N2 Sn -","- C32 H96 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0375","","","","0.1029","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015837","12.2351","0.0005","7.2021","0.0003","24.5723","0.0009","90","","90","","90","","2165.27","0.15","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentylammonium hexachloridotin(IV)","","- C10 H28 Cl6 N2 Sn -","- C10 H28 Cl6 N2 Sn -","- C40 H112 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0434","","","","0.1181","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015838","12.3622","0.0003","7.3179","0.0002","26.6245","0.0006","90","","90","","90","","2408.59","0.1","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","hexylammonium hexachloridotin(IV)","","- C12 H32 Cl6 N2 Sn -","- C12 H32 Cl6 N2 Sn -","- C48 H128 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0752","","","","0.2171","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015839","12.243","0.002","7.1124","0.0013","13.777","0.003","90","","93.697","0.003","90","","1197.2","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-phenylethylammonium) hexachloridostannate(IV)","","- C16 H24 Cl6 N2 Sn -","- C16 H24 Cl6 N2 Sn -","- C32 H48 Cl12 N4 Sn2 -","2","0.5","BM3024","Billing, David G.; Lemmerer, Andreas; Rademeyer, Melanie","Bis(1-phenylethylammonium) hexachloridostannate(IV) and bis(2-phenylethylammonium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","3","m101","m104","10.1107/S0108270107004970","","","0.71073","MoKα","","","0.0307","","","","0.0968","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015840","7.335","0.003","25.695","0.004","11.974","0.002","90","","90.03","0.02","90","","2256.8","1.1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-phenylethylammonium) hexachloridostannate(IV)","","- C16 H24 Cl6 N2 Sn -","- C16 H24 Cl6 N2 Sn -","- C64 H96 Cl24 N8 Sn4 -","4","1","BM3024","Billing, David G.; Lemmerer, Andreas; Rademeyer, Melanie","Bis(1-phenylethylammonium) hexachloridostannate(IV) and bis(2-phenylethylammonium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","3","m101","m104","10.1107/S0108270107004970","","","0.71073","MoKα","","","0.0501","","","","0.122","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015841","24.4297","0.0003","31.7167","0.0007","4.4409","0.0001","90","","90","","90","","3440.94","0.12","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(2,5-dihydroxyphenyl)-2-oxazoline","2-(2-Oxazolin-2-yl)benzene-1,4-diol","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","DN2121","Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Jozef Lustoň; Juraj Kronek","2-(2-Oxazolin-2-yl)benzene-1,4-diol: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","3","o187","o189","10.1107/S0108270107004131","","","0.71073","MoKα","","0.0489","0.0365","","","0.0879","0.0963","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015842","12.6852","0.0019","4.5157","0.0004","12.1383","0.0018","90","","113.915","0.011","90","","635.62","0.16","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(3-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0669","0.0509","","","0.0974","0.1008","","","","","","1.371","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015843","14.0683","0.0012","6.9497","0.0007","6.5553","0.0006","90","","98.264","0.007","90","","634.26","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(4-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0473","0.0342","","","0.0701","0.0747","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015844","13.3255","0.0008","8.709","0.0005","11.9743","0.0006","90","","113.845","0.004","90","","1271.02","0.13","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-[(2-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0394","0.0269","","","0.0537","0.0572","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015845","10.4847","0.0013","14.4641","0.0018","9.2203","0.0011","90","","107.244","0.002","90","","1335.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3,3-dichloro-1H-indol-2(3H)-one","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","DN3029","Lotter, A. N. C.; Fernandes, M. A.; Otterlo, W. A. L. van; Koning, C. B. de","1-Benzyl-3,3-dichloro-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","3","o157","o159","10.1107/S0108270107002028","","","0.71073","MoKα","","0.0424","0.0319","","","0.0832","0.0881","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015846","23.5972","0.0007","10.7419","0.0004","12.0086","0.0004","90","","90","","90","","3043.93","0.18","123.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","","- C7 H18 F3 O3 P3 S -","- C7 H18 F3 O3 P3 S -","- C56 H144 F24 O24 P24 S8 -","8","1","FA3074","Weigand, Jan J.; Davidson, Reagan J.; Cameron, T. Stanley; Burford, Neil","A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","Acta Crystallographica Section C","2007","63","3","o193","o195","10.1107/S0108270107006671","","","0.7107","MoKα","","","0.052","","","","0.063","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015847","7.9154","0.0012","9.8527","0.0015","9.8141","0.0013","90","","94.198","0.012","90","","763.33","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-difluoro-4-formylphenylboronic acid","2,3-Difluoro-4-formylphenylboronic acid","","- C7 H5 B F2 O3 -","- C7 H5 B F2 O3 -","- C28 H20 B4 F8 O12 -","4","1","FG3045","Klis, Tomasz; Lulinski, Sergiusz; Serwatowski, Janusz","2,3-Difluoro-4-formylphenylboronic acid","Acta Crystallographica Section C","2007","63","3","o145","o146","10.1107/S0108270107001576","","","0.71073","MoKα","","0.0652","0.0387","","","0.1022","0.1093","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015848","14.0597","0.0011","9.4711","0.0007","14.5223","0.0012","90","","106.626","0.001","90","","1853","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato- κ^4^N,N',N'',O:κO'] perchlorate]","","- C16 H18 Cl Cu N3 O6 -","- C16 H18 Cl Cu N3 O6 -","- C64 H72 Cl4 Cu4 N12 O24 -","4","1","GA3027","Choi, Ki-Young; Choi, Seung-Chul; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik","<i>catena</i>-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>:κ<i>O</i>'] perchlorate]","Acta Crystallographica Section C","2007","63","3","m85","m87","10.1107/S0108270106049870","","","0.71073","MoKα","","0.0481","0.0377","","","0.1023","0.1103","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015849","16.418","0.005","7.171","0.004","22.428","0.005","90","","102.543","0.005","90","","2577.5","1.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-Poly[aquabarium(II)]-μ-aqua-bis(μ-2-carboxybiphenyl-2- carboxylato)barium(II)]","","- C28 H22 Ba O10 -","- C28 H22 Ba O10 -","- C112 H88 Ba4 O40 -","4","1","GD3066","Djehni Samia; Balegroune, Fadila; Guehria-Laidoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","<i>catena</i>-Poly[[aquabarium(II)]-μ-aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato)]","Acta Crystallographica Section C","2007","63","3","m91","m93","10.1107/S0108270107001874","","","0.71073","MoKα","","0.0452","0.0302","","","0.0629","0.0688","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015850","16.6521","0.0008","15.5103","0.0007","17.8922","0.0008","90","","115.34","0.002","90","","4176.5","0.3","292","2","292","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] [[μ-thiosulfato-bis[(thiosulfato-κS)zinc(II)]]-δi-μ-4,4'-bipyridine- κ^4^N:N'] dihydrate], {[Zn(C~10~H~8~N~2~)(H~2~O)~4~][Zn~2~(S~2~O~3~)~3~(C~10~H~8~N~2~)~2~].2H~2~O","","- C30 H36 N6 O15 S6 Zn3 -","- C30 H36 N6 O15 S6 Zn3 -","- C120 H144 N24 O60 S24 Zn12 -","4","1","GD3072","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","A polymeric zinc thiosulfate complex containing anionic and cationic chains based on tetrahedral and octahedral zinc sites","Acta Crystallographica Section C","2007","63","3","m123","m125","10.1107/S0108270107006166","","","0.71073","MoKα","","0.0217","0.0205","","","0.0505","0.0512","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015851","7.9063","0.0001","9.6543","0.0002","10.7025","0.0002","70.771","0.001","71.47","0.001","73.531","0.001","716.62","0.02","120","2","","","","","","","","","","6","P -1","-P 1","2","","4,4,6,6-tetrachlorocyclo-2,2-(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C10 H20 Cl8 N6 O4 P6 -","2","1","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0256","","","","0.0687","","","","","","1.016","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015852","11.7673","0.0002","9.2325","0.0001","16.3007","0.0003","90","","90","","90","","1770.93","0.05","120","2","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C10 H20 Cl2 N3 O4 P3 -","- C10 H20 Cl2 N3 O4 P3 -","- C40 H80 Cl8 N12 O16 P12 -","4","0.5","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0288","","","","0.0776","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015853","18.0604","0.0004","8.321","0.0001","11.8528","0.0003","90","","99.955","0.001","90","","1754.43","0.06","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C10 H20 Cl2 N3 O4 P3 -","- C10 H20 Cl2 N3 O4 P3 -","- C40 H80 Cl8 N12 O16 P12 -","4","0.5","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0265","","","","0.0678","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015854","11.1758","0.0003","12.1731","0.0003","13.0499","0.0003","112.201","0.001","102.2","0.001","106.856","0.001","1466.34","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(N,N-dimethylformamide-κO)(nitrato-κ^2^O:O')silver(I)]- μ-1,2-bis(diphenylphosphino)ethane-κ^2^P:P']","","- C29 H31 Ag N2 O4 P2 -","- C29 H31 Ag N2 O4 P2 -","- C58 H62 Ag2 N4 O8 P4 -","2","1","GD3080","Menezes Vicenti, Juliano R. de; Burrow, Robert A.","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(nitrato-κ<i>O</i>)silver(I)]-μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'] at 100 and 293K: temperature effects on the volume of the solvent pocket","Acta Crystallographica Section C","2007","63","3","m88","m90","10.1107/S010827010700306X","","","0.71073","MoKα","","0.0785","0.0444","","","0.0971","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015855","11.0869","0.0003","11.9653","0.0004","12.9618","0.0004","112.322","0.002","102.41","0.002","106.216","0.002","1424.15","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(N,N-dimethylformamide-κO)(nitrato-κ^2^O:O')silver(I)]- μ-1,2-bis(diphenylphosphino)ethane-κ^2^P:P']","","- C29 H31 Ag N2 O4 P2 -","- C29 H31 Ag N2 O4 P2 -","- C58 H62 Ag2 N4 O8 P4 -","2","1","GD3080","Menezes Vicenti, Juliano R. de; Burrow, Robert A.","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(nitrato-κ<i>O</i>)silver(I)]-μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'] at 100 and 293K: temperature effects on the volume of the solvent pocket","Acta Crystallographica Section C","2007","63","3","m88","m90","10.1107/S010827010700306X","","","0.71073","MoKα","","0.0433","0.034","","","0.0761","0.0805","","","","","","1.041","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015856","11.2597","0.0004","4.4118","0.0002","17.6256","0.0006","90","","98.253","0.003","90","","866.49","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-cyanoethyl)thymine","3-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanenitrile","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","GD3083","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Supramolecular motifs in 1-(2-cyanoethyl)thymine and 1-(3-cyanopropyl)thymine","Acta Crystallographica Section C","2007","63","3","o201","o203","10.1107/S0108270107006385","","","0.71073","MoKα","","0.0589","0.0365","","","0.0973","0.1174","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015857","4.8591","0.0008","9.8205","0.0012","10.5979","0.0011","75.815","0.01","78.364","0.012","80.78","0.011","476.94","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-(3-cyanopropyl)thymine","4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butanenitrile","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C18 H22 N6 O4 -","2","1","GD3083","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Supramolecular motifs in 1-(2-cyanoethyl)thymine and 1-(3-cyanopropyl)thymine","Acta Crystallographica Section C","2007","63","3","o201","o203","10.1107/S0108270107006385","","","0.71073","MoKα","","0.049","0.0392","","","0.111","0.1207","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015858","23.227","0.005","14.526","0.003","20.765","0.004","90","","94.99","0.02","90","","6979","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua(phthalocyaninato)magnesium n-propylamine disolvate","","- C38 H36 Mg N10 O -","- C38 H36 Mg N10 O -","- C304 H288 Mg8 N80 O8 -","8","1","GD3085","Vasyl Kinzhybalo; Jan Janczak","Aqua(phthalocyaninato)magnesium <i>n</i>-propylamine disolvate","Acta Crystallographica Section C","2007","63","3","m105","m107","10.1107/S0108270107004921","","","0.71073","MoKα","","0.1439","0.0483","","","0.0913","0.1073","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015859","6.7725","0.0006","11.0759","0.001","12.3543","0.001","101.734","0.002","91.725","0.002","97.031","0.002","899.08","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,5-Dibromophthalimide","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","GD3087","Williamson, Craig; Harrison, William T. A.","4,5-Dibromophthalimide forms two centrosymmetric dimers, one linked by C—H···O hydrogen bonds and one by N—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","3","o185","o186","10.1107/S0108270107005239","","","0.71073","MoKα","","0.0834","0.0472","","","0.1061","0.1163","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015860","7.8817","0.0017","8.6832","0.0011","14.5715","0.0015","90","","90","","90","","997.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dione","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0554","0.0449","","","0.1153","0.1212","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015861","7.452","0.003","9.117","0.001","24.78","0.003","90","","90","","90","","1683.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N^3^-anisoyl-6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-N^4^-(2-methoxybenzoyl)-1,2,4- triazin-3,5(2H,4H)-dione","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C64 H68 N12 O28 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0495","0.0348","","","0.0854","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015862","9.5695","0.001","13.895","0.0016","22.229","0.003","90","","101.72","0.009","90","","2894.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''- terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)","","- C29 H30 N6 O6 Ru -","- C29 H29.658 N6 O6 Ru -","- C116 H118.632 N24 O24 Ru4 -","4","1","GZ3063","Kelson, Eric P.; Dean, Norman S.; Algarín, Edgar","Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''-terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)","Acta Crystallographica Section C","2007","63","3","m108","m110","10.1107/S0108270107004246","","","0.71073","MoKα","","0.059","0.0571","","","0.1138","0.1149","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015863","12.7","0.003","6.9721","0.0017","18.422","0.005","90","","107.275","0.003","90","","1557.6","0.7","169","2","169","2","","","","","","","","3","C 1 2 1","C 2y","5","(1S,2R,3R,4S,5S,6R,7S,8S,11S)-myo-inositol-1,2-camphor acetal","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H26 O6 -","- C16 H26 O6 -","- C64 H104 O24 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.1049","0.0571","","","0.0993","0.1129","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015864","13.1708","0.0017","6.9513","0.0009","20.737","0.003","90","","97.899","0.002","90","","1880.5","0.4","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","(1R,2S,3S,4R,5R,6S,7R/S,8S,11S)-myo-inositol-1,2-camphor acetal trihydrate","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H32 O9 -","- C16 H32 O9 -","- C64 H128 O36 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.0363","0.0274","","","0.0575","0.0594","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015865","12.91","0.003","7.077","0.004","14.001","0.003","90","","111.67","0.03","90","","1188.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S)-Benzyl N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","GZ3069","Stefanowicz, Piotr; Jaremko, Mariusz; Jaremko, Łukasz; Kochel, Andrzej","(3<i>S</i>)-Benzyl <i>N</i>-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate: two-dimensional sheets built from O—H···O, N—H···O, C=O···C=O and C—H···O interactions linked into a three-dimensional complex framework <i>via</i> C—H···π(arene) interactions","Acta Crystallographica Section C","2007","63","3","o204","o206","10.1107/S0108270107006646","","","0.71073","MoKα","","0.054","0.0397","","","0.0786","0.0832","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015866","11.5195","0.0013","8.6516","0.0007","15.9173","0.0011","90","","109.865","0.005","90","","1492","0.2","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ia","6-(4-Fluorophenyl)-8-phenyl-2,3-dihydro-4H-imidazo[5,1-b][1,3]thiazin-4-one","","- C18 H13 F N2 O S -","- C18 H13 F N2 O S -","- C72 H52 F4 N8 O4 S4 -","4","1","HJ3028","Gallagher, John F.; Le Bas, Marie-Delphine H.; Coleman, Claire M.; O'Shea, Donal F.","6-(4-Fluorophenyl)-8-phenyl-2,3-dihydro-4<i>H</i>-imidazo[5,1-<i>b</i>][1,3]thiazin-4-one: an unusual [6‒5] fused-ring system","Acta Crystallographica Section C","2007","63","3","o160","o162","10.1107/S0108270107002375","","","0.71073","MolybdenumKα","","0.0428","0.0349","","","0.088","0.0933","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015867","11.387","0.002","12.135","0.003","13.804","0.003","97.48","0.03","106.37","0.03","116.39","0.04","1565.3","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-phenylbiguanidium 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate","","- C12 H16 N8 O6 -","- C12 H16 N8 O6 -","- C48 H64 N32 O24 -","4","2","HJ3031","Gustavo Portalone; Marcello Colapietro","The 1:1 cocrystals of the proton-transfer compound dilituric acid‒phenylbiguanide monohydrate","Acta Crystallographica Section C","2007","63","3","o181","o184","10.1107/S0108270107005483","","","0.710689","MoKα","","0.0672","0.0643","","","0.1877","0.1907","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015868","4.634","0.001","14.672","0.003","15.153","0.003","90","","93.11","0.03","90","","1028.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cesium aluminium bis[dihydrogen arsenate(V)] hydrogen arsenate(V)","","- Al As3 Cs H5 O12 -","- Al As3 Cs H5 O12 -","- Al4 As12 Cs4 H20 O48 -","4","1","IZ3017","Schwendtner, Karolina; Kolitsch, Uwe","CsAl(H~2~AsO~4~)~2~(HAsO~4~): a new monoclinic protonated arsenate with decorated kröhnkite-like chains","Acta Crystallographica Section C","2007","63","3","i17","i20","10.1107/S0108270106045550","","","0.71073","MoKα","","0.027","0.0243","","","0.0597","0.0612","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015869","47.506","0.008","5.392","0.002","8.288","0.002","90","","100.38","0.02","90","","2088.2","1","178","2","178","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","","- C21 H28 O8 -","- C21 H28 O8 -","- C84 H112 O32 -","4","1","JZ3053","Bats, Jan W.; Miculka, Christian; Noe, Christian R.","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","Acta Crystallographica Section C","2007","63","3","o190","o192","10.1107/S0108270107004830","","","1.5418","CuKα","","0.0366","0.0356","","","0.0987","0.1001","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015870","9.7735","0.0002","24.4098","0.0005","19.7439","0.0005","90","","93.865","0.001","90","","4699.57","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-butyl 6_benzyl-2-(3,3-diethylureido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine- 3-carboxylate","","- C24 H33 N3 O3 S -","- C24 H33 N3 O3 S -","- C192 H264 N24 O24 S8 -","8","2","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0921","0.0507","","","0.1163","0.1281","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015871","12.0595","0.0004","8.9892","0.0003","18.0483","0.0006","90","","106.503","0.001","90","","1875.93","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-2-diethylamino-5,6,7,8-tetrahydro-3-oxa-9-thia-1,7-diazafluoren-4-one","","- C20 H23 N3 O2 S -","- C20 H23 N3 O2 S -","- C80 H92 N12 O8 S4 -","4","1","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0423","0.0328","","","0.0867","0.0904","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015872","9.2927","0.0002","29.3299","0.0006","7.5645","0.0001","90","","106.015","0.001","90","","1981.72","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(7-Benzyl-4-oxo-5,6,7,8-tetrahydro-4H-3,9-dithia-1,7-diazafluoren- 2-yl)benzamide","","- C23 H19 N3 O2 S2 -","- C23 H19 N3 O2 S2 -","- C92 H76 N12 O8 S8 -","4","1","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0391","0.0332","","","0.0873","0.0904","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015873","19.068","0.006","13.431","0.004","15.92","0.005","90","","104.744","0.004","90","","3943","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-{N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine- 1κ^2^N,N')dinickel(II) bis(perchlorate)","","- C34 H44 Cl2 N8 Ni2 O10 -","- C34 H44 Cl2 N8 Ni2 O10 -","- C136 H176 Cl8 N32 Ni8 O40 -","4","0.5","SK3088","Wei Sun; Yan-Tuan Li; Zhi-Yong Wu; Ning-Yu Xiao","μ-{<i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')dinickel(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","3","m111","m113","10.1107/S010827010700282X","","","0.71073","MoKα","","0.0724","0.0407","","","0.0932","0.1129","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015874","13.9047","0.0007","5.4818","0.0003","16.8837","0.0009","90","","104.243","0.001","90","","1247.36","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-erythro-1,2-diphenyl-1,3-propanediol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","SK3092","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Stereoisomers of 1,2-diaryl-1,3-propanediols: <i>erythro</i> forms","Acta Crystallographica Section C","2007","63","3","o163","o165","10.1107/S0108270107001928","","","0.71073","MoKα","","0.0641","0.0452","","","0.1148","0.1264","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015875","11.3363","0.0009","11.3363","0.0009","11.1523","0.0013","90","","90","","120","","1241.2","0.2","274","2","274","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] thiosulfate dihydrate]","","- C10 H20 N2 Ni O9 S2 -","- C10 H20 N2 Ni O9 S2 -","- C30 H60 N6 Ni3 O27 S6 -","3","0.5","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0411","0.0353","","","0.0793","0.0818","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015876","11.2916","0.001","11.2916","0.001","23.66","0.003","90","","90","","120","","2612.5","0.5","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] sulfate methanol solvate monohydrate","","- C11 H22 N2 Ni O10 S -","- C11 H22 N2 Ni O10 S -","- C66 H132 N12 Ni6 O60 S6 -","6","1","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0915","0.0678","","","0.1346","0.1441","","","","","","0.923","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015877","10.728","0.006","7.731","0.005","8.674","0.005","90","","110.068","0.005","90","","675.7","0.7","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[μ~5~-pyrazine-2,3-dicarboxylato-cadmium(II)]","","- C6 H2 Cd N2 O4 -","- C6 H2 Cd N2 O4 -","- C24 H8 Cd4 N8 O16 -","4","1","AV3069","Yun-Yu Liu; Guang-Shan Zhu; Shi-Lun Qiu","A new two-dimensional Cd^II^ coordination polymer constructed by pyrazine-2,3-dicarboxylate","Acta Crystallographica Section C","2007","63","4","m159","m160","10.1107/S0108270107009699","","","0.71069","MoKα","","0.0253","0.0229","","","0.0535","0.0543","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015878","7.9602","0.0013","11.6135","0.0018","26.586","0.005","90","","90","","90","","2457.8","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4-Diethylmaleinimide","3,4-Diethyl-2,5-dihydro-1H-pyrrole-2,5-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C96 H132 N12 O24 -","12","3","AV3071","Bröring, Martin; Brégier, Frédérique; Kleeberg, Christian","3,4-Diethyl-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section C","2007","63","4","o225","o227","10.1107/S0108270107006737","","","0.71073","MoKα","","0.1011","0.0471","","","0.0974","0.1078","","","","","","0.8","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015879","10.78","0.0016","11.88","0.0011","11.47","0.0015","90","","114.82","0.005","90","","1333.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl N,N'-dioxide‒3-hydroxy-2-naphthoic acid (1/2)","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","AV3073","Lou, Ben-Yong; Huang, Yan-Bin","4,4'-Bipyridyl <i>N</i>,<i>N</i>'-dioxide‒3-hydroxy-2-naphthoic acid (1/2)","Acta Crystallographica Section C","2007","63","4","o246","o248","10.1107/S0108270107009717","","","0.71073","MoKα","","0.0727","0.0514","","","0.124","0.1372","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015880","11.273","0.005","9.858","0.004","8.077","0.005","90","","99.43","0.03","90","","885.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nicotinamadium perchlorate","3-(aminocarbonyl)pyridinium perchlorate","","- C6 H7 Cl N2 O5 -","- C6 H7 Cl N2 O5 -","- C24 H28 Cl4 N8 O20 -","4","1","AV3074","S. Athimoolam; S. Natarajan","Lamellar aggregation and hydrogen-bonding motifs in 3-(aminocarbonyl)pyridinium perchlorate and hydrogen oxalate","Acta Crystallographica Section C","2007","63","4","o263","o266","10.1107/S0108270107010098","","","0.71073","MoKα","","0.111","0.0706","","","0.191","0.2203","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015881","12.8295","0.0007","6.3148","0.0005","11.1883","0.0009","90","","104.95","0.012","90","","875.75","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nicotinamidium oxalate","3-(aminocarbonyl)pyridinium oxalate","","- C8 H8 N2 O5 -","- C8 H8 N2 O5 -","- C32 H32 N8 O20 -","4","1","AV3074","S. Athimoolam; S. Natarajan","Lamellar aggregation and hydrogen-bonding motifs in 3-(aminocarbonyl)pyridinium perchlorate and hydrogen oxalate","Acta Crystallographica Section C","2007","63","4","o263","o266","10.1107/S0108270107010098","","","0.71073","MoKα","","0.0577","0.0397","","","0.0989","0.1092","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015882","17.176","0.002","8.2272","0.001","5.8996","0.0007","90","","90","","90","","833.67","0.17","295","2","","","","","","","","","","4","C m c m","-C 2c 2","63","","Copper(I,II) pentachromium(III) germanate","","- Cr4.56 Cu1.44 Ge2 O12 -","- Cr4.559 Cu1.441 Ge2 O12 -","- Cr18.236 Cu5.764 Ge8 O48 -","4","0.25","BC3029","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Cu(Cu~0.44~Cr~4.56~)Ge~2~O~12~: a close-packed oxide with CuO~4~ tetrahedra","Acta Crystallographica Section C","2007","63","4","i21","i24","10.1107/S0108270107005355","","","0.71073","MoKα","","","0.0238","","","","0.0526","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015883","9.2994","0.0013","10.9817","0.0016","11.6053","0.0017","85.816","0.007","88.349","0.006","71.349","0.007","1119.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(1,3-diphenylpropane-1,3-dionato-κ^2^O,O')cobalt(II)]-μ- ethylenebis(diphenylphosphine oxide)-κ^2^O:O']","","- C56 H46 Co O6 P2 -","- C56 H46 Co O6 P2 -","- C56 H46 Co O6 P2 -","1","0.5","BG3025","Harding, David J.; Harding, Phimphaka; Thurakitseree, Theerapol; Adams, Harry","Unexpected oxidation of a diphosphine by bis(1,3-diphenylpropane-1,3-dionato)cobalt(II), [Co(dbm)~2~]","Acta Crystallographica Section C","2007","63","4","m163","m165","10.1107/S010827010700933X","","","0.71073","MoKα","","0.0976","0.0522","","","0.1115","0.128","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015884","20.1983","0.0007","14.188","0.0005","6.3","0.0002","90","","99.935","0.013","90","","1778.34","0.13","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium nicotinate","Sodium 3-pyridine-3-carboxylate","","- C6 H4 N Na O2 -","- C6 H4 N Na O2 -","- C72 H48 N12 Na12 O24 -","12","1.5","DN2134","Forsyth, Craig M.; Dean, Pamela M.; MacFarlane, Douglas R.","Sodium pyridine-3-carboxylate","Acta Crystallographica Section C","2007","63","4","m169","m170","10.1107/S0108270107009936","","","0.71073","MoKα","","0.0305","0.0291","","","0.0821","0.0835","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015885","11.1205","0.0007","11.1205","0.0007","14.843","0.001","90","","90","","120","","1589.65","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","lithium trimanganese bis[trioxoselenate(IV)] hexakis[hydrogentrioxoselenate(IV)]","","- H6 Li Mn3 O24 Se8 -","- H6 Li Mn3 O24 Se8 -","- H18 Li3 Mn9 O72 Se24 -","3","0.166667","FA3060","Johnston, Magnus G.; Harrison, William T. A.","LiMn~3~(SeO~3~)~2~(HSeO~3~)~6~","Acta Crystallographica Section C","2007","63","4","i28","i30","10.1107/S0108270107001588","","","0.71073","MoKα","","0.0366","0.0238","","","0.0485","0.0508","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015886","9.4829","0.0004","9.5307","0.0004","25.3955","0.0008","90","","90","","90","","2295.21","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((E)-{(1R,2R)-2-[(E)-(2-Hydroxy-1- naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","FA3062","Karabıyık, Hasan; Güzel, Bilgehan; Aygün, Muhittin; Boğa, Gülnaz; Büyükgüngör, Orhan","1-((<i>E</i>)-{(1<i>R</i>,2<i>R</i>)-2-[(<i>E</i>)-(2-Hydroxy-1-naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate: a Schiff base compound having both OH and NH character","Acta Crystallographica Section C","2007","63","4","o215","o218","10.1107/S0108270107005689","","","0.71073","MoKα","","0.0444","0.033","","","0.0765","0.0816","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015887","5.958","0.0005","12.2984","0.001","11.9168","0.0009","90","","90.185","0.001","90","","873.19","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-methoxybenzylidene)phenylene-1,4-diamine","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.043","0.0389","","","0.0918","0.0938","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015888","7.1825","0.0004","7.2077","0.0004","17.3048","0.001","90","","91.068","0.001","90","","895.7","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-dimethoxy-(p-phenylenedimethylene)dianiline","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.038","0.0321","","","0.0845","0.09","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015889","4.1216","0.0004","15.2474","0.0016","11.0751","0.0012","90","","90.707","0.002","90","","695.95","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-iodobenzaldehyde azine","(E,E)-1,4-bis(3-iodophenyl)-2,3-diazabuta-1,3-diene","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.0156","0.0145","","","0.0345","0.0348","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015890","11.2377","0.0002","19.8722","0.0004","11.243","0.0002","90","","90.142","0.001","90","","2510.75","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexapotassium cerium dihydrogensulfate tethrasulfate monohydrate","hexapotassium cerium dihydrogensulfate tethrasulfate monohydrate","","- Ce H2 K6 O25 S6 -","- Ce K6 O25 S6 -","- Ce4 K24 O100 S24 -","4","1","FA3068","Barbara M. Casari; Vratislav Langer","A pseudo-merohedrally twinned rare-earth sulfate: K~6~[Ce(HSO~4~)~2~(SO~4~)~4~]·H~2~O, a novel structure type","Acta Crystallographica Section C","2007","63","4","i25","i27","10.1107/S010827010700875X","","","0.71073","MoKα","","0.0439","0.0327","","","0.0822","0.0886","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015891","9.8574","0.0011","11.4847","0.0013","12.5957","0.0014","94.245","0.002","103.258","0.002","93.898","0.002","1378.8","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV)","","- C14 H18 Br10 N4 Sn -","- C14 H18 Br10 N4 Sn -","- C28 H36 Br20 N8 Sn2 -","2","1","GA3039","Al-Far, Rawhi; Ali, Basem Fares","Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV)","Acta Crystallographica Section C","2007","63","4","m137","m139","10.1107/S0108270107006452","","","0.71073","MoKα","","0.0454","0.0323","","","0.071","0.0758","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015892","4.9322","0.0002","15.3739","0.0005","16.4044","0.0005","90","","92.388","0.002","90","","1242.82","0.07","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-trans-1,2-di-4-pyridylethylene-κ^2^N:N'-μ~2~-sulfato- κ^2^O:O'-zinc(II)]","","- C12 H10 N2 O4 S Zn -","- C12 H10 N2 O4 S Zn -","- C48 H40 N8 O16 S4 Zn4 -","4","0.5","GA3040","Yi-Cheng Shen; Zhao-Ji Li; Ye-Yan Qin; Yuan-Gen Yao","Poly[μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>'-μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-zinc(II)]","Acta Crystallographica Section C","2007","63","4","m135","m136","10.1107/S0108270107007123","","","0.71073","MoKα","","","0.037","","","0.0711","0.0766","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015893","12.4717","0.0015","5.0859","0.0006","21.0412","0.0019","90","","105.243","0.011","90","","1287.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetrakis(phenoxymethyl)pyrazine","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","0.5","GA3041","Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans","2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2007","63","4","o219","o222","10.1107/S010827010700710X","","","0.71073","MoKα","","0.1268","0.0621","","","0.1223","0.1503","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015894","6.4278","0.0007","9.7152","0.0012","12.0602","0.0012","91.152","0.01","102.748","0.008","107.217","0.008","698.69","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","","- C32 H28 N2 S4 -","- C32 H28 N2 S4 -","- C32 H28 N2 S4 -","1","0.5","GA3041","Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans","2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2007","63","4","o219","o222","10.1107/S010827010700710X","","","0.71073","MoKα","","0.0418","0.033","","","0.0792","0.0821","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015895","6.7854","0.0007","10.2766","0.0011","16.0242","0.0015","101.338","0.008","94.775","0.008","99.492","0.008","1072.82","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydrooxazol-4-ylidene)methyl]phenyl 4-methylphenylsulfonate","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C48 H38 N2 O12 S2 -","2","1","GD3084","Betül Şen; Gülsiye Öztürk; Serap Alp; Aygün, Muhittin; Büyükgüngör, Orhan","2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section C","2007","63","4","o223","o224","10.1107/S0108270107005720","","","0.71073","MoKα","","0.0878","0.0503","","","0.115","0.1325","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015896","9.397","0.003","18.314","0.002","7.399","0.004","90","","90","","90","","1273.3","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","GD3088","Montaño, Ángela Marcela; Henao, José Antonio; Vargas-Méndez, Leonor Y.; Kouznetsov, Vladimir V.; Atencio, Reinaldo","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","Acta Crystallographica Section C","2007","63","4","o228","o230","10.1107/S0108270107006221","","","0.71073","MoKα","","0.0465","0.0379","","","0.0961","0.1026","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015897","12.2197","0.001","11.0048","0.0011","17.2631","0.0014","90","","90","","90","","2321.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')cobalt(II)","","- C29 H16 Co N4 O5 -","- C29 H16 Co N4 O5 -","- C116 H64 Co4 N16 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0827","0.0408","","","0.0787","0.0914","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015898","12.2618","0.0016","10.929","0.002","17.171","0.003","90","","90","","90","","2301.1","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C29 H16 N4 Ni O5 -","- C29 H16 N4 Ni O5 -","- C116 H64 N16 Ni4 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0838","0.0429","","","0.0928","0.1162","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015899","14.6737","0.0016","10.5316","0.0013","15.7783","0.0017","90","","106.666","0.009","90","","2335.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C29 H16 Cu N4 O5 -","- C29 H16 Cu N4 O5 -","- C116 H64 Cu4 N16 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0631","0.0391","","","0.0791","0.0879","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015900","7.717","0.0004","19.7883","0.0008","9.6468","0.0008","90","","128.155","0.005","90","","1158.38","0.15","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","triacetone aminium nitrate","2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C36 H72 N8 O16 -","4","1","GD3091","Rodrigues, V. H.; Cardoso, C.; Paixão, J. A.; Costa, M.M.R.R.","2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate","Acta Crystallographica Section C","2007","63","4","o243","o245","10.1107/S0108270107008268","","","1.54184","CuKα","","0.1","0.0589","","","0.1637","0.1907","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015901","8.8127","0.0007","11.5868","0.0009","13.5365","0.0011","81.433","0.006","77.957","0.006","73.665","0.006","1291.22","0.18","296","","296","","","","","","","","","7","P -1","-P 1","2","","trans-Diaqua{5,5'-[(E,E)-pyridine-2,6- diylbis(methylidynenitrilo)]bis[pyrimidine-2,4(1H,3H)-dione]}zinc(II) nitrate hexafluoridophosphate trihydrate","","- C15 H21 F6 N8 O12 P Zn -","- C15 H21 F6 N8 O12 P Zn -","- C30 H42 F12 N16 O24 P2 Zn2 -","2","1","GD3092","Özdemir, Namık; Dinçer, Muharrem; Doğaner, Gamze; Astley, Demet; Astley, Stephen T.","<i>trans</i>-Diaqua{5,5'-[(<i>E</i>,<i>E</i>)-pyridine-2,6-diylbis(methylidynenitrilo)]bis[pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]}zinc(II) nitrate hexafluorophosphate trihydrate","Acta Crystallographica Section C","2007","63","4","m147","m149","10.1107/S0108270107008633","","","0.71073","MoKα","","0.0367","0.0297","","","0.0802","0.0826","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015902","21.423","0.003","9.515","0.001","15.613","0.002","90","","90","","90","","3182.6","0.7","290","2","290","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Naphthalene-1,7-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C160 H128 O32 -","16","2","GG3057","Marciniak, Bernard","Naphthalene-1,7-diol","Acta Crystallographica Section C","2007","63","4","o252","o254","10.1107/S0108270107009109","","","0.71073","MoKα","","0.068","0.039","","","0.0946","0.1229","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015903","9.5433","0.0002","9.1416","0.0002","21.8652","0.0004","90","","90","","90","","1907.54","0.07","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","metamitron","4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71069","MoKα","","0.0486","0.0388","","","0.0947","0.0993","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015904","11.6164","0.0003","7.1361","0.0002","12.0604","0.0003","90","","112.826","0.0015","90","","921.46","0.04","150","","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isometamitron","4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71073","MoKα","","0.045","0.0375","","","0.0949","0.0991","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015905","11.483","0.004","7.612","0.003","16.903","0.006","90","","95.79","0.03","90","","1469.9","0.9","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-epoxide","3β-acetoxy-9α,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.049","0.039","","","0.092","0.098","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015906","13.356","0.006","6.233","0.013","18.104","0.016","90","","92.14","0.07","90","","1506","3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","β-epoxide","3β-acetoxy-9β,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.087","0.056","","","0.135","0.154","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015907","13.5266","0.0009","9.8617","0.0007","14.4429","0.0009","90","","112.083","0.003","90","","1785.3","0.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']cobalt(II)","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","0.5","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.0387","0.0278","","","0.0657","0.0681","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015908","13.7301","0.0006","9.8915","0.0005","14.8111","0.001","90","","112.063","0.003","90","","1864.21","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']cadmium(II)","","- C18 H16 Cd N6 O6 -","- C18 H16 Cd N6 O6 -","- C72 H64 Cd4 N24 O24 -","4","0.5","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.039","0.0327","","","0.0825","0.086","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015909","13.4483","0.0004","10.0101","0.0003","14.4749","0.0005","90","","111.674","0.002","90","","1810.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']copper(II)","","- C18 H16 Cu N6 O6 -","- C18 H16 Cu N6 O6 -","- C72 H64 Cu4 N24 O24 -","4","1","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.0556","0.0377","","","0.0946","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2015910","16.581","0.003","4.7819","0.001","19.23","0.004","90","","100.674","0.003","90","","1498.3","0.5","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-4,4'-bipyridine-di-μ~3~-sulfito-dizinc(II)] monohydrate]","","- C10 H10 N2 O7 S2 Zn2 -","- C10 H10 N2 O7 S2 Zn2 -","- C40 H40 N8 O28 S8 Zn8 -","4","0.5","HJ3032","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Poly[[μ~2~-4,4'-bipyridine-di-μ~3~-sulfito-dizinc(II)] monohydrate]","Acta Crystallographica Section C","2007","63","4","m157","m158","10.1107/S0108270107009535","","","0.71073","MoKα","","0.0449","0.0342","","","0.0835","0.0891","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015911","7.73","0.002","20.439","0.003","13.321","0.002","90","","104.169","0.018","90","","2040.6","0.7","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetato(2,2'-{iminobis[(<i>E</i>)-propane-3,1- diylnitrilomethylylidyne]}diphenolato)cobalt(III)","","- C22 H26 Co N3 O4 -","- C22 H26 Co N3 O4 -","- C88 H104 Co4 N12 O16 -","4","1","JZ3056","Munro, Orde Q.; Govender, Santham","A new polymorph of a cobalt(III) Schiff base complex exhibits a one-dimensional C—H···O hydrogen-bonded extended structure with helical 2~1~ symmetry","Acta Crystallographica Section C","2007","63","4","m150","m152","10.1107/S0108270107007494","","","0.71073","MoKα","","","0.0332","","","","0.0827","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015912","7.01","0.0005","33.052","0.002","24.2496","0.0017","90","","90","","90","","5618.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(adeninium) phthalate phthalic acid 1.45-hydrate","","- C26 H24.91 N10 O9.45 -","- C26 H24.908 N10 O9.454 -","- C208 H199.264 N80 O75.632 -","8","1","LN3036","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate","Acta Crystallographica Section C","2007","63","4","o212","o214","10.1107/S0108270107006300","","","0.71073","MoKα","","0.0437","0.0399","","","0.1015","0.1044","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015913","7.2265","0.0014","9.698","0.0019","12.319","0.003","96.69","0.03","93.34","0.03","90.29","0.03","856","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(oxydiacetato- κ^3^O,O',O'')cobalt(II) trihydrate","","- C10 H18 Co N4 O9 S2 -","- C10 H18 Co N4 O9 S2 -","- C20 H36 Co2 N8 O18 S4 -","2","1","LN3044","Zhi-Yong Wu; Wei Sun; Yan-Tuan Li","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) trihydrate","Acta Crystallographica Section C","2007","63","4","m177","m180","10.1107/S0108270107011468","","","0.71073","MoKα","","0.0374","0.0303","","","0.0748","0.0783","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015914","7.0927","0.0014","10.092","0.002","10.633","0.002","101.76","0.03","96.29","0.03","98.09","0.03","730.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(4,4'-bipyridinium) diaquadioxalatoferrate(II) bis(hydrogen oxalate)","","- C28 H26 Fe N4 O18 -","- C28 H26 Fe N4 O18 -","- C28 H26 Fe N4 O18 -","1","0.5","SF3025","Xin Yang; Jiang Li; Xin-Hua Zhao; Hai-Wen Wang; Yong-Kui Shan","Hydrogen bonding and π‒π stacking in the three-dimensional supramolecular complex bis(4,4'-bipyridinium) diaquadioxalatoferrate(II) bis(hydrogen oxalate)","Acta Crystallographica Section C","2007","63","4","m171","m173","10.1107/S0108270107006440","","","0.71073","MoKα","","0.0767","0.0527","","","0.1112","0.1228","","","","","","1.076","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2015915","31.578","0.014","8.006","0.004","12.006","0.006","90","","90","","90","","3035","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^O^3^,O^3'^:O^5^,O^5'^- bis[chloro(1,10-phenanthroline-κ^2^N,N')zinc(II)]","","- C33 H23 Cl2 N5 O4 Zn2 -","- C33 H23 Cl2 N5 O4 Zn2 -","- C132 H92 Cl8 N20 O16 Zn8 -","4","1","SF3026","Yan-Ting He; Kun-Lin Huang; Chang-Wen Hu; Wan-Long Pan; Ying-Nan Chi","A new two-dimensional supramolecule composed of μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^-bis[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]","Acta Crystallographica Section C","2007","63","4","m161","m162","10.1107/S0108270107009663","","","0.71073","MoKα","","0.0914","0.0465","","","0.0744","0.0887","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015916","14.3288","0.0005","12.0353","0.0004","13.1364","0.0005","90","","108.131","0.001","90","","2152.91","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate","","- C17 H28 Cl F3 Ge N2 O5 S -","- C17 H28 Cl F3 Ge N2 O5 S -","- C68 H112 Cl4 F12 Ge4 N8 O20 S4 -","4","1","SK3085","Komissarov, Eugene A.; Korlyukov, Alexander A.; Kramarova, Eugeniya P.; Bylikin, Sergey Yu.; Negrebetsky, Vadim V.; Baukov, Yuri I.","Chloridobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate","Acta Crystallographica Section C","2007","63","4","m144","m146","10.1107/S0108270107008736","","","0.71073","MoKα","","0.0503","0.0293","","","0.0612","0.0648","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015917","7.0932","0.0003","8.2032","0.0004","10.0526","0.0004","66.613","0.002","88.822","0.003","77.387","0.003","522.49","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Acetone 2,4-dinitrophenylhydrazone","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C18 H20 N8 O8 -","2","1","SK3098","Wardell, James L.; Low, John N.; Glidewell, Christopher","A re-examination of supramolecular aggregation in two polymorphs of acetone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2007","63","4","o231","o233","10.1107/S0108270107006981","","","0.71073","MoKα","","0.0553","0.0413","","","0.1068","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015918","8.2526","0.0006","6.521","0.0002","19.7707","0.0002","90","","90","","90","","1063.96","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl N-[2-(hydroxyacetyl)phenyl]carbamate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.71073","MoKα","","0.0515","0.0399","","","0.0997","0.1062","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015919","4.7535","0.0002","15.7179","0.0004","16.07","0.0005","90","","97.123","0.002","90","","1191.4","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl N-[2-(hydroxyacetyl)-4-iodophenyl]carbamate","","- C11 H12 I N O4 -","- C11 H12 I N O4 -","- C44 H48 I4 N4 O16 -","4","1","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.71073","MoKα","","0.0527","0.039","","","0.0715","0.0773","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015920","7.085","0.007","10.711","0.011","15.587","0.016","87.916","0.011","80.861","0.013","89.664","0.011","1167","2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","2","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.7848","synchrotron(Clegg,2000)","","0.1117","0.0836","","","0.2284","0.2454","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015921","8.662","0.0009","15.682","0.0012","15.691","0.0013","80.501","0.009","85.131","0.011","85.19","0.011","2089.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","dibromidotetrakis(tetrahydrofuran-κO)magnesium","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C64 H128 Br8 Mg4 O16 -","4","2","SK3104","Lorbach, Andreas; Lerner, Hans-Wolfram; Bolte, Michael","A twinned triclinic polymorph of dibromidotetrakis(tetrahydrofuran-κ<i>O</i>)magnesium(II)","Acta Crystallographica Section C","2007","63","4","m174","m176","10.1107/S0108270107010694","","","0.71073","MoKα","","0.1163","0.0872","","","0.2211","0.2321","","","","","","1.438","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015922","9.1548","0.0005","9.3937","0.0005","16.7305","0.001","90","","90","","90","","1438.78","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxy-1-methylethyl)phthalamide","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","SQ3062","Guzei, Ilia A.; Spencer, Lara C.; McGaff, Robert W.; Kieler, Heidi M.; Robinson, Jerome R.","Constructor graph description of hydrogen bonding in a supramolecular assembly of <i>N</i>,<i>N</i>'-bis(2-hydroxy-1-methylethyl)phthalamide","Acta Crystallographica Section C","2007","63","4","o255","o258","10.1107/S0108270107009146","","","0.71073","Mo-Kα","","0.0399","0.0317","","","0.0785","0.0832","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015923","14.3378","0.0017","9.1666","0.0011","16.2696","0.0019","90","","100.711","0.002","90","","2101","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl ethyl 2-(triphenylphosphoranylidene)malonate","","- C24 H23 O4 P -","- C24 H23 O4 P -","- C96 H92 O16 P4 -","4","1","SQ3064","Fernando Castañeda; Carolina Jullian; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","Differences in the crystal structures of two dialkyl diester triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","4","o267","o270","10.1107/S0108270107010542","","","0.71073","MoKα","","0.1185","0.0651","","","0.1351","0.153","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015924","10.1031","0.0008","14.6961","0.0011","26.756","0.002","90","","92.734","0.001","90","","3968.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-(triphenylphosphoranylidene)malonate","","- C23 H21 O4 P -","- C23 H21 O4 P -","- C184 H168 O32 P8 -","8","2","SQ3064","Fernando Castañeda; Carolina Jullian; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","Differences in the crystal structures of two dialkyl diester triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","4","o267","o270","10.1107/S0108270107010542","","","0.71073","MoKα","","0.0825","0.056","","","0.1307","0.1451","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015925","5.7982","0.0005","13.0702","0.0012","15.554","0.0012","90","","108.191","0.003","90","","1119.83","0.17","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-chloro-2-oxo-2H-chromene-3-carboxylate","","- C12 H9 Cl O4 -","- C12 H9 Cl O4 -","- C48 H36 Cl4 O16 -","4","1","SU3001","Rocio J. Santos-Contreras; Francisco J. Martínez-Martínez; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Ana L. Peraza; Herbert Höpfl","Carbonyl‒carbonyl, carbonyl‒π and carbonyl‒halogen dipolar interactions as the directing motifs of the supramolecular structure of ethyl 6-chloro-2-oxo-2<i>H</i>-chromene-3-carboxylate and ethyl 6-bromo-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section C","2007","63","4","o239","o242","10.1107/S0108270107008712","","","0.71073","MoKα","","0.0617","0.0554","","","0.1497","0.1552","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015926","5.8432","0.0006","13.2073","0.0014","15.6959","0.0015","90","","109.327","0.003","90","","1143","0.2","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate","","- C12 H9 Br O4 -","- C12 H9 Br O4 -","- C48 H36 Br4 O16 -","4","1","SU3001","Rocio J. Santos-Contreras; Francisco J. Martínez-Martínez; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Ana L. Peraza; Herbert Höpfl","Carbonyl‒carbonyl, carbonyl‒π and carbonyl‒halogen dipolar interactions as the directing motifs of the supramolecular structure of ethyl 6-chloro-2-oxo-2<i>H</i>-chromene-3-carboxylate and ethyl 6-bromo-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section C","2007","63","4","o239","o242","10.1107/S0108270107008712","","","0.71073","MoKα","","0.0612","0.0446","","","0.1133","0.1226","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015927","6.4451","0.0001","13.9619","0.0002","14.0081","0.0002","90","","90","","90","","1260.53","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","AV3076","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Kafarska, Karolina; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. V. (4a<i>S</i>,7<i>R</i>,8a<i>R</i>)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2007","63","5","o280","o282","10.1107/S0108270107011821","","","1.54178","CuKα","","0.0345","0.0341","","","0.0969","0.0974","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015928","10.3441","0.0005","21.4937","0.001","15.4717","0.0007","90","","125.629","0.003","90","","2795.9","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]bromido(η^4^-cycloocta-1,5-diene)rhodium(I)","","- C29 H20 Br F10 N2 Rh -","- C29 H20 Br F10 N2 Rh -","- C116 H80 Br4 F40 N8 Rh4 -","4","1","AV3078","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","[1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]bromido(η^4^-cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section C","2007","63","5","m228","m230","10.1107/S0108270107015417","","","0.71073","MoKα","","0.0509","0.0379","","","0.0949","0.1005","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015929","9.5188","0.0004","15.4474","0.0007","17.8238","0.0008","90","","93.833","0.001","90","","2615","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(4-pyridylmethyl)oxalamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C112 H112 N32 O16 -","8","2","AV3082","Lee, Gene-Hsiang; Wang, Hsin-Ta","Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate]","Acta Crystallographica Section C","2007","63","5","m216","m219","10.1107/S0108270107014527","","","0.71073","MoKα","","0.0825","0.0602","","","0.1322","0.1427","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015930","7.4566","0.0002","11.8572","0.0004","22.6024","0.0007","90","","90","","90","","1998.38","0.11","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-poly[[[dichloridocobalt(II)]-μ-N,N'-bis(4-4-pyridylmethyl)oxalamide- κ^2^N:N'] hemihydrate]","","- C14 H15 Cl2 Co N4 O2.5 -","- C14 H15 Cl2 Co N4 O2.5 -","- C56 H60 Cl8 Co4 N16 O10 -","4","0.5","AV3082","Lee, Gene-Hsiang; Wang, Hsin-Ta","Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate]","Acta Crystallographica Section C","2007","63","5","m216","m219","10.1107/S0108270107014527","","","0.71073","MoKα","","0.0889","0.0602","","","0.1747","0.1889","","","","","","1.186","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015931","30.895","0.004","5.5976","0.0007","9.7522","0.0013","90","","90.027","0.002","90","","1686.5","0.4","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","Ammonium trisilver bis[fluorophosphate(V)]","","- Ag3 F2 H4 N O6 P2 -","- Ag3 F2 N O6 P2 -","- Ag24 F16 N8 O48 P16 -","8","2","BC3036","Weil, Matthias","NH~4~Ag~3~(PO~3~F)~2~, a layered monofluorophosphate(V) with seven different Ag sites","Acta Crystallographica Section C","2007","63","5","i31","i33","10.1107/S0108270107008967","","","0.71073","MoKα","","0.0381","0.0322","","","0.0733","0.0762","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015932","7.6699","0.0008","10.2612","0.0011","7.6571","0.0008","90","","100.004","0.002","90","","593.47","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dizinc selenium trioxo dichloride","Dizinc selenium dichloride trioxide","","- Cl2 O3 Se Zn2 -","- Cl2 O3 Se Zn2 -","- Cl8 O12 Se4 Zn8 -","4","1","BC3038","Johnsson, Mats; Törnroos, Karl W.","Zinc selenium oxochloride, β-Zn~2~(SeO~3~)Cl~2~, a synthetic polymorph of the mineral sophiite","Acta Crystallographica Section C","2007","63","5","i34","i36","10.1107/S0108270107012541","","","0.71073","MoKα","","0.0154","0.0133","","","0.0312","0.0318","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015933","19.2178","0.0004","5.8299","0.0001","11.9673","0.0002","90","","112.287","0.002","90","","1240.63","0.04","120","2","393","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[Diaquabis(isothiocyanato)iron(II)]-μ-4,4'-bi-1,2,4-triazole]","","- C6 H8 Fe N8 O2 S2 -","- C6 H8 Fe N8 O2 S2 -","- C24 H32 Fe4 N32 O8 S8 -","4","0.5","BG3030","Pillet, Sébastien; Lecomte, Claude","<i>catena</i>-Poly[[diaquadiisothiocyanatoiron(II)]-μ-4,4'-bi-1,2,4-triazole]: a one-dimensional coordination polymer","Acta Crystallographica Section C","2007","63","5","m184","m186","10.1107/S010827010701030X","","","0.71073","MoKα","","0.0324","0.0278","","","0.0704","0.073","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015934","10.472","0.001","10.2339","0.0007","14.518","0.002","90","","99.051","0.009","90","","1536.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium bis(tetraethylammonium) hexacyanoferrate(III) trihydrate","","- C22 H50 Fe N9 O3 -","- C22 H50 Fe N9 O3 -","- C44 H100 Fe2 N18 O6 -","2","0.5","DN3040","Miroslava Matiková Maľarová; Juraj Černák; Werner Massa","Ammonium bis(tetraethylammonium) hexacyanidoferrate(III) trihydrate","Acta Crystallographica Section C","2007","63","5","m187","m189","10.1107/S0108270107010499","","","0.71069","MoKα","","0.0661","0.0388","","","0.0928","0.0999","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015935","6.089","0.0007","15.3562","0.0009","23.1522","0.0011","90","","90","","90","","2164.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3,5-Bis[(E)-benzylidene]-1-(1-phenylethyl)piperidin-4-one","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0792","0.0319","","","0.0743","0.0934","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015936","6.6409","0.0003","12.9466","0.0001","13.1274","0.0008","90","","94.2","0.016","90","","1125.62","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-bis[(E)-4-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C54 H46 Cl4 N2 O2 -","2","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0598","0.049","","","0.1296","0.1392","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015937","25.746","0.005","6.1251","0.0009","16.1829","0.0019","90","","113.55","0.01","90","","2339.4","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3,5-bis[(E)-2-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C108 H92 Cl8 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0588","0.034","","","0.0761","0.0858","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015938","9.4426","0.0001","8.3584","0.0001","15.7881","0.0003","90","","103.213","0.002","90","","1213.09","0.03","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis(dimethyl sulfoxide-κO)bis(3-oxoquinoxaline-2-carboxylato-κ^2^N^1^,O^2^)copper(II)","","- C22 H22 Cu N4 O8 S2 -","- C22 H22 Cu N4 O8 S2 -","- C44 H44 Cu2 N8 O16 S4 -","2","0.5","FA3073","Popović, Zora; Pavlović, Gordana; Kukovec, Boris‒Marko","<i>trans</i>-Bis(dimethyl sulfoxide-κ<i>O</i>)bis(3-oxo-3,4-dihydroquinoxaline-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II)","Acta Crystallographica Section C","2007","63","5","m181","m183","10.1107/S0108270107010979","","","0.71073","MoKα","","0.0425","0.0348","","","0.0818","0.0871","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015939","10.384","0.002","8.187","0.001","13.013","0.003","90","","111.75","0.02","90","","1027.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate","","- C6 H8 F3 N5 O2 -","- C6 H8 F3 N5 O2 -","- C24 H32 F12 N20 O8 -","4","1","FA3075","Genivaldo Júlio Perpétuo; Jan Janczak","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate","Acta Crystallographica Section C","2007","63","5","o271","o273","10.1107/S0108270107010165","","","0.71073","MoKα","","0.0907","0.0529","","","0.1489","0.1654","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015940","7.12899","0.00002","7.93194","0.00003","7.17658","0.00002","90","","90","","90","","405.812","0.002","4.5","","","","","","","","","","","4","C m c m","-C 2c 2","63","dimethyl sulfone","Perdeuterodimethyl sulfone","","- C2 D6 O2 S -","- C2 D6 O2 S -","- C8 D24 O8 S4 -","4","0.25","FA3079","Ibberson, R. M.","Neutron powder diffraction study of perdeuterodimethyl sulfone","Acta Crystallographica Section C","2007","63","5","o292","o294","10.1107/S0108270107012164","","neutron","","time-of-flightneutron","","","","","","","","","","1.98","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015941","9.8171","0.0006","10.4167","0.0011","10.1713","0.0012","90","","112.078","0.009","90","","963.87","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminobenzoic acid bis(L-proline)","4-Aminobenzoic acid‒L-proline (1/2) monohydrate","","- C17 H27 N3 O7 -","- C17 H27 N3 O7 -","- C34 H54 N6 O14 -","2","1","FA3080","S. Athimoolam; S. Natarajan","Hydrogen-bonding features in the 1:2 adduct of 4-aminobenzoic acid and <small>L</small>-proline","Acta Crystallographica Section C","2007","63","5","o283","o286","10.1107/S0108270107013832","","","0.71073","MoKα","","0.0522","0.044","","","0.109","0.1149","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015942","9.806","0.0003","10.182","0.0003","13.818","0.002","97.035","0.006","104.455","0.006","96.171","0.003","1312.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenyl-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C32 H28 N6 O -","- C32 H28 N6 O -","- C64 H56 N12 O2 -","2","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1022","0.0504","","","0.1143","0.1461","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015943","30.303","0.003","11.349","0.0016","20.344","0.003","90","","131.01","0.005","90","","5279.5","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(1H-indol-3-yl)-3-methyl-4-(4-methoxyphenyl)-1-phenyl-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C32 H28 N6 O2 -","- C32 H28 N6 O2 -","- C256 H224 N48 O16 -","8","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1361","0.0686","","","0.1777","0.2373","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015944","8.8241","0.001","11.9901","0.0009","12.913","0.0017","99.372","0.009","108.822","0.012","90.994","0.007","1272.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-(1H-indol-3-yl)-3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C31 H25 N5 O3 -","- C31 H25 N5 O3 -","- C62 H50 N10 O6 -","2","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1363","0.0549","","","0.1167","0.1515","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015945","6.4641","0.0004","7.8224","0.0005","18.6122","0.0013","90","","90","","90","","941.12","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(Ammoniomethyl)-5-methylhexanoate","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","GA3046","Venu, Nalivela; Vishweshwar, Peddy; Ram, Thaimattam; Surya, Devarakonda; Apurba, Bhattacharya","(<i>S</i>)-3-(Ammoniomethyl)-5-methylhexanoate (pregabalin)","Acta Crystallographica Section C","2007","63","5","o306","o308","10.1107/S0108270107016952","","","0.7107","MoKα","","","0.051","","","","0.056","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015947","10.7451","0.0004","11.0327","0.0004","31.2265","0.0012","90","","90","","90","","3701.8","0.2","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[methyl 4-O-benzyl-2,3,6-tri-O-(2-picolyl)-α-D-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate","","- C32 H41 Cl2 Co N3 O17 -","- C32 H41 Cl2 Co N3 O17 -","- C128 H164 Cl8 Co4 N12 O68 -","4","1","GD3097","Cisnetti, Federico; Guillot, Regis; Thérisod, Michel; Policar, Clotilde","Diaqua[methyl 4-<i>O</i>-benzyl-2,3,6-tri-<i>O</i>-(2-picolyl)-α-<small>D</small>-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate: partial coordination of a ligand derived from <small>D</small>-mannose","Acta Crystallographica Section C","2007","63","5","m201","m203","10.1107/S0108270107013522","","","0.71073","MoKα","","0.0377","0.0317","","","0.0686","0.0702","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015948","26.709","0.005","25.884","0.005","3.779","0.001","90","","90","","90","","2612.6","1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Triamino-1,3,5-triazine‒1H-isoindole-1,3(2H)-dione (1/3)","","- C27 H21 N9 O6 -","- C27 H21 N9 O6 -","- C108 H84 N36 O24 -","4","0.5","GG3088","Genivaldo Júlio Perpétuo; Jan Janczak","2,4,6-Triamino-1,3,5-triazine‒1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (1/3)","Acta Crystallographica Section C","2007","63","5","o301","o302","10.1107/S0108270107015880","","","0.71073","MoKα","","0.0567","0.0336","","","0.0818","0.0923","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015949","11.2058","0.0002","12.7677","0.0002","15.0499","0.0003","90","","99.3278","0.0009","90","","2124.75","0.07","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[(1-Phenylsulfonyl-1H-indol-3-yl)methylene]-1-azabicyclo[2.2.2]octan-3-one semicarbazone","","- C23 H23 N5 O3 S -","- C23 H23 N5 O3 S -","- C92 H92 N20 O12 S4 -","4","1","HJ3030","Sonar, Vijayakumar N.; M. Venkatraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-[(1-Phenylsulfonyl-1<i>H</i>-indol-3-yl)methylene]-1-azabicyclo[2.2.2]octan-3-one semicarbazone","Acta Crystallographica Section C","2007","63","5","o277","o279","10.1107/S0108270107006129","","","0.71073","MoKα","","0.0587","0.0396","","","0.1012","0.1109","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015950","9.7596","0.0002","10.1025","0.0002","10.7227","0.0002","80.173","0.001","76.633","0.001","71.442","0.001","969.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-{[(4-Methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate","","- C20 H19 N O5 S2 -","- C20 H19 N O5 S2 -","- C40 H38 N2 O10 S4 -","2","1","HJ3033","Morgans, G. L.; Scalzullo, S. M.; Fernandes, M. A.; Michael, J. P.; van Otterlo, W. A. L.","2-{[(4-Methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section C","2007","63","5","o309","o311","10.1107/S0108270107015430","","","0.71073","MoKα","","0.0454","0.0383","","","0.1007","0.1046","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015951","7.4094","0.0002","12.6262","0.0005","14.0648","0.0005","90","","94.26","0.001","90","","1312.16","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[3-aminopyridinium μ~3~-hydroxido-di-μ~3~-sulfato-bis[aquasulfatocopper(II)]]","","- C5 H12 Cu2 N2 O11 S2 -","- C5 H12 Cu2 N2 O11 S2 -","- C20 H48 Cu8 N8 O44 S8 -","4","1","HJ3034","Lah, Nina; Leban, Ivan; Giester, Gerald","A new copper(II) basic sulfate: poly[3-aminopyridinium μ~3~-hydroxido-di-μ~3~-sulfato-bis[aquacopper(II)]]","Acta Crystallographica Section C","2007","63","5","m222","m224","10.1107/S0108270107013285","","","0.71073","MoKα","","0.0205","0.0199","","","0.0526","0.0528","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015952","6.5347","0.0005","7.517","0.0008","12.4428","0.0005","80.022","0.006","80.203","0.005","67.25","0.008","551.54","0.08","294","","294","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^O:O')bis[(formato-κO)copper(II)]","","- C12 H20 Cu2 N4 O12 S2 -","- C12 H20 Cu2 N4 O12 S2 -","- C12 H20 Cu2 N4 O12 S2 -","1","0.5","HJ3035","Sieroń, Lesław","Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-bis[(formato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2007","63","5","m199","m200","10.1107/S0108270107013303","","","0.71073","MoKα","","0.0316","0.0249","","","0.0672","0.072","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015953","8.6963","0.0004","24.5966","0.0011","14.3247","0.0007","90","","90","","90","","3064","0.2","105","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9H-purine","","- C17 H13 Cl N4 O2 -","- C17 H13 Cl N4 O2 -","- C136 H104 Cl8 N32 O16 -","8","2","LN3042","Braendvang, Morten; Gundersen, Lise-Lotte","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9<i>H</i>-purine","Acta Crystallographica Section C","2007","63","5","o274","o276","10.1107/S0108270107011596","","","0.71073","MoKα","","","0.0385","","","","0.088","","","","","","0.891","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015954","5.4331","0.0002","10.6173","0.0004","19.189","0.0005","90","","97.771","0.002","90","","1096.75","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetraaquaberyllium 4-oxo-4H-pyran-2,6-dicarboxylate","","- C7 H10 Be O10 -","- C7 H10 Be O10 -","- C28 H40 Be4 O40 -","4","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0463","0.0369","","","0.1029","0.118","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015955","6.4669","0.0002","7.0797","0.0003","18.8278","0.0006","90","","97.372","0.002","90","","854.88","0.05","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","hydrazinium(2+) diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)calcate","","- C14 H14 Ca N2 O14 -","- C14 H14 Ca N2 O14 -","- C28 H28 Ca2 N4 O28 -","2","0.5","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0378","0.0363","","","0.1111","0.1161","","","","","","1.204","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015956","7.4343","0.0002","10.1176","0.0003","10.229","0.0003","61.935","0.002","78.219","0.003","69.061","0.002","633.49","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","bis(μ-4-oxo-4H-pyran-2,6-dicarboxylato)bis[tetraaquamanganese(II)] tetrahydrate","","- C14 H28 Mn2 O24 -","- C14 H28 Mn2 O24 -","- C14 H28 Mn2 O24 -","1","0.5","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0438","0.0302","","","0.0679","0.0737","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015957","4.9593","0.0006","9.8973","0.0014","10.4697","0.0012","94.237","0.009","94.955","0.009","97.353","0.006","505.88","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","tetraaqua(4-oxo-4H-pyran-2,6-dicarboxylato)copper(II)","","- C7 H10 Cu O10 -","- C7 H10 Cu O10 -","- C14 H20 Cu2 O20 -","2","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0572","0.052","","","0.15","0.1559","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015958","5.3262","0.0002","6.2885","0.0002","8.1008","0.0003","97.733","0.002","105.055","0.0017","110.436","0.0018","237.795","0.015","120","2","120","2","","","","","","","","4","P 1","P 1","1","","diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)cadmium monohydrate","","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","1","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0179","0.0179","","","0.0419","0.0419","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015959","8.9567","0.0018","11.118","0.002","11.568","0.002","106.71","0.03","98.67","0.03","99.21","0.03","1065.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)cadmium(II) trihydrate","","- C18 H18 Cd Cl2 N6 O3 -","- C18 H18 Cd Cl2 N6 O3 -","- C36 H36 Cd2 Cl4 N12 O6 -","2","1","LN3046","Xie, Hong-Zhen; Pan, Wei-Juan","A planar cyclic hexamer of water molecules in dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)cadmium(II) trihydrate","Acta Crystallographica Section C","2007","63","5","m204","m206","10.1107/S0108270107015703","","","0.71073","MoKα","","0.0468","0.0393","","","0.1099","0.1138","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015960","11.6289","0.0017","12.179","0.002","3.8538","0.0007","90","","90","","90","","545.81","0.16","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","[HgCl~2~(4,4'-Bipy)]~n~","poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chloro-mercury(II)]","","- C10 H8 Cl2 Hg N2 -","- C10 H8 Cl2 Hg N2 -","- C20 H16 Cl4 Hg2 N4 -","2","0.125","LN3048","Yi-Ming Xie; Ji-Huai Wu","The layered compound poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section C","2007","63","5","m220","m221","10.1107/S0108270107016800","","","0.71073","MoKα","","0.0188","0.0188","","","0.0451","0.0451","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015961","6.971","0.0002","10.9014","0.0003","18.3749","0.0006","90","","93.631","0.002","90","","1393.57","0.07","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.0781","0.0554","","","0.1272","0.1399","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015962","6.8247","0.0006","7.9273","0.0005","14.4038","0.001","82.558","0.005","88.133","0.004","75.075","0.005","746.63","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate","","- C13 H16 N4 O7 -","- C13 H16 N4 O7 -","- C26 H32 N8 O14 -","2","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.093","0.0644","","","0.156","0.1745","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015963","7.3245","0.0002","15.8349","0.0006","8.9264","0.0003","90","","105.251","0.002","90","","998.85","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-amino-4,6-dimethoxypyrimidinium hydrogen L-tartrate 2-amino-4,6-dimethoxypyrimidine","","- C16 H24 N6 O10 -","- C16 H24 N6 O10 -","- C32 H48 N12 O20 -","2","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.0564","0.0491","","","0.1056","0.1103","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015964","6.4711","0.0013","9.781","0.002","12.524","0.003","90","","90","","90","","792.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-carbamoyl-L-proline","(2S)-1-Carbamoylpyrrolidine-2-carboxylic acid","","- C6 H10 N2 O3 -","- C6 H10 N2 O3 -","- C24 H40 N8 O12 -","4","1","SK3108","Seijas, Luis E.; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Briceño, Alexander","(2<i>S</i>)-1-Carbamoylpyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2007","63","5","o303","o305","10.1107/S0108270107014102","","","0.7107","MoKα","","0.0574","0.0478","","","0.1227","0.1322","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015965","5.1056","0.0003","16.5856","0.001","9.6587","0.0006","90","","99.962","0.001","90","","805.56","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate)","","- C12 H12 B2 F8 N4 -","- C12 H12 B2 F8 N4 -","- C24 H24 B4 F16 N8 -","2","0.5","SK3115","Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","5","o312","o314","10.1107/S0108270107015764","","","0.71073","MoKα","","0.0604","0.04","","","0.1056","0.1189","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015966","15.0896","0.0006","11.5525","0.0005","7.8694","0.0003","90","","90","","90","","1371.81","0.1","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-[4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C48 H44 Cl4 N16 O16 -","4","1","SK3115","Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","5","o312","o314","10.1107/S0108270107015764","","","0.71073","MoKα","","0.0415","0.0322","","","0.0779","0.0822","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015967","10.89","0.002","7.7642","0.0016","12.272","0.003","90","","111.87","0.03","90","","962.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(N,N-dimethylformamide-κO)manganese(II)]-μ~3~-sulfato]","","- C3 H11 Mn N O7 S -","- C3 H11 Mn N O7 S -","- C12 H44 Mn4 N4 O28 S4 -","4","1","SQ3072","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[diaqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)manganese(II)]-μ~3~-sulfato]","Acta Crystallographica Section C","2007","63","5","m225","m227","10.1107/S010827010701791X","","","0.71073","MoKα","","0.0209","0.0201","","","0.0547","0.0552","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015968","20.3809","0.0008","9.5957","0.0003","15.737","0.0006","90","","90","","90","","3077.67","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","cis-dichloro(phenanthrolinedione) trans-dipyridinecobalt(II) pyridine solvate","<i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^N,N')-<i>trans</i>- dipyridinecobalt(II) pyridine disolvate","","- C32 H26 Cl2 Co N6 O2 -","- C32 H26 Cl2 Co N6 O2 -","- C128 H104 Cl8 Co4 N24 O8 -","4","1","SU3002","Cédric Desroches; Lars Öhrström","Transformations of the chameleon ligand 1,10-phenanthroline-5,6-dione/diol: <i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-dipyridinecobalt(II) pyridine disolvate prepared from the diol","Acta Crystallographica Section C","2007","63","5","m190","m192","10.1107/S0108270107010554","","","0.71073","MoKα","","0.1038","0.0511","","","0.125","0.1267","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015969","39.627","0.002","22.3406","0.0011","23.7155","0.001","90","","107.687","0.002","90","","20002.7","1.7","90","0.2","90","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Octakis(ε-caprolactam-κO)erbium(III) hexaisothiocyanatochromate(III)","","- C54 H88 Cr Er N14 O8 S6 -","- C54 H88 Cr Er N14 O8 S6 -","- C648 H1056 Cr12 Er12 N168 O96 S72 -","12","1.5","SU3006","Elisaveta V. Cherkasova; Eugenia V. Peresypkina; Alexander V. Virovets; Nina V. Podberezskaya; Tatyana G. Cherkasova","Octakis(ε-caprolactam-κ<i>O</i>)erbium(III) hexaisothiocyanatochromate(III)","Acta Crystallographica Section C","2007","63","5","m195","m198","10.1107/S0108270107015181","","","0.71073","MoKα","","0.0968","0.0449","","","0.0801","0.1007","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015970","8.314","0.002","6.968","0.002","19.46","0.002","90","","90.645","0.005","90","","1127.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2- oxidobenzylidene-κO^2^)glycinato-κ^3^N,O':O'] monohydrate]","","- C10 H11 Cu N O7 -","- C10 H11 Cu N O7 -","- C40 H44 Cu4 N4 O28 -","4","1","AV3081","Cai, Jin-Hua; Wu, Zhi-Hong; Huang, Ying-Heng; Yin, Xu-Ju; Jiang, Yi-Min","A novel helical copper complex: <i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2-oxidobenzylidene-κ<i>O</i>^2^)glycinato-κ^3^<i>N</i>,<i>O</i>':<i>O</i>'] monohydrate]","Acta Crystallographica Section C","2007","63","6","m267","m269","10.1107/S0108270107019312","","","0.71073","MoKα","","0.0581","0.0525","","","0.147","0.1499","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015971","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Aspartic acid","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of <i>L</i>-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0451","0.0428","","","0.0402","0.019","","","","","","1.467","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015972","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of <i>L</i>-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0532","0.0553","","","0.0522","0.0255","","","","","","1.883","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015973","10.184","0.002","10.842","0.001","11.034","0.002","98.72","0.03","110.42","0.02","92.42","0.03","1122.6","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate","","- C23 H23 N5 O7 -","- C23 H23 N5 O7 -","- C46 H46 N10 O14 -","2","1","AV3088","Zhi-Feng Li; Ping Wang; Qian Zhang; Zao-Ming Chen; Chun-Xiang Wang","2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate","Acta Crystallographica Section C","2007","63","6","o369","o370","10.1107/S0108270107021920","","","0.71073","MoKα","","0.107","0.0527","","","0.1195","0.1388","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015974","13.307","0.002","5.0336","0.0005","12.1142","0.0018","90","","116.218","0.005","90","","727.95","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^O:O']","","- C14 H12 O8 S Zn -","- C14 H12 O8 S Zn -","- C28 H24 O16 S2 Zn2 -","2","0.5","BM3026","Peng-Bin Pan; Lei Zhang; Zhao-Ji Li; Xin-Yi Cao; Yuan-Gen Yao","<i>catena</i>-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2007","63","6","m270","m272","10.1107/S0108270107008244","","","0.71073","MoKα","","0.0453","0.037","","","0.0844","0.0897","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015975","32.3762","0.0004","43.4056","0.0002","5.5618","0.0001","90","","90","","90","","7816.04","0.17","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline","","- C23 H22 Br N3 -","- C23 H22 Br N3 -","- C368 H352 Br16 N48 -","16","1","DN3043","Langer, Vratislav; Scholtzová, Eva; Koóš, Miroslav","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline: X-ray and density functional theory (DFT) studies","Acta Crystallographica Section C","2007","63","6","o340","o342","10.1107/S0108270107020689","","","0.71073","MoKα","","0.0561","0.0443","","","0.105","0.113","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015976","7.8089","0.0012","10.5225","0.0017","12.3618","0.0019","91.787","0.002","91.722","0.002","106.632","0.003","972","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-biquinoline-κ^2^N,N')bis(dihydrogenphosphato-κO)copper(II)/zinc(II) (0.88/0.12)","","- C18 H16 Cu0.12 N2 O8 P2 Zn0.88 -","- C18 H16 Cu0.12 N2 O8 P2 Zn0.88 -","- C36 H32 Cu0.24 N4 O16 P4 Zn1.76 -","2","1","FA3081","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","Two polymorphic forms of a mixed zinc/copper biquinoline dihydrogenphosphate","Acta Crystallographica Section C","2007","63","6","m249","m252","10.1107/S0108270107020033","","","0.71073","MoKα","","0.0688","0.0573","","","0.1299","0.1356","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015977","9.3801","0.0012","20.528","0.003","10.2991","0.0013","90","","98.791","0.002","90","","1959.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,2'-biquinoline-κ^2^N,N')bis(dihydrogenphosphato-κO)copper(II)/zinc(II) (0.90/0.10)","","- C18 H16 Cu0.1 N2 O8 P2 Zn0.9 -","- C18 H16 Cu0.1 N2 O8 P2 Zn0.9 -","- C72 H64 Cu0.4 N8 O32 P8 Zn3.6 -","4","1","FA3081","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","Two polymorphic forms of a mixed zinc/copper biquinoline dihydrogenphosphate","Acta Crystallographica Section C","2007","63","6","m249","m252","10.1107/S0108270107020033","","","0.71073","MoKα","","0.0907","0.0591","","","0.1013","0.1094","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015978","11.9883","0.001","8.9128","0.0005","12.4236","0.0015","90","","90.499","0.008","90","","1327.4","0.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN)cobalt(II)","","- C26 H24 Co F2 N4 O8 -","- C26 H24 Co F2 N4 O8 -","- C52 H48 Co2 F4 N8 O16 -","2","0.5","FA3085","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Ozturkkan, Elif Fureyya; Necefoglu, Hacali","Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2007","63","6","m243","m245","10.1107/S0108270107019750","","","0.71073","MoKα","","0.0487","0.043","","","0.1169","0.121","","","","","","1.062","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015979","6.2809","0.0005","21.9393","0.0019","9.6452","0.0009","90","","100.495","0.002","90","","1306.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.0602","0.0498","","","0.1335","0.1499","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015980","21.716","0.003","6.195","0.0008","20.398","0.002","90","","96.927","0.002","90","","2724.1","0.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","","- C13 H14 Cl N O5 -","- C13 H14 Cl N O5 -","- C104 H112 Cl8 N8 O40 -","8","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.0419","0.0374","","","0.106","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015981","9.3969","0.0005","9.4328","0.0005","12.2133","0.0007","90","","90","","90","","1082.58","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.042","0.0339","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015982","22.9326","0.0011","12.1235","0.0006","7.0111","0.0003","90","","96.707","0.002","90","","1935.91","0.16","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N^4^-(Pyrrol-1-yl)-1,2,4-triazole","","- C6 H6 N4 -","- C6 H6 N4 -","- C72 H72 N48 -","12","1.5","GA3049","Hellyer, Ryan M.; Joule, John A.; Larsen, David S.; Brooker, Sally","4-(Pyrrol-1-yl)-1,2,4-triazole","Acta Crystallographica Section C","2007","63","6","o358","o360","10.1107/S0108270107020112","","","0.71073","MoKα","","0.0391","0.0356","","","0.0866","0.0893","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015983","11.0883","0.0019","26.405","0.005","6.801","0.0012","90","","90","","90","","1991.2","0.6","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[aquastrontium(II)]-μ~6~-4-nitrobenzene-1,3-dicarboxylato- κ^7^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^3^:\ <i>O</i>^3^,<i>O</i>^4^:<i>O</i>^4^]","","- C8 H5 N O7 Sr -","- C8 H5 N O7 Sr -","- C64 H40 N8 O56 Sr8 -","8","1","GA3050","Xiong, Li-Qin; Qi, Chuan-Min","A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid","Acta Crystallographica Section C","2007","63","6","m246","m248","10.1107/S0108270107020100","","","0.71073","MoKα","","0.0515","0.0363","","","0.0751","0.0806","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015984","6.2254","0.0002","10.7538","0.0003","15.3703","0.0006","98.214","0.001","93.37","0.001","101.247","0.002","994.89","0.06","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(cyclohexane-1,1'-diyl)diphenol‒3-chlorophenol (1/1)","","- C24 H25 Cl O3 -","- C24 H25 Cl O3 -","- C48 H50 Cl2 O6 -","2","1","GD3095","Luigi R. Nassimbeni; Hong Su","Inclusion of chlorophenols by 4,4'-(cyclohexane-1,1-diyl)diphenol: structures and kinetics of decomposition","Acta Crystallographica Section C","2007","63","6","o319","o322","10.1107/S0108270107013352","","","0.71073","MoKα","","0.0792","0.045","","","0.0953","0.1089","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015985","6.2593","0.0002","10.8408","0.0003","15.6476","0.0006","99.705","0.001","92.366","0.001","105.376","0.002","1004.99","0.06","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(cyclohexane-1,1'-diyl)diphenol‒4-chlorophenol (1/1)","","- C24 H25 Cl O3 -","- C24 H25 Cl O3 -","- C48 H50 Cl2 O6 -","2","1","GD3095","Luigi R. Nassimbeni; Hong Su","Inclusion of chlorophenols by 4,4'-(cyclohexane-1,1-diyl)diphenol: structures and kinetics of decomposition","Acta Crystallographica Section C","2007","63","6","o319","o322","10.1107/S0108270107013352","","","0.71073","MoKα","","0.0932","0.047","","","0.1001","0.1185","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015986","15.711","0.007","15.711","0.007","5.792","0.002","90","","90","","120","","1238.1","0.9","298","2","298","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","tripivaloylmethane","4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","- C16 H28 O3 -","- C16 H28 O3 -","- C48 H84 O9 -","3","0.166667","GD3098","Branko Kaitner; Vladimir Stilinović","Conformational enantiomeric disorder in tripivaloylmethane","Acta Crystallographica Section C","2007","63","6","o353","o354","10.1107/S0108270107012474","","","0.71073","MoKα","","","0.0749","","","","0.2339","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015987","7.4829","0.0009","8.4881","0.001","10.9267","0.001","67.172","0.009","88.971","0.008","67.092","0.008","581.93","0.13","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~4~-4,4'-bipyridazine-μ~5~-sulfato-disilver(I)] monohydrate]","","- C8 H8 Ag2 N4 O5 S -","- C8 H8 Ag2 N4 O5 S -","- C16 H16 Ag4 N8 O10 S2 -","2","1","GD3101","Domasevitch, Konstantin V.; Gural'skiy, Il'ya A.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.","Silver(I) sulfate coordination polymers with 4,4'-bipyridazine and pyridazino[4,5-<i>d</i>]pyridazine","Acta Crystallographica Section C","2007","63","6","m259","m263","10.1107/S0108270107021154","","","0.71073","MoKα","","0.0324","0.0278","","","0.072","0.0733","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015988","8.3733","0.0002","8.779","0.0002","8.9006","0.0003","85.927","0.001","74.334","0.002","68.816","0.001","587.14","0.03","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua-μ~4~-pyridazino[4,5-d]pyridazine-μ~3~-sulfato-disilver(I)] monohydrate]","","- C6 H8 Ag2 N4 O6 S -","- C6 H8 Ag2 N4 O6 S -","- C12 H16 Ag4 N8 O12 S2 -","2","1","GD3101","Domasevitch, Konstantin V.; Gural'skiy, Il'ya A.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.","Silver(I) sulfate coordination polymers with 4,4'-bipyridazine and pyridazino[4,5-<i>d</i>]pyridazine","Acta Crystallographica Section C","2007","63","6","m259","m263","10.1107/S0108270107021154","","","0.71073","MoKα","","0.0254","0.0224","","","0.0528","0.0542","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015989","17.418","0.003","13.802","0.0017","14.982","0.006","90","","91.9","0.05","90","","3599.7","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2- ylidene]dichlorido(triphenylphosphine-κP)palladium(II)","","- C39 H41 Cl2 N2 P Pd -","- C39 H41 Cl2 N2 P Pd -","- C156 H164 Cl8 N8 P4 Pd4 -","4","1","GD3106","Sevinçek, Resul; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; García-Granda, Santiago","<i>trans</i>-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2007","63","6","m277","m279","10.1107/S0108270107021622","","","0.71073","MoKα","","0.0845","0.0467","","","0.1395","0.1611","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015990","8.7124","0.0006","9.0668","0.0006","11.986","0.0008","84.085","0.001","82.476","0.001","87.554","0.001","933.26","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)","","- C15 H11 Au I3 N3 Pt -","- C15 H11 Au I3 N3 Pt -","- C30 H22 Au2 I6 N6 Pt2 -","2","1","GG3082","Angle, Christina S.; Woolard, Kathryn J.; Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Metallophilic interactions in iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)","Acta Crystallographica Section C","2007","63","6","m231","m234","10.1107/S0108270107015843","","","0.71073","MoKα","","0.0265","0.0259","","","0.0645","0.0651","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015991","21.585","0.008","14.573","0.004","16.523","0.005","90","","126.013","0.01","90","","4204","2","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tris(thianthrenediium) bis(dodecamethylcarba-closo-dodecaborate) dichloromethane tetrasolvate","","- C66 H104 B22 Cl8 S6 -","- C66 H104 B22 Cl8 S6 -","- C132 H208 B44 Cl16 S12 -","2","0.25","GG3084","Rosokha, Sergiy V.; Lu, Jianjiang; Rosokha, Tetyana Y.; Kochi, Jay K.","Tris(thianthrene)(2+) bis(dodecamethylcarba-<i>closo</i>-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker π-trimer dication","Acta Crystallographica Section C","2007","63","6","o347","o349","10.1107/S0108270107018136","","","0.71073","MoKα","","0.056","0.0448","","","0.1328","0.1393","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015992","11.3324","0.0015","11.3324","0.0015","10.894","0.002","90","","90","","90","","1399","0.4","110","","110","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","","- C28 H36 Cl2 Cu N4 -","- C28 H36 Cl2 Cu N4 -","- C56 H72 Cl4 Cu2 N8 -","2","0.125","GZ3084","Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R.","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","Acta Crystallographica Section C","2007","63","6","m238","m239","10.1107/S0108270107018471","","","0.71073","MoKα","","0.044","0.03","","","0.075","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015993","7.633","0.0015","8.7","0.0017","11.174","0.002","107.86","0.02","96.556","0.007","94.816","0.006","696.1","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[propylene-1,3-diammonium [tetra-μ~3~-oxo-hexaoxotrimolybdenum(VI)] dihydrate]","","- C3 H16 Mo3 N2 O12 -","- C3 H16 Mo3 N2 O12 -","- C6 H32 Mo6 N4 O24 -","2","1","GZ3086","Cong Deng; Bi-Zhou Lin; Guo-Hua Han; Ling Bai","Poly[propane-1,3-diammonium [tetra-μ~3~-oxo-hexaoxotrimolybdenum(VI)] dihydrate]","Acta Crystallographica Section C","2007","63","6","m256","m258","10.1107/S0108270107021051","","","0.71073","MoKα","","0.0465","0.0463","","","0.1361","0.1362","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015994","9.4182","0.0015","6.8889","0.0011","9.7931","0.0015","90","","109.448","0.002","90","","599.13","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","HJ3036","Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate","Acta Crystallographica Section C","2007","63","6","m280","m282","10.1107/S0108270107020914","","","0.71073","MoKα","","0.0429","0.0375","","","0.109","0.113","","","","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015995","7.777","0.002","27.434","0.006","13.965","0.003","90","","103.254","0.003","90","","2900.1","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^N,N')copper(I) tetrafluoroborate","","- C28 H24 B Cu F4 N4 O8 -","- C28 H24 B Cu F4 N4 O8 -","- C112 H96 B4 Cu4 F16 N16 O32 -","4","1","HJ3036","Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate","Acta Crystallographica Section C","2007","63","6","m280","m282","10.1107/S0108270107020914","","","0.71073","MoKα","","0.0925","0.0543","","","0.1201","0.1372","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015996","10.2192","0.0005","18.3059","0.0013","20.9425","0.0012","90","","94.089","0.004","90","","3907.8","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{1-[4- (dimethylamino)phenylimino]ethyl}pyridine)dichlorido(triphenylphosphine- κP)ruthenium(II)","","- C43 H44 Cl2 N5 P Ru -","- C43 H44 Cl2 N5 P Ru -","- C172 H176 Cl8 N20 P4 Ru4 -","4","1","HJ3041","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(2,6-Bis{1-[4-(dimethylamino)phenylimino]ethyl}pyridine)dichlorido(triphenylphosphine-κ<i>P</i>)ruthenium(II): a zigzag chain of fused centrosymmetric <i>R</i>^2^~2~(12) rings","Acta Crystallographica Section C","2007","63","6","m264","m266","10.1107/S0108270107021610","","","0.71073","MoKα","","0.1315","0.0524","","","0.061","0.0747","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015997","10.827","0.002","14.932","0.003","15.486","0.003","90","","110.07","0.03","90","","2351.6","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-<i>N</i>-(2-pyridyl)benzenesulfonamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C88 H88 N24 O16 S8 -","8","2","JZ3060","Gelbrich, Thomas; Threlfall, Terence L.; Bingham, Ann L.; Hursthouse, Michael B.","Polymorph VI of sulfapyridine: interpenetrating two- and three-dimensional hydrogen-bonded nets formed from two tautomeric forms","Acta Crystallographica Section C","2007","63","6","o323","o326","10.1107/S0108270107017817","","","0.71073","MoKα","","0.1315","0.0554","","","0.1117","0.1295","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015998","7.358","0.007","9.377","0.003","10.758","0.004","97.53","0.03","97.09","0.03","93.96","0.05","727.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-fluorophenyl)-1,5,7-trimethyl-1,2,3,4- tetrahydropyrido[2,3-d]pyrimidine-2,4-dione","","- C16 H14 F N3 O2 -","- C16 H14 F N3 O2 -","- C32 H28 F2 N6 O4 -","2","1","LN3041","Patel, Urmila H.; Patel, Pinal D.; Thakker, Neha","C—H···O hydrogen-bonding and C—H···π interactions in 3-(4-fluorophenyl)-1,5,7-trimethyl-1,2,3,4-tetrahydropyrido[2,3-<i>d</i>]pyrimidine-2,4-dione","Acta Crystallographica Section C","2007","63","6","o337","o339","10.1107/S0108270107017155","","","0.71073","MoKα","","0.0843","0.0535","","","0.1465","0.1671","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015999","12.2793","0.0016","9.7588","0.0012","18.422","0.002","90","","97.444","0.002","90","","2188.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C84 H156 N12 O12 -","4","1","LN3045","Zeller, Matthias; Pett, Virginia B.; Haynes, LeRoy W.","Ring opening of pyridines: the pseudo-<i>cis</i> and pseudo-<i>trans</i> isomers of tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","Acta Crystallographica Section C","2007","63","6","o343","o346","10.1107/S0108270107019506","","","0.71073","MoKα","","0.0818","0.0686","","","0.1691","0.1746","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016000","9.7894","0.0009","18.3872","0.0016","12.2327","0.0011","90","","95.894","0.002","90","","2190.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C84 H156 N12 O12 -","4","1","LN3045","Zeller, Matthias; Pett, Virginia B.; Haynes, LeRoy W.","Ring opening of pyridines: the pseudo-<i>cis</i> and pseudo-<i>trans</i> isomers of tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","Acta Crystallographica Section C","2007","63","6","o343","o346","10.1107/S0108270107019506","","","0.71073","MoKα","","0.0646","0.0579","","","0.1326","0.1358","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016001","6.126","0.002","8.941","0.006","12.02","0.004","90","","99.68","0.03","90","","649","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","LN3052","Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva","A new γ-polymorph of chlorpropamide: 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","Acta Crystallographica Section C","2007","63","6","o355","o357","10.1107/S010827010701952X","","","0.71073","MoKα","","0.1631","0.0753","","","0.1267","0.1631","","","","","","1.174","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016002","12.649","0.003","16.258","0.005","8.756","0.003","90","","90","","90","","1800.6","0.9","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(2-hydroxybenzohydroxamato)dioxouranium(VI) bihydrate","catena-poly[[[dioxouranium(VI)]-bis(μ-2-hydroxybenzohydroxamato)] dihydrate]","","- C14 H16 N2 O10 U -","- C14 H16 N2 O10 U -","- C56 H64 N8 O40 U4 -","4","0.5","LN3054","Roberto Centore; Gaetano De Tommaso; Mauro Iuliano; Angela Tuzi","An organouranium coordination polymer containing infinite metal oxide chains","Acta Crystallographica Section C","2007","63","6","m253","m255","10.1107/S0108270107019798","","","0.71073","MoKα","","0.0998","0.0364","","","0.0622","0.0743","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016003","8.628","0.001","13.516","0.001","13.695","0.001","90","","99.978","0.006","90","","1572.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diaquabis(imidazole)(orotate)cobalt(II)","mer-diaquabis(1H-imidazole-κN^3^)[1,2,3,6-tetrahydro-2,6-dioxopyrimidine- 4-carboxylato(2-)]cobalt(II)","","- C11 H14 Co N6 O6 -","- C11 H14 Co N6 O6 -","- C44 H56 Co4 N24 O24 -","4","1","SF3031","Yeşilel, Okan Zafer; Ölmez, Halis; Arıcı, Cengiz","<i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)[orotato(2‒)]cobalt(II)","Acta Crystallographica Section C","2007","63","6","m240","m242","10.1107/S0108270107018021","","","0.71073","MoKα","","0.0426","0.0377","","","0.1025","0.1054","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016004","7.862","0.005","8.869","0.005","9.479","0.005","90","","100.25","0.03","90","","650.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","violuric acid monohydrate","pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","1","SF3032","Guille, Kathy; Harrington, Ross W.; Clegg, William","Violuric acid monohydrate: a second polymorph with more extensive hydrogen bonding","Acta Crystallographica Section C","2007","63","6","o327","o329","10.1107/S010827010701743X","","","0.71073","MoKα","","0.0785","0.045","","","0.104","0.1175","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016005","12.7929","0.0012","13.4006","0.0012","14.4847","0.0014","90","","90","","90","","2483.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetraphenylphosphonium copper(I) dicyanamide","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","","- C28 H20 Cu N6 P -","- C28 H20 Cu N6 P -","- C112 H80 Cu4 N24 P4 -","4","1","SF3036","Schlueter, John A.; Geiser, Urs","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","Acta Crystallographica Section C","2007","63","6","m235","m237","10.1107/S0108270107015387","","","0.71073","MoKα","","0.0559","0.0388","","","0.0772","0.0827","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016006","11.5681","0.0003","12.0702","0.0003","13.512","0.002","90","","90","","90","","1886.7","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,17-Dioxoandrost-4-en-4-yl acetate","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","SK3116","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Tavares da Silva, E. J.","3,17-Dioxoandrost-4-en-4-yl acetate","Acta Crystallographica Section C","2007","63","6","o330","o331","10.1107/S0108270107015533","","","1.5418","CuKα","","0.0489","0.0291","","","0.0748","0.0884","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016007","8.2779","0.0003","8.4719","0.0006","15.1413","0.0012","90","","95.534","0.006","90","","1056.9","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3-Oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione","","- C13 H10 O4 -","- C13 H10 O4 -","- C52 H40 O16 -","4","1","SK3122","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(3-Oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione","Acta Crystallographica Section C","2007","63","6","o332","o333","10.1107/S0108270107017866","","","0.71073","MoKα","","0.0713","0.0484","","","0.1194","0.1388","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016008","7.901","0.0009","12.7844","0.0013","12.9683","0.0014","91.895","0.002","102.655","0.003","92.167","0.003","1276","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1^9^,14-dioxa-1(2,10)-anthracena-2(1,2)-benzenacyclotetradecaphane- 1^7^,3(5^9^H)-dione","","- C31 H32 O5 -","- C31 H32 O5 -","- C62 H64 O10 -","2","1","SQ3058","Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Skene, W. G.","A fluoresceinophane: 1^9^,4,16-trioxa-1(2,10)-anthracena-2(1,2)-benzenacyclohexadecaphane-1^7^,3(1^9^<i>H</i>)-dione","Acta Crystallographica Section C","2007","63","6","o350","o352","10.1107/S0108270107008566","","","1.54178","CuKα","","0.0456","0.0413","","","0.125","0.1291","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016009","9.2104","0.0018","9.4058","0.0019","10.225","0.002","75","0.03","75.5","0.03","75.15","0.03","810.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[ethylenediammonium [[aquacopper(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato] dihydrate]","","- C12 H18 Cu N2 O11 -","- C12 H18 Cu N2 O11 -","- C24 H36 Cu2 N4 O22 -","2","1","SQ3073","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan","Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes","Acta Crystallographica Section C","2007","63","6","m273","m276","10.1107/S0108270107019853","","","0.71073","MoKα","","0.0283","0.0262","","","0.0712","0.0722","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016010","11.432","0.002","18.484","0.004","7.4981","0.0015","90","","94.8","0.03","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[ethylenediammonium [copper(II)-μ~4~-benzene-1,2,4,5-tetracarboxylato] 2.5-hydrate]","","- C12 H17 Cu N2 O10.5 -","- C12 H17 Cu N2 O10.5 -","- C48 H68 Cu4 N8 O42 -","4","0.5","SQ3073","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan","Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes","Acta Crystallographica Section C","2007","63","6","m273","m276","10.1107/S0108270107019853","","","0.71073","MoKα","","0.0524","0.0326","","","0.075","0.0792","","","","","","0.978","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016011","4.6982","0.0006","9.9532","0.0013","25.719","0.004","90","","90","","90","","1202.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrobenzoyl)-N'-phenylhydrazine","N-anilino-4-nitrobenzamide","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","SQ3075","Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>-(4-Nitrobenzoyl)-<i>N</i>'-phenylhydrazine: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2007","63","6","o334","o336","10.1107/S0108270107020628","","","0.71073","MoKα","","0.0643","0.0535","","","0.135","0.1485","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016012","13.0552","0.0018","7.0852","0.001","6.7287","0.0013","90","","98.176","0.014","90","","616.07","0.17","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","biphenyl-4,4-diphosphonic acid","biphenyl-4,4'-diphosphonic acid","","- C12 H12 O6 P2 -","- C12 H12 O6 P2 -","- C24 H24 O12 P4 -","2","0.5","AV3089","Próchniak, G.; Zoń, J.; Daszkiewicz, M.; Pietraszko, A.; Videnova-Adrabińska, V.","Hydrogen-bonded network in biphenyl-4,4'-diphosphonic acid","Acta Crystallographica Section C","2007","63","7","o434","o436","10.1107/S0108270107025152","","","0.71073","MoKα","","0.0598","0.0358","","","0.0789","0.0877","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016013","30.516","0.005","10.8142","0.0016","17.35","0.003","90","","111.795","0.002","90","","5316.3","1.5","130","","130","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato]- 4,4'-bipyridyl 1.5-solvate hemihydrate]","","- C23 H26 N3 O12.5 S Tm -","- C23 H26 N3 O12.5 S Tm -","- C184 H208 N24 O100 S8 Tm8 -","8","1","AV3091","Yu-Ling Wang; Qing-Yan Liu; Li Xu","<i>catena</i>-Poly[[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato] 4,4'-bipyridyl 1.5-solvate hemihydrate]","Acta Crystallographica Section C","2007","63","7","m304","m307","10.1107/S0108270107022470","","","0.71073","MoKα","","0.0249","0.0226","","","0.05","0.0512","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016014","8.2566","0.0014","20.542","0.003","8.3351","0.0014","90","","102.85","0.004","90","","1378.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[diazidobis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ^2^N^4^:N^4'^]nickel(II)]","","- C24 H24 N18 Ni -","- C24 H24 N18 Ni -","- C48 H48 N36 Ni2 -","2","0.5","AV3092","Li-Yan Wang; Yan-Fen Peng; Yu-Ping Zhang; Bao-Long Li; Yong Zhang","A novel two-dimensional nickel(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and azide ligands","Acta Crystallographica Section C","2007","63","7","m297","m299","10.1107/S0108270107021932","","","0.71073","MoKα","","0.0464","0.0403","","","0.0985","0.1024","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016015","4.7449","0.0006","8.2814","0.0008","10.8351","0.0013","90","","92.941","0.01","90","","425.2","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium gallium hydrogen phosphate fluoride","dipotassium gallium {hydrogen bis[hydrogenphosphate(V)]} difluoride","","- F2 Ga H3 K2 O8 P2 -","- F2 Ga H3 K2 O8 P2 -","- F4 Ga2 H6 K4 O16 P4 -","2","0.5","BC3042","Filaretov, Andrey; Schenk, Kurt J.; Rusakov, Dmitriy; Chapuis, Gervais","Potassium gallium hydrogenphosphate fluoride, K~2~Ga[H(HPO~4~)~2~]F~2~","Acta Crystallographica Section C","2007","63","7","i54","i56","10.1107/S0108270107025437","","","0.71073","MoKα","","0.0168","0.0156","","","0.0319","0.0333","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016016","4.9495","0.0006","5.6949","0.0007","14.1692","0.0017","90","","90","","90","","399.39","0.08","293","","293","","","","","","","","","3","P n a b","-P 2bc 2n","60","cadmium vanadate","cadmium divanadium hexaoxide","","- Cd O6 V2 -","- Cd O6 V2 -","- Cd4 O24 V8 -","4","0.5","BC3043","Belik, Alexei A.; Mironov, Andrei V.; Shpanchenko, Roman V.; Takayama-Muromachi, Eiji","The high-pressure form of cadmium vanadate, CdV~2~O~6~","Acta Crystallographica Section C","2007","63","7","i37","i39","10.1107/S0108270107017623","","","0.71069","MoKα","","0.0162","0.0162","","","0.0282","0.0282","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016017","13.1857","0.0005","13.1857","0.0005","13.1857","0.0005","90","","90","","90","","2292.5","0.15","173","2","173","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","lead cadmium vanadate garnet","lead cadmium vanadium oxide","","- Cd2 O12 Pb2.63 V3 -","- Cd2 O12 Pb2.625 V3 -","- Cd16 O96 Pb21 V24 -","8","0.0833333","BC3044","Alexander A. Tsirlin; Evgeny V. Dikarev; Yuri A. Velikodny; Roman V. Shpanchenko; Evgeny V. Antipov","Pb~2.63~Cd~2~V~3~O~12~, a cation-deficient garnet-type vanadate","Acta Crystallographica Section C","2007","63","7","i40","i42","10.1107/S0108270107021233","","","0.71073","MoKα","","0.0304","0.0225","","","0.0554","0.0582","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016018","10.5834","0.0003","11.3803","0.0003","11.6367","0.0003","108.682","0.004","103.775","0.002","111.674","0.003","1128.19","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","sodium decavanadate(V) tetrahydrate","poly[[octa-μ-aqua-dodecaaqua-μ-octacosaoxidodecavanadato-hexasodium] tetrahydrate]","","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","1","0.5","BC3048","Guo, Hong-Xu; Yao, Zhong-Liang","Na~6~(H~2~O)~20~(V~10~O~28~)·4H~2~O, a novel polyvanadate(V) with a three-dimensional framework","Acta Crystallographica Section C","2007","63","7","i51","i53","10.1107/S0108270107025395","","","0.7107","MoKα","","0.0415","0.0331","","","0.0975","0.1039","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016019","9.066","0.0008","9.3077","0.0009","15.921","0.002","86.731","0.001","83.14","0.001","87.931","0.001","1331.1","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","poly[[[μ~2~-1,3-bis(1H-benzimidazol-2-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-terephthalato- κ^2^<i>O</i>:<i>O</i>')zinc(II)] ethanol solvate]","","- C30 H24 N4 O5 Zn -","- C30 H24 N4 O5 Zn -","- C60 H48 N8 O10 Zn2 -","2","1","BG3037","Meng, Fa-Yan; Liu, Xu-Qing; Ng, Seik Weng","The honeycomb network structure of poly[[[μ~2~-1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-terephthalato-κ^2^<i>O</i>:<i>O</i>')zinc(II)] ethanol solvate]","Acta Crystallographica Section C","2007","63","7","m341","m342","10.1107/S0108270107027436","","","0.71073","MoKα","","0.045","0.035","","","0.092","0.098","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016020","9.9239","0.0011","16.5696","0.0019","13.9248","0.0016","90","","103.229","0.002","90","","2229","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-hydroxo-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine- κ^3^N',N'',N''']copper(II)} bis(perchlorate)","","- C44 H52 Cl2 Cu2 N6 O10 -","- C44 H52 Cl2 Cu2 N6 O10 -","- C88 H104 Cl4 Cu4 N12 O20 -","2","0.5","BG3038","García, Ana María; Manzur, Jorge; Vega, Andrés","Di-μ-hydroxido-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine-κ^3^<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II)} bis(perchlorate)","Acta Crystallographica Section C","2007","63","7","m335","m337","10.1107/S0108270107025929","","","0.71073","MoKα","","0.0734","0.0514","","","0.1227","0.1366","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016021","9.7668","0.0008","10.8005","0.0009","12.0272","0.001","68.417","0.005","68.415","0.005","84.837","0.006","1095.51","0.17","153","2","153","1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3'-[2-(anthracen-9-yl)ethenyl]-2,2':5',2''-terthiophene","","- C28 H18 S3 -","- C28 H18 S3 -","- C56 H36 S6 -","2","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.084","0.0536","","","0.1262","0.1397","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016022","9.7382","0.0011","11.7143","0.0012","11.8447","0.0012","61.244","0.008","78.532","0.008","72.307","0.007","1126.3","0.2","153","1","153","1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3'-[2-(1-pyrenyl)ethenyl]-2,2':5',2''-terthiophene","","- C30 H18 S3 -","- C30 H18 S3 -","- C60 H36 S6 -","2","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.0584","0.0434","","","0.0961","0.1033","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016023","18.934","0.001","27.268","0.005","7.5192","0.0007","90","","91.84","0.01","90","","3880.1","0.8","153","1","153","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3'-[2-(3,4-dimethoxyphenyl)ethenyl]-2,2':5',2''-terthiophene","","- C22 H18 O2 S3 -","- C22 H18 O2 S3 -","- C176 H144 O16 S24 -","8","2","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.0648","0.0442","","","0.0892","0.096","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016024","9.341","0.001","36.688","0.003","10.097","0.002","90","","115.36","0.01","90","","3126.8","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-1,4-bis[2-(2,2':5',2''-terthiophen-3'-yl)ethenyl]-2,5- dimethoxybenzene","","- C36 H26 O2 S6 -","- C36 H26 O2 S6 -","- C144 H104 O8 S24 -","4","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.1433","0.071","","","0.1227","0.1394","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016025","16.726","0.0004","5.1384","0.0001","14.0045","0.0005","90","","93.1793","0.0013","90","","1201.76","0.06","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Methoxy-3-nitrobenzylideneamino)guanidinium chloride","","- C9 H12 Cl N5 O3 -","- C9 H12 Cl N5 O3 -","- C36 H48 Cl4 N20 O12 -","4","1","FA3076","Ring, Joshua R.; Parkin, Sean; Crooks, Peter A.","(4-Methoxy-3-nitrobenzylideneamino)guanidinium chloride","Acta Crystallographica Section C","2007","63","7","o392","o394","10.1107/S0108270107023475","","","0.71073","MoKα","","0.055","0.041","","","0.102","0.111","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016026","11.9893","0.0003","17.348","0.0004","8.6266","0.0002","90","","90","","90","","1794.25","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","bis[dicyanidomercury(II)] pyrene solvate","","- C20 H10 Hg2 N4 -","- C20 H10 Hg2 N4 -","- C80 H40 Hg8 N16 -","4","0.5","FA3083","Gervasio, Giuliana; Marabello, Domenica","Mercuric cyanide as a receptor of pyrene","Acta Crystallographica Section C","2007","63","7","m318","m320","10.1107/S0108270107023463","","","0.71073","MoKα","","0.0239","0.0211","","","0.0432","0.044","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016027","11.3391","0.0006","11.3391","0.0006","4.6371","0.0002","90","","90","","90","","596.22","0.05","295","2","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","dicalcium heptagermanate","","- Ca2 Ge7 O16 -","- Ca2 Ge7 O16 -","- Ca4 Ge14 O32 -","2","0.25","FA3088","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Dicalcium heptagermanate Ca~2~Ge~7~O~16~ revised","Acta Crystallographica Section C","2007","63","7","i47","i50","10.1107/S010827010702269X","","","0.71073","MoKα","","","0.0227","","","","0.0568","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016028","9.3231","0.0017","26.611","0.006","18.218","0.004","90","","91.596","0.007","90","","4518.1","1.6","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[1L-3,4-Bis(O-diphenylphosphino)-1,2,5,6-tetra-O-methyl-chiro-inositol- κ^2^P,P'][η^4^-(Z,Z)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate chloroform solvate","","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C172 H204 B4 Cl12 F16 O24 P8 Rh4 -","4","2","FA3095","Gainsford, Graeme J.; Lensink, Cees; Falshaw, Andrew F.","[1<small>L</small>-3,4-Bis-<i>O</i>-(diphenylphosphino)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol-κ^2^<i>P</i>,<i>P</i>'][η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]rhodium(I) tetrafluoridoborate chloroform solvate","Acta Crystallographica Section C","2007","63","7","m331","m334","10.1107/S0108270107026170","","","0.71073","MoKα","","0.0769","0.0635","","","0.1419","0.1502","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016029","14.8424","0.0007","11.6735","0.0005","22.0589","0.001","90","","99.416","0.001","90","","3770.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","κ^3^-(^tBu^PCPIrH)-(μ~2~Cl)~2~-η^4^-Ir(COD)","[2,6-bis(di-tert-butylphosphino)phenyl-1κ^3^P,C^1^,P']di-μ-chlorido- 1:2κ^4^Cl:Cl-(2η^4^-cycloocta-2,5-diene)diiridium(I,III) hexane hemisolvate","","- C35 H63 Cl2 Ir2 P2 -","- C35 H63 Cl2 Ir2 P2 -","- C140 H252 Cl8 Ir8 P8 -","4","1","GA3042","Pelczar, Elizabeth M.; Emge, Thomas J.; Goldman, Alan S.","A mixed-valence chloride-bridged (pincer)Ir^III^‒(diene)Ir^I^ complex","Acta Crystallographica Section C","2007","63","7","m323","m326","10.1107/S0108270107022378","","","0.71073","MoKα","","0.0317","0.0263","","","0.0603","0.0622","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016030","9.3064","0.0002","25.5909","0.0009","13.0271","0.0004","90","","90.306","0.002","90","","3102.48","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Bis(5-<i>tert</i>-butyl-2-hydroxy-3-methylbenzyl)-<i>N</i>- (6-hydroxyhexyl)ammonium chloride monohydrate","","- C30 H50 Cl N O4 -","- C30 H50 Cl N O4 -","- C120 H200 Cl4 N4 O16 -","4","1","GA3048","Sopo, Harri; Sillanpää, Reijo","Bis(5-<i>tert</i>-butyl-2-hydroxy-3-methylbenzyl)(6-hydroxyhexyl)ammonium chloride monohydrate, an anion receptor complex","Acta Crystallographica Section C","2007","63","7","o386","o388","10.1107/S0108270107023797","","","0.71073","MoKα","","0.0784","0.0495","","","0.1076","0.1204","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016031","12.937","0.005","13.186","0.005","13.815","0.006","87.3","0.005","70.756","0.005","68.719","0.005","2066.2","1.4","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","Octakis(pyrazol-1-ylmethyl)biphenylene ethanol solvate","","- C46 H46 N16 O -","- C46 H46 N16 O -","- C92 H92 N32 O2 -","2","1","GA3053","Steel, Peter J.; McMorran, David A.","Octasubstituted biphenylenes: is there a favoured conformation?","Acta Crystallographica Section C","2007","63","7","o382","o385","10.1107/S0108270107022779","","","0.71073","MoKα","","0.0802","0.0503","","","0.1131","0.1264","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016032","4.7805","0.001","10.303","0.002","21.678","0.005","88.886","0.004","87.595","0.003","83.239","0.004","1059.2","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Adeninium phenylacetate phenylacetic acid hydrate","adeninium phenylacetate phenylacetic acid monohydrate","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","GA3054","Balasubramanian Sridhar; Krishnan Ravikumar","Supramolecular hydrogen-bonded networks in adeninium phenylacetate phenylacetic acid monohydrate and adeninium 3-carboxypropionate monohydrate","Acta Crystallographica Section C","2007","63","7","o415","o418","10.1107/S0108270107024493","","","0.71073","MoKα","","0.0636","0.0464","","","0.12","0.1307","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016033","9.539","0.003","17.149","0.006","7.45","0.003","90","","100.503","0.005","90","","1198.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Adeninium succinate hydrate","adeninium 3-carboxypropionate monohydrate","","- C9 H11 N5 O5 -","- C9 H11 N5 O5 -","- C36 H44 N20 O20 -","4","1","GA3054","Balasubramanian Sridhar; Krishnan Ravikumar","Supramolecular hydrogen-bonded networks in adeninium phenylacetate phenylacetic acid monohydrate and adeninium 3-carboxypropionate monohydrate","Acta Crystallographica Section C","2007","63","7","o415","o418","10.1107/S0108270107024493","","","0.71073","MoKα","","0.0461","0.0438","","","0.1199","0.124","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016034","8.9097","0.0008","11.0904","0.0008","12.7489","0.0014","100.643","0.005","109.694","0.004","94.49","0.003","1152.13","0.19","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)(3-hydroxy-3-methylbut-1-ynyl- κC^1^)(triphenylphosphine-κP)nickel(II)","","- C28 H27 Ni O P -","- C28 H27 Ni O P -","- C56 H54 Ni2 O2 P2 -","2","1","GA3055","McAdam, C. John; Robinson, Brian H.; Simpson, Jim","(η^5^-Cyclopentadienyl)(3-hydroxy-3-methylbut-1-ynyl-κ<i>C</i>^1^)(triphenylphosphine-κ<i>P</i>)nickel(II): novel O—H···π bonding in an organometallic molecule","Acta Crystallographica Section C","2007","63","7","m338","m340","10.1107/S0108270107026522","","","0.71073","MoKα","","0.073","0.0601","","","0.1691","0.1855","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016035","4.2629","0.0001","9.5372","0.0005","13.9639","0.0009","102.562","0.005","91.055","0.007","101.331","0.007","542.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","cytosine‒5-fluorouracil‒water (1/1/1)","4-amino-2-hydroxypyrimidine‒2,4-dihydroxy-5-fluoropyrimidine‒water (1/1/1)","","- C8 H10 F N5 O4 -","- C8 H8 F N5 O4 -","- C16 H16 F2 N10 O8 -","2","1","GD3108","Gustavo Portalone; Marcello Colapietro","The 1:1 complex of cytosine and 5-fluorouracil monohydrate revisited","Acta Crystallographica Section C","2007","63","7","o423","o425","10.1107/S0108270107026649","","","0.71069","MoKα","","0.1183","0.0467","","","0.1424","0.1485","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016036","31.0164","0.0003","8.5897","0.0011","15.1952","0.0006","90","","90","","90","","4048.3","0.5","110","2","110","2","","","","","","","","4","C m c a","-C 2ac 2","64","porphyrin-5^4^,10^4^,15^4^,20^4^-tetrabenzoic acid","meso-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin","","- C48 H30 N4 O8 -","- C48 H30 N4 O8 -","- C192 H120 N16 O32 -","4","","GD3109","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Interwoven hydrogen-bonded network assembly and supramolecular isomerism of <i>meso</i>-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin as its dimethylformamide solvate","Acta Crystallographica Section C","2007","63","7","o371","o373","10.1107/S0108270107020975","","","0.71073","MoKα","","0.0745","0.0586","","","0.1322","0.1383","","","","","","1.128","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016037","20.0518","0.0013","7.3138","0.0004","15.251","0.001","90","","115.969","0.001","90","","2010.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid. ?","","- C8 H28 As3 N O12 -","- C8 H28 As3 N O12 -","- C32 H112 As12 N4 O48 -","4","0.5","GD3110","Lee, Clare; Harrison, William T. A.","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid: hydrogen-bonded networks containing dihydrogenarsenate anions and neutral arsenic acid molecules","Acta Crystallographica Section C","2007","63","7","m308","m311","10.1107/S0108270107023967","","","0.71073","MoKα","","0.0616","0.0308","","","0.0593","0.0657","","","","","","0.861","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016038","8.1285","0.0003","22.2104","0.0009","10.0056","0.0004","90","","107.637","0.001","90","","1721.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid","","- C6 H21 As3 N2 O12 -","- C6 H21 As3 N2 O12 -","- C24 H84 As12 N8 O48 -","4","1","GD3110","Lee, Clare; Harrison, William T. A.","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid: hydrogen-bonded networks containing dihydrogenarsenate anions and neutral arsenic acid molecules","Acta Crystallographica Section C","2007","63","7","m308","m311","10.1107/S0108270107023967","","","0.71073","MoKα","","0.0532","0.028","","","0.052","0.0561","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016039","11.2488","0.0005","14.6091","0.0007","10.6711","0.0005","90","","90","","90","","1753.63","0.14","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","cis-Dicarbonyl-cis-dichlorido-trans-bis(triphenylphosphine-κP)iridium(III) tetrafluoroborate","","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C76 H60 B2 Cl4 F8 Ir2 O4 P4 -","2","0.5","GD3114","Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John","<i>cis</i>-Dicarbonyl-<i>cis</i>-dichlorido-<i>trans</i>-bis(triphenylphosphine-κ<i>P</i>)iridium(III) tetrafluoridoborate, formed by reaction of (cycloocta-1,5-diene)bis(triphenylphosphine)iridium tetrafluoridoborate with carbonyl fluoride in dichloromethane solution","Acta Crystallographica Section C","2007","63","7","m321","m322","10.1107/S0108270107025358","","","0.71073","MoKα","","0.0232","0.0222","","","0.0455","0.0458","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016040","11.882","0.007","15.518","0.005","20.637","0.008","90","","90","","90","","3805","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aquabis(μ~2~-isonicotinato-κ^3^N:O,O')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","","- C18 H15 Cd N4 O5 -","- C72 H60 Cd4 N16 O20 -","- C144 H120 Cd8 N32 O40 -","2","0.25","GD3116","Juan Granifo; Ricardo Baggio","Poly[[aquabis(μ~2~-isonicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","Acta Crystallographica Section C","2007","63","7","m327","m330","10.1107/S0108270107026698","","","0.71073","MoKα","","0.1573","0.0571","","","0.1446","0.1861","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016041","7.9749","0.0002","7.9205","0.0002","13.3152","0.0003","90","","90","","90","","841.06","0.04","291","0.3","291","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","dibromantin","1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione","","- C5 H6 Br2 N2 O2 -","- C5 H6 Br2 N2 O2 -","- C20 H24 Br8 N8 O8 -","4","0.5","GG3081","Kruszynski, Rafal","Short intermolecular N—Br···O=C contacts in 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione","Acta Crystallographica Section C","2007","63","7","o389","o391","10.1107/S0108270107013868","","","0.71073","MoKα","","0.018","0.0162","","","0.039","0.04","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016042","7.9604","0.0001","23.057","0.003","13.227","0.002","90","","90","","90","","2427.7","0.5","120","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^N,N)(<i>N</i>- phenylpyridine-2-carboxamideκ^2^N^1^,O)copper(II)","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C104 H88 Cu4 N16 O16 -","4","1","GG3093","Gomes, Ligia; Low, John Nicolson; Valente, Mário A. D. C.; Freire, Cristina; Castro, Baltazar","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>)(<i>N</i>-phenylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","2007","63","7","m293","m296","10.1107/S0108270107023414","","","0.71073","MoKα","","0.0575","0.0349","","","0.0808","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016043","24.855","0.004","7.6825","0.0011","19.455","0.003","90","","118.824","0.002","90","","3254.6","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1064","0.0549","","","0.1207","0.1393","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016044","8.25","0.002","9.889","0.003","12.272","0.003","108.697","0.004","90.973","0.005","90.594","0.005","948.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1319","0.0619","","","0.144","0.1793","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016045","5.5372","0.0008","23.144","0.003","15.131","0.002","90","","99.52","0.003","90","","1912.4","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3,4-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1795","0.0864","","","0.1349","0.1667","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016046","10.5071","0.0003","20.3901","0.0006","8.728","0.0003","90","","102.39","0.002","90","","1826.34","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,5-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.0506","0.0385","","","0.1108","0.1258","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016047","37.782","0.002","9.2996","0.0004","18.4055","0.0012","90","","93.067","0.005","90","","6457.6","0.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-Amino-3,5-diethyl-4<i>H</i>-1,2,4-triazole","","- C6 H12 N4 -","- C6 H12 N4 -","- C192 H384 N128 -","32","4","GZ3081","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","4-Amino-3,5-diethyl-4<i>H</i>-1,2,4-triazole at 100K: chains of edge-fused <i>R</i>~4~^4^(10) and <i>R</i>~4~^4^(20) rings","Acta Crystallographica Section C","2007","63","7","o431","o433","10.1107/S0108270107026339","","","0.71073","MoKα","","0.0508","0.0354","","","0.085","0.0908","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016048","7.8995","0.0008","9.5228","0.001","21.093","0.002","90","","90","","90","","1586.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,9,10,17,18-hexahydro-5H,11H-8,16,19-trioxa-5,11- diazadibenzo[a,g]cyclopentadecene","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.0261","0.0258","","","0.0708","0.071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016049","11.837","0.002","18.116","0.003","9.2565","0.0018","90","","109.485","0.005","90","","1871.3","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,7,9,10,12,13,20,21-octahydro-5H,14H-8,11,19,22-tetraoxa- 5,14-diazadibenzo[a,g]cyclooctadecene","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","0.5","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.035","0.0334","","","0.0889","0.0908","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016050","13.507","0.008","5.133","0.003","14.644","0.008","90","","112.336","0.009","90","","939.1","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,7,9,10,17,18,20,21-octahydro-16H,22H-5,8,11,19-tetraoxa-16,22- diazadibenzo[a,j]cyclooctadecene 0.3-hydrate","","- C20 H26.608 N2 O4.304 -","- C20 H26.608 N2 O4.304 -","- C40 H53.216 N4 O8.608 -","2","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.1141","0.0532","","","0.0804","0.0954","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016051","13.8094","0.0007","7.4331","0.0004","16.1484","0.0009","90","","98.43","0.003","90","","1639.67","0.15","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0785","0.0398","","","0.0786","0.091","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016052","13.7708","0.0008","7.4195","0.0003","16.1242","0.0007","90","","98.455","0.002","90","","1629.54","0.14","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0698","0.0388","","","0.0776","0.0873","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016053","13.7338","0.0006","7.407","0.0003","16.0959","0.0007","90","","98.467","0.001","90","","1619.53","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0634","0.036","","","0.0708","0.0792","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016054","13.6927","0.0006","7.392","0.0003","16.0641","0.0006","90","","98.499","0.002","90","","1608.1","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0585","0.0345","","","0.0725","0.08","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016055","13.6376","0.0005","7.3758","0.0003","16.0446","0.0009","90","","98.594","0.002","90","","1595.78","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0421","0.0288","","","0.0612","0.0654","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016056","9.6834","0.0006","14.296","0.0008","22.297","0.0013","92.389","0.002","99.896","0.003","92.476","0.002","3034.1","0.3","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","2,12-Dichloro-10,20-diphenyl-5,7,15,17-tetrahydro-6<i>H</i>,16<i>H</i>- dibenzo[d,l][1,9,2,6,10,14]dioxotetraazacyclohexadecine-6,16-dione dioxane solvate","","- C34 H30 Cl2 N4 O6 -","- C34 H30 Cl2 N4 O6 -","- C136 H120 Cl8 N16 O24 -","4","2","LN3049","Khrustalev, Victor N.; Komissarov, Eugene A.; Kulikov, Oleg V.","2,12-Dichloro-10,20-diphenyl-5,7,15,17-tetrahydro-6<i>H</i>,16<i>H</i>-dibenzo[<i>d</i>,<i>l</i>][1,9,2,6,10,14]dioxotetraazacyclohexadecine-6,16-dione dioxane solvate as a potential macrocyclic hexadentate ligand","Acta Crystallographica Section C","2007","63","7","o374","o377","10.1107/S0108270107021415","","","0.71073","MoKα","","0.0725","0.0459","","","0.1065","0.1261","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016057","4.8983","0.0002","22.8232","0.0013","12.5799","0.0009","90","","104.249","0.007","90","","1363.1","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]","","- C10 H12 F6 N2 Sn2 -","- C10 H12 F6 N2 Sn2 -","- C40 H48 F24 N8 Sn8 -","4","1","LN3053","Boufas, Sihem; Merazig, Hocine; Moliterni , Anna Grazia; Altomare, Angela","Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]","Acta Crystallographica Section C","2007","63","7","m315","m317","10.1107/S0108270107023815","","","0.71073","MoKα","","","0.0326","","","","0.0699","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016058","6.5978","0.0003","29.2458","0.0015","28.663","0.0013","90","","90.521","0.002","90","","5530.5","0.5","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒dimethyl sulfoxide (2/5)","","- C51 H44 N5 O8.5 S2.5 -","- C50 H41 N5 O8 S2 -","- C200 H164 N20 O32 S8 -","4","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.1522","0.0852","","","0.1905","0.2114","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016059","7.6005","0.0003","15.6609","0.001","18.6149","0.0012","77.718","0.003","89.63","0.004","78.805","0.004","2122.4","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒4-acetylpyridine‒tetrahydrofuran (1/2/10)","","- C100 H123 N7 O18 -","- C60 H43 N7 O8 -","- C60 H43 N7 O8 -","1","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.0813","0.0521","","","0.127","0.1352","","","","","","0.798","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016060","33.403","0.01","5.902","0.005","19.97","0.007","90","","114.56","0.02","90","","3581","4","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","4-chloroanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","4-chloroanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","","- C15 H14 Cl I N2 O5 S -","- C15 H14 Cl I N2 O5 S -","- C120 H112 Cl8 I8 N16 O40 S8 -","8","1","SF3040","Graham Smith; Urs D. Wermuth; Peter C. Healy","Proton-transfer compounds of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with 4-chloroaniline and 4-bromoaniline","Acta Crystallographica Section C","2007","63","7","o405","o407","10.1107/S0108270107025772","","","0.71073","MoKα","","0.0716","0.0586","","","0.1522","0.1628","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016061","33.494","0.009","5.927","0.004","19.963","0.007","90","","114.29","0.02","90","","3612","3","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","4-bromoanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","4-bromoanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","","- C15 H14 Br I N2 O5 S -","- C15 H14 Br I N2 O5 S -","- C120 H112 Br8 I8 N16 O40 S8 -","8","1","SF3040","Graham Smith; Urs D. Wermuth; Peter C. Healy","Proton-transfer compounds of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with 4-chloroaniline and 4-bromoaniline","Acta Crystallographica Section C","2007","63","7","o405","o407","10.1107/S0108270107025772","","","0.71073","MoKα","","0.0504","0.0275","","","0.0882","0.1102","","","","","","0.811","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016062","8.6938","0.0005","12.1331","0.0007","19.5321","0.0012","90","","90","","90","","2060.3","0.2","273","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4-{3-[2-(dimethylamino)ethyl]-1<i>H</i>-indol-5- ylmethyl}oxazolidin-2-one benzene solvate","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.041","0.0393","","","0.1113","0.1132","","","","","","1.292","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016063","8.7618","0.0013","19.506","0.003","12.1767","0.0018","90","","91.399","0.002","90","","2080.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-{3-[2-(dimethylamino)ethyl]-1<i>H</i>-indol-5- ylmethyl}oxazolidin-2-one phenol solvate","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","2","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.0505","0.0472","","","0.1332","0.1366","","","","","","1.187","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016064","11.5109","0.0019","16.882","0.003","7.9362","0.0019","90","","93.034","0.017","90","","1540.1","0.5","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,6-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","2","SK3120","Marciniak, Bernard","Naphthalene-1,6-diol: a three-dimensional framework built from O—H···O, O—H···π and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","7","o419","o422","10.1107/S010827010702642X","","","0.71073","MoKα","","0.0873","0.0579","","","0.1237","0.14","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016065","7.2248","0.0006","8.3273","0.0007","8.3403","0.0008","89.1","0.006","87.002","0.006","65.225","0.005","454.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-aminopyridinium) hexachloridostannate(IV)","","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","1","0.5","SK3125","Rademeyer, M.; Lemmerer, A.; Billing, David G.","Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(<i>p</i>-toluidinium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","7","m289","m292","10.1107/S010827010702327X","","","0.71073","MoKα","","0.0213","0.0202","","","0.0508","0.0514","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016066","7.1166","0.0005","25.304","0.002","11.6862","0.0009","90","","90.239","0.004","90","","2104.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(p-toluidinium)hexachloridostannate(IV)","","- C14 H20 Cl6 N2 Sn -","- C14 H20 Cl6 N2 Sn -","- C56 H80 Cl24 N8 Sn4 -","4","1","SK3125","Rademeyer, M.; Lemmerer, A.; Billing, David G.","Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(<i>p</i>-toluidinium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","7","m289","m292","10.1107/S010827010702327X","","","0.71073","MoKα","","","0.0328","","","","0.0822","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016067","11.7604","0.0004","14.9847","0.0007","15.1844","0.0008","90","","90","","90","","2675.9","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","rac-2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C104 H128 N16 O24 S8 -","8","2","SK3126","Cunico, Wilson; Gomes, Claudia R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Racemic 2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one crystallizes in the space group <i>P</i>2~1~2~1~2~1~ with <i>Z</i>' = 2: two different interpenetrating three-dimensional frameworks formed by C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","7","o411","o414","10.1107/S0108270107022913","","","0.71073","MoKα","","0.0987","0.0464","","","0.0706","0.0831","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016068","6.536","0.0002","13.4507","0.0003","13.8558","0.0004","117.135","0.001","100.612","0.001","92.7217","0.0019","1053.4","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-iodophenyl)porphyrin chloroform 0.85-solvate","","- C44.85 H26.85 Cl2.55 I4 N4 -","- C44.852 H26.852 Cl2.556 I4 N4 -","- C44.852 H26.852 Cl2.556 I4 N4 -","1","0.5","SK3127","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","The nature of supramolecular interactions in tetrakis(4-iodophenyl)porphyrin and its zinc(II) complex","Acta Crystallographica Section C","2007","63","7","m300","m303","10.1107/S0108270107023104","","","0.71073","MoKα","","0.0702","0.0471","","","0.1194","0.1339","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016069","10.2165","0.0003","9.2289","0.0003","20.5252","0.0005","90","","97.914","0.002","90","","1916.83","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tetrakis(4-iodophenyl)porphyrinato]zinc(II)","","- C44 H24 I4 N4 Zn -","- C44 H24 I4 N4 Zn -","- C88 H48 I8 N8 Zn2 -","2","0.5","SK3127","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","The nature of supramolecular interactions in tetrakis(4-iodophenyl)porphyrin and its zinc(II) complex","Acta Crystallographica Section C","2007","63","7","m300","m303","10.1107/S0108270107023104","","","0.71073","MoKα","","0.0677","0.0432","","","0.1058","0.119","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016070","4.6657","0.0002","9.4172","0.0004","11.6841","0.0004","109.752","0.0017","98.598","0.002","90.926","0.002","476.51","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-cyano-4-iodoacetanilide","","- C9 H7 I N2 O -","- C9 H7 I N2 O -","- C18 H14 I2 N4 O2 -","2","1","SK3136","Garden, Simon J.; Custódio, Cíntia de A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2-Cyano-4-iodoacetanilide: a hydrogen-bonded chain of <i>R</i>~2~^2^(12) and <i>R</i>~2~^2^(14) rings","Acta Crystallographica Section C","2007","63","7","o408","o410","10.1107/S0108270107026492","","","0.71073","MoKα","","0.0285","0.0265","","","0.0564","0.0577","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016071","10.5672","0.0003","14.5838","0.0003","7.3453","0.0003","90","","90","","90","","1131.98","0.06","293","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","triterbium rubidium heptaoxide","","- O7 Ru Tb3 -","- O7 Ru Tb3 -","- O56 Ru8 Tb24 -","8","2","SQ3070","Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi; James R. Hester","Synchrotron X-ray study of noncentrosymmetric Tb~3~RuO~7~ with partial structural disorder","Acta Crystallographica Section C","2007","63","7","i43","i46","10.1107/S0108270107021993","","","0.6886","synchrotron","","0.022","0.018","","0.035","","0.027","","","1.166","","","0.975","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016072","5.5364","0.0001","10.9918","0.0002","11.8432","0.0002","107.631","0.001","102.397","0.001","93.562","0.001","664.56","0.02","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Sodium tris(glycinium) bis(hexafluorosilicate) tris(glycine)","","- C12 H33 F12 N6 Na O12 Si2 -","- C12 H33 F12 N6 Na O12 Si2 -","- C12 H33 F12 N6 Na O12 Si2 -","1","0.5","SQ3076","Naranya, Moolya B.; Chitharanjan Raj; Dharmaprakash, S. M.; Harrison, William T. A.","Sodium tris(glycinium) bis(hexafluorosilicate) glycine trisolvate","Acta Crystallographica Section C","2007","63","7","m312","m314","10.1107/S0108270107021774","","","0.71073","MoKα","","0.0261","0.0235","","","0.0592","0.0608","","","","","","1.065","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2016073","11.4361","0.0008","21.5977","0.0016","14.7334","0.0011","90","","101.466","0.001","90","","3566.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-1κO-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2- oxidophenyl)imidazolidine-1κ^4^O,N,N',O';2κ^4^O',N'',N''',O''}- (μ-2-oxidobenzaldehyde-1:2κ^3^O^2^:O^2^,O^1^)dinickel(II) 2.38-hydrate","","- C34 H36 N4 Ni2 O8.38 -","- C34 H38.76 N4 Ni2 O8.38 -","- C136 H155.04 N16 Ni8 O33.52 -","4","1","AV3086","Lu, Li-Ping; Lu, Xiao-Ping; Zhu, Miao-Li","Aqua-1κ<i>O</i>-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)imidazolidine-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';2κ^4^<i>O</i>',<i>N</i>'',<i>N</i>''',<i>O</i>''}(μ-2-formylphenolato-1:2κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^)dinickel(II) trihydrate: a one-dimensional chain linked by O—H···O hydrogen bonds and C—H···π interactions","Acta Crystallographica Section C","2007","63","8","m374","m376","10.1107/S0108270107023256","","","0.71073","MoKα","","0.0816","0.0586","","","0.1455","0.1682","","","","","","1.069","","","","has coordinates,has disorder","206183","2020-10-21","18:00:00",""
"2016074","11.3274","0.0008","17.809","0.0012","12.9556","0.0009","90","","94.885","0.001","90","","2604","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,2-bis(diphenylphosphino)ethane-κ^2^P,P']difluoridoruthenium(II) trichloromethane disolvate","","- C54 H50 Cl6 F2 P4 Ru -","- C54 H50 Cl6 F2 P4 Ru -","- C108 H100 Cl12 F4 P8 Ru2 -","2","0.5","AV3094","Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John","Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']difluoridoruthenium(II) trichloromethane disolvate","Acta Crystallographica Section C","2007","63","8","m383","m384","10.1107/S0108270107030466","","","0.71073","MoKα","","0.0601","0.0519","","","0.1387","0.1449","","","","","","1.054","","","","has coordinates,has Fobs","198633","2020-10-21","18:00:00",""
"2016075","10.5281","0.001","7.4585","0.0011","16.341","0.002","90","","90","","90","","1283.2","0.3","100","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-5-bromo-1H-imidazole","","- C4 H4 Br N3 O2 -","- C4 H4 Br N3 O2 -","- C32 H32 Br8 N24 O16 -","8","1","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0611","0.0497","","","0.1289","0.1392","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016076","7.7166","0.0015","8.1716","0.0011","11.715","0.002","74.278","0.014","77.63","0.017","77.15","0.014","683.9","0.2","295","1","293","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-4-nitro-1H-imidazole-5-carbonitrile","","- C5 H4 N4 O2 -","- C5 H4 N4 O2 -","- C20 H16 N16 O8 -","4","2","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0856","0.0424","","","0.0974","0.1045","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016077","20.9386","0.0018","8.8654","0.0007","16.056","0.0015","90","","124.559","0.005","90","","2454.5","0.4","293","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dibarium μ-oxo-bis(pentachlororuthenate(IV)) decahydrate","","- Ba2 Cl10 H20 O11 Ru2 -","- Ba2 Cl10 H20 O11 Ru2 -","- Ba8 Cl40 H80 O44 Ru8 -","4","0.5","BC3046","Boufas, Sihem; Hadjadj, Nasr-Eddine; Merazig, Hocine; Moliterni , Anna Grazia; Altomare, Angela","Hydrogen bonding and structure of Ba~2~Ru~2~Cl~10~O·10H~2~O","Acta Crystallographica Section C","2007","63","8","i60","i62","10.1107/S0108270107029551","","","0.71073","MoKα","","","0.0291","","","","0.0697","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016078","6.237","0.0004","7.2005","0.0005","10.7066","0.0008","92.868","0.004","92.743","0.005","105.524","0.004","461.77","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium tris[dioxidovanadium(V)] bis[trioxidotellurium(IV)]","","- Li O12 Te2 V3 -","- Li O12 Te2 V3 -","- Li2 O24 Te4 V6 -","2","1","BC3051","Johnston, Magnus G.; Harrison, William T. A.","Li(VO~2~)~3~(TeO~3~)~2~","Acta Crystallographica Section C","2007","63","8","i57","i59","10.1107/S010827010702954X","","","0.71073","MoKα","","0.0435","0.0359","","","0.0845","0.0885","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016079","9.9885","0.0001","9.9885","0.0001","9.9885","0.0001","90","","90","","90","","996.55","0.02","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","tyrrellite","copper cobalt nickel tetraselenide","","- Co1.36 Cu Ni0.64 Se4 -","- Co1.36 Cu Ni0.64 Se4 -","- Co10.88 Cu8 Ni5.12 Se32 -","8","0.0416667","BC3052","Yang, Hexiong; Hubler, David K.; Lavina, Barbara; Downs, Robert T.; Costin, Gelu","Tyrrellite, Cu(Co~0.68~Ni~0.32~2)~2~Se~4~, isostructural with spinel","Acta Crystallographica, Section C","2007","63","8","i73","i74","10.1107/S010827010703048X","","","0.71073","MoKα","","0.0169","0.0139","","","0.027","0.0275","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016080","9.4053","0.0004","13.8617","0.0007","18.0405","0.0009","107.361","0.005","99.069","0.004","101.086","0.004","2144.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κS)lead(II)","","- C34 H62 N2 O6 Pb S2 Si2 -","- C34 H62 N2 O6 Pb S2 Si2 -","- C68 H124 N4 O12 Pb2 S4 Si4 -","2","1","BG3039","Chojnacki, Jaroslaw; Kloskowska, Magdalena; Janowska, Urszula; Wojnowski, Wieslaw","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) and (4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) benzene hemisolvate","Acta Crystallographica Section C","2007","63","8","m349","m351","10.1107/S0108270107029629","","","0.71073","MoKα","","0.0489","0.0398","","","0.095","0.0994","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016081","10.204","0.002","13.359","0.003","21.109","0.004","84.57","0.03","83.05","0.03","85.29","0.03","2836.2","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(4,7-diphenyl-1,10-phenanthroline-κ^2^N,N')bis(tri-<i>tert</i>- butoxysilanethiolato-κS)lead(II) benzene hemisolvate","","- C51 H73 N2 O6 Pb S2 Si2 -","- C51 H73 N2 O6 Pb S2 Si2 -","- C102 H146 N4 O12 Pb2 S4 Si4 -","2","1","BG3039","Chojnacki, Jaroslaw; Kloskowska, Magdalena; Janowska, Urszula; Wojnowski, Wieslaw","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) and (4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) benzene hemisolvate","Acta Crystallographica Section C","2007","63","8","m349","m351","10.1107/S0108270107029629","","","0.71073","MoKα","","0.0781","0.0372","","","0.0983","0.118","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016082","8.365","0.002","9.795","0.003","20.946","0.005","90","","90","","90","","1716.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[pentaaquasulfato-μ~4~-(R,R)-tartrato-dicadmium(II)] trihydrate]","","- C4 H20 Cd2 O18 S -","- C4 H20 Cd2 O18 S -","- C16 H80 Cd8 O72 S4 -","4","1","BG3040","Drzewiecka, Aleksandra; Stepniak, Krystyna; Barcicka, Anna; Koziol, Anna E.","Poly[[pentaaquasulfato-μ~4~-(<i>R</i>,<i>R</i>)-tartrato-dicadmium(II)] trihydrate]","Acta Crystallographica Section C","2007","63","8","m346","m348","10.1107/S0108270107027862","","","0.71073","MoKα","","0.0614","0.0371","","","0.0547","0.0589","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016083","25.518","0.003","9.706","0.0012","16.758","0.002","90","","120.045","0.002","90","","3592.9","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-oxido-bis{bis[2-(dimethylaminomethyl)phenyl]stannol}","","- C36 H50 N4 O3 Sn2 -","- C36 H50 N4 O3 Sn2 -","- C144 H200 N16 O12 Sn8 -","4","0.5","BG3041","Rotar, Adina; Varga, Richard A.; Silvestru, Cristian","Intramolecular interactions in μ-oxido-bis{bis[2-(dimethylaminomethyl)phenyl]stannol}","Acta Crystallographica Section C","2007","63","8","m355","m356","10.1107/S0108270107030156","","","0.71073","MoKα","","0.0573","0.0422","","","0.0846","0.0899","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016084","13.997","0.0008","7.5441","0.0004","16.359","0.0012","90","","99.031","0.002","90","","1706.01","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(2,4-pentanedionato-κ^2^O,O')chromium(III)","","- C15 H21 Cr O6 -","- C15 H21 Cr O6 -","- C60 H84 Cr4 O24 -","4","1","BG3044","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')chromium(III) at 290 and 110K: a new δ phase at 110K","Acta Crystallographica Section C","2007","63","8","m377","m382","10.1107/S0108270107033823","","","0.71073","MoKα","","0.0551","0.0424","","","0.1181","0.1271","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016085","27.5823","0.0002","7.4656","0.0001","48.6012","0.0004","90","","99.2731","0.0003","90","","9877.09","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(2,4-pentanedionato-κ^2^O,O')chromium(III)","","- C15 H21 Cr O6 -","- C15 H21 Cr O6 -","- C360 H504 Cr24 O144 -","24","6","BG3044","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')chromium(III) at 290 and 110K: a new δ phase at 110K","Acta Crystallographica Section C","2007","63","8","m377","m382","10.1107/S0108270107033823","","","0.71073","MoKα","","0.0854","0.04","","","0.1146","0.1385","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016086","11.7045","0.0008","10.3432","0.0007","5.7082","0.0004","90","","90","","90","","691.05","0.08","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tricalcium monogermanate dichloride","","- Ca3 Cl2 Ge O4 -","- Ca3 Cl2 Ge O4 -","- Ca12 Cl8 Ge4 O16 -","4","0.5","EM3006","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~3~GeO~4~Cl~2~ with a norbergite-like structure","Acta Crystallographica Section C","2007","63","8","i69","i72","10.1107/S0108270107030478","","","0.71073","MoKα","","","0.0246","","","","0.057","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016087","3.8205","0.0006","15.986","0.002","11.608","0.0012","90","","90.546","0.011","90","","708.92","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-3-(3-pyridyl)acrylic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","FA3092","Alexander Briceño; Reinaldo Atencio; Raquel Gil; Alejandra Nobrega","Hydrogen-bonded networks in <i>trans</i>-3-(3-pyridyl)acrylic acid and <i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","Acta Crystallographica Section C","2007","63","8","o441","o444","10.1107/S0108270107027497","","","0.71073","MoKα","","0.0666","0.0406","","","0.098","0.1122","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016088","7.3938","0.0013","14.829","0.003","15.25","0.003","90","","90","","90","","1672.1","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","","- C16 H16 Cl2 N2 O4 -","- C16 H16 Cl2 N2 O4 -","- C64 H64 Cl8 N8 O16 -","4","1","FA3092","Alexander Briceño; Reinaldo Atencio; Raquel Gil; Alejandra Nobrega","Hydrogen-bonded networks in <i>trans</i>-3-(3-pyridyl)acrylic acid and <i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","Acta Crystallographica Section C","2007","63","8","o441","o444","10.1107/S0108270107027497","","","0.7107","MoKα","","0.0503","0.0381","","","0.0882","0.1031","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016089","7.8862","0.0012","20.501","0.005","7.7119","0.0013","90","","102.633","0.016","90","","1216.6","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato- κO^1^:κ^2^O^4^:O^4'^] monohydrate]","","- C8 H11 N O10 Zn -","- C8 H11 N O10 Zn -","- C32 H44 N4 O40 Zn4 -","4","1","FA3096","Guo, Ming-Lin; Guo, Chen-Hu","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato-κ<i>O</i>^1^:κ^2^<i>O</i>^4^,<i>O</i>^4'^] monohydrate]","Acta Crystallographica Section C","2007","63","8","m352","m354","10.1107/S0108270107030946","","","0.71073","MoKα","","0.0409","0.0339","","","0.0781","0.0806","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016090","4.8053","0.0006","11.42","0.001","26.732","0.003","90","","93.181","0.002","90","","1464.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-thiobis(2-naphthol)","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","FA3098","Mague, Joel T.; Balakrishna, Maravanji S.; Punji, Banudhar; Suresh, Devarajan","Two crystalline modifications of 1,1'-thiobis(2-naphthol)","Acta Crystallographica Section C","2007","63","8","o487","o488","10.1107/S0108270107032738","","","0.71073","MoKα","","0.0708","0.0449","","","0.0958","0.1059","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016091","13.6508","0.0009","5.2192","0.0003","21.265","0.001","90","","105.409","0.001","90","","1460.59","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-thiobis(2-naphthol)","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","FA3098","Mague, Joel T.; Balakrishna, Maravanji S.; Punji, Banudhar; Suresh, Devarajan","Two crystalline modifications of 1,1'-thiobis(2-naphthol)","Acta Crystallographica Section C","2007","63","8","o487","o488","10.1107/S0108270107032738","","","0.71073","MoKα","","0.0556","0.044","","","0.0833","0.0905","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016092","15.178","0.002","7.4496","0.0012","19.751","0.003","90","","112.397","0.003","90","","2064.8","0.5","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine‒water (1/2)","2,3-dimethoxystrychnidin-10-one‒water (1/2)","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","2","GA3057","Graham Smith; Urs D. Wermuth; Jonathan M. White","Pseudopolymorphism in brucine: brucine‒water (1/2), the third crystal hydrate of brucine","Acta Crystallographica Section C","2007","63","8","o489","o492","10.1107/S0108270107032295","","","0.71073","MoKα","","0.0606","0.048","","","0.0855","0.0898","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016093","7.6538","0.0014","11.022","0.002","15.056","0.003","90","","99.561","0.016","90","","1252.5","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","4-Ethynyl[2.2]paracyclophane","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0849","0.0418","","","0.0912","0.103","","","","","","0.864","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016094","7.6316","0.001","7.8177","0.001","12.4446","0.0016","78.125","0.002","72.339","0.002","73.971","0.002","673.9","0.15","143","2","143","2","","","","","","","","2","P -1","-P 1","2","","4,12-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.051","0.0449","","","0.1208","0.126","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016095","11.8823","0.0012","11.8823","0.0012","8.4426","0.0012","90","","90","","120","","1032.3","0.2","143","2","143","2","","","","","","","","2","P 31","P 31","144","","4,13-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C60 H48 -","3","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0407","0.0348","","","0.0857","0.0882","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016096","7.6187","0.001","10.8231","0.0016","8.6293","0.0012","90","","101.23","0.006","90","","697.93","0.17","143","2","143","2","","","","","","","","2","P 1 21 1","P 2yb","4","","4,15-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0384","0.036","","","0.096","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016097","12.5475","0.0012","12.5475","0.0012","7.8705","0.001","90","","90","","120","","1073.1","0.2","143","2","143","2","","","","","","","","2","P 31","P 31","144","","4,16-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C60 H48 -","3","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0439","0.037","","","0.096","0.1005","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016098","14.981","0.003","13.956","0.002","18.309","0.003","90","","105.8","0.01","90","","3683.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(phthalocyaninato-κ^4^N)magnesium(II) 3-chloropyridine disolvate","","- C42 H26 Cl2 Mg N10 O -","- C42 H26 Cl2 Mg N10 O -","- C168 H104 Cl8 Mg4 N40 O4 -","4","1","GG3098","Vasyl Kinzhybalo; Jan Janczak","Aqua(phthalocyaninato-κ^4^<i>N</i>)magnesium(II) 3-chloropyridine disolvate","Acta Crystallographica Section C","2007","63","8","m357","m360","10.1107/S0108270107030089","","","0.71073","MoKα","","0.1045","0.0631","","","0.085","0.1107","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016099","14.7933","0.0003","20.0349","0.0004","14.8243","0.0003","90","","90.282","0.0007","90","","4393.61","0.15","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C12 H15 N O S -","- C12 H15 N O S -","- C192 H240 N16 O16 S16 -","16","4","HJ3044","Sonar, Vijayakumar N.; M. Venkatraj; Parkin, Sean; Crooks, Peter A.","<i>rac</i>-(<i>Z</i>)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2007","63","8","o493","o495","10.1107/S0108270107033690","","","0.71073","MoKα","","0.0763","0.0436","","","0.0995","0.1138","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016100","10.1283","0.0009","10.1283","0.0009","18.948","0.003","90","","90","","120","","1683.3","0.3","86","2","86","2","","","","","","","","3","R -3 :H","-R 3","148","ZnTe6O13","zinc(II) hexatellurium(IV) tridecaoxide","","- O13 Te6 Zn -","- O13 Te6 Zn -","- O78 Te36 Zn6 -","6","0.333333","IZ3022","Nawash, Jalal M.; Twamley, Brendan; Lynn, Kelvin G.","ZnTe~6~O~13~, a new ZnO‒TeO~2~ phase","Acta Crystallographica Section C","2007","63","8","i66","i68","10.1107/S0108270107027412","","","0.71073","MoKα","","0.0213","0.02","","","0.0593","0.0604","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016101","7.7257","0.0003","10.2208","0.0003","13.4225","0.0004","96.879","0.002","96.354","0.002","107.158","0.002","993.44","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Acemetacin monohydrate","2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}acetic acid monohydrate","","- C21 H20 Cl N O7 -","- C21 H20 Cl N O7 -","- C42 H40 Cl2 N2 O14 -","2","1","JZ3078","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Acemetacin monohydrate","Acta Crystallographica Section C","2007","63","8","o451","o453","10.1107/S0108270107030065","","","0.71073","MoKα","","0.0633","0.0464","","","0.1187","0.1274","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016102","12.7944","0.0009","9.3494","0.0007","10.0269","0.0007","90","","90","","90","","1199.42","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","","- C9 H20 Cl N3 O -","- C9 H20 Cl N3 O -","- C36 H80 Cl4 N12 O4 -","4","1","SF3043","Guzei, Ilia A.; Keter, Frankline K.; Spencer, Lara C.; Darkwa, James","Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","Acta Crystallographica Section C","2007","63","8","o481","o483","10.1107/S0108270107031952","","","0.71073","MoKα","","0.0266","0.023","","","0.0564","0.0591","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016103","5.8633","0.0012","9.681","0.002","9.772","0.002","65.336","0.003","75.334","0.003","78.44","0.003","484.82","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[aquazinc(II)]-μ~3~-tyrosinato]","","- C9 H9 N O4 Zn -","- C9 H9 N O4 Zn -","- C18 H18 N2 O8 Zn2 -","2","1","SF3044","Dong-Qing Li; Jian Zhou; Xing Liu","The one-dimensional chain polymer of aqua(tyrosinato)zinc(II)","Acta Crystallographica Section C","2007","63","8","m371","m373","10.1107/S010827010703185X","","","0.71073","MoKα","","0.0499","0.0438","","","0.1057","0.1089","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016104","15.848","0.003","10.689","0.002","20.078","0.005","90","","91.38","0.011","90","","3400.2","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)benzaldehyde‒6-phenyl-1,3,5-triazine-2,4-diamine (1/1)","","- C18 H20 N6 O -","- C18 H20 N6 O -","- C144 H160 N48 O8 -","8","1","SF3045","Habibi, Mohammad Hossein; Zendehdel, Mahmoud; Barati, Kazem; Harrington, Ross W.; Clegg, William","A 1:1 cocrystal of 4-(dimethylamino)benzaldehyde and 6-phenyl-1,3,5-triazine-2,4-diamine","Acta Crystallographica Section C","2007","63","8","o474","o476","10.1107/S0108270107031307","","","0.71073","MoKα","","0.0635","0.0446","","","0.1145","0.1285","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016105","6.229","0.002","6.244","0.003","14.475","0.003","90","","99.05","0.03","90","","556","0.3","293","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-5-benzylhydantoin monohydrate","(S)-5-Benzylimidazolidine-2,4-dione monohydrate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C20 H24 N4 O6 -","2","1","SK3128","Delgado, Gerzon E.; Mora, Asiloé J.; Uzcátegui, Jorge; Bahsas, Ali; Briceño, Alexander","(<i>S</i>)-5-Benzylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section C","2007","63","8","o448","o450","10.1107/S0108270107028090","","","0.71069","MoKα","","0.0526","0.0466","","","0.1346","0.1408","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016106","11.606","0.006","12.155","0.002","22.12","0.004","90","","90","","90","","3120.5","1.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate)","","- C29 H26 Cl2 Cu N6 O8 Se -","- C29 H26 Cl2 Cu N6 O8 Se -","- C116 H104 Cl8 Cu4 N24 O32 Se4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.118","0.0735","","","0.119","0.144","","","","","","1.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016107","11.493","0.007","11.861","0.009","20.166","0.01","90","","90","","90","","2749","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione- κ<i>S</i>)copper(II) bis(perchlorate)","","- C23 H22 Cl2 Cu N6 O8 S -","- C23 H22 Cl2 Cu N6 O8 S -","- C92 H88 Cl8 Cu4 N24 O32 S4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.0723","0.0611","","","0.15","0.164","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016108","7.943","0.0019","7.966","0.0011","9.943","0.003","87.637","0.013","82.632","0.018","89.941","0.017","623.4","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,5-Dimethyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C16 H15 N3 -","- C16 H15 N3 -","- C32 H30 N6 -","2","1","SK3137","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","2,5-Dimethyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline and 2-<i>tert</i>-butyl-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline","Acta Crystallographica Section C","2007","63","8","o458","o461","10.1107/S0108270107029010","","","0.71073","MoKα","","0.1335","0.0669","","","0.1686","0.2203","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016109","11.2632","0.0005","11.4574","0.0007","12.1317","0.0006","93.449","0.005","90.313","0.004","102.791","0.006","1523.66","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-tert-Butyl-5-methyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","2","SK3137","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","2,5-Dimethyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline and 2-<i>tert</i>-butyl-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline","Acta Crystallographica Section C","2007","63","8","o458","o461","10.1107/S0108270107029010","","","0.71073","MoKα","","0.1255","0.0649","","","0.1615","0.2129","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016110","10.4081","0.0005","24.0202","0.0011","10.2842","0.0005","90","","93.314","0.01","90","","2566.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(2-methoxyphenylonethylidene)-1,4-di-p-tosyl-1,2,3,4-tetraquinoxaline","(E)-2-(2-methoxybenzylidene)-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C120 H112 N8 O20 S8 -","4","1","SK3138","Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee","Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2007","63","8","o496","o500","10.1107/S0108270107032234","","","0.71073","MoKα","","0.0356","0.0321","","","0.0886","0.0904","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016111","10.1431","0.0007","11.7721","0.0004","11.8879","0.0009","101.093","0.001","103.928","0.002","91.248","0.003","1348.55","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-methyl 2-[(1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxalin-2-ylidene)methyl]benzoate","","- C31 H28 N2 O6 S2 -","- C31 H28 N2 O6 S2 -","- C62 H56 N4 O12 S4 -","2","1","SK3138","Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee","Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2007","63","8","o496","o500","10.1107/S0108270107032234","","","0.71073","MoKα","","0.0399","0.0355","","","0.0904","0.0939","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016112","12.1494","0.0004","5.1355","0.0002","18.6969","0.0006","90","","102.079","0.002","90","","1140.73","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-(2-nitrophenylhydrazono)butanoate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0686","0.0454","","","0.1046","0.117","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016113","10.61","0.0003","12.1878","0.0004","20.522","0.002","90","","90","","90","","2653.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(2,4-dinitrophenylhydrazono)butanoate","","- C11 H12 N4 O6 -","- C11 H12 N4 O6 -","- C88 H96 N32 O48 -","8","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0655","0.0443","","","0.1053","0.1158","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016114","15.0138","0.0009","5.2952","0.0003","10.9469","0.0006","90","","90","","90","","870.29","0.09","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0494","0.0392","","","0.088","0.0925","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016115","8.891","0.0003","10.1699","0.0006","13.4731","0.0007","90","","100.415","0.003","90","","1198.17","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-isopropylidene-3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0997","0.0595","","","0.1444","0.1654","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016116","6.8119","0.001","7.0301","0.0012","8.5403","0.0013","66.631","0.016","80.204","0.013","71.305","0.014","355.19","0.11","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","5-chloro-1,2-dimethyl-4-nitro-1H-imidazole","","- C5 H6 Cl N3 O2 -","- C5 H6 Cl N3 O2 -","- C10 H12 Cl2 N6 O4 -","2","1","SK3142","Kubicki, Maciej; Wagner, Paweł","Two different modes of halogen bonding in two 4-nitroimidazole derivatives","Acta Crystallographica Section C","2007","63","8","o454","o457","10.1107/S0108270107029721","","","0.71073","MoKα","","0.0294","0.0253","","","0.0641","0.0656","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016117","11.655","0.0009","6.1372","0.0005","8.6994","0.0006","90","","90","","90","","622.26","0.08","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-chloro-1-methyl-4-nitro-1H-imidazole","","- C4 H4 Cl N3 O2 -","- C4 H4 Cl N3 O2 -","- C16 H16 Cl4 N12 O8 -","4","0.5","SK3142","Kubicki, Maciej; Wagner, Paweł","Two different modes of halogen bonding in two 4-nitroimidazole derivatives","Acta Crystallographica Section C","2007","63","8","o454","o457","10.1107/S0108270107029721","","","0.71073","MoKα","","0.0538","0.0298","","","0.0578","0.0646","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016118","8.258","0.0006","9.6225","0.0007","10.7899","0.0007","90","","101.382","0.001","90","","840.53","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[caesium(I) [(μ~4~-ethylenediphosphonato)cobalt(II)]],","","- C2 H5 Co Cs O6 P2 -","- C2 H5 Co Cs O6 P2 -","- C8 H20 Co4 Cs4 O24 P8 -","4","1","SQ3080","Fu, Shu-Juan; Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A tetrahedrally coordinated cobalt(II) phosphonate with a three-dimensional framework containing two-dimensional channels","Acta Crystallographica Section C","2007","63","8","m368","m370","10.1107/S0108270107029113","","","0.71073","MoKα","","0.0329","0.0313","","","0.0786","0.0796","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016119","24.493","0.005","12.355","0.003","19.539","0.004","90","","102.43","0.03","90","","5774","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","mer-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^O,N,O')cobalt(II)","","- C30 H24 Co N6 O4 S2 -","- C30 H24 Co N6 O4 S2 -","- C240 H192 Co8 N48 O32 S16 -","8","1","SQ3082","Ke, Yuan-Zhen; Zheng, Leng-Feng; Luo, Jian-Hai; Huang, Xi-He; Huang, Chang-Cang","<i>mer</i>-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section C","2007","63","8","m343","m345","10.1107/S0108270107027631","","","0.71073","MoKα","","0.128","0.0548","","","0.0995","0.1194","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016120","10.7928","0.0002","11.4223","0.0002","12.2417","0.0002","90","","100.619","0.001","90","","1483.29","0.05","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Dichloridobis(diethyl sulfide-κS)platinum(II)","","- C8 H20 Cl2 Pt S2 -","- C8 H20 Cl2 Pt S2 -","- C32 H80 Cl8 Pt4 S8 -","4","1","SQ3085","Hansson, Christian","<i>cis</i>-Dichloridobis(diethyl sulfide-κ<i>S</i>)platinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","8","m361","m363","10.1107/S0108270107030417","","","0.71073","MoKα","","0.0561","0.0272","","","0.0606","0.0764","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016121","10.7598","0.0005","11.1976","0.0005","12.1559","0.0005","90","","101.536","0.004","90","","1435","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Dichloridobis(diethyl sulfide-κS)platinum(II)","","- C8 H20 Cl2 Pt S2 -","- C8 H20 Cl2 Pt S2 -","- C32 H80 Cl8 Pt4 S8 -","4","1","SQ3085","Hansson, Christian","<i>cis</i>-Dichloridobis(diethyl sulfide-κ<i>S</i>)platinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","8","m361","m363","10.1107/S0108270107030417","","","0.71073","MoKα","","0.0388","0.0267","","","0.0674","0.0797","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016122","8.7451","0.0011","10.0346","0.0013","10.7877","0.0014","95.377","0.001","104.954","0.001","104.047","0.002","874.82","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(4-pyridyl)ethenyl]pyridinium 2-carboxybenzenesulfonate","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C38 H32 N4 O10 S2 -","2","1","SQ3086","Zhang, Jing; Zhu, Long-Guan","Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines","Acta Crystallographica Section C","2007","63","8","o484","o486","10.1107/S0108270107033008","","","0.71073","MoKα","","0.0492","0.0391","","","0.0995","0.1109","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016123","7.1807","0.0006","7.1807","0.0006","36.171","0.003","90","","90","","90","","1865.1","0.3","295","2","295","2","","","","","","","","5","P 41","P 4w","76","","1,10-phenanthrolin-1-ium 4-carboxybenzenesulfonate dihydrate","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","SQ3086","Zhang, Jing; Zhu, Long-Guan","Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines","Acta Crystallographica Section C","2007","63","8","o484","o486","10.1107/S0108270107033008","","","0.71073","MoKα","","0.0392","0.0358","","","0.0952","0.0992","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016124","29.384","0.006","7.146","0.001","21.75","0.004","90","","126.39","0.03","90","","3676.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4- <i>b</i>]pyridin-3(2<i>H</i>)-one","","- C20 H23 N3 O S -","- C20 H23 N3 O S -","- C160 H184 N24 O8 S8 -","8","1","TR3017","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one and 4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2007","63","8","o477","o480","10.1107/S0108270107031071","","","1.54178","CuKα","","0.0477","0.0464","","","0.2004","0.2065","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016125","17.548","0.003","11.007","0.002","9.033","0.002","90","","93.83","0.03","90","","1740.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1- yl)methyl]isothiazolo[5,4-<i>b</i>]-3(2<i>H</i>)-one","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C80 H84 N12 O4 S4 -","4","1","TR3017","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one and 4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2007","63","8","o477","o480","10.1107/S0108270107031071","","","1.54178","CuKα","","0.0395","0.039","","","0.1132","0.114","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016126","6.021","0.004","28.789","0.011","7.426","0.005","90","","107.89","0.04","90","","1225","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","p-carboxylphenylammonium (2R,3R)-tartrate","4-Carboxyanilinium (2R,3R)-tartrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","2","AV3090","S. Athimoolam; S. Natarajan","4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2007","63","9","o514","o517","10.1107/S0108270107022469","","","0.71073","MoKα","","0.0699","0.0391","","","0.0855","0.1059","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016127","18.5712","0.0008","3.8431","0.0003","18.6321","0.0009","90","","93.67","0.011","90","","1327.06","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","p-aminobenzoic acid","4-Aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","AV3090","S. Athimoolam; S. Natarajan","4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2007","63","9","o514","o517","10.1107/S0108270107022469","","","0.71073","MoKα","","0.1072","0.0656","","","0.2065","0.2271","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016128","8.9547","0.0013","10.6215","0.0015","11.3899","0.0016","80.393","0.005","86.408","0.003","80.138","0.002","1051.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[pyridinecopper(II)]bis(μ~3~-4-(2-\ oxidobenzylideneamino)benzoato)] dimethylformamide disolvate]","","- C22 H21 Cu N3 O4 -","- C22 H21 Cu N3 O4 -","- C44 H42 Cu2 N6 O8 -","2","1","AV3097","Qing-Ling Ni; Fa-Si Li; Xiu-Jian Wang; Xian-Su Bi; Sen Liao","<i>catena</i>-Poly[[[pyridinecopper(II)]bis[μ~3~-4-(2-oxidobenzylideneamino)benzoato]] dimethylformamide disolvate], a polymer composed of dimeric dicopper building units","Acta Crystallographica Section C","2007","63","9","m416","m418","10.1107/S010827010703781X","","","0.71073","MoKα","","0.0712","0.0592","","","0.171","0.1842","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016129","10.6087","0.0016","9.4342","0.001","11.1367","0.0019","90","","118","0.006","90","","984.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[μ~2~-4-aminobenzoato-aqua-μ~2~-nitrato-zinc]","","- C7 H8 N2 O6 Zn -","- C7 H8 N2 O6 Zn -","- C28 H32 N8 O24 Zn4 -","4","1","AV3098","Zhang, Quan-Zheng","Poly[μ~2~-4-aminobenzoato-aqua-μ~2~-nitrato-zinc]","Acta Crystallographica Section C","2007","63","9","m405","m406","10.1107/S0108270107036256","","","0.71073","MoKα","","0.0571","0.0422","","","0.0844","0.0915","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016130","25.711","0.002","6.6934","0.0004","15.007","0.001","90","","103.656","0.006","90","","2509.6","0.3","296","","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquazinc(II) dipicrate trihydrate","","- C12 H22 N6 O23 Zn -","- C12 H22 N6 O23 Zn -","- C48 H88 N24 O92 Zn4 -","4","1","BG3046","Kazumasa Honda; Hiroshi Yamawaki; Hiroshi Fujihisa; Takehiro Matsunaga; Makoto Matsukawa","Hexaaquazinc(II) dipicrate trihydrate","Acta Crystallographica Section C","2007","63","9","m423","m426","10.1107/S0108270107035111","","","0.7107","MoKα","","","0.0487","","","","0.1339","","","","","","1.312","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2016131","14.4002","0.0007","14.5478","0.0007","21.0119","0.001","90","","133.017","0.003","90","","3218.4","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile){2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine}\ dicholoridoruthenium(II) dichloromethane solvate","","- C30 H36 Cl4 N4 Ru -","- C30 H36 Cl4 N4 Ru -","- C120 H144 Cl16 N16 Ru4 -","4","1","BG3047","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(Acetonitrile){2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine}dichloridoruthenium(II) dichloromethane solvate","Acta Crystallographica Section C","2007","63","9","m407","m409","10.1107/S0108270107036669","","","0.71073","MoKα","","0.1016","0.0589","","","0.1656","0.1795","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016132","5.4957","0.0006","11.6909","0.0014","11.7435","0.0014","103.142","0.01","101.398","0.009","98.332","0.009","705.88","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","trans-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>) copper(II)","trans-bis(3-amino-2-phenyl-4H-1-benzopyran-4-one- κ^2^N,O^4^)bis(perchlorato-κO)copper(II)","","- C30 H22 Cl2 Cu N2 O12 -","- C30 H22 Cl2 Cu N2 O12 -","- C30 H22 Cl2 Cu N2 O12 -","1","0.5","BM3030","Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Glinka, Łukasz; Ochocki, Justyn","<i>trans</i>-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>)copper(II), a new potential antitumour agent","Acta Crystallographica Section C","2007","63","9","m410","m412","10.1107/S010827010703747X","","","0.71073","MoKα","","0.0576","0.037","","","0.0795","0.0842","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016133","25.806","0.009","9.546","0.0013","23.577","0.01","90","","106.6","0.04","90","","5566","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-H-nicotinamidium(1+) decavanadate(V) dihydrate","Hexakis[3-(aminocarbonyl)pyridinium] decavanadate(V) dihydrate","","- C36 H46 N12 O36 V10 -","- C36 H46 N12 O36 V10 -","- C144 H184 N48 O144 V40 -","4","0.5","DN3044","Pacigová, Silvia; Rakovský, Erik; Sivák, Michal; Žák, Zdirad","Hexakis[3-(aminocarbonyl)pyridinium] decavanadate(V) dihydrate","Acta Crystallographica Section C","2007","63","9","m419","m422","10.1107/S0108270107028557","","","0.71073","MoKα","","0.0245","0.0207","","","0.0611","0.0624","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016134","8.2706","0.0016","8.3878","0.0016","30.342","0.006","90","","93.542","0.002","90","","2100.9","0.7","293","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquabis[μ~4~-2-hydroxy-4- (4-sulfonatophenyldiazenyl)benzoato]dibarium(II)] 4,4'-bipyridine solvate]","","- C36 H36 Ba2 N6 O18 S2 -","- C36 H36 Ba2 N6 O18 S2 -","- C72 H72 Ba4 N12 O36 S4 -","2","0.5","DN3047","Hong Liu; Zhan-Feng Ju; Wei Li; Jie Zhang","Poly[[hexaaquabis[μ~4~-2-hydroxy-5-(4-sulfonatophenyldiazenyl)benzoato]dibarium(II)] 4,4'-bipyridine solvate]","Acta Crystallographica Section C","2007","63","9","m413","m415","10.1107/S0108270107028235","","","0.71073","MoKα","","0.0264","0.025","","","0.0601","0.0609","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016135","5.3812","0.0003","9.9032","0.0006","20.1882","0.0012","90","","90","","90","","1075.85","0.11","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-Methyl 2-anilinomethylene-3-oxobutanoate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","DN3055","Vratislav Langer; Eva Scholtzová; Viktor Milata; Tomáš Solčan","(<i>E</i>)-Methyl 2-anilinomethylene-3-oxobutanoate: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","9","o552","o554","10.1107/S0108270107034397","","","0.71073","MoKα","","0.0459","0.0353","","","0.0929","0.1","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016136","10.0649","0.0011","11.0187","0.0012","12.0352","0.0013","73.357","0.002","79.305","0.003","85.411","0.004","1256.1","0.2","301","1","301","1","","","","","","","","4","P -1","-P 1","2","Amitriptylinium picrate","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1- aminium 2,4,6-trinitrophenolate","","- C26 H26 N4 O7 -","- C26 H26 N4 O7 -","- C52 H52 N8 O14 -","2","1","FA3097","Bindya, S.; Wong, Wing-Tak; Ashok, M. A.; Yathirajan, H. S.; Rathore, R. S.","Amitriptylinium picrate: conformational disorder","Acta Crystallographica Section C","2007","63","9","o546","o548","10.1107/S0108270107037468","","","0.71073","MoKα","","0.0724","0.0575","","","0.162","0.1783","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016137","7.009","0.002","14.148","0.004","6.656","0.002","90","","90","","90","","660","0.3","85","2","85","2","","","","","","","","5","C m c m","-C 2c 2","63","","Calcium chloride rhenate(VII) dihydrate","","- Ca Cl H4 O6 Re -","- Ca Cl H4 O6 Re -","- Ca4 Cl4 H16 O24 Re4 -","4","0.25","FA3099","Jarek, Urszula; Hołyńska, Małgorzata; Ślepokura, Katarzyna; Lis, Tadeusz","Calcium chloride rhenate(VII) dihydrate","Acta Crystallographica Section C","2007","63","9","i77","i79","10.1107/S0108270107037456","","","0.71073","MoKα","","0.0176","0.0155","","","0.0368","0.0373","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016138","12.513","0.009","5.0135","0.0013","4.7628","0.0015","90","","111.854","0.004","90","","277.3","0.2","200","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Barium tetrafluoridoborate","","- B2 Ba F8 -","- B2 Ba F8 -","- B4 Ba2 F16 -","2","0.25","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.029","0.029","","","0.0699","0.0699","","","","","","1.194","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016139","9.121","0.007","8.714","0.006","13.18","0.009","90","","90","","90","","1047.6","1.3","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium tetrafluoridoborate","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.0498","0.046","","","0.1487","0.153","","","","","","1.086","","","","has coordinates,has Fobs","282533","2023-04-10","15:17:41",""
"2016140","11.854","0.002","7.7308","0.0013","7.6827","0.0013","90","","92.407","0.003","90","","703.4","0.2","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.026","0.022","","","0.052","0.054","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016141","8.4303","0.0017","5.6453","0.0012","15.248","0.003","90","","104.346","0.003","90","","703","0.2","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.058","0.031","","","0.055","0.061","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016142","7.2077","0.0017","4.1543","0.001","23.317","0.006","90","","90.314","0.004","90","","698.2","0.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.065","0.047","","","0.115","0.122","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016143","11.499","0.002","4.0006","0.0007","14.717","0.003","90","","90.9","0.003","90","","676.9","0.2","174","2","174","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-(4-Chlorobenzylidene)-2-(4-iodobenzylidene)diazane","","- C14 H10 Cl I N2 -","- C14 H10 Cl I N2 -","- C28 H20 Cl2 I2 N4 -","2","1","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.063","0.038","","","0.066","0.072","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016144","6.4968","0.0005","10.2591","0.0011","13.3852","0.001","90","","90","","90","","892.14","0.14","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[μ~3~-(boric acid)-μ~4~-maleato-dipotassium]","","- C4 H5 B K2 O7 -","- C4 H5 B K2 O7 -","- C16 H20 B4 K8 O28 -","4","1","GA3059","Mustafa Tombul; Kutalmis Guven; Orhan Büyükgüngör; Huseyin Aktas; Tahsin Nuri Durlu","Dipotassium maleate with boric acid","Acta Crystallographica Section C","2007","63","9","m430","m432","10.1107/S0108270107036165","","","0.71073","MoKα","","0.0278","0.0273","","","0.0714","0.0718","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016145","29.067","0.0011","11.256","0.0009","10.148","0.0007","90","","96.58","0.005","90","","3298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-2'',3''-dihydrocyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-2,2''-dione","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C152 H192 N16 O16 -","8","2","GA3060","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","1'-Methylcyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione and 1,1'-dimethylpiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2'',4-dione","Acta Crystallographica Section C","2007","63","9","o538","o542","10.1107/S0108270107035779","","","0.71069","MoKα","","0.1215","0.0426","","","0.0928","0.1195","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016146","9.5194","0.0007","21.8847","0.0014","15.5413","0.0011","90","","93.86","0.04","90","","3230.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-dimethyl-2'',3''-dihydropiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-4,2''-dione","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C136 H168 N24 O16 -","8","2","GA3060","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","1'-Methylcyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione and 1,1'-dimethylpiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2'',4-dione","Acta Crystallographica Section C","2007","63","9","o538","o542","10.1107/S0108270107035779","","","0.71073","MoKα","","0.1755","0.0478","","","0.098","0.1344","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016147","7.051","0.0005","14.5981","0.0011","10.6214","0.0008","90","","108.046","0.001","90","","1039.49","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqua(μ~4~-oxydiacetato)lanthanum(III)] nitrate]","","- C4 H10 La N O11 -","- C4 H10 La N O11 -","- C16 H40 La4 N4 O44 -","4","1","GA3062","Griselda Polla; María Teresa Garland; Ricardo Baggio","Structure and thermal decomposition of poly[[triaqua(μ~4~-oxydiacetato)lanthanum(III)] nitrate]","Acta Crystallographica Section C","2007","63","9","m385","m388","10.1107/S0108270107034245","","","0.71073","MoKα","","0.0339","0.028","","","0.0611","0.0631","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016148","6.8284","0.0001","10.6888","0.0002","18.5505","0.0003","90","","94.305","0.001","90","","1350.13","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[cadmium(II)]-bis(μ-6-methylpicolinato)]","","- C14 H12 Cd N2 O4 -","- C14 H12 Cd N2 O4 -","- C56 H48 Cd4 N8 O16 -","4","1","GD3123","Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana","A one-dimensional Cd^II^ coordination polymer: <i>catena</i>-poly[cadmium(II)-bis(μ-6-methylpicolinato)]","Acta Crystallographica Section C","2007","63","9","m389","m391","10.1107/S0108270107034646","","","0.71073","MoKα","","0.0448","0.0272","","","0.0572","0.0615","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016149","12.8718","0.0006","8.0615","0.0003","8.3059","0.0003","90","","100.695","0.002","90","","846.9","0.06","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-1,1-dioxo-1,2-benzoisothiazole-3-thiolato- κ^3^N:S^3^:S^3^)silver(I)]","","- C7 H4 Ag N O2 S2 -","- C7 H4 Ag N O2 S2 -","- C28 H16 Ag4 N4 O8 S8 -","4","1","GD3125","Dennehy, Mariana; Quinzani, Oscar V.; Burrow, Robert A.","Poly[(μ~3~-1,1-dioxo-1,2-benzoisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)silver(I)]","Acta Crystallographica Section C","2007","63","9","m395","m397","10.1107/S0108270107035597","","","0.71073","MoKα","","0.0356","0.0297","","","0.071","0.0748","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016150","6.1242","0.0004","18.8223","0.0007","11.7466","0.0004","90","","104.962","0.003","90","","1308.14","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trinitroethanol","2,2,2-Trinitroethanol","","- C2 H3 N3 O7 -","- C2 H3 N3 O7 -","- C16 H24 N24 O56 -","8","2","GD3132","Göbel, Michael; Klapötke, Thomas M.","2,2,2-Trinitroethanol","Acta Crystallographica Section C","2007","63","9","o562","o564","10.1107/S0108270107037833","","","0.71073","MoKα","","0.0432","0.0371","","","0.0874","0.0919","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016151","7.001","0.006","7.21","0.006","8.102","0.007","91.085","0.007","91.052","0.007","107.764","0.007","389.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","N-acetyl-thiohydantoin-alanine","<i>rac</i>-1-acetyl-5-methyl-2-thioxoimidazolidin-4-one","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C12 H16 N4 O4 S2 -","2","1","GD3133","Sulbaran, Maria E; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Novoa de Armas, Hector; Blaton, Norbert","Hydrogen-bonding patterns in <i>rac</i>-1-acetyl-5-methyl-2-thioxoimidazolidin-4-one","Acta Crystallographica Section C","2007","63","9","o543","o545","10.1107/S0108270107038012","","","0.71069","MoKα","","0.0687","0.0407","","","0.0985","0.1051","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016152","9.3571","0.0009","7.8717","0.0006","9.8053","0.0008","90","","91.943","0.007","90","","721.81","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2-carboxypyridinium) hexafluorosilicate","","- C12 H12 F6 N2 O4 Si -","- C12 H12 F6 N2 O4 Si -","- C24 H24 F12 N4 O8 Si2 -","2","0.5","GG3102","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Domasevitch, Konstantin V.","Hydrogen-bonded frameworks of bis(2-carboxypyridinium) hexafluorosilicate and bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","Acta Crystallographica Section C","2007","63","9","o530","o534","10.1107/S0108270107035469","","","0.71073","MoKα","","0.0395","0.0325","","","0.0898","0.0923","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016153","6.6382","0.0006","9.4274","0.0009","17.0668","0.0014","90","","91.731","0.008","90","","1067.57","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","","- C20 H20 F6 N2 O6 Si -","- C20 H20 F6 N2 O6 Si -","- C40 H40 F12 N4 O12 Si2 -","2","0.5","GG3102","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Domasevitch, Konstantin V.","Hydrogen-bonded frameworks of bis(2-carboxypyridinium) hexafluorosilicate and bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","Acta Crystallographica Section C","2007","63","9","o530","o534","10.1107/S0108270107035469","","","0.71073","MoKα","","0.0413","0.0366","","","0.0992","0.1015","","","","","","1.046","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016154","7.4861","0.0013","17.2008","0.0013","8.0283","0.0019","90","","111.972","0.013","90","","958.7","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4',6,6'-tetrachloro-2,2'-(piperazin-1,4-diyldimethylene)diphenol","","- C18 H18 Cl4 N2 O2 -","- C18 H18 Cl4 N2 O2 -","- C36 H36 Cl8 N4 O4 -","2","0.5","GG3104","Kubono, Koji; Yokoi, Kunihiko","Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section C","2007","63","9","o535","o537","10.1107/S0108270107035408","","","0.71069","MoKα","","","0.0402","","","","0.1248","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016155","10.36","0.003","12.191","0.0017","15.332","0.005","90","","90","","90","","1936.4","0.9","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4',6,6'-tetrachloro-2,2'-(piperazin-1,4-diyldimethylene)diphenol","","- C18 H18 Cl4 N2 O2 -","- C18 H18 Cl4 N2 O2 -","- C72 H72 Cl16 N8 O8 -","4","0.5","GG3104","Kubono, Koji; Yokoi, Kunihiko","Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section C","2007","63","9","o535","o537","10.1107/S0108270107035408","","","0.71069","MoKα","","","0.0366","","","","0.106","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016156","12.898","0.0012","14.5217","0.0015","19.47","0.002","70.482","0.009","78.89","0.007","77.513","0.009","3327","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Compound (III)","Tris(dimethylamido)bis(dimethylamine)titanium(IV) chlorido[tris(pentafluorophenyl)boron‒amido]\ [tris(pentafluorophenyl)boron‒nitrido]bis(dimethylamine)titanate(IV) toluene solvate","","- C114 H111 B4 Cl2 F60 N18 Ti4 -","- C107 H103 B4 Cl2 F60 N18 Ti4 -","- C107 H103 B4 Cl2 F60 N18 Ti4 -","1","0.5","GG3107","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.","Tris(dimethylamido)bis(dimethylamine)titanium(IV) chloridobis(dimethylamine)[tris(pentafluorophenyl)boron‒amido][tris(pentafluorophenyl)boron‒nitrido]titanate(IV) toluene solvate","Acta Crystallographica Section C","2007","63","9","m401","m404","10.1107/S0108270107035238","","","0.71073","MoKα","","0.0956","0.058","","","0.1306","0.1439","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016157","8.1491","0.0005","15.9071","0.001","29.495","0.002","90","","91.379","0.001","90","","3822.3","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Iodidomesityltellurium(II) iodidotrimesitylditellurium(II)(Te—Te)","","- C36 H44 I2 Te3 -","- C36 H44 I2 Te3 -","- C144 H176 I8 Te12 -","4","1","GG3108","Copolovici, Lucian; Silvestru, Cristian; Lippolis, Vito; Varga, Richard A.","Iodidomesityltellurium(II) iodidotrimesitylditellurium(II)(<i>Te{—</i>Te})","Acta Crystallographica Section C","2007","63","9","o528","o529","10.1107/S0108270107035123","","","0.71073","MoKα","","0.0759","0.0604","","","0.1209","0.1271","","","","","","1.231","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016158","5.2767","0.0008","5.5375","0.0005","10.2809","0.0013","104.598","0.01","90.393","0.012","104.834","0.01","280.2","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1-deoxy-1-morpholino-D-fructopyranose","","- C10 H19 N O6 -","- C10 H19 N O6 -","- C10 H19 N O6 -","1","1","GG3112","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets of <i>R</i>~2~^2^(10) and <i>R</i>~4~^4^(24) rings in 1-deoxy-1-morpholino-<small>D</small>-fructopyranose","Acta Crystallographica Section C","2007","63","9","o507","o509","10.1107/S0108270107034312","","","0.71073","MoKα","","0.0373","0.0305","","","0.0699","0.0749","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016159","6.1225","0.0007","15.7539","0.0017","15.202","0.0016","90","","95.936","0.001","90","","1458.4","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(1-(anilino)-2, 2, 2-trichloroethyl)benzenamine","2,2,2-trichloro-<i>N</i>,<i>N</i>'-diphenylethane-1,1-diamine","","- C14 H13 Cl3 N2 -","- C14 H13 Cl3 N2 -","- C56 H52 Cl12 N8 -","4","1","HJ3039","Zhen-Feng Zhang; Dong-Chao Wang; Jian-Ge Wang; Gui-Rong Qu","Two <i>N</i>,<i>N</i>'-diaryl-2,2,2-trichloroethane-1,1-diamines: hydrogen-bonded supramolecular structures in one and two dimensions","Acta Crystallographica Section C","2007","63","9","o524","o527","10.1107/S0108270107034956","","","0.71073","MoKα","","0.0548","0.0373","","","0.0803","0.09","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016160","5.9238","0.0007","14.6193","0.0016","19.093","0.002","90","","96.992","0.001","90","","1641.2","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(1-(p-toluidino)-2,2,2-trichloroethyl)-4-methylbenzenamine","2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methylphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 -","- C16 H17 Cl3 N2 -","- C64 H68 Cl12 N8 -","4","1","HJ3039","Zhen-Feng Zhang; Dong-Chao Wang; Jian-Ge Wang; Gui-Rong Qu","Two <i>N</i>,<i>N</i>'-diaryl-2,2,2-trichloroethane-1,1-diamines: hydrogen-bonded supramolecular structures in one and two dimensions","Acta Crystallographica Section C","2007","63","9","o524","o527","10.1107/S0108270107034956","","","0.71073","MoKα","","0.0507","0.0378","","","0.0917","0.0992","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016161","11.5241","0.0016","11.6958","0.0016","12.453","0.002","80.499","0.003","62.449","0.002","75.937","0.002","1440.8","0.4","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2- oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-myo-inositol 1,3,5-orthoacetate","","- C32 H34 O11 S -","- C32 H34 O11 S -","- C64 H68 O22 S2 -","2","2","HJ3047","K. Manoj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","Different interaction motifs of dipolar S=O···C=O contacts that associate diastereomers of 2,4(6)-di-<i>O</i>-benzoyl-6(4)-<i>O</i>-{[(1<i>S</i>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-<i>myo</i>-inositol 1,3,5-orthoacetate","Acta Crystallographica Section C","2007","63","9","o555","o558","10.1107/S0108270107035858","","","0.71073","MoKα","","0.0543","0.0523","","","0.1338","0.1362","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016162","5.2347","0.001","7.1855","0.0013","8.9972","0.0016","110.756","0.012","96.827","0.013","99.511","0.019","306.28","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","2'-deoxyimmunosine","5-amino-3-(2-deoxy-β-D-erythro-pentofuranosyl)thiazolo[4,5-d]pyrimidine- 2,7-(3H,6H)-dione","","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","1","1","JZ3073","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxyimmunosine: a thiazolo[4,5-<i>d</i>]pyrimidine nucleoside adopting the <i>syn</i> conformation","Acta Crystallographica Section C","2007","63","9","o549","o551","10.1107/S010827010703750X","","","0.71073","MoKα","","0.0267","0.0266","","","0.0727","0.0728","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016163","9.793","0.002","10.17","0.002","14.374","0.002","82.78","0.02","80.07","0.02","78.35","0.02","1374.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>O</i>-phenyl triphenylphosphoniummethylenephosphonate phenol solvate","","- C31 H28 O4 P2 -","- C31 H28 O4 P2 -","- C62 H56 O8 P4 -","2","1","SK3145","Chęcińska, Lilianna; Rybarczyk-Pirek, Agnieszka J.; Kudzin, Zbigniew H.; Okruszek, Andrzej","<i>O</i>-Phenyl (triphenylphosphoniomethyl)phosphonate phenol solvate: supramolecular structure generated by O—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2007","63","9","o504","o506","10.1107/S0108270107032453","","","0.71069","MoKα","","0.0612","0.0328","","","0.0793","0.082","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016164","12.3516","0.0008","7.5202","0.0004","17.1564","0.0013","90","","100.699","0.005","90","","1565.89","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C68 H56 N16 O16 -","4","1","SK3149","Portilla, Jaime; Mata, Ernesto G.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","Acta Crystallographica Section C","2007","63","9","o510","o513","10.1107/S010827010703346X","","","0.71073","MoKα","","0.103","0.0564","","","0.1403","0.1775","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016165","31.0506","0.0004","5.421","0.0011","20.7251","0.0012","90","","121.071","0.006","90","","2988","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","SK3149","Portilla, Jaime; Mata, Ernesto G.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","Acta Crystallographica Section C","2007","63","9","o510","o513","10.1107/S010827010703346X","","","0.71073","MoKα","","0.0762","0.0479","","","0.1111","0.1336","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016166","10.4339","0.0003","11.1284","0.0003","17.1616","0.0005","90","","96.014","0.0001","90","","1981.71","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^O:O)bis{[4-(dimethylamino)pyridine-κN^1^]copper(II)}","","- C42 H40 Cu2 N4 O8 -","- C42 H40 Cu2 N4 O8 -","- C84 H80 Cu4 N8 O16 -","2","0.5","SK3150","Bora, Sanchay Jyoti; Sarmah, Purabi; Phukan, Prodeep; Das, Birinchi K.","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>)bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]copper(II)}","Acta Crystallographica Section C","2007","63","9","m392","m394","10.1107/S0108270107034944","","","0.71073","MoKα","","0.0335","0.0262","","","0.0681","0.072","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016167","12.715","0.003","5.133","0.001","14.406","0.004","90","","113.63","0.01","90","","861.4","0.4","273","2","179","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-dihydrobenzotriazolium hydrogensulfate","","- C6 H7 N3 O4 S -","- C6 H7 N3 O4 S -","- C24 H28 N12 O16 S4 -","4","1","SQ3078","Angel Ramos-Organillo; Rosalinda Contreras","A new sulfate acid polymorph of 1,3-dihydrobenzotriazole","Acta Crystallographica Section C","2007","63","9","o501","o503","10.1107/S0108270107031241","","","0.71073","MoKα","","0.046","0.0352","","","0.0864","0.0947","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016168","5.4455","0.0002","5.44546","","12.2649","0.0009","90","","90","","120","","314.97","0.03","297","","297","","","","","","","","","2","R -3 m :H","-R 3 2""","166","boron subnitride","boron nitride","","- B13 N2 -","- B13 N2 -","- B39 N6 -","3","0.0833333","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016169","8.7979","0.0018","8.7979","","5.037","0.003","90","","90","","90","","389.9","0.2","297","","297","","","","","","","","","1","P -4 n 2","P -4 -2n","118","boron-rich nitride","boron nitride","","- B -","- B0.96 -","- B48 -","50","6.25","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016170","2.49824","0.00008","2.49824","","6.6357","0.0002","90","","90","","120","","35.8662","0.0016","297","","297","","","","","","","","","2","P -6 m 2","P -6 2","187","hexagonal boron nitride","boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016171","10.1398","0.0003","10.1398","","10.1398","","65.351","0.003","65.3509","","65.3509","","823.05","0.03","297","","297","","","","","","","","","1","R -3 m :R","-P 3* 2","166","beta-rhombohedral boron","boron","","- B -","- B -","- B105 -","105","8.75","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016172","7.0453","","7.0453","","9.6","0.01","90","","90","","120","","412.7","0.4","297","","297","","","","","","","","","3","P 32","P 32","145","boric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016173","2.54","","2.54","","6.598","0.003","90","","90","","120","","36.865","0.017","297","","297","","","","","","","","","2","P -6 m 2","P -6 2","187","","boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016174","8.3038","0.0002","10.1267","0.0003","11.2984","0.0003","76.733","0.002","79.565","0.002","86.276","0.002","909.16","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua-1κO,2κ^3^O-(μ-2,4-dinitrophenolato-1κ^2^O^1^,O^2^:2κO^1^)\ (2,4-dinitrophenolato-1κ^2^O^1^,O^2^)dilithium(I)","","- C12 H14 Li2 N4 O14 -","- C12 H14 Li2 N4 O14 -","- C24 H28 Li4 N8 O28 -","2","1","SQ3089","Kim, Eun-Ju; Kim, Chong-Hyeak; Yun, Sock-Sung","Tetraaqua-1κ<i>O</i>,2κ^3^<i>O</i>-(μ-2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ<i>O</i>^1^)(2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^)dilithium(I): a dinuclear lithium(I) complex","Acta Crystallographica Section C","2007","63","9","m427","m429","10.1107/S0108270107037651","","","0.71073","MoKα","","0.0483","0.037","","","0.1055","0.1152","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016175","16.3631","0.0018","5.6428","0.0005","9.1251","0.0008","90","","101.418","0.01","90","","825.88","0.14","100","1","100","1","","","","","","","","4","P 1 c 1","P -2yc","7","N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","2,2'-[pentane-1,5-diylbis(nitrilomethylidyne)]diphenol","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","SQ3092","Pospieszna-Markiewicz, Izabela; Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","Acta Crystallographica Section C","2007","63","9","o559","o561","10.1107/S0108270107037900","","","0.71073","MoKα","","0.0753","0.0626","","","0.1067","0.1132","","","","","","1.146","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016176","11.787","0.003","12.554","0.003","3.9242","0.0007","90","","90","","90","","580.7","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","poly[di-μ~2~-bromido-μ~2~-4,4'-bipyridine-cadmium(II)]","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.125","TR3011","Wen-Tong Chen; Xiao-Niu Fang; Qiu-Yan Luo; Ya-Ping Xu; Yan-Ping Duan","Poly[μ~2~-4,4'-bipyridine-di-μ~2~-bromido-cadmium(II)], with novel colour-tunable fluorescence","Acta Crystallographica Section C","2007","63","9","m398","m400","10.1107/S0108270107030028","","","0.71073","MoKα","","0.017","0.0168","","","0.0422","0.0423","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016177","16.144","0.0004","12.7191","0.0003","14.6859","0.0003","90","","90","","90","","3015.56","0.12","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H46 N10 O8 Zr3 -","- Co2 F18 H30 N10 O8 Zr3 -","- Co8 F72 H120 N40 O32 Zr12 -","4","0.25","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0515","0.0473","","","0.107","0.1094","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016178","16.037","0.0003","14.692","0.0002","12.9942","0.0002","90","","90","","90","","3061.64","0.09","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","bis[hexaamminecobalt(III)] tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H48 N12 O6 Zr3 -","- Co2 F18 H36 N12 O6 Zr3 -","- Co8 F72 H144 N48 O24 Zr12 -","4","0.5","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0497","0.0408","","","0.1052","0.1096","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016179","11.5536","0.0006","18.4508","0.0009","18.9844","0.001","90","","90","","90","","4047","0.4","84","2","84","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4,4'-DPyH2)2.(FeBr4)3.Br","bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","","- C20 H20 Br13 Fe3 N4 -","- C20 H20 Br13 Fe3 N4 -","- C80 H80 Br52 Fe12 N16 -","4","1","BG3043","Ali, Basem Fares; Al-Far, Rawhi","A novel framework of N—H···Br hydrogen bonds forming Br(4,4'-bipyridinium)~4~ supramolecular synthons: bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","Acta Crystallographica Section C","2007","63","10","m451","m453","10.1107/S0108270107039856","","","0.71073","MoKα","","0.0425","0.0301","","","0.052","0.0547","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016180","7.2117","0.0001","12.9868","0.0003","14.247","0.0004","90","","90","","90","","1334.33","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0533","0.0395","","","0.0922","0.1008","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016181","7.1118","0.0002","12.9364","0.0003","14.1538","0.0004","90","","90","","90","","1302.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0358","0.0317","","","0.081","0.0838","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016182","8.062","0.005","17.955","0.008","11.853","0.006","90","","98.26","0.02","90","","1698","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaqua-bis(2-methoxybenzaldehyde isonicotinoylhydrazonato)- cadmium(II) dinitrate","","- C28 H34 Cd N8 O14 -","- C28 H34 Cd N8 O14 -","- C56 H68 Cd2 N16 O28 -","2","0.5","BM3034","Fu, Zhongwu; Gao, Shaokang; Liu, Shixiong","Tetraaquabis(2-methoxybenzaldehyde isonicotinoylhydrazone)cadmium(II) dinitrate","Acta Crystallographica Section C","2007","63","10","m459","m461","10.1107/S0108270107044010","","","0.71073","MoKα","","0.0343","0.0278","","","0.0696","0.073","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016183","9.657","0.004","12.969","0.005","12.962","0.006","90","","107.092","0.017","90","","1551.7","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[1,3-di(5-methyl-2-pyridyl)phenyl-κ3N,N',C2]platinum(II)","","- C18 H15 Cl N2 Pt -","- C18 H15 Cl N2 Pt -","- C72 H60 Cl4 N8 Pt4 -","4","1","BM3040","Taichi Abe; Kazuteru Shinozaki; Noriaki Ikeda; Takayoshi Suzuki","[2,6-Bis(5-methyl-2-pyridyl)phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']chloridoplatinum(II)","Acta Crystallographica Section C","2007","63","10","m456","m458","10.1107/S0108270107044009","","","0.71075","MoKα","","0.0194","0.0177","","","0.0384","0.039","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016184","5.4258","0.0004","10.2027","0.0008","8.9074","0.0007","90","","90.502","0.005","90","","493.08","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Kolbeckite","scandium phosphate dihydrate","","- H4 O6 P Sc -","- H4 O6 P Sc -","- H16 O24 P4 Sc4 -","4","1","FA3100","Yang, Hexiong; Li, Chen; Jenkins, Robert A.; Downs, Robert T.; Costin, Gelu","Kolbeckite, ScPO~4~·2H~2~O, isomorphous with metavariscite","Acta Crystallographica Section C","2007","63","10","i91","i92","10.1107/S0108270107038036","","","0.71073","MoKα","","0.0636","0.0519","","","0.1462","0.1676","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016186","10.749","0.003","10.749","0.003","6.899","0.004","90","","90","","90","","797.1","0.6","298","2","298","2","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","strontium undecazinc","","- Sr Zn11 -","- Sr Zn11 -","- Sr4 Zn44 -","4","0.125","FA3104","Kal, Subhadeep; Stoyanov, Emil; Groy, Thomas L.; Häussermann, Ulrich","SrZn~11~: a new binary compound with the BaCd~11~ structure","Acta Crystallographica Section C","2007","63","10","i96","i98","10.1107/S0108270107041972","","","0.71073","MoKα","","0.0481","0.0341","","","0.0724","0.0766","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016187","6.6377","0.0002","10.1397","0.0003","21.9214","0.0006","76.609","0.001","86.563","0.01","90.004","0.001","1432.56","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","2,6-bis(azaindole)pyridine","2,6-bis(1H-pyrrolo[2,3-b]pyridin-1-yl)pyridine","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","2","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","1.54178","CuKα","","0.054","0.0457","","","0.1149","0.1221","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016188","6.6695","0.0001","23.2657","0.0004","13.3959","0.0002","90","","100.312","0.001","90","","2045.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[6-(1H-Pyrrolo[2,3-b]pyridin-1-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridin-7-ium tetrachloridoferrate(III)","","- C19 H14 Cl4 Fe N5 -","- C19 H14 Cl4 Fe N5 -","- C76 H56 Cl16 Fe4 N20 -","4","1","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","1.54178","CuKα","","0.0349","0.0289","","","0.0716","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016189","17.3858","0.0012","12.8324","0.0008","8.4011","0.0006","90","","94.726","0.002","90","","1867.9","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2,6-bis(1H-pyrrolo[2,3-b]pyridin-1-yl-κN^7^)pyridine-κN]bis(nitrato-\ κO)copper(II)","","- C19 H13 Cu N7 O6 -","- C19 H13 Cu N7 O6 -","- C76 H52 Cu4 N28 O24 -","4","0.5","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","0.7749","synchrotron","","0.0531","0.0516","","","0.1322","0.134","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016190","12.377","0.003","7.562","0.002","7.88","0.002","90","","91.509","0.003","90","","737.3","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-methyl-5-oxo-2-pyrroline-3-carboxylate","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","GD3127","Zhen-Feng Zhang; Jian-Ge Wang; Si-Qian Wang; Gui-Rong Qu","Two substituted 2-pyrrolin-5-ones: chains built from a single N—H···O hydrogen bond","Acta Crystallographica Section C","2007","63","10","o565","o567","10.1107/S0108270107038632","","","0.71073","MoKα","","0.0585","0.0476","","","0.1335","0.1423","","","","","","1.314","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016191","12.1211","0.0018","7.5078","0.0011","7.9542","0.0012","90","","106.74","0.002","90","","693.18","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-acetyl-2-methyl-2-pyrrolin-5-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","GD3127","Zhen-Feng Zhang; Jian-Ge Wang; Si-Qian Wang; Gui-Rong Qu","Two substituted 2-pyrrolin-5-ones: chains built from a single N—H···O hydrogen bond","Acta Crystallographica Section C","2007","63","10","o565","o567","10.1107/S0108270107038632","","","0.71073","MoKα","","0.0429","0.039","","","0.1199","0.1243","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016192","7.0875","0.0002","7.2827","0.0002","7.2971","0.0002","114.534","0.001","95.685","0.001","116.754","0.001","286.374","0.015","140","1","140","0.1","","","","","","","","3","P -1","-P 1","2","5,6,11,12-Tetrathiadibenzo[a,e]cyclooctene","2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene","","- C12 H8 S4 -","- C12 H8 S4 -","- C12 H8 S4 -","1","0.5","GD3134","Yearley, Eric J.; Lippert, Ernest L.; Mitchell, Donald J.; Pinkerton, A. Alan","2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene (precession camera <i>versus</i> CCD)","Acta Crystallographica Section C","2007","63","10","o576","o577","10.1107/S0108270107040358","","","0.71073","MoKα","","0.0242","0.0231","","","0.0666","0.0674","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016193","8.63","0.003","11.449","0.004","11.629","0.004","116.353","0.017","92.09","0.02","98.82","0.02","1010.3","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride monohydrate","","- C17 H24 Cl2 N4 O5 -","- C17 H24 Cl2 N4 O5 -","- C34 H48 Cl4 N8 O10 -","2","1","GD3137","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla","Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane","Acta Crystallographica Section C","2007","63","10","o597","o599","10.1107/S010827010704156X","","","0.71073","MoKα","","0.0492","0.0386","","","0.1029","0.1126","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016194","7.075","0.002","15.844","0.008","18.554","0.006","90","","90","","90","","2079.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride","","- C17 H22 Cl2 N4 O5 -","- C17 H22 Cl2 N4 O5 -","- C68 H88 Cl8 N16 O20 -","4","1","GD3137","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla","Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane","Acta Crystallographica Section C","2007","63","10","o597","o599","10.1107/S010827010704156X","","","0.71073","MoKα","","0.0811","0.0547","","","0.1294","0.1445","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016195","7.317","0.007","9.604","0.003","12.799","0.005","88.47","0.03","86.06","0.05","87.74","0.05","896.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)]","","- C36 H28 Mn2 N4 O16 S2 -","- C36 H28 Mn2 N4 O16 S2 -","- C36 H28 Mn2 N4 O16 S2 -","1","0.5","GD3138","Zhao-Xun Lian; Jia-Min Zhang; Ming-Lu Xu; Guang-Ri Xu; Tian-Jun Lou","Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2007","63","10","m445","m447","10.1107/S0108270107040498","","","1.54178","CuKα","","0.0458","0.0376","","","0.102","0.1053","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016196","16.0762","0.0011","9.5937","0.0005","16.1552","0.0011","90","","106.402","0.004","90","","2390.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Bis(dimethyl sulfide)dinitratoplatinum(II)","","- C4 H12 N2 O6 Pt S2 -","- C4 H12 N2 O6 Pt S2 -","- C32 H96 N16 O48 Pt8 S16 -","8","2","GG3113","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","10","m465","m468","10.1107/S0108270107040504","","","0.71073","MoKα","","0.0769","0.0454","","","0.1112","0.1198","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016197","15.9689","0.0007","9.502","0.0003","16.0399","0.0007","90","","105.94","0.003","90","","2340.26","0.17","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Bis(dimethyl sulfide)dinitratoplatinum(II)","","- C4 H12 N2 O6 Pt S2 -","- C4 H12 N2 O6 Pt S2 -","- C32 H96 N16 O48 Pt8 S16 -","8","2","GG3113","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","10","m465","m468","10.1107/S0108270107040504","","","0.71073","MoKα","","0.044","0.0324","","","0.0741","0.0769","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016198","6.3357","0.0009","15.523","0.0002","25.3654","0.0006","90","","90","","90","","2494.7","0.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-methoxy-3,3-dimethyl-3H-benzo[f]chromene","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.065","0.0397","","","0.0983","0.1079","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016199","10.735","0.0002","13.7043","0.0003","12.0692","0.0002","90","","106.343","0.001","90","","1703.83","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C80 H84 Br4 O8 -","4","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.0385","0.0264","","","0.069","0.0882","","","","","","1.181","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016200","19.8534","0.0006","11.5705","0.0002","14.0258","0.0004","90","","113.393","0.0013","90","","2957.09","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua(18-crown-6)cerium(III) hexacyanoferrate(III) dihydrate","","- C18 H36 Ce Fe N6 O12 -","- C18 H36 Ce Fe N6 O12 -","- C72 H144 Ce4 Fe4 N24 O48 -","4","0.5","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0278","0.0228","","","0.0473","0.0487","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016201","19.9552","0.0006","11.5063","0.0002","13.9706","0.0003","90","","113.419","0.0011","90","","2943.55","0.12","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua(18-crown-6)neodymium(III) hexacyanoferrate(III) dihydrate","","- C18 H36 Fe N6 Nd O12 -","- C18 H36 Fe N6 Nd O12 -","- C72 H144 Fe4 N24 Nd4 O48 -","4","0.5","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0207","0.0184","","","0.0425","0.0433","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016202","10.9324","0.0002","11.0996","0.0002","14.0119","0.0004","67.9012","0.0013","70.7291","0.0013","65.7231","0.0014","1404.76","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Triaqua(18-crown-6)samarium(III) hexacyanoferrate(III) dihydrate","","- C18 H34 Fe N6 O11 Sm -","- C18 H34 Fe N6 O11 Sm -","- C36 H68 Fe2 N12 O22 Sm2 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.04","0.0301","","","0.0631","0.0671","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016203","10.9125","0.0003","11.0947","0.0004","14.0119","0.0003","67.8201","0.0018","70.635","0.002","65.743","0.002","1400.57","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Triaqua(18-crown-6)europium(III) hexacyanoferrate(III) dihydrate","","- C18 H34 Eu Fe N6 O11 -","- C18 H34 Eu Fe N6 O11 -","- C36 H68 Eu2 Fe2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0808","0.077","","","0.2077","0.2116","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016204","11.0563","0.0002","11.1562","0.0002","14.2127","0.0003","68.3494","0.0011","70.0959","0.0012","66.0299","0.0012","1450.92","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","triaqua(18-crown-6)gadolinium(III) hexacyanochromate(III) dihydrate","","- C18 H34 Cr Gd N6 O11 -","- C18 H34 Cr Gd N6 O11 -","- C36 H68 Cr2 Gd2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0418","0.0403","","","0.1068","0.1078","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016205","10.8604","0.0002","11.0724","0.0003","13.9909","0.0002","67.5857","0.001","70.587","0.0008","65.5666","0.0009","1385.2","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","triaqua(18-crown-6)gadolinium(III) hexacyanocobaltate(III) dihydrate","","- C18 H34 Co Gd N6 O11 -","- C18 H34 Co Gd N6 O11 -","- C36 H68 Co2 Gd2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0218","0.0197","","","0.046","0.0466","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016206","13.1084","0.001","5.6177","0.0002","17.6911","0.0013","90","","113.566","0.007","90","","1194.11","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzylmethylammonium hydrogen maleate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","GZ3098","Santacruz, Lynay; Abonia, Rodrigo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in benzylmethylammonium hydrogen maleate","Acta Crystallographica Section C","2007","63","10","o585","o587","10.1107/S0108270107040450","","","0.71073","Mo-Kα","","0.0925","0.047","","","0.1061","0.133","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016207","5.877","0.004","14.939","0.003","32.128","0.005","90","","95.04","0.02","90","","2810","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TACN-3Ts","1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane","","- C27 H33 N3 O6 S3 -","- C27 H33 N3 O6 S3 -","- C108 H132 N12 O24 S12 -","4","1","HJ3048","André, Vânia; Barroso, Sónia; Martins, Ana M.; Duarte, M. Teresa","A new conformer of 1,4,7-tris(<i>p</i>-tolylsulfonyl)-1,4,7-triazacyclononane","Acta Crystallographica Section C","2007","63","10","o594","o596","10.1107/S010827010703805X","","","0.71069","MoKα","","0.1188","0.0643","","","0.1229","0.1406","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016208","7.9585","0.0001","16.8134","0.0004","21.622","0.0005","90","","90","","90","","2893.23","0.1","120","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[bis(nitrato-κ^2^O,O')copper(II)]-μ-propane-1,3- diylbis(diphenylphosphine oxide)-κ<i>O</i>:<i>O'</i>]","","- C27 H26 Cu N2 O8 P2 -","- C27 H26 Cu N2 O8 P2 -","- C108 H104 Cu4 N8 O32 P8 -","4","0.5","HJ3050","Platt, Andrew W. G.; Lees, Anthony M. J.","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-propane-1,3-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2007","63","10","m433","m435","10.1107/S0108270107038711","","","0.71073","MoKα","","","0.0383","","","","0.082","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016209","6.8022","0.0004","6.8022","0.0004","12.3759","0.0007","90","","90","","90","","572.63","0.06","295","2","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","yttrium pyrogermanate","diyttrium digermanate","","- Ge2 O7 Y2 -","- Ge2 O7 Y2 -","- Ge8 O28 Y8 -","4","0.5","IZ3026","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Yttrium pyrogermanate, Y~2~Ge~2~O~7~","Acta Crystallographica Section C","2007","63","10","i93","i95","10.1107/S0108270107042825","","","0.71073","MoKα","","","0.0203","","","","0.0512","","","","","","1.193","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016210","7.7618","0.0014","9.688","0.002","17.707","0.003","90","","90","","90","","1331.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-diamino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-bromo-7H- pyrrolo[2,3-d]pyrimidine","","- C11 H13 Br F N5 O3 -","- C11 H13 Br F N5 O3 -","- C44 H52 Br4 F4 N20 O12 -","4","1","SF3039","Seela, Frank; Ding, Ping; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","The 7-bromo derivative of 2-amino-2'-deoxytubercidin fluorinated at the sugar moiety","Acta Crystallographica Section C","2007","63","10","o600","o602","10.1107/S0108270107027138","","","0.71073","MoKα","","0.052","0.0396","","","0.0986","0.1058","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016211","7.4534","0.0007","9.0663","0.0008","10.6966","0.0009","90","","90","","90","","722.82","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-β-D-glucopyranose","3-deoxy-β-D-ribo-hexopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SF3042","Zhang, Wenhui; Noll, Bruce C.; Serianni, Anthony S.","3-Deoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose (3-deoxy-β-<small>D</small>-glucopyranose)","Acta Crystallographica Section C","2007","63","10","o578","o581","10.1107/S0108270107038553","","","1.54178","CuKα","","0.0259","0.0256","","","0.0681","0.0685","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016212","14.8006","0.001","15.1969","0.001","18.1644","0.0012","79.708","0.002","67.589","0.002","71.879","0.002","3581.3","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","2,5-Bis(dimethylamino)-2,3,5,6-tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate","","- C38.67 H32.67 B4 F24 N2 O6.67 -","- C38.6667 H32.6667 B4 F24 N2 O6.66667 -","- C116 H98 B12 F72 N6 O20 -","3","1.5","SF3048","Clegg, William; Marder, Todd B.; Nlate, Sylvain; Scott, Andrew J.","2,3,5,6-Tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,5-bis(dimethylamino)2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate","Acta Crystallographica Section C","2007","63","10","o603","o605","10.1107/S010827010703569X","","","0.71073","MoKα","","0.123","0.0692","","","0.1751","0.2036","","","","","","0.925","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016213","12.8094","0.0008","12.8094","0.0008","10.7854","0.0013","90","","90","","120","","1532.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","cis,cis-cyclohexane-1,3,5-tricarboxamide","cis,cis-cyclohexane-1,3,5-tricarboxamide","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C54 H90 N18 O18 -","6","0.333333","SF3051","Binoy K. Saha","Hexagonal packing of <i>cis</i>,<i>cis</i>-cyclohexane-1,3,5-tricarboxamide","Acta Crystallographica Section C","2007","63","10","o591","o593","10.1107/S0108270107040048","","","0.71073","MoKα","","0.0389","0.0345","","","0.0949","0.0983","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016214","7.4161","0.0002","21.674","0.0006","9.0312","0.0003","90","","108.233","0.006","90","","1378.76","0.08","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C48 H32 N24 O8 S8 -","4","1","SF3052","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2007","63","10","o606","o608","10.1107/S010827010704142X","","","0.71073","MoKα","","","0.0497","","","","0.1387","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016215","21.347","0.004","14.852","0.003","25.087","0.005","90","","90","","90","","7954","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Aqua-2κO-μ-{N,N'-bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^N,N')- copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C276 H320 Cl16 Cu8 N64 Ni8 O92 -","8","1","SF3053","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Liu, Jin-Liang","Aqua-2κ<i>O</i>-μ-{<i>N</i>,<i>N</i>'-bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","Acta Crystallographica Section C","2007","63","10","m462","m464","10.1107/S0108270107042643","","","0.71073","MoKα","","0.0991","0.0503","","","0.1345","0.1855","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","194546","2020-10-21","18:00:00",""
"2016216","7.9252","0.0009","9.2783","0.001","9.4118","0.001","62.192","0.002","73.725","0.002","69.787","0.002","568.51","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis-μ-3, 3'-bis(2-methylimidazol-1-yl)methyl]dinitratocadmium(II)]","","- C18 H24 Cd N10 O6 -","- C18 H24 Cd N10 O6 -","- C18 H24 Cd N10 O6 -","1","0.5","SF3054","Jin, Chuan-Ming; Chen, Cai-Yuan; Wang, Wei-Dong; Wu, Ling-Yan","<i>catena</i>-Poly[[dinitratocadmium(II)]bis[μ-bis(2-methyl-1<i>H</i>-imidazol-1-yl)methane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]]","Acta Crystallographica Section C","2007","63","10","m454","m455","10.1107/S0108270107043454","","","0.71073","MoKα","","0.0357","0.0313","","","0.0667","0.068","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016217","13.117","0.0018","15.948","0.003","17.717","0.002","93.75","0.011","91.803","0.009","101.155","0.013","3624.7","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-<i>tert</i>-Butyl-7-(4-chlorophenyl)-10-phenyl-5,6-dihydro-10<i>H</i>- benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline","","- C30 H26 Cl N3 -","- C30 H26 Cl N3 -","- C180 H156 Cl6 N18 -","6","3","SK3154","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","8-<i>tert</i>-Butyl-7-(4-chlorophenyl)-10-phenyl-5,6-dihydro-10<i>H</i>-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section C","2007","63","10","o582","o584","10.1107/S0108270107041236","","","0.71073","MoKα","","0.1669","0.0655","","","0.155","0.2106","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016218","12.9514","0.0003","10.49","0.0002","15.2681","0.0005","90","","97.151","0.001","90","","2058.19","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1H-imidazole- κN^3^)(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","","- C22 H17 Mn N5 O5 -","- C22 H17 Mn N5 O5 -","- C88 H68 Mn4 N20 O20 -","4","1","SK3161","Ma, Cheng-Bing; Chen, Chang-Neng; Liu, Qiu-Tian","Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","2007","63","10","m469","m472","10.1107/S0108270107044976","","","0.71073","MoKα","","","0.049","","","0.109","0.1281","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016219","4.8087","0.0006","7.4678","0.001","9.5748","0.0011","101.734","0.013","93.643","0.014","105.869","0.011","321.22","0.08","120","2","150","2","","","","","","","","4","P -1","-P 1","2","Ammonium violurate","Ammonium violurate","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C8 H12 N8 O8 -","2","1","SK3165","Nichol, Gary S.; Clegg, William","Ammonium violurate: a compact structure with extensive hydrogen bonding in three dimensions","Acta Crystallographica Section C","2007","63","10","o609","o612","10.1107/S0108270107044241","","","0.71073","MoKα","","0.0794","0.0539","","","0.1189","0.1328","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016220","30.796","0.006","5.2836","0.0011","24.594","0.005","90","","122.87","0.03","90","","3361.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","lithium bismuth triphosphate","lithium haptabismuth triphosphorus nonadecaoxide","","- Bi58.94 Li8 O152 P24 -","- Bi58.944 Li8 O152 P24 -","- Bi58.944 Li8 O152 P24 -","1","0.125","SQ3091","Arumugam, Nachiappan; Lynch, Vincent; Steinfink, Hugo","A new pillared lithium bismuth phosphate, LiBi~7.37~P~3~O~19~, with elliptical channels","Acta Crystallographica Section C","2007","63","10","i86","i88","10.1107/S0108270107038772","","","0.71073","MoKα","","0.0493","0.0493","","","0.1337","0.1337","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016221","6.458","0.0002","18.0522","0.0005","7.5331","0.0003","90","","95.758","0.002","90","","873.79","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diaquatetrakis(urea)nickel(II) nitrate","Diaquatetrakis(urea-κO)nickel(II) dinitrate","","- C4 H20 N10 Ni O12 -","- C4 H20 N10 Ni O12 -","- C8 H40 N20 Ni2 O24 -","2","0.5","SQ3094","Krawczuk, Anna; Stadnicka, Katarzyna","Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co","Acta Crystallographica Section C","2007","63","10","m448","m450","10.1107/S0108270107040437","","","0.71073","MoKα","","0.0365","0.0289","","0.0716","","0.0766","","","1.036","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016222","6.4655","0.0002","17.9321","0.0005","7.6201","0.0002","90","","94.428","0.001","90","","880.84","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Diaquatetrakis(urea)cobalt(II) nitrate","Diaquatetrakis(urea-κO)cobalt(II) nitrate","","- C4 H20 Co N10 O12 -","- C4 H20 Co N10 O12 -","- C8 H40 Co2 N20 O24 -","2","0.5","SQ3094","Krawczuk, Anna; Stadnicka, Katarzyna","Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co","Acta Crystallographica Section C","2007","63","10","m448","m450","10.1107/S0108270107040437","","","0.71073","MoKα","","0.0462","0.0322","","","0.074","0.0815","","","1.038","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016223","10.1489","0.0011","19.2851","0.0016","10.1658","0.0011","90","","100.286","0.008","90","","1957.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetraphenyldiboroxane","oxybis(diphenylborane)","","- C24 H20 B2 O -","- C24 H20 B2 O -","- C96 H80 B8 O4 -","4","1","SQ3095","Kaufmann, Linda; Lerner, Hans-Wolfram; Bolte, Michael","A new polymorph of tetraphenyldiboroxane","Acta Crystallographica Section C","2007","63","10","o588","o590","10.1107/S0108270107041352","","","0.71073","MoKα","","0.1064","0.0515","","","0.0946","0.1106","","","","","","0.947","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016224","7.1447","0.0004","8.412","0.0005","12.3958","0.0007","80.285","0.001","74.434","0.001","82.718","0.001","704.78","0.07","299","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-aminopyrimidinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C12 H14 N2 O7 S -","- C12 H14 N2 O7 S -","- C24 H28 N4 O14 S2 -","2","1","AV3101","Meng, Xiang-Gao; Zhou, Chun-Shan; Wang, Li; Liu, Chang-Lin","Two salts of 5-sulfosalicylic acid and 3-aminopyridine","Acta Crystallographica Section C","2007","63","11","o667","o670","10.1107/S0108270107047270","","","0.71073","Mokα","","0.0517","0.0487","","","0.1425","0.1459","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016225","13.9642","0.001","12.8331","0.0009","15.7831","0.0011","90","","114.957","0.002","90","","2564.3","0.3","299","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-aminopyrimidinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H12 N2 O6 S -","- C12 H12 N2 O6 S -","- C96 H96 N16 O48 S8 -","8","2","AV3101","Meng, Xiang-Gao; Zhou, Chun-Shan; Wang, Li; Liu, Chang-Lin","Two salts of 5-sulfosalicylic acid and 3-aminopyridine","Acta Crystallographica Section C","2007","63","11","o667","o670","10.1107/S0108270107047270","","","0.71073","Mokα","","0.1065","0.0553","","","0.1365","0.1507","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016226","10.2082","0.0007","10.3481","0.0007","12.4101","0.0008","91.336","0.001","108.426","0.001","107.536","0.001","1175.71","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","μ-p-phenylenediamine-N,N,N',N'-tetraacetato- bis[aqua(1,10-phenanthroline)nickel(II)]","","- C38 H56 N6 Ni2 O22 -","- C38 H56 N6 Ni2 O22 -","- C38 H56 N6 Ni2 O22 -","1","0.5","AV3107","Zhang, Xiang-Dong; Ge, Chun-Hua; Yu, Fang; Liu, Qi-Tao; Zhu, Miao-Li","Formation of a one-dimensional water chain containing two linking patterns of planar water tetramers","Acta Crystallographica Section C","2007","63","11","m519","m521","10.1107/S0108270107047294","","","0.71073","MoKα","","0.0393","0.0331","","","0.0805","0.0833","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016227","12.603","0.003","18.014","0.003","14.658","0.004","90","","110.392","0.005","90","","3119.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[diaquabis(2,2-bipyridine N,N'-dioxide-<i>κ</i>^2^O,O')cobalt(II)] ξ-octamolybdate dihydrate","","- C40 H44 Co2 Mo8 N8 O40 -","- C40 H44 Co2 Mo8 N8 O40 -","- C80 H88 Co4 Mo16 N16 O80 -","2","0.5","BG3034","Tan Su; Ya-Qian Lan","Bis[diaquabis(2,2-bipyridine <i>N</i>,<i>N</i>'-dioxide-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)] {ξi}-octamolybdate dihydrate","Acta Crystallographica Section C","2007","63","11","m522","m524","10.1107/S0108270107018914","","","0.71069","MoKα","","0.0389","0.0275","","","0.0578","0.0619","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016228","7.8868","0.0013","11.106","0.0018","19.05","0.004","104.686","0.004","93.92","0.005","105.202","0.003","1541.3","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis[5-(4-pyridyl-κN)-2-(2-pyridylmethylsulfanyl)-1,3,4-\ oxadiazole]cadmium(II)]-diμ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C28 H20 Cd N10 O2 S4 -","- C28 H20 Cd N10 O2 S4 -","- C56 H40 Cd2 N20 O4 S8 -","2","1","BG3050","Ye, E; Wu, Ben-Lai; Niu, Yun-Yin; Zhang, Hong-Yun; Hou, Hong-Wei","<i>catena</i>-Poly[[bis[5-(4-pyridyl-κ<i>N</i>)-2-(2-pyridylmethylsulfanyl)-1,3,4-oxadiazole]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","11","m484","m486","10.1107/S0108270107046288","","","0.71073","MoKα","","0.0298","0.0234","","","0.0505","0.0536","","","","","","1.02","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2016229","24.7846","0.0016","13.2694","0.0008","18.9986","0.0013","90","","112.526","0.012","90","","5771.5","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua-bis(2,5-dihydroxybenzoato-κO)bis(1,10-phenanthroline-κ^2^N,N') strontium(II) bis(1,10-phenanthroline) tetrahydrate","","- C62 H54 N8 O14 Sr -","- C62 H54 N8 O14 Sr -","- C248 H216 N32 O56 Sr4 -","4","0.5","BG3052","Duan-Jun Xu; Qian Yang; Li-Jie Ma; Jing-Jing Nie","Diaquabis(2,5-dihydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II) bis(1,10-phenanthroline) tetrahydrate","Acta Crystallographica Section C","2007","63","11","m476","m478","10.1107/S0108270107043430","","","0.71075","MoKα","","0.089","0.043","","","0.094","0.137","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016230","7.2706","0.0005","24.278","0.0004","13.3668","0.0002","90","","100.708","0.004","90","","2318.36","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato-κ^4^O,O':O':O'')bis(μ~3~- hydroxido)bis(μ~2~-isonicotinato-κ^2^O:O')dierbium(III) monohydrate","","- C20 H18 Er2 N2 O12 -","- C20 H18 Er2 N2 O12 -","- C80 H72 Er8 N8 O48 -","4","1","BG3054","Guo-Ming Wang; Hai-Lan Huang; Hui Li; Qing-Hua Zheng","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)bis(μ~3~-hydroxido)bis(μ~2~-isonicotinato)dierbium(III) monohydrate] and the thulium analogue","Acta Crystallographica Section C","2007","63","11","m531","m533","10.1107/S0108270107047403","","","0.71073","MoKα","","0.0315","0.0294","","","0.066","0.0668","","","","","","1.187","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016231","7.2434","0.0002","24.218","0.0006","13.3606","0.0004","90","","100.7","0.003","90","","2302.97","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato-κ^4^O,O':O':O'')bis(μ~3~-\ hydroxido)bis(μ~2~-isonicotinato-κ^2^O:O')thulium(III) monohydrate","","- C20 H18 N2 O12 Tm2 -","- C20 H18 N2 O12 Tm2 -","- C80 H72 N8 O48 Tm8 -","4","1","BG3054","Guo-Ming Wang; Hai-Lan Huang; Hui Li; Qing-Hua Zheng","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)bis(μ~3~-hydroxido)bis(μ~2~-isonicotinato)dierbium(III) monohydrate] and the thulium analogue","Acta Crystallographica Section C","2007","63","11","m531","m533","10.1107/S0108270107047403","","","0.71073","MoKα","","0.0266","0.0252","","","0.0594","0.06","","","","","","1.173","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016232","15.693","0.003","7.0491","0.0014","9.752","0.002","90","","98.97","0.03","90","","1065.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[μ-aqua-dizinc(II)]-bis(μ~4~-naphthalene-1,8-dicarboxylato)]","","- C12 H8 O5 Zn -","- C12 H8 O5 Zn -","- C48 H32 O20 Zn4 -","4","1","BG3055","Wen, Yi-Hang; Feng, Xia; He, Yin-Hua; Lan, You-Zhao; Sun, Hong","Poly[μ-aqua-μ~4~-naphthalene-1,8-dicarboxylato-zinc(II)]","Acta Crystallographica Section C","2007","63","11","m504","m506","10.1107/S0108270107047130","","","0.71073","MoKα","","","0.0236","","","0.0588","0.0612","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016233","8.192","0.002","9.525","0.002","14.101","0.002","99.538","0.017","100.171","0.017","100.42","0.02","1042.7","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","Bendroflumethiazide acetone solvate","3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-\ sulfonamide 1,1-dioxide acetone solvate","","- C18 H20 F3 N3 O5 S2 -","- C18 H20 F3 N3 O5 S2 -","- C36 H40 F6 N6 O10 S4 -","2","1","BM3035","Fabbiani, Francesca P. A.; Leech, Charlotte K.; Shankland, Kenneth; Johnston, Andrea; Fernandes, Philippe; Florence, Alastair J.; Shankland, Norman","Hirshfeld surface analysis of two bendroflumethiazide solvates","Acta Crystallographica Section C","2007","63","11","o659","o663","10.1107/S0108270107044812","","","0.71073","MoKα","","0.0412","0.0328","","0.0788","0.0766","0.0788","","","","","","1.0096","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2016234","8.2527","0.0003","17.8431","0.0007","14.9012","0.0005","90","","103.752","0.004","90","","2131.36","0.14","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bendroflumethiazide N,N-dimethylformamide solvate","3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide N,N-dimethylformamide solvate","","- C18 H21 F3 N4 O5 S2 -","- C18 H21 F3 N4 O5 S2 -","- C72 H84 F12 N16 O20 S8 -","4","1","BM3035","Fabbiani, Francesca P. A.; Leech, Charlotte K.; Shankland, Kenneth; Johnston, Andrea; Fernandes, Philippe; Florence, Alastair J.; Shankland, Norman","Hirshfeld surface analysis of two bendroflumethiazide solvates","Acta Crystallographica Section C","2007","63","11","o659","o663","10.1107/S0108270107044812","","","0.71073","MoKα","","0.05","0.0396","","0.091","0.0863","0.091","","","","","","1.0127","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2016235","9.717","0.002","10.575","0.003","33.772","0.008","90","","90","","90","","3470.3","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-trichloro-N,N'-bis(4-methoxyphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 O2 -","- C16 H17 Cl3 N2 O2 -","- C128 H136 Cl24 N16 O16 -","8","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0612","0.0459","","","0.1005","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016236","6.0186","0.0006","8.0624","0.0008","33.082","0.003","90","","90","","90","","1605.3","0.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,2-trichloro-N,N'-bis(4-chlorophenyl)ethane-1,1-diamine","","- C14 H11 Cl5 N2 -","- C14 H11 Cl5 N2 -","- C56 H44 Cl20 N8 -","4","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0254","0.0243","","","0.0623","0.0632","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016237","14.04","0.003","19.903","0.004","17.721","0.004","90","","113.19","0.03","90","","4552","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","triaquahemiaquadi-μ~5~-acetato-tri-μ~4~-acetato-tri-μ~3~-acetato-tri-μ~2~- acetato-μ~2~-acetato-hexabarium(II)","","- C24 H43 Ba6 O27.5 -","- C24 H43 Ba6 O27.5 -","- C96 H172 Ba24 O110 -","4","1","BM3038","Gabriela Leyva; Griselda Polla; María Teresa Garland; Ricardo Baggio","[Ba~6~(C~2~H~3~O~2~)~12~(H~2~O)~3.5~], a new hydrate of barium acetate","Acta Crystallographica Section C","2007","63","11","m534","m536","10.1107/S0108270107048433","","","0.71073","MoKα","","0.0499","0.0402","","","0.0828","0.0867","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2016238","13.051","0.003","14.256","0.003","17.1","0.003","90","","112.19","0.03","90","","2945.9","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-dimethylpyrazol-1-yl-κN^2^)dithioacetato-κS](triphenylphosphine- κP)copper(I)","","- C30 H30 Cu N4 P S2 -","- C30 H30 Cu N4 P S2 -","- C120 H120 Cu4 N16 P4 S8 -","4","1","BM3041","Liu, Lei-Lei; Tang, Xiao-Yan; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dithioacetato-κ<i>S</i>](triphenylphosphine-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2007","63","11","m513","m515","10.1107/S0108270107046665","","","0.71073","MoKα","","0.0422","0.0317","","","0.0824","0.0893","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016239","19.31","0.008","8.342","0.004","13.16","0.006","90","","125.084","0.005","90","","1734.7","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Biquinoline-κ^2^N,N')bis(nitrato-κ^2^O,O')copper(II)","","- C18 H12 Cu N4 O6 -","- C18 H12 Cu N4 O6 -","- C72 H48 Cu4 N16 O24 -","4","0.5","DN3060","Yanko Moreno; Yimmy Salgado; María Teresa Garland; Ricardo Baggio","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2007","63","11","m487","m489","10.1107/S0108270107046513","","","0.71073","MoKα","","0.0977","0.0558","","","0.1349","0.1532","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016240","4.9739","0.0009","8.8459","0.0015","9.1479","0.0016","93.829","0.002","94.93","0.002","103.061","0.001","389.09","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","poly[bis(μ~5~-pyridine-2,6-dicarboxylato N-oxide)nickel(II)disilver(I)]","","- C14 H6 Ag2 N2 Ni O10 -","- C14 H6 Ag2 N2 Ni O10 -","- C14 H6 Ag2 N2 Ni O10 -","1","0.5","DN3061","Gui-Liang, Wang","A tetrahedrally coordinated Ag^I^ and Ni^II^ complex with a two-dimensional framework containing one-dimensional helical chains","Acta Crystallographica Section C","2007","63","11","m479","m480","10.1107/S0108270107044794","","","0.71073","MoKα","","0.0471","0.0451","","","0.0956","0.0968","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016241","7.896","0.004","14.899","0.004","31.516","0.008","90","","92.26","0.04","90","","3705","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methoxyethanolato)dimethyl(tetrahydrofuran-κO)aluminium(III)tetramanganese(II)","","- C18 H42 Al I5 Mn4 O9 -","- C18 H42 Al I5 Mn4 O9 -","- C72 H168 Al4 I20 Mn16 O36 -","4","1","DN3065","Lucjan B. Jerzykiewicz; Józef Utko; Piotr Sobota","A pentanuclear bimetallic complex of manganese(II) and aluminium(III) ions: tetra-μ~2~-iodido-iodidobis(μ~3~-2-methoxyethanolato)bis(μ~2~-2-methoxyethanolato)dimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)tetramanganese(II)","Acta Crystallographica Section C","2007","63","11","m501","m503","10.1107/S0108270107046896","","","0.71073","MoKα","","0.0545","0.0343","","","0.0755","0.0801","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016242","8.6278","0.0002","6.6525","0.0002","11.3284","0.0003","90","","111.658","0.001","90","","604.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1-chloro-2-methylpropenyl)-8-nitroquinoline","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.035","0.0287","","","0.078","0.0823","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016243","11.5578","0.0005","6.8987","0.0003","13.99","0.0006","90","","90","","90","","1115.48","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-(2-methylprop-1-enyl)-8-nitroquinoline","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","0.5","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.0462","0.0395","","","0.1173","0.1288","","","","","","1.093","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016244","7.45","0.0001","7.546","0.0001","10.6766","0.0002","90","","90","","90","","600.214","0.016","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Trisamarium molybdenum heptaoxide","","- Mo O7 Sm3 -","- Mo O7 Sm3 -","- Mo4 O28 Sm12 -","4","1","FA3110","Barrier, N.; Gall, P.; Gougeon, P.","Rare-earth site splitting in Sm~3~MoO~7~","Acta Crystallographica Section C","2007","63","11","i102","i104","10.1107/S0108270107045416","","","0.71069","MoKα","","0.0264","0.0216","","","0.0401","0.0419","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016245","9.3495","0.001","12.016","0.0013","12.8534","0.0014","84.498","0.002","70.535","0.002","68.632","0.002","1267.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-neodymium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 N4 Nd2 O20 -","- C44 H54 N4 Nd2 O20 -","- C44 H54 N4 Nd2 O20 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.04","0.0337","","","0.0766","0.0805","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016246","9.1731","0.0009","12.0358","0.0012","12.7221","0.0013","85.728","0.002","71.181","0.001","69.099","0.001","1240.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-erbium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 Er2 N4 O20 -","- C44 H54 Er2 N4 O20 -","- C44 H54 Er2 N4 O20 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.0437","0.038","","","0.0907","0.0948","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016247","9.1865","0.0013","12.0293","0.0017","12.7275","0.0018","85.71","0.002","71.079","0.002","69.175","0.002","1242.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-yttrium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 N4 O20 Y2 -","- C44 H54 N4 O20 Y2 -","- C44 H54 N4 O20 Y2 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.0641","0.0483","","","0.1096","0.117","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016248","9.7351","0.0008","14.3655","0.0014","17.9804","0.0012","90","","97.648","0.006","90","","2492.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[<i>N</i>-(4-nitrophenyl)thiobenzamidato]mercury(II)","","- C26 H18 Hg N4 O4 S2 -","- C26 H18 Hg N4 O4 S2 -","- C104 H72 Hg4 N16 O16 S8 -","4","1","FA3119","Habibi, Mohammad Hossein; Fallah Shojaie, Abdollah; Mokhtari, Reza; Brooks, Neil R.; Clegg, William","Bis[<i>N</i>-(4-nitrophenyl)thiobenzamidato]mercury(II)","Acta Crystallographica Section C","2007","63","11","m494","m495","10.1107/S010827010704694X","","","0.71073","MoKα","","0.0337","0.0238","","","0.0499","0.054","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016249","7.2667","0.0007","17.802","0.0014","10.8166","0.001","90","","113.706","0.007","90","","1281.2","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(3-hydroxybenzoato-κO^1^)bis(nicotinamide-κN^1^)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","0.5","FA3124","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali","<i>trans</i>-Diaquabis(3-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2007","63","11","m510","m512","10.1107/S0108270107047142","","","0.71073","MoKα","","0.0328","0.0286","","","0.079","0.0809","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016250","10.6016","0.0002","12.2791","0.0003","19.6827","0.0005","105.222","0.001","92.632","0.001","103.886","0.001","2383.82","0.1","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^O^1^,O^1'^:O^3^- [aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^O^1^:O^3^]","","- C56 H44 N4 O14 Zn2 -","- C56 H44 N4 O14 Zn2 -","- C112 H88 N8 O28 Zn4 -","2","1","FG3050","E Yang; Xu-Chun Song; Li-Hua Wang; You-Dan Lin","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^-[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section C","2007","63","11","m481","m483","10.1107/S0108270107046240","","","0.71073","MoKα","","0.1099","0.0798","","","0.1758","0.2002","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016251","6.8227","0.0002","13.4226","0.0004","17.5317","0.0005","90","","90","","90","","1605.52","0.08","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","","- C8 H22 Cl2 N2 Si3 -","- C8 H22 Cl2 N2 Si3 -","- C32 H88 Cl8 N8 Si12 -","4","0.5","GA3074","Böhme, Uwe; Bendrath, Franziska; Günther, Betty","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","Acta Crystallographica Section C","2007","63","11","o631","o632","10.1107/S0108270107045969","","","0.71073","MoKα","","0.0314","0.0253","","","0.0644","0.0683","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016252","7.4716","0.00011","8.7226","0.00012","30.2407","0.0005","90","","90","","90","","1970.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>, 17<i>R</i>,20<i>R</i>)-3-oxo-5β-24-norcholanic acid","","- C23 H36 O3 -","- C23 H36 O3 -","- C92 H144 O12 -","4","1","GA3075","Dufort, Marisa DeVita; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","3-Oxo-5β-24-norcholanic acid: acid-to-acid hydrogen-bonding catemers employing the rare <i>anti</i> carboxyl conformation in the aggregation of a steroid keto acid","Acta Crystallographica Section C","2007","63","11","o646","o649","10.1107/S0108270107047014","","","1.54178","CuKα","","0.056","0.04","","","0.095","0.101","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016253","20.59","0.002","9.5109","0.0008","10.64","0.002","90","","97.518","0.015","90","","2065.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidine‒3,3,3-triphenylpropanoic acid (1/1)","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","GD3144","Serafin, Mateusz F.; Wheeler, Kraig A.","2-Aminopyrimidine‒3,3,3-triphenylpropanoic acid (1/1)","Acta Crystallographica Section C","2007","63","11","o620","o621","10.1107/S0108270107045799","","","1.54178","CuKα","","0.0965","0.0566","","","0.1264","0.1485","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016254","16.2739","0.0005","9.6403","0.0003","13.5513","0.0004","90","","113.069","0.002","90","","1955.99","0.11","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pyridoxal-2-hydroxyethylimine","5-Hydroxymethyl-4-[(2-hydroxyethyl)iminomethyl]-2-methylpyridin-3-ol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","1","GD3146","Böhme, Uwe; Günther, Betty","4-[(2-Hydroxyethyl)iminomethyl]-5-hydroxymethyl-2-methylpyridin-3-ol","Acta Crystallographica Section C","2007","63","11","o641","o642","10.1107/S0108270107046574","","","0.71073","MoKα","","0.051","0.0378","","","0.1016","0.1086","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016255","10.695","0.002","22.718","0.004","13.516","0.002","90","","109.5","0.01","90","","3095.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrakis(1-naphthylamino)silane","","- C40 H32 N4 Si -","- C40 H32 N4 Si -","- C160 H128 N16 Si4 -","4","1","GD3147","Balakrishna, Maravanji S.; Chivers, Tristram; Parvez, Masood","Tetrakis(1-naphthylamino)silane and its tetrahydrofuran trisolvate","Acta Crystallographica Section C","2007","63","11","o617","o619","10.1107/S010827010704468X","","","0.71073","MoKα","","0.0702","0.045","","","0.1069","0.1216","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016256","21.048","0.007","14.672","0.007","15.16","0.009","90","","104.46","0.02","90","","4533","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1-naphthylamino)silane tetrahydrofuran trisolvate","","- C52 H56 N4 O3 Si -","- C52 H56 N4 O3 Si -","- C208 H224 N16 O12 Si4 -","4","1","GD3147","Balakrishna, Maravanji S.; Chivers, Tristram; Parvez, Masood","Tetrakis(1-naphthylamino)silane and its tetrahydrofuran trisolvate","Acta Crystallographica Section C","2007","63","11","o617","o619","10.1107/S010827010704468X","","","0.71073","MoKα","","0.2468","0.0782","","","0.1666","0.2303","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016257","11.029","0.0019","12.817","0.002","11.2083","0.0018","90","","90.173","0.013","90","","1584.4","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-chlorophenyl)-4-methylchromenium perchlorate","","- C16 H12 Cl2 O5 -","- C16 H12 Cl2 O5 -","- C64 H48 Cl8 O20 -","4","1","GZ3073","Alexander D. Roshal; Artur Sikorski; Vyacheslav N. Baumer; Alexander I. Novikov; Jerzy Błażejowski","Two polymorphs of 2-(4-chlorophenyl)-4-methylchromenium perchlorate","Acta Crystallographica Section C","2007","63","11","o626","o630","10.1107/S0108270107039558","","","0.71073","MoKα","","0.0422","0.0418","","","0.1255","0.1258","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016258","8.0631","0.0015","11.873","0.003","16.487","0.002","90","","93.292","0.014","90","","1575.7","0.5","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-4-methylchromenium perchlorate","","- C16 H12 Cl2 O5 -","- C16 H12 Cl2 O5 -","- C64 H48 Cl8 O20 -","4","1","GZ3073","Alexander D. Roshal; Artur Sikorski; Vyacheslav N. Baumer; Alexander I. Novikov; Jerzy Błażejowski","Two polymorphs of 2-(4-chlorophenyl)-4-methylchromenium perchlorate","Acta Crystallographica Section C","2007","63","11","o626","o630","10.1107/S0108270107039558","","","0.71073","MoKα","","0.056","0.049","","","0.1209","0.1234","","","","","","0.847","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016259","7.3808","0.0009","9.4538","0.001","10.3942","0.0009","90.971","0.012","101.554","0.014","104.252","0.016","687.03","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-6-methyl-1,3,5-triazin-1-ium chloride 2,4-diamino-6-methyl-1,3,5-triazine monohydrate","","- C8 H17 Cl N10 O -","- C8 H17 Cl N10 O -","- C16 H34 Cl2 N20 O2 -","2","1","GZ3095","Gustavo Portalone; Marcello Colapietro","Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate","Acta Crystallographica Section C","2007","63","11","o655","o658","10.1107/S0108270107046689","","","0.710689","MoKα","","0.0327","0.0319","","","0.0917","0.0923","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016260","9.4045","0.001","8.6089","0.0009","13.742","0.0012","90","","107.742","0.01","90","","1059.67","0.19","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","triaminopyrimidinediium dichloride dihydrate","","- C4 H13 Cl2 N5 O2 -","- C4 H13 Cl2 N5 O2 -","- C16 H52 Cl8 N20 O8 -","4","0.5","GZ3095","Gustavo Portalone; Marcello Colapietro","Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate","Acta Crystallographica Section C","2007","63","11","o655","o658","10.1107/S0108270107046689","","","0.710689","MoKα","","0.0238","0.0229","","","0.0697","0.0702","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016261","20.646","0.003","9.3893","0.0013","13.4869","0.0019","90","","128.152","0.003","90","","2055.9","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[dichloridoiron(II)]-μ-N,N'-bis(2-pyridylmethylene)benzene-\ 1,4-diamine] methanol solvate]","","- C20 H22 Cl2 Fe N4 O2 -","- C20 H22 Cl2 Fe N4 O2 -","- C80 H88 Cl8 Fe4 N16 O8 -","4","0.5","GZ3097","Collins, Sibrina N.; Krause, Jeanette A.; Regis, Morrisa; Ball, P. J.; Connick, William B.","Self-assembly of a one-dimensional iron(II) coordination polymer with <i>p</i>-phenylenebis(picolinaldimine)","Acta Crystallographica Section C","2007","63","11","m528","m530","10.1107/S0108270107040796","","","0.775","synchrotron","","0.0569","0.0448","","","0.1189","0.126","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016262","6.284","0.0005","6.705","0.0006","12.8302","0.0009","90","","90","","90","","540.59","0.08","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5-Formyluracil","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C20 H16 N8 O12 -","4","0.5","HJ3051","Gustavo Portalone; Marcello Colapietro","An unusual <i>syn</i> conformation of 5-formyluracil stabilized by supramolecular interactions","Acta Crystallographica Section C","2007","63","11","o650","o654","10.1107/S0108270107045659","","","0.71069","MoKα","","0.0436","0.0425","","","0.11","0.1117","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016263","17.2363","0.0005","8.5726","0.0002","8.8689","0.0002","90","","90","","90","","1310.47","0.06","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^O:O']]","","- C4 H20 Mn N4 O8 P2 -","- C4 H20 Mn N4 O8 P2 -","- C16 H80 Mn4 N16 O32 P8 -","4","0.5","HJ3053","Gaslain, Fabrice O. M.; Chippindale, Ann M.","<i>catena</i>-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^<i>O</i>:<i>O</i>']]: a one-dimensional manganese phosphate","Acta Crystallographica Section C","2007","63","11","m537","m540","10.1107/S0108270107048111","","","0.71073","MoKα","","0.0404","0.0262","","0.03","0.0261","0.0261","","","","","","1.0934","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016264","24.615","0.003","6.0114","0.0011","17.1066","0.0019","90","","106.702","0.01","90","","2424.5","0.6","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetrakis(2-pyridylmethyl)propane-1,3-diamine","","- C27 H30 N6 -","- C27 H30 N6 -","- C108 H120 N24 -","4","0.5","HJ3054","Mambanda, Allen; Jaganyi, Deogratius; Munro, Orde Q.","One-dimensional C—H···N hydrogen-bonded polymers in flexible tetrapyridyl systems","Acta Crystallographica Section C","2007","63","11","o676","o680","10.1107/S0108270107049293","","","0.71073","MoKα","","","0.041","","","","0.1114","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016265","6.1942","0.0003","9.2425","0.0003","11.6798","0.0005","101.756","0.003","96.953","0.004","106.289","0.004","616.96","0.05","100","2","","","","","","","","","","3","P -1","-P 1","2","","N,N,N',N'-tetrakis(2-pyridylmethyl)butane-1,4-diamine","","- C28 H32 N6 -","- C28 H32 N6 -","- C28 H32 N6 -","1","0.5","HJ3054","Mambanda, Allen; Jaganyi, Deogratius; Munro, Orde Q.","One-dimensional C—H···N hydrogen-bonded polymers in flexible tetrapyridyl systems","Acta Crystallographica Section C","2007","63","11","o676","o680","10.1107/S0108270107049293","","","0.71073","MoKα","","","0.0451","","","","0.1385","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016266","5.9055","0.0002","9.5369","0.0003","11.014","0.0003","90","","99.262","0.001","90","","612.22","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","calcium hexafluoroiridate (IV)","calcium hexafluoroiridate(IV) dihydrate","","- Ca F6 H4 Ir O2 -","- Ca F6 H4 Ir O2 -","- Ca4 F24 H16 Ir4 O8 -","4","1","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0226","0.0209","","","0.0553","0.0559","","","","","","1.245","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016267","6.0328","0.0002","9.8264","0.0004","11.2123","0.0005","90","","99.363","0.001","90","","655.82","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","strontium hexafluoroiridate (IV)","strontium hexafluoroiridate(IV) dihydrate","","- F6 H4 Ir O2 Sr -","- F6 H4 Ir O2 Sr -","- F24 H16 Ir4 O8 Sr4 -","4","1","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0212","0.0188","","","0.0524","0.0532","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016268","7.3965","0.0005","7.3965","0.0005","7.2826","0.0007","90","","90","","120","","345.04","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","barium hexafluoroiridate (IV)","barium hexafluoroiridate(IV)","","- Ba F6 Ir -","- Ba F6 Ir -","- Ba3 F18 Ir3 -","3","0.166667","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0236","0.0236","","","0.0659","0.0659","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016269","17.5731","0.0014","9.651","0.0008","22.7965","0.0019","90","","90","","90","","3866.2","0.5","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[4-(4-acetanilido-trans-1,3-butadienyl)-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene]propanedinitrile","2-{4-[4-(N-Formylanilino)-trans-1,3-butadienyl]-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene}propanedinitrile","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C176 H144 N32 O16 -","8","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.1147","0.0471","","","0.0882","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016270","12.704","0.0015","15.154","0.002","11.7651","0.0014","90","","107.44","0.007","90","","2160.9","0.5","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-[4-(6-acetanilido-trans,trans-1,3,5-hexatrienyl)-3-cyano-5,5-dimethyl-\ 2,5-dihydrofuranylidene]propanedinitrile","2,5-dihydrofuranylidene}propanedinitrile","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.2852","0.0667","","","0.1092","0.1694","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016271","8.278","0.0017","10.694","0.002","15.155","0.003","90","","99.86","0.03","90","","1321.8","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane","(Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon","","- C14 H19 N O2 Si -","- C14 H19 N O2 Si -","- C56 H76 N4 O8 Si4 -","4","1","JZ3090","Böhme, Uwe; Foehn, Ines C.","Two modifications of a five-coordinate silicon complex","Acta Crystallographica Section C","2007","63","11","o613","o616","10.1107/S0108270107045465","","","0.71073","MoKα","","0.0408","0.0354","","","0.0986","0.1021","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016272","9.5798","0.0004","9.9284","0.0005","13.7788","0.0006","90","","90","","90","","1310.53","0.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane","(Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon","","- C14 H19 N O2 Si -","- C14 H19 N O2 Si -","- C56 H76 N4 O8 Si4 -","4","1","JZ3090","Böhme, Uwe; Foehn, Ines C.","Two modifications of a five-coordinate silicon complex","Acta Crystallographica Section C","2007","63","11","o613","o616","10.1107/S0108270107045465","","","0.71073","MoKα","","0.0382","0.0336","","","0.084","0.0867","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016273","7.2946","0.001","8.2775","0.0013","22.4","0.003","95.949","0.006","99.41","0.008","90.099","0.006","1326.9","0.3","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-4,6-dimethoxy-3-(3-methylbutanoyl)benzaldehyde","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","2","JZ3095","Bats, Jan W.; Gerlach, Matthias; Reggelin, Michael; Köck, Matthias","2-Hydroxy-4,6-dimethoxy-3-(3-methylbutanoyl)benzaldehyde","Acta Crystallographica Section C","2007","63","11","o664","o666","10.1107/S0108270107048044","","","0.71073","MoKα","","0.1193","0.0507","","","0.1067","0.1314","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016274","9.816","0.002","10.026","0.003","11.09","0.002","87.53","0.03","75.49","0.02","76.41","0.03","1026.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Poly[tetrakis(2,2'-bipyridyl)di-μ~2~-oxido-hexaoxido-di-μ~3~-selenito- tetravanadium]","catena-Poly[[(2,2'-bipyridyl)oxidovanadium]-di-μ~2~-oxido-[(2,2'- bipyridyl)oxidovanadium]-μ~3~-selenito-bis[(2,2'-bipyridyl)dioxidovanadium]- μ~3~-selenito]","","- C20 H16 N4 O7 Se V2 -","- C20 H16 N4 O7 Se V2 -","- C40 H32 N8 O14 Se2 V4 -","2","1","LN3059","Zhao-Xun Lian; Ping Liu; Jia-Min Zhang; Tian-Xi Wang; Tian-Jun Lou","<i>catena</i>-Poly[[(2,2'-bipyridyl)oxidovanadium]-di-μ~2~-oxido-[(2,2'-bipyridyl)oxidovanadium]-μ~3~-selenito-bis[(2,2'-bipyridyl)dioxidovanadium]-μ~3~-selenito]","Acta Crystallographica Section C","2007","63","11","m525","m527","10.1107/S0108270107047683","","","0.71069","MoKα","","0.0274","0.0264","","","0.0853","0.0865","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016275","15.5815","0.0004","7.4458","0.0004","16.8575","0.0008","90","","116.408","0.004","90","","1751.67","0.15","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-amino-5-formyl-1,3-dimethyluracil monohydrate","6-amino-5-formyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione monohydrate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C56 H88 N24 O32 -","8","1","LN3062","de la Torre, José M.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120K: a polarized molecular structure and two interwoven hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","11","o638","o640","10.1107/S0108270107044563","","","0.71073","MoKα","","0.0779","0.0483","","","0.1183","0.1415","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016276","9.251","0.003","14.972","0.005","27.35","0.01","90","","98.791","0.006","90","","3744","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,9'-Biacridine N,N'-dioxide","","- C26 H16 N2 O2 -","- C26 H16 N2 O2 -","- C208 H128 N16 O16 -","8","1","LN3064","Chun-Sen Liu","9,9'-Biacridine <i>N</i>,<i>N</i>'-dioxide: a novel potential bridging ligand bearing the bulky acridine <i>N</i>-oxide skeleton","Acta Crystallographica Section C","2007","63","11","o673","o675","10.1107/S0108270107048019","","","0.71073","MoKα","","0.1624","0.061","","","0.1309","0.1831","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016277","7.6237","0.0001","11.9574","0.0002","9.5112","0.0003","90","","116.767","0.002","90","","774.13","0.03","183","","183","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis(azido-κN)bis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)nickel(II)","","- C12 H12 N10 Ni O2 -","- C12 H12 N10 Ni O2 -","- C24 H24 N20 Ni2 O4 -","2","0.5","LN3065","Đaković, Marijana; Popović, Zora","<i>trans</i>-Bis(azido-κ<i>N</i>)bis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)","Acta Crystallographica Section C","2007","63","11","m507","m509","10.1107/S0108270107047312","","","0.71073","MoKα","","0.0314","0.0272","","","0.0686","0.0727","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016278","11.09","0.002","13.293","0.002","18.989","0.003","90","","90.488","0.003","90","","2799.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[disilver(I)(Ag—Ag)]-bis[μ-1,1'-(butane-1,4-diyl)diimidazole- κ^2^<i>N</i>:<i>N</i>'] bis(perchlorate)]","","- C10 H14 Ag Cl N4 O4 -","- C10 H14 Ag Cl N4 O4 -","- C80 H112 Ag8 Cl8 N32 O32 -","8","1","LN3066","Yong-Fang Li; Zi-Hong Pan; Tian-Jun Lou","<i>catena</i>-Poly[[disilver(I)(<i>Ag{—</i>Ag})-bis[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] bis(perchlorate)]: a double helix stabilized by ligand-unsupported argentophilic interactions","Acta Crystallographica Section C","2007","63","11","m516","m518","10.1107/S0108270107048251","","","0.71073","MoKα","","0.0771","0.0486","","","0.1202","0.141","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016279","6.6739","0.0011","7.5697","0.0016","10.899","0.002","85.036","0.018","75.039","0.015","66.596","0.011","488.1","0.17","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","(4Z)-4-Amino-2-(4-hydroxyphenyl)-1H-imidazol-5(2H)-one oxime 3-oxide","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C18 H20 N8 O6 -","2","1","SF3047","Xue-Qin Cao; Zhan-Xiong Li; Guo-Qiang Chen; De-Chun Zhang","(5<i>Z</i>)-4-Amino-2-(4-hydroxyphenyl)-1<i>H</i>-imidazol-5(2<i>H</i>)-one oxime 3-oxide","Acta Crystallographica Section C","2007","63","11","o671","o672","10.1107/S0108270107040978","","","0.7107","MoKα","","0.0583","0.0456","","","0.0996","0.1076","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016280","6.8792","0.0004","7.6203","0.0005","8.0401","0.0005","102.281","0.002","104.125","0.001","101.422","0.001","385.23","0.04","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Poly[bis[aquaneodymium(III)]-μ~2~-oxalato-di-μ~4~-succinato]","","- C5 H6 Nd O7 -","- C5 H6 Nd O7 -","- C10 H12 Nd2 O14 -","2","1","SK3164","Chun-Xiang Wang; Zhi-Feng Li; Ping Wang","Poly[bis[aquaneodymium(III)]-μ~2~-oxalato-di-μ~4~-succinato]","Acta Crystallographica Section C","2007","63","11","m473","m475","10.1107/S0108270107045143","","","0.71073","MoKα","","0.0459","0.0448","","","0.1124","0.1129","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016281","8.6844","0.0006","10.7807","0.0019","10.8903","0.001","69.998","0.014","88.918","0.007","76.822","0.013","930.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-bis[N-methyl-N-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde","","- C21 H23 N5 O -","- C21 H23 N5 O -","- C42 H46 N10 O2 -","2","1","SK3170","Low, John N.; Trilleras, Jorge; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-4,6-bis[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde and hydrogen-bonded sheets in 2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","Acta Crystallographica Section C","2007","63","11","o681","o684","10.1107/S0108270107048809","","","0.71073","MoKα","","0.0956","0.0604","","","0.1338","0.1526","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016282","8.2846","0.0004","11.271","0.0004","15.0024","0.0007","108.983","0.004","95.403","0.004","101.908","0.003","1276.33","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","2","SK3170","Low, John N.; Trilleras, Jorge; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-4,6-bis[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde and hydrogen-bonded sheets in 2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","Acta Crystallographica Section C","2007","63","11","o681","o684","10.1107/S0108270107048809","","","0.71073","MoKα","","0.1012","0.0553","","","0.1318","0.1641","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016283","7.765","0.004","9.712","0.005","11.036","0.006","82.445","0.017","74.035","0.017","69.718","0.016","750","0.7","295","","295","","","","","","","","","5","P -1","-P 1","2","","Bis(μ~4~-butane-1,4-dithiolato)bis[hexacarbonyldiiron(II)(Fe—Fe)]","","- C20 H16 Fe4 O12 S4 -","- C20 H16 Fe4 O12 S4 -","- C20 H16 Fe4 O12 S4 -","1","0.5","SQ3090","Zhang, Yue; Si, You-Tao; Hu, Ming-Qiang; Chen, Chang-Neng; Liu, Qiu-Tian","Bis(μ~4~-butane-1,4-dithiolato)bis[hexacarbonyldiiron(II)(<i>Fe</i>—<i>Fe</i>)]","Acta Crystallographica Section C","2007","63","11","m499","m500","10.1107/S0108270107041674","","","0.71073","MoKα","","0.054","0.0371","","","0.0935","0.1061","","","","","","0.997","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2016284","9.3326","0.0009","10.098","0.0009","10.3272","0.0009","75.343","0.007","72.571","0.006","81.242","0.007","895.25","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis[2,3-bis(aminocarbonyl)-8,9-bis(methylsulfanyl)tetrathiafulvalenium] di-μ-bromido-bis[bromidocopper(II)]","","- C20 H20 Br4 Cu2 N4 O4 S12 -","- C20 H20 Br4 Cu2 N4 O4 S12 -","- C20 H20 Br4 Cu2 N4 O4 S12 -","1","0.5","SQ3096","Lu, Wen; Zhu, Qin-Yu; Zhang, Yong; Lin, Xiao-Min; Dai, Jie","A new tetrathiafulvalene‒diamide cation salt with [Cu~2~Br~4~]^2{-^} anions","Acta Crystallographica Section C","2007","63","11","m496","m498","10.1107/S0108270107042035","","","0.71073","MoKα","","0.0343","0.0275","","","0.0659","0.0698","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016285","9.3091","0.0003","9.3091","0.0003","10.9744","0.0004","90","","90","","90","","951.03","0.06","293","2","","","","","","","","","","5","P 41","P 4w","76","","Potassium indium niobium oxide phosphate","","- In0.459 K0.917 Nb0.541 O5 P -","- In0.45835 K0.9165 Nb0.54165 O5 P -","- In3.6668 K7.332 Nb4.3332 O40 P8 -","8","2","SQ3098","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Domasevitch, Konstantin V.","The complex phosphate K~0.92~In~0.46~Nb~0.54~OPO~4~: a new representative of the KTiOPO~4~ family","Acta Crystallographica Section C","2007","63","11","i105","i108","10.1107/S0108270107047129","","","0.71073","MoKα","","","0.0199","","","","0.0528","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016286","5.6636","0.0003","18.9255","0.0009","10.05","0.0005","90","","94.136","0.001","90","","1074.42","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-1-(4-Bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone","","- C12 H12 Br N O -","- C12 H12 Br N O -","- C48 H48 Br4 N4 O4 -","4","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0285","0.0239","","","0.0658","0.0682","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016287","6.9303","0.0002","7.628","0.0002","12.106","0.0003","99.844","0.002","99.545","0.001","102.189","0.002","602.64","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-1-(4-Bromophenyl)-2-(piperidin-2-ylidene)ethanone","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C26 H28 Br2 N2 O2 -","2","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0369","0.0266","","","0.073","0.1068","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016288","12.2867","0.0003","8.2416","0.0002","12.9404","0.0004","90","","100.702","0.002","90","","1287.58","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z)-2-(Azepan-2-ylidene)-1-(4-bromophenyl)ethanone","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C56 H64 Br4 N4 O4 -","4","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0369","0.0254","","","0.0624","0.0648","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016289","7.1918","0.0014","8.94","0.0018","15.792","0.003","103.81","0.03","94.01","0.03","106.51","0.03","934.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)piperazinium dihydrogen phosphate monohydrate","","- C16 H23 F N3 O8 P -","- C16 H23 F N3 O8 P -","- C32 H46 F2 N6 O16 P2 -","2","1","AV3114","Lou, Benyong; Boström, Dan; Velaga, Sitaram P","Monohydrous dihydrogen phosphate salts of norfloxacin and ciprofloxacin","Acta Crystallographica Section C","2007","63","12","o731","o733","10.1107/S0108270107053218","","","0.71073","MoKα","","0.0662","0.0482","","","0.1261","0.1458","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016290","7.2582","0.0015","8.9979","0.0018","15.712","0.003","100.93","0.03","96","0.03","105.74","0.03","956.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)piperazinium dihydrogen phosphate monohydrate","","- C17 H23 F N3 O8 P -","- C17 H23 F N3 O8 P -","- C34 H46 F2 N6 O16 P2 -","2","1","AV3114","Lou, Benyong; Boström, Dan; Velaga, Sitaram P","Monohydrous dihydrogen phosphate salts of norfloxacin and ciprofloxacin","Acta Crystallographica Section C","2007","63","12","o731","o733","10.1107/S0108270107053218","","","0.71073","MoKα","","0.0951","0.0749","","","0.2285","0.2417","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016291","7.2869","0.0017","5.9407","0.0014","36.805","0.008","90","","93.724","0.004","90","","1589.9","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-one","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C84 H60 F4 O8 -","4","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.055","0.0464","","","0.1217","0.1346","","","","","","1.212","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016292","8.164","0.005","10.036","0.006","11.136","0.007","97.362","0.01","101.898","0.009","108.731","0.009","826.7","0.9","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C21 H14 F2 O2 -","- C21 H14 F2 O2 -","- C42 H28 F4 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0696","0.0424","","","0.1047","0.1176","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016293","9.045","0.006","9.833","0.006","11.474","0.007","99.109","0.007","104.8","0.008","113.697","0.009","863.3","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(4-chlorophenyl)-3-(2-fluoro-4-phenoxyphenyl)prop-2-en-1-one","","- C21 H14 Cl F O2 -","- C21 H14 Cl F O2 -","- C42 H28 Cl2 F2 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0662","0.0453","","","0.1105","0.1341","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016294","9.196","0.005","9.726","0.005","11.554","0.007","98.887","0.009","104.304","0.009","113.754","0.008","878.1","0.9","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C44 H34 F2 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0614","0.0447","","","0.112","0.1242","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016295","9.645","0.004","10.111","0.005","10.537","0.006","66.706","0.007","65.347","0.008","80.949","0.009","857.8","0.7","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C22 H17 F O3 -","- C22 H17 F O3 -","- C44 H34 F2 O6 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0933","0.0519","","","0.0967","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016296","7.0758","0.0012","7.2954","0.0012","10.8601","0.0018","97.317","0.002","91.591","0.003","100.621","0.003","545.76","0.16","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^O^1^:O^2^:O^2'^]","","- C8 H9 N O9 Zn -","- C8 H9 N O9 Zn -","- C16 H18 N2 O18 Zn2 -","2","1","AV3117","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2'^]","Acta Crystallographica Section C","2007","63","12","m595","m597","10.1107/S0108270107054509","","","0.71073","MoKα","","0.0265","0.0232","","","0.0588","0.0605","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016297","10.6715","0.0005","5.9502","0.0003","22.987","0.0011","90","","100.953","0.005","90","","1433.03","0.12","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[(E)-2-(4-fluorophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 F N -","- C20 H14 F N -","- C80 H56 F4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0908","0.0379","","","0.0566","0.0603","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016298","14.319","0.0011","5.6943","0.0005","18.6247","0.0018","90","","102.73","0.007","90","","1481.3","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(E)-2-(4-chlorophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C80 H56 Cl4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0614","0.035","","","0.077","0.0803","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016299","14.5152","0.0005","5.6485","0.0002","18.826","0.0006","90","","103.605","0.003","90","","1500.22","0.09","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(E)-2-(4-bromophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 Br N -","- C20 H14 Br N -","- C80 H56 Br4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0425","0.0287","","","0.0645","0.0663","","","","","","1.076","","","","has coordinates,has Fobs","192309","2020-10-21","18:00:00",""
"2016300","23.411","0.004","10.409","0.002","13.722","0.003","90","","90","","90","","3343.8","1.1","295","3","295","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-\ κ^2^<i>N</i>,<i>N</i>')strontium(II)","","- C38 H30 N4 O8 Sr -","- C38 H30 N4 O8 Sr -","- C152 H120 N16 O32 Sr4 -","4","0.5","BG3058","Duan-Jun Xu; Bing-Yu Zhang; Jian-Rong Su; Jing-Jing Nie","Intramolecular π‒π stacking in diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II)","Acta Crystallographica Section C","2007","63","12","m622","m624","10.1107/S0108270107050597","","","0.71069","MoKα","","0.078","0.054","","","0.104","0.113","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016301","14.43","0.002","9.4424","0.0008","14.725","0.002","90","","118.864","0.011","90","","1757.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromidotetrakis(1H-pyrazole-κN^3^)manganese(II)","","- C12 H16 Br2 Mn N8 -","- C12 H16 Br2 Mn N8 -","- C48 H64 Br8 Mn4 N32 -","4","0.5","BG3059","Ruth, Kai; Kunz, Kerstin; Lerner, Hans-Wolfram; Bolte, Michael","Setting ambiguity in <i>C</i>2/<i>c</i> with dibromidotetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II) as an example","Acta Crystallographica Section C","2007","63","12","m566","m569","10.1107/S0108270107052419","","","0.71073","MoKα","","0.0933","0.0658","","","0.1562","0.1686","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016302","10.885","0.007","7.247","0.004","14.885","0.007","90","","100.913","0.008","90","","1152.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(4-methoxybenzenethiolato-κS)oxido[2,2'-(3- phenylpropylimino)bis(ethanethiolato)-κ^3^S,N,S']technetium(V)","","- C21 H28 N O2 S3 Tc -","- C21 H28 N O2 S3 Tc -","- C42 H56 N2 O4 S6 Tc2 -","2","1","BG3060","Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch","Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)","Acta Crystallographica Section C","2007","63","12","m579","m582","10.1107/S0108270107052870","","","0.71073","MoKα","","0.089","0.0648","","","0.1343","0.1435","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016303","10.61","0.007","10.356","0.007","16.296","0.011","90","","90.574","0.015","90","","1790","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4-methoxybenzenethiolato-κS)oxido[2,2'-(propylimino)bis(ethanethiolato)- κ^3^S,N,S']technetium(V)","","- C14 H22 N O2 S3 Tc -","- C14 H22 N O2 S3 Tc -","- C56 H88 N4 O8 S12 Tc4 -","4","1","BG3060","Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch","Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)","Acta Crystallographica Section C","2007","63","12","m579","m582","10.1107/S0108270107052870","","","0.71073","MoKα","","0.1592","0.0617","","","0.0906","0.0954","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016304","20.8868","0.0006","6.00175","0.00018","17.3531","0.0005","90","","90","","90","","2175.34","0.11","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","BM3037","Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz","Hydrogen-bonded networks in 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","Acta Crystallographica Section C","2007","63","12","o720","o722","10.1107/S0108270107046975","","","0.71073","MoKα","","0.0315","0.0273","","","0.072","0.0733","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016305","8.245","0.002","10.962","0.003","11.008","0.003","98.391","0.007","100.819","0.008","107.349","0.007","910.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-methoxyethyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.0706","0.0427","","","0.0982","0.1109","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016306","8.248","0.003","11.184","0.004","11.394","0.004","63.646","0.007","73.836","0.008","79.069","0.007","901.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.07","0.0525","","","0.1352","0.148","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016307","7.8638","0.0007","19.4628","0.0018","11.0823","0.001","90","","99.963","0.002","90","","1670.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.0939","0.0466","","","0.0933","0.1108","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016308","7.3482","0.0011","35.825","0.004","7.8986","0.0012","90","","106.906","0.012","90","","1989.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')nickel(II)]-μ-\ 2,6-dipicolinato-κ^3^O^2^,O^6^:O^2'^]","","- C25 H13 N5 Ni O4 -","- C25 H13 N5 Ni O4 -","- C100 H52 N20 Ni4 O16 -","4","1","DN3067","Ma, Yi; Zhang, Li-Tian; Wang, Xiao-Fang; He, Yong-Ke; Han, Zheng-Bo","A one-dimensional nickel(II) coordination polymer containing 2,6-dipicolinate and dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine","Acta Crystallographica Section C","2007","63","12","m573","m575","10.1107/S0108270107053851","","","0.71073","MoKα","","0.0535","0.0401","","","0.1009","0.1111","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016309","8.0149","0.0007","9.2527","0.0008","9.5534","0.0008","103.031","0.001","106.938","0.001","106.303","0.001","612.98","0.09","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[(2,2-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di- μ-chlorido-cadmium(II)-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C11 H8 Cd Cl N3 S -","- C11 H8 Cd Cl N3 S -","- C22 H16 Cd2 Cl2 N6 S2 -","2","1","DN3068","Chen, Min; Chen, Xu-Dong; Du, Miao","An unusual chain cadmium(II) coordination polymer: <i>catena</i>-poly[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-chlorido-[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","12","m570","m572","10.1107/S0108270107052638","","","0.71073","MoKα","","0.0194","0.0178","","","0.0445","0.0451","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016310","12.9325","0.0017","6.7317","0.0009","17.018","0.002","90","","90","","90","","1481.5","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[diaquamanganese(II)]-μ~3~-2-oxo-4-oxido-1,2-dihydropyrimidine- 5-carboxylato-κ^4^O^4^,O^5^:O^2^:O^2^]","","- C5 H6 Mn N2 O6 -","- C5 H6 Mn N2 O6 -","- C40 H48 Mn8 N16 O48 -","8","1","DN3069","Chen, Zilu; Xing, Huihui; Liang, Fupei","Poly[[diaquamanganese(II)]-μ~3~-4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^4^<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^2^:<i>O</i>^2^]","Acta Crystallographica Section C","2007","63","12","m576","m578","10.1107/S0108270107053875","","","0.71073","MoKα","","0.0301","0.0239","","","0.059","0.0625","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016311","8.6811","0.0004","9.5627","0.0004","12.1914","0.0006","90","","90","","90","","1012.07","0.08","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Trirubidium diyttrium triborate","","- B3 O9 Rb3 Y2 -","- B3 O9 Rb3 Y2 -","- B12 O36 Rb12 Y8 -","4","1","FA3116","Gao, J. H.; Li, R. K.","Rb~3~Y~2~(BO~3~)~3~ with a noncentrosymmetric structure","Acta Crystallographica Section C","2007","63","12","i112","i114","10.1107/S0108270107054078","","","0.7107","MoKα","","0.0547","0.048","","","0.0764","0.0791","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016312","6.987","0.002","8.645","0.002","10.567","0.003","105.48","0.02","97.08","0.02","110.28","0.03","560.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-\ olato)cadmium(II) dihydrate","","- C16 H14 Cd N8 O10 -","- C16 H14 Cd N8 O10 -","- C16 H14 Cd N8 O10 -","1","0.5","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","0.71073","MoKα","","0.0339","0.0299","","","0.0696","0.0713","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016313","6.9511","0.001","8.4052","0.0012","11.3293","0.0016","84.61","0.02","72.523","0.01","88.34","0.01","628.57","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-\ olato)cadmium(II) 1,4-dioxane solvate","","- C20 H18 Cd N8 O10 -","- C20 H18 Cd N8 O10 -","- C20 H18 Cd N8 O10 -","1","0.5","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","0.71073","MoKα","","0.0813","0.0525","","","0.1017","0.1141","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016314","18.3348","0.0012","19.964","0.0015","13.5231","0.0011","90","","119.77","0.02","90","","4296.7","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[decaaqua-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H- pyrrol-2-olato-κ^2^N:N')bis(μ~2~-3-cyano-4-dicyanomethylene-3H-pyrrole- 2,5-diolate-κ^2^N:N')dicadmium] 0.5-hydrate]","","- C32 H23 Cd3 N16 O18.5 -","- C64 H44 Cd6 N32 O37 -","- C128 H88 Cd12 N64 O74 -","2","0.25","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","1.54184","CuKα","","0.0524","0.0432","","","0.1129","0.1184","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016315","13.125","0.003","11.332","0.002","10.185","0.002","90","","117.91","0.03","90","","1338.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","bis(μ-tetramethyldistibine)bis(tetracarbonylchromium)","1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-cyclo-2,3,5,6- tetraantimony-1,4-dichromium","","- C16 H24 Cr2 O8 Sb4 -","- C16 H24 Cr2 O8 Sb4 -","- C32 H48 Cr4 O16 Sb8 -","2","0.25","GA3072","Breunig, Hans Joachim; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I.","1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-<i>cyclo</i>-2,3,5,6-tetraantimony-1,4-dichromium","Acta Crystallographica Section C","2007","63","12","m548","m549","10.1107/S0108270107049943","","","0.71073","MoKα","","0.0313","0.0237","","","0.0534","0.0559","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016316","9.1632","0.0009","9.2131","0.0009","11.5904","0.0011","94.709","0.002","92.486","0.002","102.912","0.002","948.6","0.16","291","2","296","2","","","","","","","","3","P -1","-P 1","2","(1R*,2S*,3S*,8S*)-2,3-di(acetyloxy)-8-[(acetyloxy)methyl]cyclooctyl acetate","(1S*,2R*,3S*,4S*)-2,3,4-triacetoxycyclooctan-1-ylmethyl acetate","","- C17 H26 O8 -","- C17 H26 O8 -","- C34 H52 O16 -","2","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.0569","0.048","","","0.13","0.1358","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016317","19.206","0.012","26.611","0.017","7.748","0.005","90","","90","","90","","3960","4","291","2","291","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","(3aS*,4S*,5S*,9R*,9aS*)-4-(acetyloxy)-9-[(acetyloxy)methyl]-2,2-dimethyl perhydrocycloocta[d][1,3]dioxol-5-yl acetate","(3aS*,4R*,8S*,9S*,9aS*)-8,9-diacetoxy-2,2-dimethylcyclooctano[d][1,3]dioxan- 4-ylmethyl acetate","","- C18 H28 O8 -","- C18 H28 O8 -","- C144 H224 O64 -","8","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.0604","0.0424","","","0.1036","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016318","7.7179","0.0016","11.486","0.002","11.72","0.002","76.515","0.004","74.547","0.004","85.394","0.004","973.6","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","(3aS,4R,6S,9R,9aS)-4-(acetyloxy)-9-[(acetyloxy)methyl]-2,2-dimethylperhydro cycloocta[d][1,3]dioxol-6-yl acetate","(3aS,4R,7S,9R,9aS)- 7,9-diacetoxy-2,2-dimethylcyclooctano[d][1,3]dioxan-4-ylmethyl acetate","","- C18 H28 O8 -","- C18 H28 O8 -","- C36 H56 O16 -","2","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.1205","0.0552","","","0.1107","0.1322","","","","","","0.887","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016319","5.9774","0.0014","10.484","0.003","16.896","0.004","90","","90.762","0.004","90","","1058.7","0.5","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S)-5-(3-fluoro-4-phenoxyphenyl)-1,3-biphenyl-4,5-dihydro-1H-pyrazole","","- C27 H21 F N2 O -","- C27 H21 F N2 O -","- C54 H42 F2 N4 O2 -","2","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKa","","0.0468","0.0382","","","0.0842","0.0874","","","","","","1.263","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016320","17.728","0.003","11.0132","0.0017","11.2709","0.0017","90","","95.729","0.003","90","","2189.6","0.6","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5S)-3-(4-chlorophenyl)-5-(3-fluoro-4-phenoxyphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C27 H20 Cl F N2 O -","- C27 H20 Cl F N2 O -","- C108 H80 Cl4 F4 N8 O4 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKa","","0.1486","0.0708","","","0.112","0.1347","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016321","17.742","0.006","11.099","0.004","11.187","0.004","90","","95.293","0.006","90","","2193.5","1.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R)-5-(3-fluoro-4-phenoxyphenyl)-3-(4-methylphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C28 H23 F N2 O -","- C28 H23 F N2 O -","- C112 H92 F4 N8 O4 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKα","","0.0895","0.0502","","","0.1013","0.1155","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016322","20.274","0.004","5.7588","0.0012","21.241","0.004","90","","116.438","0.004","90","","2220.6","0.8","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5S)-5-(3-fluoro-4-phenoxyphenyl)-3-(4-methoxyphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C28 H23 F N2 O2 -","- C28 H23 F N2 O2 -","- C112 H92 F4 N8 O8 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKα","","0.098","0.076","","","0.1123","0.1348","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016323","10.5303","0.0019","8.0531","0.0013","16.977","0.003","90","","95.435","0.007","90","","1433.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichloridobis(2-methoxypyridine-κN)copper(II)","","- C12 H14 Cl2 Cu N2 O2 -","- C12 H14 Cl2 Cu N2 O2 -","- C48 H56 Cl8 Cu4 N8 O8 -","4","1","GD3150","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","In search of conformationally chiral square-planar complexes: dichloridobis(2-methoxypyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2007","63","12","m550","m552","10.1107/S0108270107048706","","","0.71073","MoKα","","0.026","0.0228","","","0.0592","0.06","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016324","15.0911","0.0014","8.889","0.0008","16.0727","0.0015","90","","116.536","0.002","90","","1928.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-(N-hydroxypyridine-2-carboxamidine)-μ~2~-nitrato-silver(I)]","","- C6 H7 Ag N4 O4 -","- C6 H7 Ag N4 O4 -","- C48 H56 Ag8 N32 O32 -","8","1","GD3152","Ai-Li Cui; Han, Peng; Yang, Hui-Juan; Wang, Ru-Ji; Kou, Hui-Zhong","Poly[μ~2~-(<i>N</i>-hydroxypyridine-2-carboxamidine)-μ~2~-nitrato-silver(I)]","Acta Crystallographica Section C","2007","63","12","m560","m562","10.1107/S0108270107051293","","","0.71073","MoKα","","0.0386","0.0319","","","0.0625","0.0646","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016325","14.886","0.003","23.19","0.004","7.0638","0.0014","90","","90","","90","","2438.5","0.8","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(E)-N'-[5-Chloro-3-methoxy-2-(4- methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate","","- C23 H22 Cl N3 O7 S -","- C23 H22 Cl N3 O7 S -","- C92 H88 Cl4 N12 O28 S4 -","4","1","GD3153","Diao, Chun-Hua; Fan, Zhi; Chen, Xin","(<i>E</i>)-<i>N</i>'-[5-Chloro-3-methoxy-2-(4-methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate: hydrogen-bonded network of alternating <i>R</i>^4^~4~(42), <i>R</i>^5^~5~(33) and <i>R</i>^6^~6~(40) rings","Acta Crystallographica Section C","2007","63","12","o717","o719","10.1107/S010827010705281X","","","0.71073","MoKα","","0.1085","0.0476","","","0.0774","0.0924","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016326","9.6438","0.001","9.6656","0.0011","10.3316","0.0011","85.068","0.009","63.887","0.01","77.155","0.009","843.02","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","trans-(±)-Diethyl N,N'-(1,2-cyclohexane-1,2-diyl)bis(2-thiooxamate)","","- C14 H22 N2 O4 S2 -","- C14 H22 N2 O4 S2 -","- C28 H44 N4 O8 S4 -","2","1","GD3156","Piotrkowska, Barbara; Połoński, Tadeusz; Gdaniec, Maria","Supramolecular structures of bis-thionooxalamic acid esters derived from (±)-cyclohexane-1,2-diamine and (±)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","2007","63","12","o693","o696","10.1107/S0108270107049797","","","0.71073","MoKα","","0.0319","0.0272","","","0.0696","0.0717","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016327","9.2414","0.0004","21.7781","0.001","11.4322","0.0006","90","","100.273","0.004","90","","2263.96","0.19","110","0.2","110","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-<i>N,N'</i>-diethyl (1,2-diphenylethane-1,2-diyl)bis(2-thiooxamate)","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","GD3156","Piotrkowska, Barbara; Połoński, Tadeusz; Gdaniec, Maria","Supramolecular structures of bis-thionooxalamic acid esters derived from (±)-cyclohexane-1,2-diamine and (±)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","2007","63","12","o693","o696","10.1107/S0108270107049797","","","0.71073","MoKα","","0.0439","0.0319","","","0.0799","0.0835","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016328","15.9395","0.0007","6.2397","0.0002","10.6094","0.0006","90","","101.383","0.003","90","","1034.43","0.08","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato- κ^2^O:O']","","- C11 H10 Cu O4 -","- C11 H10 Cu O4 -","- C44 H40 Cu4 O16 -","4","1","GD3161","Chun-Sen Liu; Ze Chang; Jun-Jie Wang","<i>catena</i>-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato-κ^2^<i>O</i>:<i>O</i>']: effect of a bulky aromatic skeleton in self-assembly","Acta Crystallographica Section C","2007","63","12","m589","m591","10.1107/S0108270107054650","","","0.71073","MoKα","","0.0494","0.0358","","","0.0779","0.0844","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016329","7.0284","0.0002","7.3655","0.0002","11.4912","0.0004","86.829","0.002","78.746","0.003","65.357","0.003","530.07","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","tetraaqua-trans-bis(6-methylnicotinato-O)cobalt(II) tetrahydrate","tetraaqua-trans-bis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate","","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","1","0.5","GD3165","Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana","A new coordination mode of 6-methylnicotinic acid in <i>trans</i>-tetraaquabis(6-methylpyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate","Acta Crystallographica Section C","2007","63","12","m615","m617","10.1107/S0108270107056570","","","0.71073","MoKα","","0.0372","0.0339","","","0.086","0.0892","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016330","13.212","0.003","6.0975","0.0013","29.028","0.006","90","","101.764","0.003","90","","2289.4","0.9","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,9,16,19-tetraphenyl-5,15-distyryl-3,13,25,26-tetraoxa-2,12- diborapentacyclo[16.2.2.2^8,11^.1^2,5^.1^12,15^]hexacosa-1(20),7,10,17-tetraene","","- C60 H54 B2 O4 -","- C60 H54 B2 O4 -","- C120 H108 B4 O8 -","2","0.5","GG3111","De, Subhasis; Day, Cynthia S.; Welker, Mark E.","An unusual oligomerization/oxidation reaction of a 3-boron-substituted 1-phenylbuta-1,3-diene produces 6,9,16,19-tetraphenyl-5,15-distyryl-3,13,25,26-tetraoxa-2,12-diborapentacyclo[16.2.2.2^8,11^.1^2,5^.1^12,15^]hexacosa-1(20),7,10,17-tetraene","Acta Crystallographica Section C","2007","63","12","o729","o730","10.1107/S0108270107050986","","","0.71073","MoKα","","0.0946","0.0478","","","0.0949","0.1074","","","","","","0.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016331","13.5307","0.0012","9.8246","0.0009","16.0701","0.0014","90","","111.013","0.002","90","","1994.2","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[2-(Dimethylaminomethyl)phenyl]triselenide","","- C18 H24 N2 Se3 -","- C18 H24 N2 Se3 -","- C72 H96 N8 Se12 -","4","1","GG3121","Kulcsar, Monika; Silvestru, Anca; Cziple, Florentina","1,3-Bis[2-(dimethylaminomethyl)phenyl]triselenide","Acta Crystallographica Section C","2007","63","12","o701","o703","10.1107/S0108270107051591","","","0.71073","MoKα","","0.0519","0.0408","","","0.0803","0.0838","","","","","","1.141","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016332","26.262","0.003","7.1677","0.0007","10.3351","0.0008","90","","108.687","0.003","90","","1842.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lithium acetysalicylate hemihydrate","catena-Poly[[lithium(I)-μ~3~-acetylsalicylato] hemihydrate]","","- C9 H8 Li O4.5 -","- C9 H8 Li O4.5 -","- C72 H64 Li8 O36 -","8","1","GZ3111","Jean-Baptiste Arlin; Fiona Addison; Alan R. Kennedy","Lithium aspirinate hemihydrate","Acta Crystallographica Section C","2007","63","12","m563","m565","10.1107/S0108270107051104","","","0.71073","MoKα","","0.0752","0.0404","","","0.0836","0.0947","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016333","9.7644","0.0007","14.8595","0.0015","16.9586","0.0012","90","","90","","90","","2460.6","0.4","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2- (ethylsulfanylmethyl)ferrocene]palladium(II)","","- C25 H25 Cl2 Fe P Pd S -","- C25 H25 Cl2 Fe P Pd S -","- C100 H100 Cl8 Fe4 P4 Pd4 S4 -","4","1","HJ3055","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2-(ethylsulfanylmethyl)ferrocene]palladium(II)","Acta Crystallographica Section C","2007","63","12","m586","m588","10.1107/S0108270107052742","","","0.71073","MoKα","","0.0253","0.0236","","","0.0581","0.0587","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016334","7.4136","0.0001","23.4782","0.0003","10.3932","0.0002","90","","110.369","0.0006","90","","1695.9","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5- trimethoxyphenyl)acrylonitrile","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C80 H68 N4 O12 S4 -","4","1","HJ3056","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile","Acta Crystallographica Section C","2007","63","12","o743","o745","10.1107/S0108270107054959","","","0.71073","MoKα","","0.0722","0.0449","","","0.1135","0.1273","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016335","9.2958","0.0002","6.083","0.0001","27.2763","0.0007","90","","92.1871","0.001","90","","1541.25","0.06","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4- dimethoxyphenyl)acrylonitrile","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C76 H60 N4 O8 S4 -","4","1","HJ3056","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile","Acta Crystallographica Section C","2007","63","12","o743","o745","10.1107/S0108270107054959","","","0.71073","MoKα","","0.0895","0.0471","","","0.1106","0.1272","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016336","6.7083","0.0012","7.865","0.0014","28.811","0.005","90","","90","","90","","1520.1","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarbonitrile","","- C9 H3 N3 -","- C9 H3 N3 -","- C72 H24 N24 -","8","2","HJ3057","Jones, Peter G.; Hopf, Henning; Mlynek, Cornelia; Swaminathan, Vijay Narayanan","Weak C—H···N[tripleC hydrogen bonds in the structures of two poly(cyano)-substituted ring systems","Acta Crystallographica Section C","2007","63","12","o723","o725","10.1107/S0108270107052535","","","0.71073","MoKα","","0.0693","0.0539","","","0.1099","0.1151","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016337","7.0277","0.0006","15.1197","0.0014","14.3219","0.0014","90","","103.603","0.004","90","","1479.1","0.2","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2.2]paracyclophane-4,5,12,13-tetracarbonitrile","","- C20 H12 N4 -","- C20 H12 N4 -","- C80 H48 N16 -","4","1","HJ3057","Jones, Peter G.; Hopf, Henning; Mlynek, Cornelia; Swaminathan, Vijay Narayanan","Weak C—H···N[tripleC hydrogen bonds in the structures of two poly(cyano)-substituted ring systems","Acta Crystallographica Section C","2007","63","12","o723","o725","10.1107/S0108270107052535","","","0.71073","MoKα","","0.0608","0.043","","","0.1199","0.1298","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016338","14.4217","0.0015","9.5445","0.0013","15.6198","0.0019","90","","115.647","0.002","90","","1938.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","di-μ-chlorido-bis{[N,N'-bis(4-chlorobenzyl)propane-1,2- diamine]chloridocopper(II)}","","- C34 H40 Cl8 Cu2 N4 -","- C34 H40 Cl8 Cu2 N4 -","- C68 H80 Cl16 Cu4 N8 -","2","0.5","HJ3060","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi; Liu, Yu-Fen","The dinuclear copper(II) complexes di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(4-chlorobenzyl)propane-1,2-diamine]chloridocopper(II)} and di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,2-diamine]chloridocopper(II)}","Acta Crystallographica Section C","2007","63","12","m610","m614","10.1107/S0108270107058519","","","0.71073","MoKα","","0.0551","0.0312","","","0.0684","0.082","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016339","12.2965","0.0013","11.0554","0.0012","15.822","0.002","90","","98.14","0.002","90","","2129.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","di-μ-chlorido-bis{[N,N'-bis(3,4-methylenedioxybenzyl)propane-1,2- diamine]chloridocopper(II)}","","- C19 H22 Cl2 Cu N2 O4 -","- C19 H22 Cl2 Cu N2 O4 -","- C76 H88 Cl8 Cu4 N8 O16 -","4","1","HJ3060","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi; Liu, Yu-Fen","The dinuclear copper(II) complexes di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(4-chlorobenzyl)propane-1,2-diamine]chloridocopper(II)} and di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,2-diamine]chloridocopper(II)}","Acta Crystallographica Section C","2007","63","12","m610","m614","10.1107/S0108270107058519","","","0.71073","MoKα","","0.1491","0.0632","","","0.1478","0.2165","","","","","","1.136","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2016340","16.087","0.003","5.2965","0.001","23.022","0.004","90","","90","","90","","1961.6","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","Bi5 O7 Br","pentabismuth heptoxide bromide","","- Bi5 Br O7 -","- Bi5 Br O7 -","- Bi40 Br8 O56 -","8","","IZ3029","Keller, E.; Krämer, V.","Bi~5~O~7~Br and its structural relation to α-Bi~5~O~7~I","Acta Crystallographica Section C","2007","63","12","i109","i111","10.1107/S0108270107049025","","","0.71073","MoKα","","0.0884","0.0484","","","0.0858","0.0944","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016341","9.5416","0.0004","11.3992","0.0005","10.7465","0.0004","120.472","0.002","92.47","0.002","55.531","0.002","780.08","0.07","293","2","293","2","","","","","","","Chapacase mine, Sierra Cerillos district, Tocopilla, Chile","6","P -1","-P 1","2","Iranite","copper decalead hexachromate bis(orthosilicate) dihydroxide","Iranite","- Cr6 Cu H2 O34 Pb10 Si2 -","- Cr6 Cu O34 Pb10 Si2 -","- Cr6 Cu O34 Pb10 Si2 -","1","0.5","IZ3032","Yang, Hexiong; Sano, Jennifer L.; Eichler, Carla; Downs, Robert T.; Costin, Gelu","Iranite, CuPb~10~(CrO~4~)~6~(SiO~4~)~2~(OH)~2~, isomorphous with hemihedrite","Acta Crystallographica Section C","2007","63","12","i122","i124","10.1107/S0108270107053449","","","0.71073","MoKα","","0.0496","0.0341","","","0.0621","0.0698","","","","","","1.013","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016342","12.265","0.001","13.197","0.001","9.7385","0.0009","90","","108.63","0.01","90","","1493.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Ferrous iron hydroxide phosphate","diiron(II) phosphate hydroxide","","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","IZ3034","Hatert, Frédéric","Fe^II^~2~(PO~4~)(OH), a synthetic analogue of wolfeite","Acta Crystallographica Section C","2007","63","12","i119","i121","10.1107/S0108270107053462","","","0.71073","MoKα","","0.081","0.03","","","0.0573","0.0652","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016343","9.0914","0.0009","12.6225","0.0009","18.5025","0.0017","90","","94.576","0.008","90","","2116.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9H-fluorene- 9,3'-1H-indazole]-1'-carbonitrile","","- C27 H22 Cl N3 -","- C27 H22 Cl N3 -","- C108 H88 Cl4 N12 -","4","1","LN3061","Bilewicz, Elżbieta; Małecka, Magdalena; Grabowski, Sławomir J.; Mlostoń, Grzegorz","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9<i>H</i>-fluorene-9,3'-1<i>H</i>-indazole]-1'-carbonitrile and methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9<i>H</i>-fluorene-9,3'-pyrazolidine]-4'-carboxylate","Acta Crystallographica Section C","2007","63","12","o739","o742","10.1107/S0108270107053619","","","0.71073","MoKα","","0.0617","0.036","","","0.0755","0.0814","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016344","11.1818","0.0005","13.2534","0.0004","28.1265","0.0011","90","","96.363","0.003","90","","4142.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9H-fluorene-9,3'-pyrazolidine]- 4'-carboxylate","","- C24 H17 Cl2 N3 O2 -","- C24 H17 Cl2 N3 O2 -","- C192 H136 Cl16 N24 O16 -","8","2","LN3061","Bilewicz, Elżbieta; Małecka, Magdalena; Grabowski, Sławomir J.; Mlostoń, Grzegorz","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9<i>H</i>-fluorene-9,3'-1<i>H</i>-indazole]-1'-carbonitrile and methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9<i>H</i>-fluorene-9,3'-pyrazolidine]-4'-carboxylate","Acta Crystallographica Section C","2007","63","12","o739","o742","10.1107/S0108270107053619","","","0.71073","MoKα","","0.0662","0.0356","","","0.0728","0.0791","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016345","6.6594","0.0001","9.5373","0.0002","13.6949","0.0003","73.832","0.002","86.714","0.002","75.399","0.002","808.34","0.03","183","","183","","","","","","","","","5","P -1","-P 1","2","","(Nitrato-κO)bis(pyridine-2-carboxamide-κ^2^<i>N</i>,<i>O</i>)mercury(II) nitrate","","- C12 H12 Hg N6 O8 -","- C12 H12 Hg N6 O8 -","- C24 H24 Hg2 N12 O16 -","2","1","LN3068","Đaković, Marijana; Popović, Zora","(Nitrato-κ<i>O</i>)bis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)mercury(II) nitrate","Acta Crystallographica Section C","2007","63","12","m557","m559","10.1107/S0108270107051566","","","0.71073","MoKα","","0.0192","0.0155","","","0.034","0.0348","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016346","7.6402","0.0015","11.775","0.002","26.927","0.005","90","","90","","90","","2422.4","0.8","153","2","153","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","[2.2.2](1,2,4)cyclophan-9-ene","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","LN3070","Broschinski, Klaus; Kannan, Arunachalam; Jones, Peter G.; Dix, Ina; Hopf, Henning","The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene","Acta Crystallographica Section C","2007","63","12","o711","o713","10.1107/S0108270107050937","","","0.71073","MoKα","","0.091","0.0543","","","0.1282","0.1501","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016347","6.2627","0.0009","8.6572","0.0008","27.943","0.002","90","","92.578","0.01","90","","1513.5","0.3","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(<i>E</i>)-(4-nitrophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","SF3059","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Two 9-[(<i>E</i>)-nitrophenylvinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o690","o692","10.1107/S0108270107049621","","","0.71073","MoKα","","0.092","0.0444","","","0.0989","0.1057","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016348","8.1085","0.0016","7.5179","0.0011","24.122","0.004","90","","90.507","0.014","90","","1470.4","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[(<i>E</i>)-(3-nitrophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","SF3059","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Two 9-[(<i>E</i>)-nitrophenylvinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o690","o692","10.1107/S0108270107049621","","","0.71073","MoKα","","0.1227","0.0463","","","0.074","0.0922","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016349","7.6382","0.0007","14.9272","0.0015","40.857","0.004","90","","90","","90","","4658.4","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyl N,N-bis[2-(pentafluoroanilino)ethyl]carbamate","","- C24 H17 F10 N3 O2 -","- C24 H17 F10 N3 O2 -","- C192 H136 F80 N24 O16 -","8","1","SF3060","Churakov, Andrei V.; Karlov, Sergey S.; Lermontova, Elmira Kh.; Zaitseva, Galina S.; Howard, Judith A. K.","Benzyl <i>N</i>,<i>N</i>-bis[2-(pentafluoroanilino)ethyl]carbamate","Acta Crystallographica Section C","2007","63","12","o761","o762","10.1107/S0108270107057939","","","0.71073","MoKα","","0.0722","0.0481","","","0.0947","0.1021","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016350","5.9278","0.0005","22.256","0.002","7.2456","0.0006","90","","113.393","0.002","90","","877.33","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(quinoxaline-2-carboxylato-κ^2^N^1^,O)copper(II)","","- C18 H14 Cu N4 O6 -","- C18 H14 Cu N4 O6 -","- C36 H28 Cu2 N8 O12 -","2","0.5","SF3062","Yue Feng; Gang Liu; Xiu-Mei Tian; Ji-De Wang","Diaquabis(quinoxaline-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","2007","63","12","m598","m600","10.1107/S0108270107053723","","","0.71073","MoKα","","0.0302","0.0288","","","0.0849","0.0862","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016351","7.582","0.002","17.482","0.005","18.731","0.005","90","","100.368","0.004","90","","2442.2","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(2-Pyridyl)benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(p-toluato- κ^2^<i>O</i>,<i>O'</i>)manganese(II)","","- C28 H23 Mn N3 O4 -","- C28 H23 Mn N3 O4 -","- C112 H92 Mn4 N12 O16 -","4","1","SK3169","Ma, Cheng-Bing; Chen, Chang-Neng; Liu, Qiu-Tian","[2-(2-Pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(<i>p</i>-toluato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2007","63","12","m618","m621","10.1107/S0108270107055023","","","0.71073","MoKα","","","0.0361","","","0.0975","0.1045","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016352","10.686","0.0012","7.1647","0.0014","14.4911","0.0012","90","","110.024","0.009","90","","1042.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-6-(methylanilino)pyrimidin-4(3H)-one","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","SK3172","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-6-(<i>N</i>-methylanilino)pyrimidin-4(3<i>H</i>)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(<i>N</i>-methylanilino)-5-nitropyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","12","o697","o700","10.1107/S0108270107049931","","","0.71073","MoKα","","0.0952","0.05","","","0.1129","0.1368","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016353","8.955","0.003","11.2165","0.0015","11.567","0.0015","90","","90","","90","","1161.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-6-(methylanilino)-5-nitropyrimidin-4(3H)-one","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","SK3172","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-6-(<i>N</i>-methylanilino)pyrimidin-4(3<i>H</i>)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(<i>N</i>-methylanilino)-5-nitropyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","12","o697","o700","10.1107/S0108270107049931","","","0.71073","MoKα","","0.1299","0.0544","","","0.1123","0.1378","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016354","8.1157","0.0016","7.8434","0.0016","16.723","0.003","90","","96.9","0.03","90","","1056.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-aminonaphthalene-1-sulfonic acid monohydrate","5-Ammonionaphthalene-1-sulfonate monohydrate","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C40 H44 N4 O16 S4 -","4","1","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.058","0.0421","","","0.1119","0.1196","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016355","8.3263","0.0003","22.8436","0.0007","7.494","0.0002","90","","90","","90","","1425.38","0.08","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquamanganese(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquamanagnese(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 Mn N2 O15 S2 -","- C20 H34 Mn N2 O15 S2 -","- C40 H68 Mn2 N4 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0284","0.0275","","","0.0736","0.074","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016356","8.1031","0.0006","22.9375","0.0018","7.4607","0.0006","90","","90","","90","","1386.68","0.19","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquanickel(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquanickel(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 N2 Ni O15 S2 -","- C20 H34 N2 Ni O15 S2 -","- C40 H68 N4 Ni2 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0267","0.0252","","","0.0585","0.0589","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016357","7.013","0.002","8.71","0.003","22.385","0.007","89.394","0.008","83.909","0.008","88.271","0.008","1359","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","hexaaquacobalt(II) 5-aminonaphthalene-1-sulfonate dihydrate","hexaaquacobalt(II) bis(5-aminonaphthalene-1-sulfonate) dihydrate","","- C20 H32 Co N2 O14 S2 -","- C20 H30 Co N2 O14 S2 -","- C40 H60 Co2 N4 O28 S4 -","2","1","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0661","0.0584","","","0.1461","0.1567","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016358","7.845","0.005","16.965","0.01","26.915","0.015","90","","97.896","0.009","90","","3548","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N,N'-(2-chlorobenzylidene)ethylenediamine-κ^2^N,N']copper(I) dichloridocuprate(I) acetonitrile solvate","","- C34 H31 Cl6 Cu2 N5 -","- C34 H31 Cl6 Cu2 N5 -","- C136 H124 Cl24 Cu8 N20 -","4","1","SK3174","Habibi, Mohammad Hossein; Montazerozohori, Morteza; Barati, Kazem; Harrington, Ross W.; Clegg, William","Bis[<i>N</i>,<i>N</i>'-(2-chlorobenzylidene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichloridocuprate(I) acetonitrile solvate","Acta Crystallographica Section C","2007","63","12","m592","m594","10.1107/S0108270107054960","","","0.8462","synchrotron","","0.113","0.0559","","","0.1106","0.127","","","","","","0.788","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016359","10.1975","0.0014","10.959","0.002","11.046","0.002","94.079","0.016","109.845","0.011","113.339","0.01","1035.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-{2-Amino-4-ethoxy-6-[<i>N</i>-(4-methoxyphenyl)-N- methylamino]pyrimidin-5-yl}-1-phenylprop-2-en-1-one","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C46 H48 N8 O6 -","2","1","SK3178","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-{2-Amino-4-ethoxy-6-[<i>N</i>-(4-methoxyphenyl)-<i>N</i>-methylamino]pyrimidin-5-yl}-1-phenylprop-2-en-1-one: a boat-shaped pyrimidine ring and a chain of hydrogen-bonded <i>R</i>^4^~2~(8) and <i>R</i>^2^~2~(20) rings","Acta Crystallographica Section C","2007","63","12","o758","o760","10.1107/S0108270107056569","","","0.71073","MoKα","","0.0836","0.047","","","0.0968","0.113","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016360","6.8534","0.0001","29.6631","0.0007","22.2107","0.0005","90","","94.408","0.001","90","","4501.93","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butobarbital","5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C160 H256 N32 O48 -","16","4","SK3179","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","A polymorph of butobarbital with two distinct hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","12","o751","o753","10.1107/S0108270107057174","","","0.71073","MoKα","","0.1231","0.0772","","","0.1237","0.1379","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016361","10.392","0.002","10.224","0.002","8.7073","0.0017","90","","109.43","0.03","90","","872.4","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","poly[triaquabis(dimethylformamide)di-μ~3~-oxalato-μ~2~-oxalato-\ dilanthanum(III)]","","- C9 H13 La2 N O16 -","- C9 H13 La2 N O16 -","- C18 H26 La4 N2 O32 -","2","0.5","SQ3099","Wang, Jingen; Huang, Xihe; Huang, Changcang; Song, Haiyan; Yang, Duoping","A new three-dimensional neutral framework of lanthanum oxalate: [La~2~(C~2~O~4~)~3~(DMF)(H~2~O)~3~]~<i>n~</i>","Acta Crystallographica Section C","2007","63","12","m583","m585","10.1107/S0108270107053292","","","0.71073","MoKα","","0.0303","0.0261","","","0.056","0.0579","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016362","5.7461","0.0002","5.7278","0.0002","4.0409","0.0003","90","","90.155","0.003","90","","132.996","0.012","4","","4","","","","","","","","","5","C 1 m 1","C -2y","8","PZN-8%PT","lead zinc niobium titanium trioxide","","- Nb0.61 O3 Pb Ti0.08 Zn0.31 -","- Nb0.61333 O3 Pb Ti0.08 Zn0.30666 -","- Nb1.22666 O6 Pb2 Ti0.16 Zn0.61332 -","2","0.5","SQ3101","Forrester, Jennifer S.; Kisi, Erich H.","Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K","Acta Crystallographica Section C","2007","63","12","i115","i118","10.1107/S0108270107050640","","neutron","","neutron","","","","","","","","","","1.28","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016363","28.547","0.006","7.4223","0.0015","23.822","0.005","90","","122.34","0.03","90","","4265","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{3-[4-(aminocarbonylmethyl)phenoxy]-2-hydroxypropyl)isopropylammonium 4-aminobenzoate monohydrate","","- C21 H31 N3 O6 -","- C21 H31 N3 O6 -","- C168 H248 N24 O48 -","8","1","SQ3104","Lou, Benyong; Boström, Dan; Velaga, Sitaram P.","Hydrogen-bonding interactions in the 4-aminobenzoic acid salt of atenolol monohydrate","Acta Crystallographica Section C","2007","63","12","o714","o716","10.1107/S0108270107051049","","","0.71073","MoKα","","0.0638","0.0482","","","0.1282","0.1379","","","","","","1.076","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016364","7.4255","0.0004","10.1954","0.0009","11.1581","0.0009","77.129","0.003","86.933","0.005","72.384","0.005","784.8","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^4^N:S;κ^4^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","1","0.5","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.0383","0.0313","","","0.0744","0.077","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016365","17.2484","0.0002","18.0383","0.0003","18.7816","0.0003","90","","90","","90","","5843.55","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^6^N:S;κ^2^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C224 H128 N32 Pd16 S64 -","8","1","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.047","0.0363","","","0.0882","0.0952","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016366","13.132","0.0003","12.2045","0.0003","17.2959","0.0005","90","","91.622","0.0014","90","","2770.89","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[2-(dimethylamino)ethylimino]butan-2-one oximato}dinickel(II) bis(perchlorate) acetonitrile solvate","","- C18 H35 Cl2 N7 Ni2 O10 -","- C18 H35 Cl2 N7 Ni2 O10 -","- C72 H140 Cl8 N28 Ni8 O40 -","4","1","TR3024","Bera, Manindranath; Noll, Bruce C.","Two new oximate-bridged square-planar dinuclear nickel(II) complexes","Acta Crystallographica Section C","2007","63","12","m553","m556","10.1107/S0108270107048937","","","0.71073","MoKα","","0.0437","0.0349","","","0.0894","0.0948","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016367","12.5432","0.0005","8.9714","0.0004","13.7277","0.0005","90","","93.745","0.002","90","","1541.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[2-(dimethylamino)ethylimino]-1-phenylpropan-2-one oximato}dinickel(II) bis(perchlorate)","","- C26 H36 Cl2 N6 Ni2 O10 -","- C26 H36 Cl2 N6 Ni2 O10 -","- C52 H72 Cl4 N12 Ni4 O20 -","2","0.5","TR3024","Bera, Manindranath; Noll, Bruce C.","Two new oximate-bridged square-planar dinuclear nickel(II) complexes","Acta Crystallographica Section C","2007","63","12","m553","m556","10.1107/S0108270107048937","","","0.71073","MoKα","","0.0291","0.0229","","","0.0599","0.0628","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016368","10.0095","0.0018","13.293","0.002","14.052","0.003","93.573","0.003","99.225","0.003","110.134","0.002","1718.8","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[acetatohexaaqua(μ~4~-2,6-bis[bis(carboxylatomethyl)aminomethyl]- 4-methylphenolato)trizinc(II)] octahydrate]","","- C19 H48 N2 O25 Zn3 -","- C19 H48 N2 O25 Zn3 -","- C38 H96 N4 O50 Zn6 -","2","1","AV3103","Zhang, Yuan-Yuan; Huo, Fang-Jun; Gao, Fei","A novel O‒Zn bridging polymer complex of 2,6-bis[bis(carboxylatomethyl)aminomethyl]-4-methylphenolate","Acta Crystallographica Section C","2008","64","1","m67","m69","10.1107/S0108270107047282","","","0.71073","MoKα","","0.0855","0.0685","","","0.1246","0.1306","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016369","5.9983","0.0002","9.5439","0.0004","12.7293","0.0005","111.33","0.001","92.188","0.001","97.965","0.001","669.15","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","rac-<i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","AV3113","Henryk Krawczyk; Katarzyna Wąsek; Jacek Kędzia; Jakub Wojciechowski; Wojciech M. Wolf","<i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid","Acta Crystallographica Section C","2008","64","1","o24","o26","10.1107/S0108270107050883","","","0.71073","MoKα","","0.0444","0.043","","","0.1112","0.1124","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016370","14.677","0.002","9.2626","0.0015","16.99","0.003","90","","109.717","0.002","90","","2174.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxy-octa-μ~3~- triazolato-heptamanganese(II)]","","- C24 H30 Mn7 N24 O10 -","- C24 H30 Mn7 N24 O10 -","- C48 H60 Mn14 N48 O20 -","2","0.5","AV3119","Weng, Zhe-Hui; Chen, Zi-Lu; Liang, Fu-Pei","A novel three-dimensional coordination polymer: poly[di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxido-octa-μ~3~-triazolato-heptamanganese(II)]","Acta Crystallographica Section C","2008","64","1","m64","m66","10.1107/S0108270107056259","","","0.71073","MoKα","","0.0625","0.038","","","0.0917","0.1128","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016371","40.152","0.009","8.353","0.003","18.842","0.005","90","","113.138","0.009","90","","5811","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[bis[μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]tris[μ~2~-1,3-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)]","","- C60 H48 Co3 N12 O12 -","- C60 H48 Co3 N12 O12 -","- C240 H192 Co12 N48 O48 -","4","1","BG3062","Ying-Ying Liu; Jin Yang; Ji-Cheng Ma; Jian-Fang Ma","Poly[bis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] and poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","Acta Crystallographica Section C","2008","64","1","m33","m36","10.1107/S0108270107059124","","","0.71069","MoKα","","0.0443","0.0373","","","0.0877","0.0911","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016372","14.16","0.004","10.105","0.003","20.927","0.004","90","","99.73","0.006","90","","2951.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[diaquabis[μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]tris[μ~2~-1,4-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","","- C60 H54 Co3 N12 O15 -","- C60 H48 Co3 N12 O15 -","- C120 H96 Co6 N24 O30 -","2","0.5","BG3062","Ying-Ying Liu; Jin Yang; Ji-Cheng Ma; Jian-Fang Ma","Poly[bis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] and poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","Acta Crystallographica Section C","2008","64","1","m33","m36","10.1107/S0108270107059124","","","0.71069","MoKα","","0.1547","0.0743","","","0.1381","0.1654","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016373","18.6701","0.0004","6.652","0.001","16.06","0.002","90","","123.126","0.008","90","","1670.4","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","DN3056","Ejsmont, Krzysztof; Joly, Jean-Pierre; Wenger, Emmanuel; Jelsch, Christian","(2<i>S</i>,3<i>S</i>)-2-(<i>N</i>,<i>N</i>-Dibenzylamino)butane-1,3-diol refined using a multipolar atom model","Acta Crystallographica Section C","2008","64","1","o18","o20","10.1107/S0108270107043296","","","0.71073","MoKα","","0.0375","0.0368","","","0.0908","0.0913","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016374","10.5525","0.0018","11.4674","0.0017","13.412","0.002","90","","91.77","0.05","90","","1622.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(μ-dimethylphenylsilanolato-κ^2^O:O)bis[bromido(diethyl ether)magnesium(II)]","","- C24 H42 Br2 Mg2 O4 Si2 -","- C24 H42 Br2 Mg2 O4 Si2 -","- C48 H84 Br4 Mg4 O8 Si4 -","2","0.5","DN3070","Lennartson, Anders; Håkansson, Mikael","Degradation of silicone grease by Grignard reagents: bis(μ-dimethylphenylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis[bromido(diethyl ether)magnesium(II)]","Acta Crystallographica Section C","2008","64","1","m8","m9","10.1107/S0108270107057903","","","0.71073","MoKα","","0.0271","0.0237","","","0.0598","0.0606","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016375","20.5023","0.0017","7.6894","0.0006","22.847","0.0019","90","","104.904","0.002","90","","3480.7","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Almotriptan","<i>N</i>,<i>N</i>-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1<i>H</i>- indol-3-yl]-ethanamine","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C136 H200 N24 O16 S8 -","8","1","DN3071","K. Ravikumar; B. Sridhar; Harihara Krishnan; A. N. Singh","Almotriptan, an antimigraine agent, and its malate salt","Acta Crystallographica Section C","2008","64","1","o15","o17","10.1107/S0108270107060507","","","0.71073","MoKα","","0.1068","0.0779","","","0.1496","0.1622","","","","","","1.174","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016376","7.5542","0.0007","9.3561","0.0009","17.3608","0.0017","104.081","0.002","101.121","0.002","92.681","0.002","1162.13","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Almotriptan Malate","<i>N</i>,<i>N</i>-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1<i>H</i>- indol-3-yl]-ethanaminium malate","","- C21 H31 N3 O7 S -","- C21 H31 N3 O7 S -","- C42 H62 N6 O14 S2 -","2","1","DN3071","K. Ravikumar; B. Sridhar; Harihara Krishnan; A. N. Singh","Almotriptan, an antimigraine agent, and its malate salt","Acta Crystallographica Section C","2008","64","1","o15","o17","10.1107/S0108270107060507","","","0.71073","MoKα","","0.0511","0.0485","","","0.1306","0.1332","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016377","12.177","0.002","13.842","0.003","7.1502","0.0014","90","","91.17","0.03","90","","1204.9","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","","- C6 H10 Ba Ni O11 -","- C6 H10 Ba Ni O11 -","- C24 H40 Ba4 Ni4 O44 -","4","1","FA3125","Guo, Ming-Lin; Zhang, Hou-Ying","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","Acta Crystallographica Section C","2008","64","1","m30","m32","10.1107/S0108270107060763","","","0.71073","MoKα","","0.0418","0.0417","","","0.0988","0.0989","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016378","9.1183","0.0018","7.1051","0.0014","22.954","0.004","90","","95.08","0.01","90","","1481.3","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(dihydronium) naphthalene-1,5-disulfonate","","- C10 H16 O10 S2 -","- C10 H16 O10 S2 -","- C40 H64 O40 S8 -","4","0.5","GD3169","Genivaldo Júlio Perpétuo; Jan Janczak","Bis(dihydronium) naphthalene-1,5-disulfonate","Acta Crystallographica Section C","2008","64","1","o21","o23","10.1107/S0108270107063342","","","0.71073","MoKα","","0.0356","0.0299","","","0.0743","0.0773","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016379","31.0347","0.0006","15.9441","0.0011","18.3824","0.0007","90","","90","","90","","9096","0.7","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","","[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) methanol solvate","","- C49 H32 N4 O9 Pd -","- C49 H32 N4 O9 Pd -","- C392 H256 N32 O72 Pd8 -","8","","GD3172","Sophia Lipstman; Israel Goldberg","Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents","Acta Crystallographica Section C","2008","64","1","m53","m57","10.1107/S0108270107063524","","","0.71073","MoKα","","0.1191","0.0699","","","0.1449","0.1604","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016380","7.7243","0.0002","13.2668","0.0004","14.5878","0.0005","81.382","0.0016","87.3282","0.0017","87.0384","0.0017","1474.91","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II)‒ <i>N</i>,<i>N</i>'-dimethylformamide‒water (1/4/4)","","- C60 H64 N8 O16 Pd -","- C60 H64 N8 O16 Pd -","- C60 H64 N8 O16 Pd -","1","0.5","GD3172","Sophia Lipstman; Israel Goldberg","Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents","Acta Crystallographica Section C","2008","64","1","m53","m57","10.1107/S0108270107063524","","","0.71073","MoKα","","0.0456","0.037","","","0.0787","0.0825","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016381","8.5115","0.0013","12.8018","0.0018","14.128","0.002","90","","99.814","0.005","90","","1516.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 O4 Zn2 -","- C32 H40 O4 Zn2 -","- C64 H80 O8 Zn4 -","2","0.5","GG3123","Lennartson, Anders; Håkansson, Mikael","Slow atmospheric oxidation of diphenylzinc: di-μ-phenoxido-bis[(diethyl ether)phenylzinc(II)]","Acta Crystallographica Section C","2008","64","1","m10","m12","10.1107/S0108270107057514","","","0.71073","MoKα","","0.0339","0.0311","","","0.0791","0.0804","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016382","4.8076","0.0003","11.6397","0.0005","15.501","0.0007","92.164","0.004","96.217","0.005","100.087","0.004","847.56","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-ethylsulfanyl-7-(4-methylphenyl)-4-phenylpyrazolo[1,5-a][1,3,5]triazine","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.0702","0.0421","","","0.0909","0.1059","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016383","11.829","0.001","7.5703","0.0005","19.5297","0.0005","90","","107.2","0.003","90","","1670.65","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-(4-chlorophenyl)-2-ethylsulfanyl-4-phenylpyrazolo[1,5-a][1,3,5]triazine","","- C19 H15 Cl N4 S -","- C19 H15 Cl N4 S -","- C76 H60 Cl4 N16 S4 -","4","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.0565","0.036","","","0.0798","0.092","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016384","7.7117","0.0004","8.3261","0.001","27.678","0.003","90","","94.978","0.005","90","","1770.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,7-bis(4-chlorophenyl)-2-(ethylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine","","- C19 H14 Cl2 N4 S -","- C19 H14 Cl2 N4 S -","- C76 H56 Cl8 N16 S4 -","4","1","GG3133","Insuasty, Henry; Mier, Paola; Suarez, Gina; Low, John N.; Cobo, Justo; Glidewell, Christopher","Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-<i>a</i>][1,3,5]triazines","Acta Crystallographica Section C","2008","64","1","o27","o30","10.1107/S0108270107064074","","","0.71073","MoKα","","0.1125","0.0545","","","0.1218","0.1554","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016385","11.3414","0.0007","32.9899","0.0019","16.1","0.001","90","","134.162","0.003","90","","4321.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trichlorido(μ~3~-triethylphosphine oxide-κ^3^O:O:O)tris(μ~2~-triethylphosphine oxide-κ^2^O:O)trilithium(I) toluene solvate","","- C31 H68 Cl3 Li3 O4 P4 -","- C31 H68 Cl3 Li3 O4 P4 -","- C124 H272 Cl12 Li12 O16 P16 -","4","1","GZ3103","Wioleta Domanska-Babul; Katarzyna Baranowska; Jerzy Pikies","Two pseudopolymorphs of LiCl trimers with semicubane structures","Acta Crystallographica Section C","2008","64","1","m20","m22","10.1107/S0108270107058763","","","0.71073","MoKα","","0.0932","0.06","","","0.1177","0.1272","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016386","12.0507","0.0004","12.1447","0.0003","25.8698","0.0007","90","","94.564","0.002","90","","3774.1","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trichlorido(μ~3~-triethylphosphine oxide-κ^3^O:O:O)tris(μ~2~-triethylphosphine oxide-κ^2^O:O)trilithium(I)","","- C24 H60 Cl3 Li3 O4 P4 -","- C24 H60 Cl3 Li3 O4 P4 -","- C96 H240 Cl12 Li12 O16 P16 -","4","1","GZ3103","Wioleta Domanska-Babul; Katarzyna Baranowska; Jerzy Pikies","Two pseudopolymorphs of LiCl trimers with semicubane structures","Acta Crystallographica Section C","2008","64","1","m20","m22","10.1107/S0108270107058763","","","0.71073","MoKα","","0.0372","0.0336","","","0.0889","0.0922","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016387","7.75","0.002","28.588","0.007","7.519","0.001","90","","106.63","0.012","90","","1596.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","GZ3109","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif; Parvez, Masood","<i>N</i>-(<i>X</i>-Chlorophenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","1","o4","o6","10.1107/S0108270107059173","","","0.71073","MoKα","","0.0453","0.0343","","","0.083","0.0896","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016388","7.97","0.005","10.945","0.006","11.133","0.007","60.61","0.03","69.81","0.03","86.32","0.02","787.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N-(2-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C32 H26 Cl2 N4 O8 S2 -","2","1","GZ3109","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif; Parvez, Masood","<i>N</i>-(<i>X</i>-Chlorophenyl)-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","1","o4","o6","10.1107/S0108270107059173","","","0.71073","MoKα","","0.107","0.0498","","","0.1036","0.1272","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016389","6.0869","0.0009","6.5376","0.0009","9.4896","0.0015","79.302","0.008","83.344","0.009","76.137","0.008","359.24","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(5-aminotetrazole-1-acetato-κO)cobalt(II)","","- C6 H16 Co N10 O8 -","- C6 H16 Co N10 O8 -","- C6 H16 Co N10 O8 -","1","0.5","GZ3110","Li, Qiao-Yun; Yang, Gao-Wen; Yuan, Rong-Xin; Wang, Jia-Ping; Cui, Peng-Fei","Bis(5-aminotetrazole-1-acetato-κ<i>O</i>)tetraaquacobalt(II) and <i>catena</i>-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ^3^<i>N</i>^4^:<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2008","64","1","m26","m29","10.1107/S0108270107051098","","","0.7107","MoKα","","0.0268","0.0259","","","0.0695","0.0704","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016390","13.52","0.004","10.625","0.003","8.877","0.003","90","","105.808","0.005","90","","1227","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[[cadmium(II)]bis(μ-5-aminotetrazole-1-acetato-κ^3^N^4^:O,O')]","","- C6 H8 Cd N10 O4 -","- C6 H8 Cd N10 O4 -","- C24 H32 Cd4 N40 O16 -","4","0.5","GZ3110","Li, Qiao-Yun; Yang, Gao-Wen; Yuan, Rong-Xin; Wang, Jia-Ping; Cui, Peng-Fei","Bis(5-aminotetrazole-1-acetato-κ<i>O</i>)tetraaquacobalt(II) and <i>catena</i>-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ^3^<i>N</i>^4^:<i>O</i>,<i>O</i>')]","Acta Crystallographica Section C","2008","64","1","m26","m29","10.1107/S0108270107051098","","","0.7107","MoKα","","0.0162","0.0159","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016391","7.109","0.0004","10.2326","0.0005","11.1591","0.0007","93.2852","0.0019","102.938","0.0018","90.964","0.0018","789.48","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","dipyrido[f,h]quinoxaline-6,7-dicarbonitrile ethanol solvate","","- C18 H12 N6 O -","- C18 H12 N6 O -","- C36 H24 N12 O2 -","2","1","HJ3061","Leonid Kozlov; Janice M. Rubin-Preminger; Israel Goldberg","Remarkable π‒π stacking of dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile in its ethanol solvate","Acta Crystallographica Section C","2008","64","1","o1","o3","10.1107/S0108270107058064","","","0.71073","MoKα","","0.1026","0.0582","","","0.1315","0.155","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016392","6.7592","0.0002","7.1773","0.0002","7.2398","0.0002","90.806","0.003","110.315","0.003","105.385","0.0015","315.376","0.017","173","","173","","","","","","","","","4","P -1","-P 1","2","","lithium iron dimolybdate","","- Fe Li Mo2 O8 -","- Fe Li Mo2 O8 -","- Fe2 Li2 Mo4 O16 -","2","1","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.7107","MoKα","","0.0142","0.0136","","0.0347","0.0345","0.0347","","","","","","1.1979","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016393","6.7232","0.0003","7.0982","0.0003","7.258","0.0004","90.915","0.004","110.648","0.004","105.253","0.004","310.43","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","lithium gallium dimolybdate","","- Ga Li Mo2 O8 -","- Ga Li Mo2 O8 -","- Ga2 Li2 Mo4 O16 -","2","1","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.7107","MoKα","","0.043","0.0419","","0.1158","0.1149","0.1158","","","","","","0.8242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016394","5.04022","0.00013","10.4054","0.0003","17.4541","0.0005","90","","90","","90","","915.39","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trilithium gallium trimolybdate","","- Ga Li3 Mo3 O12 -","- Ga1.0028 Li2.9972 Mo3 O12 -","- Ga4.0112 Li11.9888 Mo12 O48 -","4","0.5","IZ3035","A. van der Lee; M. Beaurain; P. Armand","LiFe(MoO~4~)~2~, LiGa(MoO~4~)~2~ and Li~3~Ga(MoO~4~)~3~","Acta Crystallographica Section C","2008","64","1","i1","i4","10.1107/S0108270107061975","","","0.71073","MoKα","","0.0369","0.0312","","0.085","0.0836","0.085","","","","","","1.1353","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016395","8.6711","0.00015","17.0109","0.0003","8.38857","0.00016","90","","90","","90","","1237.34","0.04","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium digallium triphosphate","","- Ga2 K3 O12 P3 -","- Ga2 K3 O12 P3 -","- Ga8 K12 O48 P12 -","4","1","IZ3036","M. Beaurain; R. Astier; A. van der Lee; P. Armand","K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~","Acta Crystallographica Section C","2008","64","1","i5","i8","10.1107/S0108270107061963","","","0.71073","MoKα","","0.0448","0.0344","","0.0877","0.0863","0.0877","","","","","","0.9789","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016396","8.8595","0.0003","8.8773","0.0003","9.1972","0.0003","88.97","0.003","70.982","0.003","87.949","0.003","683.41","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","trisodium gallium biphosphate","","- Ga Na3 O8 P2 -","- Ga Na3 O8 P2 -","- Ga4 Na12 O32 P8 -","4","2","IZ3036","M. Beaurain; R. Astier; A. van der Lee; P. Armand","K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~","Acta Crystallographica Section C","2008","64","1","i5","i8","10.1107/S0108270107061963","","","0.71073","MoKα","","0.0617","0.0425","","0.1379","0.1295","0.1379","","","","","","0.9991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016397","8.8872","0.0006","9.3897","0.0006","10.1875","0.0007","66.389","0.004","67.135","0.004","76.842","0.005","715.14","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide","","- C14 H18 I N O -","- C13.9794 H17.9382 I1.015 N O -","- C27.9588 H35.8764 I2.03 N2 O2 -","2","1","LN3060","Hughes, David L.; McDermott, Michael C.; Stephenson, G. Richard; Walkington, Andrew J.","(2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide","Acta Crystallographica Section C","2008","64","1","o7","o9","10.1107/S0108270107056016","","","0.71073","MoKα","","0.0484","0.0328","","","0.078","0.0856","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016398","11.681","0.002","12.437","0.002","12.709","0.002","107.317","0.002","106.34","0.002","91.838","0.002","1677.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2- yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)","","- C68 H48 Cd2 Cl4 N12 O22 -","- C68 H48 Cd2 Cl4 N12 O22 -","- C68 H48 Cd2 Cl4 N12 O22 -","1","0.5","LN3071","Liu, Qi Sheng; Liu, Lian Dong; Shi, Jing Min","Bis[μ-1-(1,10-phenanthrolin-2-yl)-2-pyridone]bis{aqua[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)} tetrakis(perchlorate)","Acta Crystallographica Section C","2008","64","1","m58","m60","10.1107/S0108270107063718","","","0.71073","MoKα","","0.0573","0.041","","","0.0964","0.1027","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016399","6.4056","0.0008","8.222","0.0006","9.0916","0.0012","90.946","0.008","96.487","0.006","110.425","0.008","445.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","poly[μ~2~-hydroxido-κ^2^O:O-μ~2~-2-pyridylacetato-κ^3^O,N:O'-\ dioxidouranium(VI)]","","- C7 H7 N O5 U -","- C7 H7 N O5 U -","- C14 H14 N2 O10 U2 -","2","1","LN3075","Thuéry, Pierre","One-dimensional uranium‒organic framework in <i>catena</i>-poly[[di-μ~2~-hydroxido-bis[dioxouranium(VI)]]-di-μ~2~-2-pyridylacetato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>',<i>N</i>]","Acta Crystallographica Section C","2008","64","1","m50","m52","10.1107/S010827010706249X","","","0.71073","MoKα","","0.0219","0.0185","","","0.0388","0.0394","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016400","4.9758","0.0007","8.6213","0.0013","25.521","0.004","90","","90","","90","","1094.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-1-(methylaminocarbonyl)-3-phenylpropanaminium chloride","","- C10 H15 Cl N2 O -","- C10 H15 Cl N2 O -","- C40 H60 Cl4 N8 O4 -","4","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0695","0.0579","","","0.1463","0.1572","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016401","7.1167","0.0014","19.237","0.004","30.37","0.006","90","","90","","90","","4157.8","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0774","0.0559","","","0.1176","0.1311","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016402","7.123","0.001","19.232","0.003","30.384","0.004","90","","90","","90","","4162.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.1019","0.0713","","","0.1474","0.1705","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016403","9.632","0.0019","7.0446","0.0014","11.093","0.002","90","","105.82","0.03","90","","724.2","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","R enantiomer","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0873","0.056","","","0.1149","0.1298","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016404","9.6425","0.0014","7.0517","0.001","11.0895","0.0016","90","","105.796","0.002","90","","725.57","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","S enantiomer","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride monohydrate","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C26 H42 Cl2 N4 O4 -","2","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.7977","synchrotron","","0.0818","0.0539","","","0.1085","0.1219","","","","","","0.978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016405","10.388","0.0017","15.715","0.003","10.1518","0.0016","90","","98.423","0.003","90","","1639.4","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N',N'-dibutylselenourea","","- C16 H24 N2 O Se -","- C16 H24 N2 O Se -","- C64 H96 N8 O4 Se4 -","4","1","SF3058","Jocelyn C. Bruce; Klaus R. Koch","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dibutylselenourea and its palladium(II) complex","Acta Crystallographica Section C","2008","64","1","m1","m4","10.1107/S0108270107053711","","","0.71073","MoKα","","0.051","0.0371","","","0.08","0.0853","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016406","9.9302","0.0008","10.9315","0.0009","15.4119","0.0013","80.216","0.001","88.291","0.001","81.867","0.001","1632","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(N-benzoyl-N',N'-dibutylselenoureato-κ^2^Se,O)palladium(II)","","- C32 H46 N4 O2 Pd Se2 -","- C32 H46 N4 O2 Pd Se2 -","- C64 H92 N8 O4 Pd2 Se4 -","2","1","SF3058","Jocelyn C. Bruce; Klaus R. Koch","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dibutylselenourea and its palladium(II) complex","Acta Crystallographica Section C","2008","64","1","m1","m4","10.1107/S0108270107053711","","","0.71073","MoKα","","0.0244","0.0221","","","0.0554","0.0563","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016407","6.1299","0.0011","10.7515","0.0018","23.901","0.004","90","","90","","90","","1575.2","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","sodium cacodylate trihydrate","penta-μ-aqua-disodium(I) bis(dimethylarsenate)","","- C2 H11 As Na O4.5 -","- C2 H11 As Na O4.5 -","- C16 H88 As8 Na8 O36 -","8","1","SF3063","Lennartson, Anders; Håkansson, Mikael","Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","Acta Crystallographica Section C","2008","64","1","m13","m16","10.1107/S0108270107055151","","","0.71073","MoKα","","0.0378","0.0326","","","0.0646","0.0667","","","","","","1.178","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2016408","11.516","0.003","8.838","0.002","19.635","0.005","90","","109.907","0.008","90","","1879","0.8","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium cacodylate tetrahydrate","di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","","- C4 H28 As2 Na2 O12 -","- C4 H28 As2 Na2 O12 -","- C16 H112 As8 Na8 O48 -","4","0.5","SF3063","Lennartson, Anders; Håkansson, Mikael","Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)","Acta Crystallographica Section C","2008","64","1","m13","m16","10.1107/S0108270107055151","","","0.71073","MoKα","","0.0202","0.0177","","","0.0432","0.0438","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016409","19.026","0.003","19.026","0.003","14.521","0.005","90","","90","","120","","4552.2","1.9","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(morpholin-4-ylmethyl)phenyl-κ2C1,N]antimony(III)","","- C33 H42 N3 O3 Sb -","- C33 H42 N3 O3 Sb -","- C198 H252 N18 O18 Sb6 -","6","0.333333","SF3067","Copolovici, Dana; Silvestru, Cristian; Varga, Richard A.","Tris[2-(morpholin-4-ylmethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]antimony(III)","Acta Crystallographica Section C","2008","64","1","m37","m39","10.1107/S0108270107061896","","","0.71073","MoKα","","0.0409","0.0364","","","0.0787","0.0806","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016410","24.4198","0.0007","7.4511","0.0002","23.1654","0.0006","90","","115.772","0.001","90","","3795.78","0.18","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate","","- C33 H26 Au O P S10 -","- C33 H26 Au O P S10 -","- C132 H104 Au4 O4 P4 S40 -","4","1","SK3168","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Fan, Jian-Dong; Zhang, Guang-Hui; Ren, Quan","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","Acta Crystallographica Section C","2008","64","1","m46","m49","10.1107/S010827010706074X","","","0.71073","MoKα","","0.0304","0.0226","","","0.0496","0.0536","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016411","17.3058","0.0002","9.9306","0.0001","19.0668","0.0002","90","","103.959","0.001","90","","3180","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","","- C26 H20 Au P S10 -","- C26 H20 Au P S10 -","- C104 H80 Au4 P4 S40 -","4","1","SK3168","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Fan, Jian-Dong; Zhang, Guang-Hui; Ren, Quan","Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)","Acta Crystallographica Section C","2008","64","1","m46","m49","10.1107/S010827010706074X","","","0.71073","MoKα","","0.0484","0.027","","","0.0506","0.0565","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016412","16.53","0.005","12.104","0.005","23.601","0.005","90","0.005","95.191","0.005","90","0.005","4703","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-(2-hydroxyethyl)-4,10-diazapyrazolo[3,4-<i>b</i>]fluoren-9(3H)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate","","- C39 H47 N17 O6 S2 Zn -","- C39 H47 N17 O6 S2 Zn -","- C156 H188 N68 O24 S8 Zn4 -","4","1","SQ3102","Xi-Quan Che","Bis[1-(2-hydroxyethyl)-4,10-diazapyrazolo[4,3-<i>b</i>]fluoren-5(1<i>H</i>)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate","Acta Crystallographica Section C","2008","64","1","m5","m7","10.1107/S0108270107052602","","","0.71069","MoKα","","0.1367","0.0593","","","0.1347","0.1656","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2016413","8.9333","0.0004","12.1598","0.0004","14.0088","0.0006","90","","103.678","0.004","90","","1478.58","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.072","0.0512","","","0.1244","0.1427","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016414","8.963","0.003","12.139","0.005","13.989","0.006","90","","103.87","0.03","90","","1477.7","1","180","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dichlorido[1,1'-(butane-1,3-diyl)-3,3',4,4'-tetramethyl-5,5'-diphenyl-2,2'- biphosphole]palladium(II) dichloromethane solvate","dichlorido(1,2,5,10,11-pentamethyl-3,9- diphenylperhydrodicyclopenta[a,c][1,4]diphosphepine-κ^2^P,P')palladium(II) dichloromethane solvate","","- C29 H32 Cl4 P2 Pd -","- C29 H32 Cl4 P2 Pd -","- C58 H64 Cl8 P4 Pd2 -","2","1","SQ3103","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","New enantiopure palladium(II) complexes from a stereodynamic 2,2'-biphosphole ligand","Acta Crystallographica Section C","2008","64","1","m43","m45","10.1107/S0108270107049347","","","0.71073","MoKα","","0.1593","0.0799","","","0.176","0.2256","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016415","7.5635","0.0015","7.4984","0.0015","13.346","0.003","90","","102.06","0.03","90","","740.2","0.3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(dimethyl sulfide)tetraiodidoplatinum(IV)","","- C4 H12 I4 Pt S2 -","- C4 H12 I4 Pt S2 -","- C8 H24 I8 Pt2 S4 -","2","0.5","SQ3105","Janse van Rensburg, J. Marthinus; Oskarsson, Åke; Roodt, Andreas","<i>cis</i>‒<i>trans</i> Isomers of Pt<i>X</i>~4~<i>L</i>~2~ (<i>X</i> = halogen and <i>L</i> = neutral ligand): <i>trans</i>-bis(dimethyl sulfide)tetraiodidoplatinum(IV)","Acta Crystallographica Section C","2008","64","1","m40","m42","10.1107/S0108270107060799","","","0.71073","MoKα","","","0.0292","","","","0.0649","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016416","12.574","0.005","7.679","0.005","6.321","0.005","90","","114.351","0.005","90","","556","0.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","diaquadinitramidatolithium(I)","","- H4 Li N3 O6 -","- H4 Li N3 O6 -","- H16 Li4 N12 O24 -","4","0.5","SQ3109","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate","Acta Crystallographica Section C","2008","64","1","m17","m19","10.1107/S0108270107054212","","","0.71073","MoKα","","0.0656","0.0329","","","0.0637","0.0694","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016417","3.7009","0.0002","14.4548","0.0007","14.6214","0.0008","90","","94.281","0.006","90","","780","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","pyridinium dinitramidate","","- C5 H6 N4 O4 -","- C5 H6 N4 O4 -","- C20 H24 N16 O16 -","4","1","SQ3109","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate","Acta Crystallographica Section C","2008","64","1","m17","m19","10.1107/S0108270107054212","","","0.71073","MoKα","","0.0975","0.0349","","","0.0656","0.0771","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016418","13.4079","0.0008","6.5765","0.0004","16.039","0.0009","90","","106.283","0.001","90","","1357.54","0.14","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","poly[bis(μ-6-mercaptonicotinato-κ^2^S:O)zinc(II)]","","- C12 H8 N2 O4 S2 Zn -","- C12 H8 N2 O4 S2 Zn -","- C48 H32 N8 O16 S8 Zn4 -","4","1","SQ3111","Yong Wang; Dong-Xia Zhu; Zhong-Min Su; Kui-Zhan Shao; Ya-Hui Zhao","A novel two-dimensional zinc(II) coordination polymer with 6-mercaptonicotinic acid","Acta Crystallographica Section C","2008","64","1","m70","m72","10.1107/S0108270107063962","","","0.71073","MoKα","","0.0474","0.0336","","","0.0851","0.0942","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016419","8.7306","0.0005","10.3274","0.0005","15.5205","0.0009","90","","105.623","0.003","90","","1347.7","0.13","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Bis(acetato-κO)bis(dimethyl sulfide-κS)platinum(II)","","- C8 H18 O4 Pt S2 -","- C8 H18 O4 Pt S2 -","- C32 H72 O16 Pt4 S8 -","4","1","SQ3114","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(acetato-κ<i>O</i>)bis(dimethyl sulfide-κ<i>S</i>)platinum(II)","Acta Crystallographica Section C","2008","64","1","m61","m63","10.1107/S0108270107061902","","","0.71073","MoKα","","0.0428","0.0294","","","0.0698","0.0728","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016420","6.9091","0.0005","8.6855","0.0007","34.899","0.003","90","","92.974","0.001","90","","2091.4","0.3","298","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua[3-(2-pyridylsulfanyl)propionato N-oxide-κO^1^]copper(II)]-μ-[3-(2-pyridylsulfanyl)propionato N-oxide-κ^3^O^3^:O^1^,O^1'^] dihydrate]","","- C16 H22 Cu N2 O9 S2 -","- C16 H22 Cu N2 O9 S2 -","- C64 H88 Cu4 N8 O36 S8 -","4","1","TR3018","Murugan Indrani; Ramasamy Ramasubramanian; Sudalaiandi Kumaresan; Mao-Lin Hu; Manuel Soriano-García","<i>catena</i>-Poly[[[aqua[3-(2-pyridylsulfanyl)propionato <i>N</i>-oxide-κ<i>O</i>^1^]copper(II)]-μ-[3-(2-pyridylsulfanyl)propionato <i>N</i>-oxide-κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^] dihydrate]","Acta Crystallographica Section C","2008","64","1","m23","m25","10.1107/S0108270107051670","","","0.71073","MoKα","","0.0497","0.0456","","","0.1092","0.1172","","","","","","1.193","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016421","13.2702","0.0006","14.993","0.0007","14.0947","0.0007","90","","115.471","0.001","90","","2531.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C88 H96 N16 O48 S8 -","8","2","AV3124","Meng, Xiang-Gao; Xiao, Yi-Long; Wang, Zi-Liang; Liu, Chang-Lin","Three-dimensional networks in 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2008","64","2","o53","o57","10.1107/S0108270107067273","","","0.71073","MoKα","","0.1172","0.061","","","0.1357","0.1575","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016422","9.5394","0.0005","17.8475","0.0009","10.4174","0.0005","90","","94.136","0.001","90","","1768.99","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","","- C15 H18 N4 O6 S -","- C15 H18 N4 O6 S -","- C60 H72 N16 O24 S4 -","4","1","AV3124","Meng, Xiang-Gao; Xiao, Yi-Long; Wang, Zi-Liang; Liu, Chang-Lin","Three-dimensional networks in 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2008","64","2","o53","o57","10.1107/S0108270107067273","","","0.71073","MoKα","","0.0523","0.0421","","","0.1382","0.1548","","","","","","0.816","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016423","23.898","0.002","10.4791","0.0009","15.9302","0.0013","90","","119.412","0.001","90","","3475.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-ethyl-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1H,5H-2,3,4a,6,7a- pentaazacyclopenta[cd]indene-2a,7b-dicarboxylate","","- C14 H21 N5 O6 -","- C14 H21 N5 O6 -","- C112 H168 N40 O48 -","8","1","AV3132","Li-Ping Cao; Xiang-Gao Meng; Meng Gao; Neng-Fang She; An-Xin Wu","Two-dimensional hydrogen-bonded networks in two novel glycoluril derivatives","Acta Crystallographica Section C","2008","64","2","o69","o72","10.1107/S0108270107067108","","","0.71073","Mokα","","0.1003","0.0689","","","0.1579","0.1723","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016424","8.0724","0.0005","11.6462","0.0007","19.2338","0.0012","90","","100.462","0.001","90","","1778.16","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-ethyl-2a,7b-diphenyl-2,2a,3,4,6,7-hexahydro-1H,5H-2,3,4a,6,7a- pentaazacyclopenta[cd]azulene-1,4-dione","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C80 H84 N20 O8 -","4","1","AV3132","Li-Ping Cao; Xiang-Gao Meng; Meng Gao; Neng-Fang She; An-Xin Wu","Two-dimensional hydrogen-bonded networks in two novel glycoluril derivatives","Acta Crystallographica Section C","2008","64","2","o69","o72","10.1107/S0108270107067108","","","0.71073","Mokα","","0.1032","0.0632","","","0.1435","0.1587","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016425","6.7224","0.0015","10.326","0.002","14.694","0.003","109.331","0.004","100.233","0.004","90.803","0.004","944.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±)-2-(4-methoxyphenyl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","DN3077","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Two quinazolinones: a ring conformational study","Acta Crystallographica Section C","2008","64","2","o80","o83","10.1107/S0108270107068850","","","0.71073","MoKα","","0.0949","0.0637","","","0.1659","0.1897","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016426","29.84","0.005","6.6467","0.001","20.587","0.003","90","","109.529","0.002","90","","3848.3","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-2-(1,3-benzodioxol-5-yl))-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","DN3077","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Two quinazolinones: a ring conformational study","Acta Crystallographica Section C","2008","64","2","o80","o83","10.1107/S0108270107068850","","","0.71073","MoKα","","0.1039","0.0866","","","0.1851","0.1939","","","","","","1.281","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016427","12.533","0.005","12.533","0.005","20.763","0.006","90","","90","","120","","2824.4","1.8","173","1","173","1","","","","","","","","3","R -3 :H","-R 3","148","","hexaphenylhexaphosphinane benzene solvate","","- C42 H36 P6 -","- C42 H36 P6 -","- C126 H108 P18 -","3","0.166667","GA3071","Jan J. Weigand; Andreas Decken; Neil Burford","Hexaphenylhexaphosphinane benzene solvate","Acta Crystallographica Section C","2008","64","2","o64","o66","10.1107/S0108270107067248","","","0.71073","MoKα","","0.0351","0.03","","","0.0812","0.088","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016428","7.2144","0.0003","14.0623","0.0006","16.7536","0.0008","90","","90","","90","","1699.67","0.13","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Phenyluridine 2.06-hydrate","","- C15 H17.75 N2 O9.06 -","- C15 H17.75 N2 O9.06 -","- C60 H71 N8 O36.24 -","4","1","GD3149","Pesnot, Thomas; Hughes, David L.; Wagner, Gerd K.","5-Phenyluridine trihydrate","Acta Crystallographica Section C","2008","64","2","o44","o46","10.1107/S0108270107064177","","","0.71073","Mo-Kα","","0.0829","0.0577","","","0.1008","0.1112","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016429","12.5239","0.0003","7.7987","0.0002","10.3585","0.0003","90","","109.523","0.002","90","","953.55","0.04","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethane-1,1,2-trisphosphonic acid hemihydrate","","- C2 H10 O9.5 P3 -","- C2 H10 O9.5 P3 -","- C8 H40 O38 P12 -","4","1","GD3158","Delain-Bioton, Lise; Lohier, Jean-François; Villemin, Didier; Sopková-de Oliveira Santos, Jana; Hix, Gary; Jaffrès, Paul-Alain","Ethane-1,1,2-trisphosphonic acid hemihydrate","Acta Crystallographica Section C","2008","64","2","o47","o49","10.1107/S0108270107064098","","","0.71073","MoKα","","0.0606","0.0345","","","0.082","0.0953","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016430","10.8828","0.0002","11.4746","0.0002","20.9073","0.0004","90","","90","","90","","2610.82","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2,2,2-trinitroethyl)carbonate","bis(2,2,2-trinitroethyl) carbonate","","- C5 H4 N6 O15 -","- C5 H4 N6 O15 -","- C40 H32 N48 O120 -","8","1","GD3179","Göbel, Michael; Thomas M. Klapötke","Exceeding the oxygen content of liquid oxygen: bis(2,2,2-trinitroethyl) carbonate","Acta Crystallographica Section C","2008","64","2","o58","o60","10.1107/S0108270107066632","","","0.71073","MoKα","","0.0445","0.0272","","","0.0617","0.0681","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016431","11.2076","0.0011","8.491","0.0007","14.1867","0.0015","90","","99.457","0.008","90","","1331.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-4-(4-methoxyphenyl)-10-oxa- 4-azatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","GD3181","Aytaç Gürhan Gökçe; Cumali Çelik; Muhittin Aygün; Nüket Öcal; Orhan Büyükgüngör","Supramolecular structure of racemic 5-hydroxy-4-(4-methoxyphenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section C","2008","64","2","o98","o100","10.1107/S0108270108000504","","","0.71073","MoKα","","0.093","0.0461","","","0.0911","0.1054","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016432","10.832","0.0018","10.9131","0.0019","16.47","0.003","77.302","0.011","74.481","0.012","63.112","0.011","1662","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(melamin-1-ium) naphthalene-1,5-disulfonate melamine pentahydrate","","- C19 H36 N18 O11 S2 -","- C19 H36 N18 O11 S2 -","- C38 H72 N36 O22 S4 -","2","1","GD3182","Jan Janczak; Genivaldo Júlio Perpétuo","Three-dimensional hydrogen-bonded framework in bis(melamin-1-ium) naphthalene-1,5-disulfonate melamine pentahydrate","Acta Crystallographica Section C","2008","64","2","o91","o94","10.1107/S0108270108000462","","","0.71073","MoKα","","0.157","0.0484","","","0.0763","0.0883","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016433","15.5459","0.0016","6.1017","0.0006","25.163","0.003","90","","100.539","0.002","90","","2346.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone","","- C28 H33 N3 O -","- C28 H33 N3 O -","- C112 H132 N12 O4 -","4","1","GG3130","Vladimir N. Nesterov; Lev N. Zakharov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials","Acta Crystallographica Section C","2008","64","2","o73","o75","10.1107/S0108270107067741","","","0.71073","MoKα","","0.0701","0.0467","","","0.1077","0.1224","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016434","25.786","0.002","10.0852","0.0008","8.2389","0.0007","90","","90","","90","","2142.6","0.3","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","0.5","GG3130","Vladimir N. Nesterov; Lev N. Zakharov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials","Acta Crystallographica Section C","2008","64","2","o73","o75","10.1107/S0108270107067741","","","0.71073","MoKα","","0.0551","0.0402","","","0.0889","0.0967","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016435","15.6634","0.0016","5.5531","0.0005","17.6928","0.0018","90","","116.315","0.008","90","","1379.4","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cyclopentadecanone","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","GZ3125","Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.","Cyclopentadecanone","Acta Crystallographica Section C","2008","64","2","o67","o68","10.1107/S0108270107066139","","","1.54178","CuKα","","0.071","0.059","","","0.155","0.164","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016436","10.3214","0.0016","16.474","0.002","23.812","0.002","90","","90","","90","","4048.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[μ-6,6'-dimethoxy-2,2'-[propane-1,2-\ diylbis(iminomethylene)]diphenolato]bis[aquacopper(II)] dihydrate","","- C38 H56 Cu2 N4 O12 -","- C38 H56 Cu2 N4 O12 -","- C152 H224 Cu8 N16 O48 -","4","0.5","HJ3052","Liu, Y.-F.; Xia, H.-T.; Yang, Shu-Ping; Wang, Da-Qi","Bis{μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(iminomethylene)]diphenolato}bis[aquacopper(II)] dihydrate","Acta Crystallographica Section C","2008","64","2","m91","m93","10.1107/S0108270107049311","","","0.71073","MoKα","","0.0817","0.0421","","","0.0957","0.1176","","","","","","1.004","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2016437","8.987","0.004","14.075","0.006","16.208","0.007","90","","95.913","0.006","90","","2039.3","1.5","291","","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2- yl)glycinato]copper(II) dimethylformamide disolvate","","- C40 H42 Cu N8 O8 -","- C40 H42 Cu N8 O8 -","- C80 H84 Cu2 N16 O16 -","2","0.5","HJ3059","Sieroń, Lesław; Kieć-Kononowicz, Katarzyna; Karolak-Wojciechowska, Janina","Four- and five-coordinate copper(II) complexes with <i>N</i>-(4,4-diphenyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)glycine","Acta Crystallographica Section C","2008","64","2","m79","m82","10.1107/S0108270107055965","","","0.71073","MoKα","","0.069","0.0505","","","0.1238","0.1297","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016438","8.7305","0.0003","30.0213","0.0005","9.0447","0.0002","90","","118.102","0.004","90","","2091.15","0.12","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","aquabis[N-(4,4-diphenyl-5-oxo-4,5-dihydro-1H-imidazol-2- yl)glycinato]copper(II) dimethylformamide disolvate","","- C40 H44 Cu N8 O9 -","- C40 H44 Cu N8 O9 -","- C80 H88 Cu2 N16 O18 -","2","1","HJ3059","Sieroń, Lesław; Kieć-Kononowicz, Katarzyna; Karolak-Wojciechowska, Janina","Four- and five-coordinate copper(II) complexes with <i>N</i>-(4,4-diphenyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)glycine","Acta Crystallographica Section C","2008","64","2","m79","m82","10.1107/S0108270107055965","","","0.71073","MoKα","","0.031","0.0259","","","0.0637","0.0662","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016439","6.192","0.0015","9.192","0.002","10.546","0.002","73.69","0.02","85.634","0.017","82.83","0.03","571.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-1-(4-methoxybenzoyl)-3-methylpyrazole","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","HJ3064","Quiroga, Jairo; Portilla, Jaime; Low, John N.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","Acta Crystallographica Section C","2008","64","2","o76","o79","10.1107/S0108270107067522","","","0.71073","MoKα","","0.0757","0.0496","","","0.1189","0.1423","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016440","11.4212","0.0015","7.1787","0.0014","13.2595","0.001","90","","90","","90","","1087.1","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","HJ3064","Quiroga, Jairo; Portilla, Jaime; Low, John N.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","Acta Crystallographica Section C","2008","64","2","o76","o79","10.1107/S0108270107067522","","","0.71073","MoKα","","0.0453","0.0385","","","0.0906","0.097","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016441","6.609","0.003","10.322","0.005","11.714","0.005","90","","92.04","0.05","90","","798.6","0.6","110","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium cis-tetrachloridodioxidorhenate(VII)'","","- Cl4 Cs O2 Re -","- Cl4 Cs O2 Re -","- Cl16 Cs4 O8 Re4 -","4","1","IZ3041","Hołyńska, Małgorzata; Lis, Tadeusz","Caesium <i>cis</i>-tetrachloridodioxidorhenate(VII)","Acta Crystallographica Section C","2008","64","2","i18","i20","10.1107/S0108270107067996","","","0.71073","MoKα","","0.0879","0.0322","","","0.0308","0.0339","","","","","","0.771","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016442","13.6695","0.0009","11.5996","0.0008","17.1524","0.0012","90","","93.673","0.001","90","","2714.1","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[μ-4,4'-(methylenedithio)dipyridine-κ^2^<i>N</i>:<i>N</i>'- μ-iodido-copper(I)]","","- C11 H10 Cu I N2 S2 -","- C11 H10 Cu I N2 S2 -","- C88 H80 Cu8 I8 N16 S16 -","8","1","LN3073","Zhang, Lei; Xie, Han-Yuan; Shi, Wen-Juan","A twofold parallel interpenetration network from the assembly of a flexible spacer and CuI: poly[μ-iodido-μ-4,4'-(methylenedithio)dipyridine-κ^2^<i>N</i>:<i>N</i>'-copper(I)]","Acta Crystallographica Section C","2008","64","2","m76","m78","10.1107/S0108270107064669","","","0.71073","MoKα","","0.0259","0.0229","","","0.0549","0.0563","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016443","13.7461","0.0018","23.674","0.003","26.781","0.003","90","","90","","90","","8715.2","1.9","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>){5,10,15,20- tetrakis[(1<i>S</i>,4<i>R</i>,5<i>R</i>,8<i>S</i>)-1,2,3,4,5,6,7,8-octahydro- 1,4:5,8-dimethanoanthracen-9-yl]porphyrinato-κ^4^<i>N</i>}ruthenium(II)‒ ethanol‒dichloromethane (1/2/2)","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0661","0.0572","","","0.1275","0.1343","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016444","13.7694","0.0015","23.691","0.003","26.794","0.003","90","","90","","90","","8740.5","1.8","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>)[5,10,15,20-tetrakis-\ {(1<i>R</i>,4<i>S</i>,5<i>S</i>,8<i>R</i>)-1,2,3,4,5,6,7,8-octahydro-1,4:5,\ 8-dimethanoanthracen-9-yl}porphyrinato-κ^4^<i>N</i>]ruthenium(II) dichloromethane disolvate ethanol disolvate","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0586","0.0517","","","0.1182","0.1234","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016445","4.5536","0.0004","6.001","0.0007","15.011","0.002","99.025","0.011","90.581","0.011","98.832","0.011","400.06","0.08","295","","295","","","","","","","","","5","P -1","-P 1","2","","3-carboxyanilinium bromide","","- C7 H8 Br N O2 -","- C7 H8 Br N O2 -","- C14 H16 Br2 N2 O4 -","2","1","LN3083","Dominik Cinčić; Branko Kaitner","Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide","Acta Crystallographica Section C","2008","64","2","o101","o104","10.1107/S0108270108001078","","","0.71073","MoKα","","0.0359","0.0291","","","0.0738","0.0772","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016446","11.1815","0.0006","23.1582","0.0008","6.9066","0.0004","90","","90","","90","","1788.42","0.15","295","","295","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","3-carboxyanilinium iodide","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C56 H64 I8 N8 O16 -","8","1","LN3083","Dominik Cinčić; Branko Kaitner","Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide","Acta Crystallographica Section C","2008","64","2","o101","o104","10.1107/S0108270108001078","","","0.71073","MoKα","","0.0382","0.0301","","","0.0714","0.0783","","","","","","1.248","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016447","9.4531","0.0019","10.869","0.002","14.1","0.003","87.86","0.03","73.28","0.03","84.63","0.03","1381.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^N,N')(benzene-1,3,5-tricarboxylic acid-O)cadmium(II)]-μ-oxalato] 1<i>H</i>-benzotriazole solvate monohydrate]","","- C29 H21 Cd N5 O11 -","- C29 H21 Cd N5 O11 -","- C58 H42 Cd2 N10 O22 -","2","1","SF3065","Chao Qin; Xin-Long Wang; En-Bo Wang","<i>catena</i>-Poly[[[(benzene-1,3,5-tricarboxylic acid)(1,10-phenanthroline)cadmium(II)]-μ-oxalato] 1<i>H</i>-benzotriazole solvate monohydrate]","Acta Crystallographica Section C","2008","64","2","m73","m75","10.1107/S0108270107064578","","","0.71073","MoKα","","0.0963","0.0563","","","0.1027","0.1191","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016448","7.166","0.002","6.3924","0.0016","18.518","0.004","90","","96.876","0.012","90","","842.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-<i>O</i>-β-L-fucopyranosyl α-D-glucopyranoside monohydrate","","- C13 H26 O11 -","- C13 H26 O11 -","- C26 H52 O22 -","2","1","SF3069","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 2-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside monohydrate: a synchrotron study","Acta Crystallographica Section C","2008","64","2","o31","o32","10.1107/S0108270107059756","","","0.872","synchrotron","","0.0455","0.045","","","0.1197","0.1201","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016449","12.8417","0.0018","10.8158","0.0016","21.79","0.004","90","","100.106","0.005","90","","2979.5","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[2-(3-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","","- C39 H36 B N O -","- C39 H36 B N O -","- C156 H144 B4 N4 O4 -","4","1","SK3171","Dan Jin; Zhao-Fu Dai; De-Chun Zhang","4-[2-(3-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2008","64","2","o50","o52","10.1107/S0108270107065286","","","0.7107","MoKα","","0.0973","0.0691","","","0.1325","0.1437","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016450","14.0905","0.0002","23.9088","0.0003","14.2504","0.0002","90","","98.7921","0.0007","90","","4744.36","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate","","- C48 H46 Cl4 Co2 N8 O7 -","- C48 H42 Cl4 Co2 N8 O7 -","- C192 H168 Cl16 Co8 N32 O28 -","4","1","SK3176","Janice M. Rubin-Preminger; Leonid Kozlov; Israel Goldberg","Hydrogen-bonding and π‒π stacking interactions in aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate","Acta Crystallographica Section C","2008","64","2","m83","m86","10.1107/S0108270107064803","","","0.71073","MoKα","","0.1148","0.0621","","","0.1515","0.1789","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016451","10.132","0.001","9.887","0.002","12.169","0.004","90","","107.46","0.02","90","","1162.9","0.5","173","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Diethoxy-1,4-bis[(trimethylsilyl)ethynyl]benzene","","- C20 H30 O2 Si2 -","- C20 H30 O2 Si2 -","- C40 H60 O4 Si4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.0481","","","","0.1752","","","","","","0.761","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016452","9.748","0.002","8.89","0.002","7.566","0.002","90","","112.74","0.03","90","","604.7","0.3","173","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Diethoxy-1,4-diethynylbenzene","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.0381","","","","0.0949","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016453","6.7246","0.0002","16.7456","0.0005","9.8026","0.0003","90","","97.32","0.002","90","","1094.85","0.06","173","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Diethynyl-2,5-bis(heptyloxy)benzene","","- C24 H34 O2 -","- C24 H34 O2 -","- C48 H68 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.044","","","","0.1066","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016454","11.854","0.0002","11.854","0.0002","15.1708","0.0005","90","","90","","90","","2131.76","0.09","298","2","298","2","","","","","","","","6","I -4 2 m","I -4 2","121","Potassium cadmium(II) pentadicyanamide tetrahydrate","poly[potassium [diaquapenta-μ~2~-dicyanamidato-dicadmium(II)] dihydrate]","","- C10 H8 Cd2 K N15 O4 -","- C10 H8 Cd2 K N15 O4 -","- C40 H32 Cd8 K4 N60 O16 -","4","0.25","SK3182","Schlueter, John A.; Geiser, Urs; Funk, Kylee A.","KCd~2~[N(CN)~2~]~5~(H~2~O)~4~: an enmeshed honeycomb grid","Acta Crystallographica Section C","2008","64","2","i9","i11","10.1107/S0108270107061628","","","0.71073","MoKα","","0.0135","0.013","","","0.0333","0.0338","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016455","13.0192","0.0004","6.0581","0.0002","16.3514","0.0004","90","","103.915","0.002","90","","1251.81","0.07","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dom1","2-(2-tert-butylcyclohex-3-enyl)propan-2-ol","","- C13 H24 O -","- C13 H24 O -","- C52 H96 O4 -","4","1","SK3183","Kakou-Yao, Rita; Sessouma, Bintou; Aycard, Jean Pierre","An axial <i>tert</i>-butyl group in strained cyclohexene: X-ray analysis and theoretical calculations of 2-(2-<i>tert</i>-butylcyclohex-3-enyl)propan-2-ol","Acta Crystallographica Section C","2008","64","2","o61","o63","10.1107/S0108270107065468","","","0.71073","MoKα","","0.0872","0.0567","","0.1246","0.1047","0.1047","","","","","","0.9125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016456","10.0953","0.0005","13.5645","0.0008","21.8864","0.0014","81.731","0.005","86.437","0.005","71.422","0.005","2810.9","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","{2-[(2-hydroxyethyl)iminiomethyl]phenolato-κO}dioxido(2-[(2-\ oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O')molybdenum(VI)","","- C18 H20 Mo N2 O6 -","- C18 H20 Mo N2 O6 -","- C108 H120 Mo6 N12 O36 -","6","3","SK3193","Agustin, Dominique; Jean-Claude Daran; Poli, Rinaldo","Polymorph of {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κ<i>O</i>}dioxido{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}molybdenum(VI)","Acta Crystallographica Section C","2008","64","2","m101","m104","10.1107/S0108270108000127","","","0.71073","MoKα","","0.0551","0.0393","","","0.0988","0.1051","","","","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016457","6.3201","0.0007","5.2972","0.0008","19.429","0.002","90","","95.084","0.009","90","","647.9","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-propyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.0595","0.0405","","","0.0818","0.0871","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016458","5.2833","0.0007","6.3043","0.0008","38.753","0.006","90","","90","","90","","1290.8","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-propyl-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.089","0.0462","","","0.0963","0.1077","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016459","21.561","0.0016","7.2378","0.0005","12.152","0.0009","90","","92.58","0.001","90","","1894.4","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","adamantane-1,3-dicarboxylic acid‒4,4'-bipyridine (1/1)","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","0.5","SQ3107","Pan, Yue; Li, Kunhao; Bi, Wenhua; Li, Jing","Cocrystallization of adamantane-1,3-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2008","64","2","o41","o43","10.1107/S0108270107058672","","","0.71073","MoKα","","0.0554","0.0481","","","0.1147","0.1206","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016460","4.9351","0.001","4.9351","0.001","18.38","0.004","90","","90","","120","","387.68","0.14","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","lithium copper aluminide","","- Al4.84 Cu13.16 Li8 -","- Al4.844 Cu13.156 Li8 -","- Al4.844 Cu13.156 Li8 -","1","0.0416667","SQ3108","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Pauly, Hermann; Ehrenberg, Helmut","Li~8~Cu~12+<i>x~</i>Al~6{-~<i>x</i>} (<i>x</i> = 1.16): a new structure type related to Laves phases","Acta Crystallographica Section C","2008","64","2","i15","i17","10.1107/S0108270107065985","","","0.71073","MoKα","","0.0514","0.0274","","","0.0526","0.0581","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016461","5.0667","0.0007","5.055","0.0007","12.3975","0.0015","90","","97.63","0.013","90","","314.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","iron(III) oxyfluorotellurates(IV)","","- F Fe O3 Te -","- F Fe O3 Te -","- F4 Fe4 O12 Te4 -","4","1","SQ3115","Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe","New oxyfluorotellurates(IV): <i>M</i>TeO~3~F (<i>M</i> = Fe^III^, Ga^III^ and Cr^III^)","Acta Crystallographica Section C","2008","64","2","i12","i14","10.1107/S0108270107062683","","","0.71073","MoKα","","0.0373","0.0209","","","0.0333","0.036","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016462","5.0625","0.0007","4.9873","0.0007","12.1662","0.0015","90","","97.952","0.013","90","","304.22","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","gallium(III) oxyfluorotellurates(IV)","","- F Ga O3 Te -","- F Ga O3 Te -","- F4 Ga4 O12 Te4 -","4","1","SQ3115","Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe","New oxyfluorotellurates(IV): <i>M</i>TeO~3~F (<i>M</i> = Fe^III^, Ga^III^ and Cr^III^)","Acta Crystallographica Section C","2008","64","2","i12","i14","10.1107/S0108270107062683","","","0.71073","MoKα","","0.0191","0.0173","","","0.0416","0.042","","","","","","1.207","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016463","12.9088","0.0015","7.5727","0.0006","9.6922","0.0011","90","","102.051","0.013","90","","926.58","0.17","183","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dinitrosylbis(glycinato-κ^2^<i>N</i>,<i>O</i>)molybdenum(IV)","","- C4 H8 Mo N4 O6 -","- C4 H8 Mo N4 O6 -","- C16 H32 Mo4 N16 O24 -","4","1","SQ3117","Bucher, Jolanta; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","Bis(glycinato-κ^2^<i>N</i>,<i>O</i>)dinitrosylmolybdenum(0) and bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(0) acetonitrile monosolvate","Acta Crystallographica Section C","2008","64","2","m87","m90","10.1107/S0108270107065584","","","0.71073","MoKα","","","0.0209","","","","0.0509","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016464","8.866","0.0007","8.598","0.0007","18.0218","0.0016","90","","102.487","0.01","90","","1341.3","0.2","183","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(IV) acetonitrile monosolvate","","- C6 H15 Mo N5 O2 S2 -","- C6 H15 Mo N5 O2 S2 -","- C24 H60 Mo4 N20 O8 S8 -","4","1","SQ3117","Bucher, Jolanta; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","Bis(glycinato-κ^2^<i>N</i>,<i>O</i>)dinitrosylmolybdenum(0) and bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(0) acetonitrile monosolvate","Acta Crystallographica Section C","2008","64","2","m87","m90","10.1107/S0108270107065584","","","0.71073","MoKα","","0.0564","0.0491","","","0.1375","0.1449","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016465","27.022","0.003","9.114","0.001","17.005","0.003","90","","118.116","0.01","90","","3693.8","0.9","297","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[<i>N</i>-benzoyl-<i>N</i>'-(2-hydroxyethyl)-\ <i>N</i>''-(2-pyridyl)guanidine]chloridocopper(II)] chloride monohydrate]","","- C15 H17.22 Cl2 Cu N4 O2.61 -","- C15 H16 Cl2 Cu N4 O2.61 -","- C120 H128 Cl16 Cu8 N32 O20.88 -","8","1","SU3009","Sabino, Jose R.; Cunha, Silvio; Souza, Aparecido R.; Quintino, Michelle P.","<i>catena</i>-Poly[[[1-benzoyl-2-(2-hydroxyethyl)-3-(2-pyridyl)guanidine]chloridocopper(II)] chloride 0.61-hydrate]","Acta Crystallographica Section C","2008","64","2","m94","m96","10.1107/S0108270107067042","","","1.5418","CuKα","","0.0537","0.0476","","","0.1336","0.1384","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016466","3.8276","0.0005","7.1042","0.0009","23.238","0.003","90","","91.151","0.002","90","","631.76","0.14","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C30 H20 Cl2 N6 -","2","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.082","0.066","","","0.153","0.162","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016467","4.6904","0.0007","5.9498","0.0007","11.4426","0.0016","98.361","0.002","93.317","0.002","96.823","0.001","312.78","0.07","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.046","0.045","","0.117","","0.116","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016468","4.6963","0.0012","6.0023","0.0015","11.585","0.003","99.493","0.01","93.767","0.01","96.629","0.009","318.74","0.14","174","2","174","2","","","","","","","","4","P 1","P 1","1","","4-(4-Bromobenzylidenehydrazono)benzonitrile","","- C15 H10 Br N3 -","- C15 H10 Br N3 -","- C15 H10 Br N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.025","0.025","","","0.064","0.064","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016469","4.7165","0.0003","6.1524","0.0004","11.9054","0.0008","101.271","0.002","94.588","0.002","96.038","0.003","335.13","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","","4-(4-Iodobenzylidenehydrazono)benzonitrile","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C15 H10 I N3 -","1","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.023","0.023","","","0.059","0.059","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016470","8.2616","0.0018","8.2616","0.0018","17.517","0.004","90","","90","","90","","1195.6","0.5","170","2","170","2","","","","","","","","4","P 41","P 4w","76","","5-Hydroxymethyl-7,7,N-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","TR3030","Foces-Foces, C.; López-Rodríguez, M.; Pérez, C.","A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5-hydroxymethyl-7,7,<i>N</i>-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","Acta Crystallographica Section C","2008","64","2","o95","o97","10.1107/S010827010706862X","","","0.71073","MoKα","","0.0576","0.0504","","","0.1374","0.1423","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016471","12.46443","0.00001","11.02991","0.00007","21.60929","0.00004","90","","90","","90","","2970.88","0.02","110","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","","- C13 H18 N4 O3 S -","- C13 H18 N4 O3 S -","- C104 H144 N32 O24 S8 -","8","1","TR3035","Lutz, Martin; Spek, Anthony L.; Geer, Erwin P. L. van der; Koten, Gerard van; Klein Gebbink, Robertus J. M.","Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","Acta Crystallographica Section C","2008","64","2","o87","o90","10.1107/S0108270108000668","","","0.71073","MoKα","","0.0381","0.0195","","","","0.0107","","","","","","2.0292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016472","8.6631","0.0017","10.144","0.002","10.569","0.002","79.73","0.03","78.02","0.03","87.08","0.03","893.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","{μ-N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)-\ κ^6^N,N',O':N'',N''',O}bis[(2,2'-bipyridine-κ^2^N,N')copper(II)] bis(perchlorate)","","- C30 H36 Cl2 Cu2 N8 O10 -","- C30 H36 Cl2 Cu2 N8 O10 -","- C30 H36 Cl2 Cu2 N8 O10 -","1","0.5","AV3130","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Zhang, Shu-Fang; Yin, Zhi-Wei","{μ-<i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(perchlorate)","Acta Crystallographica Section C","2008","64","3","m108","m110","10.1107/S0108270107067558","","","0.71073","MoKα","","0.0442","0.0379","","","0.1045","0.1097","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016473","14.817","0.008","13.701","0.008","22.224","0.013","90","","108.807","0.011","90","","4271","4","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[(E)-(4-hydroxy-3-methoxyphenyl)methylene]amino}- N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3- carboxamide","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","AV3133","Vasu; Nirmala, K. A.; Chopra, Deepak; Lakshman, M. D.; Saravanan, J.","2-[(<i>E</i>)-(4-Hydroxy-3-methoxybenzylidene)amino]-<i>N</i>-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section C","2008","64","3","o184","o186","10.1107/S0108270108001133","","","0.71073","MoKα","","0.0908","0.0528","","","0.1211","0.1335","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016474","7.2486","0.0014","8.3234","0.0015","17.731","0.003","103.419","0.012","94.044","0.009","97.017","0.013","1027.3","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","Cyclopentadecanone 2,4-dinitrophenylhydrazone","","- C21 H32 N4 O4 -","- C21 H32 N4 O4 -","- C42 H64 N8 O8 -","2","1","AV3135","Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.","Cyclopentadecanone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2008","64","3","o139","o141","10.1107/S0108270108002898","","","0.71073","MoKα","","0.091","0.051","","","0.092","0.104","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016475","11.536","0.001","6.7868","0.0007","8.3073","0.0009","90","","90","","90","","650.4","0.11","298","","298","","101","","101","","","","","4","P c a 21","P 2c -2ac","29","","Poly[μ-2-aminopyrazine-κ^2^N^1^:N^4^-μ-cyanido-copper(I)]","","- C5 H5 Cu N4 -","- C5 H5 Cu N4 -","- C20 H20 Cu4 N16 -","4","1","FA3122","Pagola, Silvina; Pike, Robert D.; deKrafft, Kathryn; Tronic, Tristan A.","Poly[μ-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^-μ-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data","Acta Crystallographica Section C","2008","64","3","m134","m136","10.1107/S010827010800231X","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0834","1.72","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016476","7.3076","0.0002","11.1899","0.0005","13.9875","0.0006","74.652","0.002","84.472","0.002","73.641","0.002","1058.04","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(2,6-Diacetylpyridine bis{[2-(hydroxyimino)propanoyl]hydrazone}(2-)]nickel(II) dimethyl sulfoxide solvate monohydrate","","- C17 H25 N7 Ni O6 S -","- C17 H25 N7 Ni O6 S -","- C34 H50 N14 Ni2 O12 S2 -","2","1","FA3126","Plutenko, Maxym V.; Moroz, Yurii S.; Sliva, Tetyana Yu.; Haukka, Matti; Fritsky, Igor O.","A square-planar Ni^II^ complex with an asymmetric coordination of a novel polynucleative 2,6-diacetylpyridine bis{[2-(hydroxyimino)propanoyl]hydrazone} ligand","Acta Crystallographica Section C","2008","64","3","m137","m139","10.1107/S0108270108003065","","","0.71073","MoKα","","0.0849","0.0507","","","0.0955","0.109","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016477","3.832","0.0017","21.4002","0.0012","7.8301","0.0014","90","","108.339","0.01","90","","609.5","0.3","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-Dinitro-2,2'-dithiodipyridine","","- C10 H6 N4 O4 S2 -","- C10 H6 N4 O4 S2 -","- C20 H12 N8 O8 S4 -","2","0.5","FA3134","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","3,3'-Dinitro-2,2'-dithiodipyridine","Acta Crystallographica Section C","2008","64","3","o117","o118","10.1107/S0108270108001716","","","0.71073","MoKα","","","0.0501","","","","0.1001","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016478","6.6449","0.0003","8.7262","0.0003","9.4092","0.0002","76.39","0.003","81.079","0.002","82.654","0.004","521.48","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-[6-amino-3-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydropyrimidin- 5-ylcarbonyl]acetonitrile","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C18 H20 N8 O4 S2 -","2","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.054","0.0385","","","0.0956","0.1067","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016479","22.488","0.003","5.0709","0.0005","18.6139","0.0017","90","","116.956","0.007","90","","1892","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5- ylcarbonyl)acetonitrile","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C72 H80 N32 O24 -","8","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0733","0.0482","","","0.1168","0.1363","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016480","17.106","0.003","11.8218","0.0013","13.7187","0.0019","90","","127.836","0.008","90","","2191","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-cyano-<i>N</i>-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C72 H80 N32 O16 S8 -","8","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0519","0.0401","","","0.1006","0.1111","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016481","12.8655","0.0007","8.439","0.0002","9.9327","0.0015","90","","108.827","0.013","90","","1020.71","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-cyano-<i>N</i>-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]acetamide","","- C8 H7 Cl N4 O S -","- C8 H7 Cl N4 O S -","- C32 H28 Cl4 N16 O4 S4 -","4","1","GA3078","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2008","64","3","o149","o154","10.1107/S0108270108003557","","","0.71073","MoKα","","0.0925","0.0606","","","0.1476","0.175","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016482","9.3145","0.0008","12.3555","0.001","20.828","0.0017","105.475","0.002","96.33","0.003","93.276","0.002","2286.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Rosiglitazone maleate 0.25-hydrate","(±)-5-(4-{2-[methyl(2-pyridyl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione maleate 0.25-hydrate","","- C22 H47 N3 O7.25 S -","- C22 H23.5 N3 O7.25 S -","- C88 H94 N12 O29 S4 -","4","2","GD3164","Cuffini, Silvia L.; Faudone, Sonia; Ferro, Maribel; Garland, María Teresa; Baggio, Ricardo","Rosiglitazone maleate 0.25-hydrate: a pseudopolymorphic form","Acta Crystallographica Section C","2008","64","3","o119","o122","10.1107/S0108270107054443","","","0.71073","MoKα","","0.1302","0.0625","","","0.1318","0.1538","","","","","","0.951","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2016483","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","GD3183","Omondi, Bernard; Fernandes, Manuel A.; Layh, Marcus; Levendis, Demetrius C.","Cocrystal of <i>cis</i>- and <i>trans</i>-<i>N</i>-phenylformamide","Acta Crystallographica Section C","2008","64","3","o137","o138","10.1107/S0108270108002746","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016484","6.8915","0.0003","7.2887","0.0002","30.8009","0.0008","90","","90","","90","","1547.13","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen 4,5-dichlorophthalate","8-hydroxyquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H11 Cl2 N O5 -","- C17 H11 Cl2 N O5 -","- C68 H44 Cl8 N4 O20 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","1.54184","CuKα","","0.0363","0.0357","","","0.0981","0.0985","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016485","7.2003","0.0006","7.3039","0.0006","29.438","0.003","90","","90","","90","","1548.2","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-aminoquinolinium hydrogen 4,5-dichlorophthalate","8-aminoquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H12 Cl2 N2 O4 -","- C17 H12 Cl2 N2 O4 -","- C68 H48 Cl8 N8 O16 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","0.71073","MoKα","","0.0301","0.029","","","0.0726","0.0732","","","","","","1.075","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016486","7.1893","0.0009","10.1172","0.0013","19.52","0.003","87.558","0.002","88.577","0.002","83.996","0.002","1410.4","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","2-carboxyquinolinium hydrogen 4,5-dichlorophthalate quinaldic acid monohydrate","2-carboxyquinolinium 2-carboxy-4,5-dichlorobenzoate quinolinium 2-carboxylate monohydrate","","- C28 H20 Cl2 N2 O9 -","- C28 H20 Cl2 N2 O9 -","- C56 H40 Cl4 N4 O18 -","2","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","0.71073","MoKα","","0.0668","0.0587","","","0.1538","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016487","5.404","0.0002","10.7114","0.0004","16.5003","0.0005","90","","94.079","0.003","90","","952.69","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-bis(benzimidazol-1-ylmethyl)benzene dihydrate","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C44 H44 N8 O4 -","2","0.5","GD3187","Wu, Chuan-Mei; Liang, Bing","Assembly of a two-dimensional layer structure with 1,4-bis(1<i>H</i>-benzimidazol-1-ylmethyl)benzene dihydrate <i>via</i> hydrogen bonds and π‒π interactions","Acta Crystallographica Section C","2008","64","3","o142","o144","10.1107/S0108270108002175","","","0.71073","MoKα","","0.0685","0.0431","","","0.113","0.1199","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016488","13.505","0.002","5.38","0.001","14.111","0.003","90","","95.05","0.02","90","","1021.3","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(Diaminomethylene)thiourea","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C16 H48 N32 S8 -","8","1","GD3190","Janczak, Jan; Perpétuo, Genivaldo Júlio","1-(Diaminomethylene)thiourea: a tautomer of 2-imino-4-thiobiuret","Acta Crystallographica Section C","2008","64","3","o114","o116","10.1107/S0108270108001868","","","0.71073","MoKα","","0.0283","0.0223","","","0.0484","0.0506","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016489","35.798","0.007","7.319","0.001","21.459","0.004","90","","118.96","0.03","90","","4919","2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile","","- C14 H10 N6 -","- C14 H10 N6 -","- C224 H160 N96 -","16","2","GD3192","Janczak, Jan","Wave-like structure in 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-naphthonitrile","Acta Crystallographica Section C","2008","64","3","o159","o161","10.1107/S0108270108003831","","","0.71073","MoKα","","0.0839","0.045","","","0.0543","0.0714","","","","","","1.038","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016490","4.7547","0.0001","7.5121","0.0002","8.5626","0.0002","115.691","0.001","90.266","0.001","104.957","0.001","263.87","0.011","105","2","105","2","","","","","","","","4","P 1","P 1","1","","L-Seryl-L-asparagine monohydrate","","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","- C7 H15 N3 O6 -","1","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0254","0.0253","","","0.0668","0.0669","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016491","15.348","0.0009","17.8805","0.0011","4.7728","0.0003","90","","90","","90","","1309.8","0.14","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Seryl-L-tyrosine monohydrate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0521","0.0379","","","0.088","0.1016","","","","","","1.136","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016492","6.5613","0.0005","9.1474","0.0007","12.5052","0.0009","90","","101.973","0.001","90","","734.22","0.1","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Tryptophanyl-L-serine monohydrate","","- C14 H19 N3 O5 -","- C14 H19 N3 O5 -","- C28 H38 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0449","0.0363","","","0.0844","0.0908","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016493","5.7309","0.0003","8.196","0.0004","19.0952","0.0009","90","","91.694","0.001","90","","896.52","0.08","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-tyrosyl-L-tryptophane monohydrate","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C40 H46 N6 O10 -","2","1","GG3137","Görbitz, Carl Henrik; Hartviksen, Lars Male","The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan","Acta Crystallographica Section C","2008","64","3","o171","o176","10.1107/S0108270108004228","","","0.71073","MoKα","","0.0346","0.0306","","","0.0772","0.0798","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016494","15.5576","0.0011","10.1598","0.0007","12.5487","0.0009","90","","90","","90","","1983.5","0.2","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')zinc(II)","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","0.5","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.0351","0.0302","","","0.0762","0.0795","","","","","","1.087","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016495","8.1594","0.0003","15.3466","0.0006","15.5582","0.0006","90","","90","","90","","1948.18","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(acetylacetonato-κ^2^O,O')(2,2'-bipyridine-κ^2^N,N')zinc(II)","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.024","0.0224","","","0.0517","0.0525","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016496","17.873","0.002","7.9729","0.001","13.3054","0.0016","90","","98.198","0.002","90","","1876.6","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(phenylazo)anilinium hydrogen 3-nitrophthalate","4-(phenyldiazenyl)anilinium 2-carboxy-6-nitrobenzoate","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.0458","0.0392","","","0.0966","0.1001","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016497","12.95","0.003","7.5571","0.0018","19.364","0.005","90","","100.371","0.005","90","","1864.1","0.8","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","4-phenylazoanilinium hydrogen 4-nitrophthalate","4-(phenyldiazenyl)anilinium 2-carboxy-4-nitrobenzoate","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.0545","0.0459","","","0.0923","0.0961","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016498","14.0965","0.0015","6.7602","0.0007","43.091","0.005","90","","90","","90","","4106.4","0.8","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(phenylazo)anilinium hydrogen 5-nitroisophthalate monohydrate","4-(phenyldiazenyl)anilinium 3-carboxy-5-nitrobenzoate monohydrate","","- C20 H18 N4 O7 -","- C20 H18 N4 O7 -","- C160 H144 N32 O56 -","8","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.106","0.0846","","","0.204","0.2109","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016499","10.5578","0.0009","11.1532","0.0007","9.1833","0.0007","106.707","0.002","95.809","0.001","124.367","0.005","806.04","0.12","295","2","295","","","","","","","","Synthetic","4","P -1","-P 1","2","","Disodium hexamanganese(II,III) germanate","","- Ge6 Mn5.26 Na2.74 O20 -","- Ge6 Mn5.26 Na2.74 O20 -","- Ge12 Mn10.52 Na5.48 O40 -","2","1","IZ3033","Redhammer, Günther J.; Roth, Georg; Topa, Dan; Amthauer, Georg","Synthetic aenigmatite analog Na~2~(Mn~5.26~Na~0.74~)Ge~6~O~20~: structure and crystal chemical considerations","Acta Crystallographica Section C","2008","64","3","i21","i26","10.1107/S0108270107068011","","","0.71073","MoKα","","","0.0423","","","","0.0821","","","","","","0.953","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016500","8.9779","0.0001","11.4442","0.0002","15.0673","0.0003","90","","90","","90","","1548.09","0.04","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","calcium pentamolybdenum titanium decaoxide","","- Ca Mo5.38 O10 Ti0.62 -","- Ca Mo5.382 O10 Ti0.618 -","- Ca8 Mo43.056 O80 Ti4.944 -","8","1","IZ3044","Gougeon, P.; Gall, P.","The disordered cluster compound CaMo~5~(Mo~0.38~Ti~0.62~)O~10~","Acta Crystallographica Section C","2008","64","3","i30","i32","10.1107/S0108270108002989","","","0.71069","MoKα","","0.0675","0.0354","","","0.0496","0.0568","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016501","8.076","0.003","15.482","0.005","15.636","0.005","60.751","0.006","84.929","0.006","83.967","0.006","1694.8","1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","13-<i>cis</i>-β,β-Carotene","13-<i>cis</i>-β,β-Carotene","","- C40 H56 -","- C40 H56 -","- C80 H112 -","2","1","JZ3117","Bartalucci, Giuditta; Delroy, Charles; Fisher, Stuart; Helliwell, Madeleine; Liaaen-Jensen, Synnøve","13-<i>cis</i>-β,β-Carotene and 15-<i>cis</i>-β,β-carotene","Acta Crystallographica Section C","2008","64","3","o128","o131","10.1107/S0108270108001583","","","0.71073","MoKα","","0.1046","0.0494","","","0.1027","0.1134","","","","","","0.832","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016502","17.6168","0.0013","11.5544","0.0009","17.4124","0.0013","90","","108.084","0.001","90","","3369.2","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","15-<i>cis</i>-β,β-carotene","15-<i>cis</i>-β,β-carotene","","- C40 H56 -","- C40 H56 -","- C160 H224 -","4","0.5","JZ3117","Bartalucci, Giuditta; Delroy, Charles; Fisher, Stuart; Helliwell, Madeleine; Liaaen-Jensen, Synnøve","13-<i>cis</i>-β,β-Carotene and 15-<i>cis</i>-β,β-carotene","Acta Crystallographica Section C","2008","64","3","o128","o131","10.1107/S0108270108001583","","","0.71073","MoKα","","0.0452","0.0394","","","0.1078","0.1113","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016503","13.6578","0.0014","14.764","0.0006","18.53","0.0011","68.701","0.003","86.357","0.006","86.228","0.005","3470.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","syn-Tri-μ-chlorido-bis{[(R,R)/(S,S)-2,2'-bis(diphenylphosphino)-1,1'- biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate","","- C74 H62 B Cl7 F4 Ir2 P4 -","- C74 H62 B Cl7 F4 Ir2 P4 -","- C148 H124 B2 Cl14 F8 Ir4 P8 -","2","1","JZ3123","Dahlenburg, Lutz; Heinemann, Frank W.; Kramer, Dagmar; Menzel, Ralf","<i>syn</i>-Tri-μ-chlorido-bis{[(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-bis(diphenylphosphino)-1,1'-biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate","Acta Crystallographica Section C","2008","64","3","m144","m146","10.1107/S0108270108004198","","","0.71073","MoKα","","0.0426","0.0257","","","0.0471","0.0521","","","","","","1.027","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016504","6.9715","0.0002","10.5549","0.0003","24.8914","0.0008","79.614","0.002","88.741","0.002","72.225","0.002","1714.51","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","cis-1,2-Dimethyl-cyclobutane-1,2-diol","<i>cis</i>-1,2-dimethylcyclobutane-1,2-diol","","- C6 H12 O2 -","- C6 H12 O2 -","- C60 H120 O20 -","10","5","LN3079","Allscher, Thorsten; Betz, Richard; Herdlicka, Sonja; Klüfers, Peter","The complex packing pattern of <i>cis</i>-1,2-dimethylcyclobutane-1,2-diol","Acta Crystallographica Section C","2008","64","3","o111","o113","10.1107/S010827010800053X","","","0.71073","MoKα","","0.0974","0.0505","","","0.1172","0.1389","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016505","8.6049","0.0008","12.6787","0.0007","15.5042","0.0014","90","","117.9","0.006","90","","1494.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-N-phenylaminomethyl 2-naphthyl ketone","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","LN3084","Karabıyık, Hasan; Keskin, Sevnur; Aygün, Muhittin; Arsu, Nergis; Büyükgüngör, Orhan","<i>N</i>-Methyl-<i>N</i>-phenylaminomethyl 2-naphthyl ketone: an X-ray diffraction and density functional theory study","Acta Crystallographica Section C","2008","64","3","o155","o158","10.1107/S0108270108003466","","","0.71073","MoKα","","0.1095","0.054","","","0.1127","0.1328","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016506","6.302","0.0006","9.0437","0.0008","9.3822","0.0009","109.196","0.001","94.937","0.001","104.076","0.001","481.72","0.08","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,4,6-Trichloro-5-cyano-2-hydroxybenzamide","","- C8 H3 Cl3 N2 O2 -","- C8 H3 Cl3 N2 O2 -","- C16 H6 Cl6 N4 O4 -","2","1","LN3085","Britton, Doyle","3,4,6-Trichloro-5-cyano-2-hydroxybenzamide","Acta Crystallographica Section C","2008","64","3","o109","o110","10.1107/S0108270108001017","","","0.71073","MoKα","","0.023","0.022","","","0.061","0.063","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016507","8.3051","0.0002","12.6449","0.0003","28.0176","0.0012","90","","97.766","0.002","90","","2915.34","0.16","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichloridobis(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)zinc(II)","","- C32 H12 Cl2 N12 Zn -","- C32 H12 Cl2 N12 Zn -","- C128 H48 Cl8 N48 Zn4 -","4","0.5","LN3086","Kozlov, Leonid; Goldberg, Israel","Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile","Acta Crystallographica Section C","2008","64","3","m123","m126","10.1107/S010827010800303X","","","0.71073","MoKα","","0.0921","0.062","","","0.1573","0.1727","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016508","14.863","0.0004","12.8457","0.0003","9.8852","0.0002","90","","90","","90","","1887.34","0.08","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrachlorido(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)tin(IV)","","- C16 H6 Cl4 N6 Sn -","- C16 H6 Cl4 N6 Sn -","- C64 H24 Cl16 N24 Sn4 -","4","0.5","LN3086","Kozlov, Leonid; Goldberg, Israel","Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile","Acta Crystallographica Section C","2008","64","3","m123","m126","10.1107/S010827010800303X","","","0.71073","MoKα","","0.056","0.0378","","","0.0818","0.0892","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016509","18.6511","0.0007","9.2969","0.0003","20.7606","0.0009","90","","110.102","0.0013","90","","3380.5","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-tetrakis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)porphyrin nitrobenzene clathrate","","- C76 H76 B4 N6 O12 -","- C76 H76 B4 N6 O12 -","- C152 H152 B8 N12 O24 -","2","0.5","SF3072","Muniappan, Sankar; Lipstman, Sophia; Goldberg, Israel","Borylated porphyrins: 5,10,15,20-tetrakis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section C","2008","64","3","o177","o179","10.1107/S010827010800468X","","","0.71073","MoKα","","0.1488","0.0635","","","0.1419","0.1789","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016510","9.225","0.002","9.143","0.002","14.504","0.003","90.73","0.03","100.01","0.03","92.84","0.03","1202.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","tetrahydrated calcium bromide complex of dihydroxyacetone","bis(μ-dihydroxyacetone)bis[tetraaquacalcium(II)] tetrabromide","","- C6 H28 Br4 Ca2 O14 -","- C6 H28 Br4 Ca2 O14 -","- C12 H56 Br8 Ca4 O28 -","2","1","SK3189","Ślepokura, Katarzyna; Lis, Tadeusz","Dihydroxyacetone (DHA) monomer complexes with CaBr~2~ and CdCl~2~","Acta Crystallographica Section C","2008","64","3","m127","m133","10.1107/S0108270108002527","","","0.71073","MoKα","","0.034","0.0262","","","0.0543","0.0566","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016511","11.17","0.003","17.119","0.003","14.225","0.003","90","","95.42","0.03","90","","2707.9","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trihydrated (cadmium chloride)4 complex of (dihydroxyacetone)3","poly[{bis(μ-dihydroxyacetone)bis[bis(dihydroxyacetone)cadmium(II)} [diaquatetradeca-μ-chlorido-dichloridohexacadmium(II)] tetrahydrate]","","- C18 H48 Cd8 Cl16 O24 -","- C18 H48 Cd8 Cl16 O24 -","- C36 H96 Cd16 Cl32 O48 -","2","0.5","SK3189","Ślepokura, Katarzyna; Lis, Tadeusz","Dihydroxyacetone (DHA) monomer complexes with CaBr~2~ and CdCl~2~","Acta Crystallographica Section C","2008","64","3","m127","m133","10.1107/S0108270108002527","","","0.71073","MoKα","","0.056","0.0294","","","0.0334","0.0359","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016512","12.4096","0.0004","13.0039","0.0004","13.4669","0.0004","92.764","0.001","107.367","0.001","91.878","0.001","2069.18","0.11","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^N,N')cobalt(III) tris(trifluoromethanesulfonate) dihydrate","","- C39 H28 Co F9 N6 O11 S3 -","- C39 H28 Co F9 N6 O11 S3 -","- C78 H56 Co2 F18 N12 O22 S6 -","2","1","SK3194","Hanauer, Matthias; Neshat, Abdollah; Bigioni, Terry P.","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(trifluoromethanesulfonate) dihydrate","Acta Crystallographica Section C","2008","64","3","m111","m113","10.1107/S0108270108001972","","","0.71073","MoKα","","0.0459","0.0404","","","0.1046","0.1074","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016513","10.9194","0.0004","18.0256","0.0007","27.1635","0.0011","90","","96.865","0.001","90","","5308.2","0.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-ylmethyl]-6-(3,5-dimethyl-1H-pyrazol- 1-ylmethyl)pyridine}methylpalladium(II) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C50 H30 B F30 N5 Pd -","- C50 H30 B F29.997 N5 Pd -","- C200 H120 B4 F119.988 N20 Pd4 -","4","1","SK3199","Guzei, Ilia A.; Spencer, Lara C.; Ojwach, Stephen O.; Darkwa, James","Positional disorder manifested as compositional in a pseudo-<i>C</i>~2~-symmetrical Pd complex","Acta Crystallographica Section C","2008","64","3","m114","m116","10.1107/S0108270108002503","","","0.71073","Mo-Kα","","0.0659","0.0584","","","0.1478","0.1544","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016514","8.557","0.0015","9.893","0.002","9.9739","0.0018","87.534","0.013","77.251","0.015","67.431","0.014","759.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl (E)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C28 H40 N12 O4 -","2","1","SK3200","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Hydrogen-bonded ribbons in ethyl (<i>E</i>)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","Acta Crystallographica Section C","2008","64","3","o145","o148","10.1107/S0108270108003132","","","0.71073","MoKα","","0.1692","0.069","","","0.1667","0.2356","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016515","9.696","0.0008","14.752","0.003","15.418","0.003","116.332","0.013","96.794","0.01","93.587","0.009","1946.1","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","","- C18 H23 N7 -","- C18 H23 N7 -","- C72 H92 N28 -","4","2","SK3200","Trilleras, Jorge; Low, John N.; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","Hydrogen-bonded ribbons in ethyl (<i>E</i>)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile","Acta Crystallographica Section C","2008","64","3","o145","o148","10.1107/S0108270108003132","","","0.71073","MoKα","","0.1307","0.0646","","","0.1813","0.2063","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016516","8.933","0.003","10.014","0.003","22.059","0.007","79.769","0.004","89.938","0.004","63.533","0.004","1731.5","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","(2-phenylethenylsulfonylmethyl)phosphonate","","- C15 H23 O5 P S -","- C15 H23 O5 P S -","- C60 H92 O20 P4 S4 -","4","2","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0439","0.0407","","","0.1019","0.1037","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016517","9.8656","0.0003","15.1481","0.0005","15.9024","0.0005","86.929","0.003","89.893","0.003","72.267","0.003","2260.11","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","diisopropyl {[2-(7-methoxy-1,3-benzodioxol-5- yl)ethenylsulfonyl]methylsulfonylmethyl}phosphonate","","- C18 H27 O10 P S2 -","- C18 H27 O10 P S2 -","- C72 H108 O40 P4 S8 -","4","2","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0415","0.0342","","","0.0888","0.092","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016518","10.1632","0.0007","23.6753","0.0016","34.339","0.002","90","","90","","90","","8262.5","0.9","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(trans-2-phenylethenyl) sulfone","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C384 H336 O48 S24 -","24","3","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0954","0.0507","","","0.1188","0.1353","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016519","15.7551","0.0006","11.9609","0.0005","8.6212","0.0003","90","","103.728","0.001","90","","1578.21","0.11","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(trans-2-phenylethenylsulfonyl)methane","","- C17 H16 O4 S2 -","- C17 H16 O4 S2 -","- C68 H64 O16 S8 -","4","0.5","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0376","0.0317","","","0.0869","0.0925","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016520","8.2209","0.0011","16.552","0.003","18.423","0.003","90","","97.775","0.019","90","","2483.8","0.7","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dispiro[indene-2,5'-indeno[2,1-a]fluorene-6',2''-indene]- 1,1'',3,3'',11',12'-hexaone","","- C36 H16 O6 -","- C36 H16 O6 -","- C144 H64 O24 -","4","1","SK3204","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Dispiro[indene-2,5'-indeno[2,1-<i>a</i>]fluorene-6',2''-indene]-1,1'',3,3'',11',12'-hexaone: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2008","64","3","o162","o165","10.1107/S010827010800396X","","","0.71073","MoKα","","0.0645","0.0454","","","0.0944","0.1035","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016521","10.948","0.002","13.548","0.003","15.828","0.003","108.96","0.03","94.57","0.03","110.33","0.03","2032.3","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-Acetato-κ^2^O:O'-tris(μ~2~-ferrocenecarboxylato-κ^2^O:O')bis[(N,N-\ dimethylformamide-κO)copper(II)]","","- C41 H44 Cu2 Fe3 N2 O10 -","- C41 H44 Cu2 Fe3 N2 O10 -","- C82 H88 Cu4 Fe6 N4 O20 -","2","1","SQ3093","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Wang, Jin-Gen","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2008","64","3","m121","m122","10.1107/S0108270107044952","","","0.71073","MoKα","","0.0869","0.0596","","","0.1618","0.1839","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016522","11.0513","0.0009","10.2765","0.0006","8.7052","0.0006","90","","90","","90","","988.64","0.12","301","2","301","2","","","","","","","","4","P m c 21","P 2c -2","26","","Dirubidium divanadyl phyllo-octasilicate","","- O21 Rb2 Si8 V2 -","- O21 Rb2 Si8 V2 -","- O42 Rb4 Si16 V4 -","2","0.5","SQ3119","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","The diphyllosilicate Rb~2~(VO)~2~[Si~8~O~19~]","Acta Crystallographica Section C","2008","64","3","i27","i29","10.1107/S0108270107068205","","","0.71073","MoKα","","0.0395","0.0326","","","0.0619","0.0652","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016523","6.9047","0.0004","12.5332","0.0009","21.8652","0.0018","90","","90","","90","","1892.2","0.2","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bi-1,2,4-triazole-κN^1^)bis(thiocyanato-κN)copper(II)]- μ-4,4'-bi-1,2,4-triazole-κ^2^N^1^:N^1'^ dihydrate]","","- C10 H12 Cu N14 O2 S2 -","- C10 H12 Cu N14 O2 S2 -","- C40 H48 Cu4 N56 O8 S8 -","4","1","SQ3120","Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.","Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","3","m117","m120","10.1107/S0108270108001479","","","0.71073","MoKα","","0.0251","0.0219","","","0.0508","0.0515","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016524","7.092","0.001","10.4867","0.0018","13.836","0.002","87.44","0.018","81.158","0.016","82.847","0.011","1008.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[bis(μ-thiocyanato-κ^2^N:S)tetrakis(thiocyanato-κN)tetrakis(μ-4,4'- bi-1,2,4-triazole-κ^2^N^1^:N^1'^)tricadmium(II)]","","- C22 H16 Cd3 N30 S6 -","- C22 H16 Cd3 N30 S6 -","- C22 H16 Cd3 N30 S6 -","1","0.5","SQ3120","Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.","Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","3","m117","m120","10.1107/S0108270108001479","","","0.71073","MoKα","","0.0474","0.0295","","","0.0684","0.0743","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016525","7.6156","0.0008","11.553","0.0009","11.814","0.0011","90","","96.258","0.002","90","","1033.24","0.17","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-2-(4-pyridinio)propane-1,3-dionato-κ^2^O:O']cobalt(II)] dinitrate]","","- C16 H18 Co N4 O12 -","- C16 H18 Co N4 O12 -","- C32 H36 Co2 N8 O24 -","2","0.5","SU3015","Domasevitch, Konstantin V.","Poly[[diaquabis[μ~2~-2-(4-pyridinio)propane-1,3-dionato-κ^2^<i>O</i>:<i>O</i>']cobalt(II)] dinitrate]","Acta Crystallographica Section C","2008","64","3","m105","m107","10.1107/S0108270108001054","","","0.71073","MoKα","","0.0463","0.0393","","","0.1051","0.1087","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016526","14.5376","0.0016","6.6329","0.0006","9.8343","0.0009","90","","105.922","0.005","90","","911.91","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-gabapentin","1-(ammoniomethyl)cycloheaxaneacetate","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","TR3031","Reece, Hayley A.; Levendis, Demetrius C.","Polymorphs of gabapentin","Acta Crystallographica Section C","2008","64","3","o105","o108","10.1107/S0108270107066279","","","0.71073","MoKα","","0.106","0.0462","","","0.0862","0.1005","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016527","30.5452","0.0011","5.9268","0.0002","10.8841","0.0004","90","","108.316","0.002","90","","1870.58","0.12","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","γ-gabapentin","1-(ammoniomethyl)cycloheaxaneacetate","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C72 H136 N8 O16 -","8","1","TR3031","Reece, Hayley A.; Levendis, Demetrius C.","Polymorphs of gabapentin","Acta Crystallographica Section C","2008","64","3","o105","o108","10.1107/S0108270107066279","","","0.71073","MoKα","","0.0599","0.0461","","","0.1149","0.1246","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016528","7.1475","0.0018","27.999","0.007","9.387","0.002","90","","93.026","0.005","90","","1875.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3,3',3'-Tetraethyl-1,1'-(propane-1,3-diyldicarbonyl)bis(thiourea)","","- C15 H28 N4 O2 S2 -","- C15 H28 N4 O2 S2 -","- C60 H112 N16 O8 S8 -","4","1","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.072","0.0525","","","0.1199","0.1293","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016529","4.8287","0.0009","6.3977","0.0012","15.661","0.003","85.532","0.003","86.985","0.003","81.894","0.003","477.09","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3,3',3'-tetraethyl-1,1'-(butane-1,4-diyldicarbonyl)bis(thiourea)","","- C16 H30 N4 O2 S2 -","- C16 H30 N4 O2 S2 -","- C16 H30 N4 O2 S2 -","1","0.5","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.0709","0.0622","","","0.1501","0.1556","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016530","9.3206","0.0015","10.6717","0.0017","15.537","0.002","105.164","0.003","97.767","0.003","92.111","0.003","1473.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3,3',3'-tetrabutyl-1,1'-(hexane-1,6‒diyldicarbonyl)bis(thiourea),","","- C26 H50 N4 O2 S2 -","- C26 H50 N4 O2 S2 -","- C52 H100 N8 O4 S4 -","2","1","TR3036","Stockmann, Susanne; Bruce, Jocelyn; Miller, Jorn; Koch, Klaus R.","Bipodal 1,1'-acyl-3,3,3',3'-tetraalkylbis(thiourea) ligands with flexible C~3~, C~4~ and C~6~ spacer groups","Acta Crystallographica Section C","2008","64","3","o166","o170","10.1107/S0108270108002783","","","0.71073","MoKα","","0.0873","0.0526","","","0.0764","0.0849","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016531","6.04","0.005","8.262","0.006","17.256","0.013","91.999","0.01","97.831","0.01","96.185","0.01","847","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diacetonitrile-1κN,3κN-bis{μ-trans-N-[3-(dimethylamino)propyl]-N'- (2-hydroxyethyl)oxamidato(2-)}-1:2κ^5^N,N',O:O',N'';2:3κ^5^O',N'':N,N',O- dithiocyanato-1κN,3κN-tricopper(II)","","- C24 H40 Cu3 N10 O6 S2 -","- C24 H40 Cu3 N10 O6 S2 -","- C24 H40 Cu3 N10 O6 S2 -","1","0.5","AV3136","Liu, Jin-Liang; Yan, Cui-Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Zhang, Wan-Ju","Diacetonitrile-1κ<i>N</i>,3κ<i>N</i>-bis{μ-<i>trans</i>-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-(2-hydroxyethyl)oxamidato(2‒)}-1:2κ^5^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>',<i>N</i>'';2:3κ^5^O',<i>N</i>'':<i>N</i>,<i>N</i>',<i>O</i>-dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-tricopper(II)","Acta Crystallographica Section C","2008","64","4","m149","m152","10.1107/S0108270108003296","","","0.71073","MoKα","","0.118","0.0625","","","0.1574","0.1751","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016532","8.3984","0.0002","14.0857","0.0003","14.5004","0.0003","90","","106.667","0.002","90","","1643.29","0.06","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(1,10-phenanthroline)(DMSO)copper(II) dibromide","Dibromido(dimethyl sulfoxide-κO)(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C14 H14 Br2 Cu N2 O S -","- C14 H14 Br2 Cu N2 O S -","- C56 H56 Br8 Cu4 N8 O4 S4 -","4","1","AV3138","Oh, Myeong-Jin; Kim, Hee-Jin; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dibromido(dimethyl sulfoxide-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2008","64","4","m153","m155","10.1107/S0108270108005003","","","0.71073","MoKα","","0.0805","0.0378","","","0.0929","0.127","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016533","9.8804","0.0008","6.654","0.0007","18.3908","0.0012","90","","90","","90","","1209.09","0.18","213","2","213","2","","","","","","","","4","C m c m","-C 2c 2","63","","1,4,5,8-Tetramethylpyridazino[4,5-<i>d</i>]pyridazine trihydrate","","- C10 H18 N4 O3 -","- C10 H18 N4 O3 -","- C40 H72 N16 O12 -","4","0.25","BM3049","Zhylenko, Iryna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Hydrate frameworks involving the pyridazino[4,5-<i>d</i>]pyridazine unit as a multiple hydrogen-bond acceptor","Acta Crystallographica Section C","2008","64","4","o237","o241","10.1107/S0108270108007117","","","0.71073","MoKα","","0.0427","0.0398","","","0.1071","0.1092","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016534","6.6745","0.0014","20.028","0.004","5.486","0.0011","90","","106.352","0.003","90","","703.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline tetrahydrate","","- C12 H20 N4 O4 -","- C12 H20 N4 O4 -","- C24 H40 N8 O8 -","2","0.5","BM3049","Zhylenko, Iryna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Hydrate frameworks involving the pyridazino[4,5-<i>d</i>]pyridazine unit as a multiple hydrogen-bond acceptor","Acta Crystallographica Section C","2008","64","4","o237","o241","10.1107/S0108270108007117","","","0.71073","MoKα","","0.0824","0.0487","","","0.1248","0.1392","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016535","6.0445","0.0001","12.1149","0.0002","28.9321","0.0004","90","","90","","90","","2118.65","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-(1<i>H</i>-indazol-1-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C104 H128 N8 O4 -","4","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1<i>H</i>-Indazole and 2<i>H</i>-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0629","0.0402","","","0.1088","0.1391","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016536","5.9234","0.0002","13.0938","0.0004","13.6623","0.0004","90","","91.5347","0.0016","90","","1059.27","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-(2<i>H</i>-indazol-2-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C52 H64 N4 O2 -","2","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1<i>H</i>-Indazole and 2<i>H</i>-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0507","0.0382","","","0.1044","0.1201","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016537","5.4656","0.0012","13.66","0.002","10.6755","0.0019","90","","99.182","0.016","90","","786.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-dimethylbenzoic acid","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","FA3135","Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz","Conformation of hydrogen-bonded dimeric <i>o</i>-methyl-substituted benzoic acids","Acta Crystallographica Section C","2008","64","4","o208","o210","10.1107/S0108270108005799","","","0.71073","MoKα","","0.0633","0.0378","","","0.0956","0.1058","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016538","14.417","0.003","6.9224","0.0012","18.508","0.004","90","","106.334","0.006","90","","1772.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl]- N-phenylacetamide","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","FG3054","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push‒pull molecules","Acta Crystallographica Section C","2008","64","4","o195","o198","10.1107/S0108270108005593","","","0.71073","MoKα","","0.1603","0.0605","","","0.1061","0.1318","","","","","","0.828","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016539","11.3193","0.0003","8.8981","0.0003","16.9338","0.0005","90","","101.298","0.002","90","","1672.53","0.09","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{3-cyano-5,5-dimethyl-4-[2-(piperidin-1-yl)vinyl]-2,5-dihydrofuran-2- ylidene}malononitrile 0.376-hydrate","","- C17 H18.75 N4 O1.376 -","- C17 H18.752 N4 O1.376 -","- C68 H75.008 N16 O5.504 -","4","1","FG3054","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push‒pull molecules","Acta Crystallographica Section C","2008","64","4","o195","o198","10.1107/S0108270108005593","","","0.71073","MoKα","","0.0654","0.0422","","","0.1019","0.118","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016540","10.344","0.003","19.804","0.006","7.489","0.002","90","","102.95","0.01","90","","1495.1","0.7","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodobenzofurazan 1-oxide","5-iodobenzo-1,2,5-oxadiazole 1-oxide","","- C6 H3 I N2 O2 -","- C6 H3 I N2 O2 -","- C48 H24 I8 N16 O16 -","8","2","GD3185","Britton, Doyle; Noland, Wayland E.; Clark, Christopher M.","5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder","Acta Crystallographica Section C","2008","64","4","o187","o190","10.1107/S0108270108003776","","","0.71073","MoKα","","0.085","0.049","","","0.077","0.087","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016541","14.392","0.004","7.64","0.002","15.284","0.004","90","","116.39","0.01","90","","1505.4","0.7","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodobenzofurazan 1-oxide","5-iodobenzo-1,2,5-oxadiazole 1-oxide","","- C6 H3 I N2 O2 -","- C6 H3 I N2 O2 -","- C48 H24 I8 N16 O16 -","8","2","GD3185","Britton, Doyle; Noland, Wayland E.; Clark, Christopher M.","5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder","Acta Crystallographica Section C","2008","64","4","o187","o190","10.1107/S0108270108003776","","","0.71073","MoKα","","0.0401","0.031","","","0.062","0.065","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016542","6.9841","0.0002","13.0977","0.0004","28.3695","0.0008","90","","90","","90","","2595.12","0.13","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","2,6-dimethoxy-7,9-dimethylpurinium iodide hemihydrate","","- C9 H14 I N4 O2.5 -","- C9 H14 I N4 O2.5 -","- C72 H112 I8 N32 O20 -","8","","GD3189","Kowalska, Alicja; Pluta, Krystian; Suwińska, Kinga","2,6-Dimethoxy-7,9-dimethylpurinium iodide hemihydrate","Acta Crystallographica Section C","2008","64","4","o211","o213","10.1107/S0108270108005957","","","0.71073","MoKα","","0.047","0.041","","","0.08","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016543","6.2143","0.0002","15.3978","0.0005","20.713","0.0007","90","","93.729","0.003","90","","1977.76","0.11","290","2","290","2","","","","","","","","3","C 1 c 1","C -2yc","9","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl] phenol","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","GD3195","Rozycka-Sokolowska, Ewa","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol: a three-dimensional framework built from O—H···O hydrogen bonds","Acta Crystallographica Section C","2008","64","4","o242","o244","10.1107/S0108270108006045","","","0.71073","MoKα","","0.0618","0.0326","","","0.0644","0.0815","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016544","6.1137","0.0016","11.6779","0.0014","41.33","0.005","90","","90","","90","","2950.8","0.9","296","1","296","1","101","2","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,16-diacetyl pseudosolasodine B","(25R)-22,26-epiminocholesta-5,22(<i>N</i>)-diene-3β,16β-diyl diacetate","","- C31 H47 N O4 -","- C31 H47 N O4 -","- C124 H188 N4 O16 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0877","0.0517","","","0.1256","0.1538","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016545","10.026","0.002","7.4403","0.0014","35.508","0.006","90","","95.512","0.018","90","","2636.5","0.9","296","1","296","1","101","2","","","","","","4","C 1 2 1","C 2y","5","16-hydroxy-oblonginine 3-acetate","(22S,25R)-16β-hydroxy-22,26-epiminocholesta-5-ene-3β-yl acetate","","- C29 H47 N O3 -","- C29 H47 N O3 -","- C116 H188 N4 O12 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0559","0.049","","","0.1292","0.1348","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016546","5.8209","0.0009","8.5101","0.0011","16.648","0.003","90","","96.66","0.013","90","","819.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-carboxyanilinium bromide","","- C7 H8 Br N O2 -","- C7 H8 Br N O2 -","- C28 H32 Br4 N4 O8 -","4","1","GD3202","Cinčić, Dominik; Kaitner, Branko","Hydrogen bonding in the bromide salts of 4-aminobenzoic acid and 4-aminoacetophenone","Acta Crystallographica Section C","2008","64","4","o226","o229","10.1107/S0108270108006471","","","0.71073","MoKα","","0.0351","0.0302","","","0.0887","0.0928","","","","","","1.163","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016547","7.4423","0.0008","15.4529","0.001","7.6833","0.0014","90","","90.828","0.008","90","","883.5","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-acetylanilinium bromide","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C32 H40 Br4 N4 O4 -","4","1","GD3202","Cinčić, Dominik; Kaitner, Branko","Hydrogen bonding in the bromide salts of 4-aminobenzoic acid and 4-aminoacetophenone","Acta Crystallographica Section C","2008","64","4","o226","o229","10.1107/S0108270108006471","","","0.71073","MoKα","","0.0472","0.0391","","","0.1106","0.1265","","","","","","1.232","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016548","12.1198","0.0018","12.5461","0.0019","12.4089","0.0019","90","","114.896","0.002","90","","1711.5","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dihydroxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C16 H18 O10 -","- C16 H18 O10 -","- C64 H72 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0459","0.0381","","","0.0967","0.1035","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016549","9.3037","0.0006","10.2495","0.0007","10.6378","0.0007","95.155","0.001","103.114","0.001","109.208","0.001","917.9","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dihydroxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0385","0.0353","","","0.0915","0.0946","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016550","13.4118","0.0004","8.3693","0.0003","17.4894","0.0006","90","","111.049","0.001","90","","1832.15","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C18 H22 O10 -","- C18 H22 O10 -","- C72 H88 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0368","0.0348","","","0.093","0.0951","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016551","11.6352","0.0004","13.3095","0.0004","13.2262","0.0004","90","","96.369","0.001","90","","2035.55","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-dimethoxy-1,5-dimethylbicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.046","0.0396","","","0.106","0.1124","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016552","10.0095","0.0005","20.9263","0.0012","10.1881","0.0006","90","","90.507","0.001","90","","2133.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetramethyl <i>cis</i>,<i>cis</i>-3,7-diacetoxybicyclo[3.3.0]octa-2,6-diene- 2,4-<i>exo</i>,6,8-<i>exo</i>-tetracarboxylate","","- C20 H22 O12 -","- C20 H22 O12 -","- C80 H88 O48 -","4","1","GG3136","Vega, Andrés; Donoso-Tauda, Oscar; Ibañez, Andres; Escobar, Carlos A.","Five bicyclo[3.3.0]octa-2,6-dienes","Acta Crystallographica Section C","2008","64","4","o199","o204","10.1107/S0108270108004290","","","0.71073","MoKα","","0.0807","0.0496","","","0.1223","0.1458","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016553","8.9122","0.0006","11.9051","0.0007","10.4111","0.0004","90","","105.649","0.003","90","","1063.68","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-3-methyl-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3H)-one","","- C9 H13 N5 O3 -","- C9 H13 N5 O3 -","- C36 H52 N20 O12 -","4","1","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.1084","0.0544","","","0.1247","0.1591","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016554","9.441","0.0011","16.347","0.004","18.799","0.005","90","","90.045","0.015","90","","2901.3","1.1","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","morpholin-4-ium 4-amino-2-(morpholin-4-yl)-5-nitroso-6-oxo-1,6-dihydropyrimidin-1-ide","","- C12 H20 N6 O4 -","- C12 H20 N6 O4 -","- C96 H160 N48 O32 -","8","1","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.082","0.0486","","","0.0948","0.1087","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016555","16.421","0.002","7.3671","0.0012","17.205","0.004","90","","104.794","0.012","90","","2012.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3H)-one hemihydrate","","- C8 H12 N5 O3.5 -","- C8 H12 N5 O3.5 -","- C64 H96 N40 O28 -","8","2","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.1374","0.0578","","","0.1253","0.1623","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016556","5.9271","0.0017","16.398","0.005","17.864","0.005","90","","98.468","0.004","90","","1717.3","0.9","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(4-chlorophenyl)-1-[(4-chlorophenylanilino)methyl]-1,3,5-triazinane-2-thione","","- C32 H32 Cl4 N8 S2 -","- C32 H32 Cl4 N8 S2 -","- C64 H64 Cl8 N16 S4 -","2","1","HJ3065","Zhang, Zhenfeng; Xian, Dong; Li, Jianping; Zhang, Guisheng","Hydrogen-bonded chains of rings in 1-(4-chloroanilinomethyl)-5-(4-chlorophenyl)-1,3,5-triazinane-2-thione and hydrogen-bonded sheets in 1-anilinomethyl-5-phenyl-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2008","64","4","o191","o194","10.1107/S0108270108002096","","","0.71073","MoKα","","0.1016","0.0614","","","0.1396","0.1651","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016557","5.8564","0.0008","15.486","0.002","17.285","0.002","90","","92.66","0.002","90","","1565.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(anilinomethyl)-5-phenyl-1,3,5-triazinane-2-thione","","- C16 H18 N4 S -","- C16 H18 N4 S -","- C64 H72 N16 S4 -","4","1","HJ3065","Zhang, Zhenfeng; Xian, Dong; Li, Jianping; Zhang, Guisheng","Hydrogen-bonded chains of rings in 1-(4-chloroanilinomethyl)-5-(4-chlorophenyl)-1,3,5-triazinane-2-thione and hydrogen-bonded sheets in 1-anilinomethyl-5-phenyl-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2008","64","4","o191","o194","10.1107/S0108270108002096","","","0.71073","MoKα","","0.0533","0.0356","","","0.0839","0.0936","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016558","9.9821","0.0011","9.9821","0.0011","9.9821","0.0011","90","","90","","90","","994.64","0.19","298","2","298","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide)","","- Br Cu6.1 P S1.632 Se3.368 -","- Br Cu6.0996 P S1.6316 Se3.3684 -","- Br4 Cu24.3984 P4 S6.5264 Se13.4736 -","4","0.0416667","IZ3043","Gagor, A.; Pietraszko, A.; Panko, V. V.","Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide), Cu~6~P(Se~0.7~S~0.3~)~5~Br","Acta Crystallographica Section C","2008","64","4","i33","i34","10.1107/S0108270108005167","","","0.71069","MoKα","","0.0277","0.0256","","","0.0403","0.0417","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016559","7.352","0.004","20.734","0.011","7.78","0.004","90","","90","","90","","1186","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dipotassium tris{[(sulfitomercurato(II)] oxonium}","dipotassium μ~3~-oxido-tris[sulfitomercury(II)]","","- Hg3 K2 O10 S3 -","- Hg3 K2 O10 S3 -","- Hg12 K8 O40 S12 -","4","0.5","IZ3045","Weil, Matthias; Baumann, Stefan; Breitinger, Dietrich K.","K~2~[O(HgSO~3~)~3~], a new sulfitomercurate with an [OHg~3~] core","Acta Crystallographica Section C","2008","64","4","i35","i37","10.1107/S0108270108005179","","","0.71073","MoKα","","0.0262","0.0228","","","0.0535","0.0547","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016560","18.53","0.004","13.409","0.002","19.792","0.003","90","","92.969","0.007","90","","4911.1","1.5","173","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]nickel(II) [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]nickel(II) chloride methanol disolvate","","- C54 H59 Cl N6 Ni2 O8 -","- C54 H59 Cl N6 Ni2 O8 -","- C216 H236 Cl4 N24 Ni8 O32 -","4","0.5","JZ3116","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Ishida, Hiroyuki","Mononuclear nickel(II) and zinc(II) complexes with deprotonated forms of the tripodal hexadentate ligand 1,3-bis(2-hydroxybenzylidene)-2-(2-hydroxybenzylideneaminomethyl)-2-methylpropane-1,3-diamine","Acta Crystallographica Section C","2008","64","4","m156","m160","10.1107/S0108270108004289","","","0.71075","MoKα","","0.0505","0.0442","","","0.1415","0.1456","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016561","13.626","0.005","19.383","0.006","21.522","0.007","90","","106.27","0.007","90","","5457","3","103","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]zinc(II) perchlorate [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]zinc(II)methanol trisolvate","","- C55 H63 Cl N6 O13 Zn2 -","- C55 H63 Cl N6 O13 Zn2 -","- C220 H252 Cl4 N24 O52 Zn8 -","4","1","JZ3116","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Ishida, Hiroyuki","Mononuclear nickel(II) and zinc(II) complexes with deprotonated forms of the tripodal hexadentate ligand 1,3-bis(2-hydroxybenzylidene)-2-(2-hydroxybenzylideneaminomethyl)-2-methylpropane-1,3-diamine","Acta Crystallographica Section C","2008","64","4","m156","m160","10.1107/S0108270108004289","","","0.71075","MoKα","","0.0563","0.0371","","","0.0987","0.1243","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016562","13.718","0.003","15.433","0.003","20.526","0.004","90","","108.83","0.03","90","","4113","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2- pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate","","- C40 H40 N8 O12 Zn2 -","- C40 H40 N8 O12 Zn2 -","- C160 H160 N32 O48 Zn8 -","4","0.5","LN3090","Zhu, Li-Na; Gao, Shan; Huo, Li-Hua","Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2-pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate","Acta Crystallographica Section C","2008","64","4","m182","m184","10.1107/S0108270108007166","","","0.71073","MoKα","","0.0331","0.0286","","","0.0732","0.0754","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016563","7.3779","0.0005","11.157","0.0009","12.583","0.0009","71.081","0.002","81.596","0.002","70.529","0.002","922.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","phenanthroline)-1κ^2^N,N';3κ^2^N,N'-di-μ-hydroxido-1:2κ^2^O:O,2:3κ^2^O:O-\ tricopper(II) dinitrate dihydrate","","- C32 H36 Cu3 N6 O16 -","- C32 H36 Cu3 N6 O16 -","- C32 H36 Cu3 N6 O16 -","1","0.5","SF3070","Chen, Fang; Lu, Wei-Min; Zhu, Yue","A mixed bridged trinuclear copper(II)‒1,10-phenanthroline complex with a linear structure","Acta Crystallographica Section C","2008","64","4","m167","m169","10.1107/S0108270108005349","","","0.71069","MoKα","","0.0484","0.0375","","","0.1127","0.1198","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016564","8.0601","0.0008","9.2246","0.0009","16.4286","0.0015","92.344","0.007","96.656","0.008","103.097","0.008","1178.8","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","(Dicyanamido-κN')bis(1,10-phenanthroline-κ^2^N,N')copper(II) tetrafluoridoborate","","- C26 H16 B Cu F4 N7 -","- C26 H16 B Cu F4 N7 -","- C52 H32 B2 Cu2 F8 N14 -","2","1","SF3073","Potočňák, Ivan; Špilovský, Martin; Trávníček, Zdeněk","Low-dimensional compounds containing cyano groups. XVI. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoridoborate","Acta Crystallographica Section C","2008","64","4","m161","m163","10.1107/S0108270108005970","","","0.71073","MoKα","","0.048","0.0405","","","0.1113","0.1192","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016565","16.8649","0.0008","16.5864","0.0009","7.4838","0.0004","90","","90","","90","","2093.43","0.19","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]","","- C7 H10 Ag N3 O3 -","- C7 H10 Ag N3 O3 -","- C56 H80 Ag8 N24 O24 -","8","1","SK3191","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]: a powder study","Acta Crystallographica Section C","2008","64","4","m170","m172","10.1107/S0108270108005143","","","1.5406","CuKα1","","0.0252","0.0251","","","0.0164","0.0164","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016566","8.34","0.003","8.863","0.003","12.565","0.004","90","","99.575","0.005","90","","915.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-\ 4-carboxylato)copper(II)] dihydrate]","","- C10 H20 Cu O16 P2 -","- C10 H20 Cu O16 P2 -","- C20 H40 Cu2 O32 P4 -","2","0.5","SK3205","Guo, Ming-Lin; Zang, Hong-Jun","Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylato)copper(II)] dihydrate]","Acta Crystallographica Section C","2008","64","4","m173","m175","10.1107/S0108270108005428","","","0.71073","MoKα","","0.03","0.0265","","","0.0716","0.0745","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016567","9.7056","0.0019","8.6794","0.0017","17.89","0.004","90","","90","","90","","1507","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","δ-Sulfanilamide","4-aminobenzenesulfonamide","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","SK3211","Gelbrich, Thomas; Bingham, Ann L.; Threlfall, Terence L.; Hursthouse, Michael B.","δ-Sulfanilamide","Acta Crystallographica Section C","2008","64","4","o205","o207","10.1107/S0108270108005696","","","0.71073","MoKα","","0.0666","0.0415","","","0.097","0.106","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016568","8.5336","0.0018","11.063","0.003","13.426","0.003","73.722","0.018","72.389","0.016","85.93","0.02","1159.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate","","- C27 H25 N2 O3 P -","- C27 H25 N2 O3 P -","- C54 H50 N4 O6 P2 -","2","1","SK3213","Cobo, Justo; Glidewell, Christopher; Low, John N.; Orozco, Fabían","Ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate and ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","Acta Crystallographica Section C","2008","64","4","o233","o236","10.1107/S0108270108006963","","","0.71073","MoKα","","0.0954","0.0545","","","0.1034","0.1205","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016569","8.5671","0.0014","11.0617","0.0006","13.547","0.002","102.987","0.008","106.417","0.012","94.596","0.01","1185.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","","- C27 H25 N2 O2 P S -","- C27 H25 N2 O2 P S -","- C54 H50 N4 O4 P2 S2 -","2","1","SK3213","Cobo, Justo; Glidewell, Christopher; Low, John N.; Orozco, Fabían","Ethyl 2-methoxy-6-[(triphenylphosphoranylidene)amino]nicotinate and ethyl 2-methylsulfanyl-6-[(triphenylphosphoranylidene)amino]nicotinate","Acta Crystallographica Section C","2008","64","4","o233","o236","10.1107/S0108270108006963","","","0.71073","MoKα","","0.0533","0.0374","","","0.0881","0.0983","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016570","16.1215","0.0014","5.763","0.0003","14.3795","0.0013","90","","90.592","0.007","90","","1335.9","0.18","293","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","tribarium dilithium divanadate tetrachloride","","- Ba3 Cl4 Li2 O7 V2 -","- Ba3 Cl4 Li2 O7 V2 -","- Ba12 Cl16 Li8 O28 V8 -","4","0.5","SQ3118","Reeswinkel, Thomas; Sparta, Karine M.; Roth, Georg","Ba~3~Li~2~V~2~O~7~Cl~4~, a new vanadate with a channel structure","Acta Crystallographica Section C","2008","64","4","i38","i40","10.1107/S0108270108002801","","","0.71073","MoKα","","","0.024","","","","0.0346","","","","","","1.614","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016571","8.999","0.0007","12.7766","0.0007","14.0652","0.0008","92.661","0.002","102.77","0.002","97.389","0.002","1559.38","0.17","123.1","","","","","","","","","","","6","P -1","-P 1","2","","(N-{[4-(1,3-Benzothiazol-2-yl)anilino]carbonylmethyl-κO}iminodiacetato- κ^3^O,N,O')(1,10-phenanthroline-κ^2^N,N')cobalt(II) pentahydrate","","- C31 H33 Co N5 O10 S -","- C31 H33 Co N5 O10 S -","- C62 H66 Co2 N10 O20 S2 -","2","1","SQ3122","Lin, Guo-Wu; Wang, Yue; Lu, Tao","(<i>N</i>-{[4-(1,3-Benzothiazol-2-yl)anilino]carbonylmethyl-κ<i>O</i>}iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) pentahydrate","Acta Crystallographica Section C","2008","64","4","m179","m181","10.1107/S0108270108006306","","","0.71075","MoKα","","","0.0409","","","","0.1175","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016572","6.978","0.002","7.2034","0.0002","20.145","0.001","83.97","0.002","89.286","0.003","83.597","0.002","1000.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexaquacobalt(II) bis(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromene-6-sulfonate) tetrahydrate","","- C32 H42 Co O24 S2 -","- C32 H42 Co O24 S2 -","- C32 H42 Co O24 S2 -","1","0.5","SQ3126","Li, Wu-Wu; Zhang, Zun-Ting","Hexaquacobalt(II) bis(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4<i>H</i>-chromene-6-sulfonate) tetrahydrate","Acta Crystallographica Section C","2008","64","4","m176","m178","10.1107/S0108270108006975","","","0.71073","MoKα","","0.0444","0.0371","","","0.1222","0.1312","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016573","16.02","0.003","7.4892","0.0015","9.1211","0.0018","90","","113.23","0.03","90","","1005.6","0.4","263","2","263","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","catena-Poly[[(acetato-κ^2^O,O')triaquabarium(II)]- μ~3~-acetato-κ^4^O:O,O':O']","","- C4 H12 Ba O7 -","- C4 H12 Ba O7 -","- C16 H48 Ba4 O28 -","4","0.5","SQ3131","Freire, Eleonora; Baggio, Ricardo","<i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')triaquabarium(II)]-μ~3~-acetato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2008","64","4","m164","m166","10.1107/S0108270108006057","","","0.71073","MoKα","","0.0354","0.0324","","","0.0833","0.0847","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016574","11.5658","0.0004","8.0116","0.0003","12.2308","0.0004","90","","93.453","0.002","90","","1131.26","0.07","296.1","","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1-Pyridinio)perfluorophenacylide","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","SQ3132","Yamada, Shinji; Ohta, Emiko","(1-Pyridinio)perfluorophenacylide: a new stable pyridinium ylide in the enol form","Acta Crystallographica Section C","2008","64","4","o230","o232","10.1107/S0108270108006318","","","1.54187","CuKα","","0.0372","0.0339","","","0.0984","0.104","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016575","7.9484","0.0007","13.6135","0.0011","9.5596","0.0008","90","","93.026","0.003","90","","1032.96","0.15","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","{η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7- trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2- yloxy}benzene}tricarbonylchromium","","- C22 H26 Cr O6 -","- C22 H26 Cr O6 -","- C44 H52 Cr2 O12 -","2","1","TR3032","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, Nathalie M.; Pinkerton, A. Alan","1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium","Acta Crystallographica Section C","2008","64","4","m147","m148","10.1107/S0108270108004666","","","0.71073","MoKα","","0.045","0.0404","","","0.0886","0.0899","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016576","6.2701","0.0012","6.4816","0.0012","19.616","0.004","95.807","0.003","93.091","0.003","93.76","0.003","789.9","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","Hexaaquanickel(II) bis[2-carboxylato-2-(isothiouronium-<i>S</i>-ylmethyl)propane-1,3-diyl phosphate] hexahydrate","","- C12 H44 N4 Ni O24 P2 S2 -","- C12 H44 N4 Ni O24 P2 S2 -","- C12 H44 N4 Ni O24 P2 S2 -","1","0.5","AV3143","Guo, Ming-Lin; Wang, Feng-Qin; Zang, Hong-Jun","Hexaaquanickel(II) bis[2-carboxylato-2-(isothiouronium-<i>S</i>-ylmethyl)propane-1,3-diyl phosphate] hexahydrate","Acta Crystallographica Section C","2008","64","5","m198","m200","10.1107/S0108270108007956","","","0.71073","MoKα","","0.0366","0.0318","","","0.0814","0.0842","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016577","14.0939","0.0002","6.952","0.0006","8.6661","0.0007","90","","99.226","0.003","90","","838.13","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","0.5","AV3145","Zhang, Min; Meng, Xiang-Gao; Hu, Zong-Qiu; Xu, Xing-Man","A two-dimensional layer in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","Acta Crystallographica Section C","2008","64","5","o272","o275","10.1107/S0108270108008937","","","0.71073","Mokα","","0.0602","0.0493","","","0.1362","0.1432","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016578","12.8926","0.0012","5.8332","0.0006","15.1397","0.0015","90","","106.779","0.002","90","","1090.11","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","","- C18 H26 Cl2 N2 O10 -","- C18 H26 Cl2 N2 O10 -","- C36 H52 Cl4 N4 O20 -","2","0.5","AV3145","Zhang, Min; Meng, Xiang-Gao; Hu, Zong-Qiu; Xu, Xing-Man","A two-dimensional layer in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)","Acta Crystallographica Section C","2008","64","5","o272","o275","10.1107/S0108270108008937","","","0.71073","Mokα","","0.0683","0.0602","","","0.1588","0.1638","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016579","17.536","0.005","8.016","0.002","22.814","0.008","90","","90","","90","","3206.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(methanol-κO)nickel(II)","","- C34 H34 N4 Ni O6 -","- C34 H34 N4 Ni O6 -","- C136 H136 N16 Ni4 O24 -","4","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.051","0.0354","","","0.0933","0.1019","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016580","7.699","0.006","9.814","0.005","12.412","0.007","78.02","0.02","82.59","0.03","79","0.03","896.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(pyridine-κN)nickel(II)","","- C42 H36 N6 Ni O4 -","- C42 H36 N6 Ni O4 -","- C42 H36 N6 Ni O4 -","1","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.0549","0.0422","","","0.0954","0.1","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016581","10.4399","0.0011","12.0367","0.0013","16.62","0.0018","95.979","0.002","93.739","0.002","115.549","0.002","1859.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-bis(1,3-dimethylimidazolin-2-ylideneamino)pyridinium perchlorate","","- C15 H24 Cl N7 O4 -","- C15 H24 Cl N7 O4 -","- C60 H96 Cl4 N28 O16 -","4","2","EM3010","Neuba, Adam; Akin, Enver; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","Rare examples of base pairing <i>via</i> a protonated pyridine N atom in two salts of <i>N</i>^2^,<i>N</i>^6^-bis(1,3-dimethylimidazolin-2-ylidene)pyridine-2,6-diamine","Acta Crystallographica Section C","2008","64","5","m194","m197","10.1107/S0108270108007567","","","0.71073","MoKα","","0.1625","0.0644","","","0.121","0.1472","","","","","","0.828","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016582","10.5673","0.0008","10.9286","0.0008","18.3329","0.0014","90","","99.438","0.002","90","","2088.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{2,6-bis[(1,3-dimethylimidazolin-2-ylidene)amino]pyridinium} μ-oxido-bis[trichloridoiron(III)]","","- C30 H48 Cl6 Fe2 N14 O -","- C30 H48 Cl6 Fe2 N14 O -","- C60 H96 Cl12 Fe4 N28 O2 -","2","0.5","EM3010","Neuba, Adam; Akin, Enver; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald","Rare examples of base pairing <i>via</i> a protonated pyridine N atom in two salts of <i>N</i>^2^,<i>N</i>^6^-bis(1,3-dimethylimidazolin-2-ylidene)pyridine-2,6-diamine","Acta Crystallographica Section C","2008","64","5","m194","m197","10.1107/S0108270108007567","","","0.71073","MoKα","","0.058","0.0445","","","0.1071","0.1131","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016583","12.25","0.002","12.25","0.002","12.25","0.002","90","","90","","90","","1838.3","0.5","298","2","298","2","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium diiron(III) triarsenate","","- As3 Fe2 Na3 O12 -","- As3 Fe2 Na3 O12 -","- As24 Fe16 Na24 O96 -","8","0.0833333","FA3138","Ouerfelli, Najoua; Guesmi, Abderrahmen; Mazza, Daniele; Zid, Mohamed Faouzi; Driss, Ahmed","L'arséniate Na~3~Fe~2~(AsO~4~)~3~: étude structurale de la forme basse température et simulation des propriétés de conduction des cations alcalins","Acta Crystallographica Section C","2008","64","5","i41","i44","10.1107/S0108270108009050","","","0.71073","MoKα","","0.0297","0.0288","","","0.0763","0.0766","","","","","","1.36","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2016584","41.064","0.003","9.359","0.0007","23.785","0.002","90","","107.625","0.002","90","","8711.9","1.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Zn(tpen)](ClO4)2 2/3H2O","[N,N,N',N'-tetrakis(2-pyridylmethyl)ethane-1,2-diamine-κ^6^N]zinc(II) diperchlorate 0.67-hydrate","","- C78 H88 Cl6 N18 O26 Zn3 -","- C26 H29.3333 Cl2 N6 O8.66667 Zn -","- C312 H352 Cl24 N72 O104 Zn12 -","12","1.5","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.037","","","","0.038","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016585","13.231","0.002","15.147","0.002","15.167","0.002","90","","94.634","0.003","90","","3029.7","0.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Zn(qtpen)](ClO4)2","[N,N,N'-tris(2-pyridylmethyl)-N'-(2-quinolmethyl)ethane-1,2-diamine-κ^6^N]- diperchlorate","","- C30 H30 Cl2 N6 O8 Zn -","- C30 H30 Cl2 N6 O8 Zn -","- C120 H120 Cl8 N24 O32 Zn4 -","4","1","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.03","","","","0.035","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016586","11.891","0.003","12.022","0.003","23.838","0.005","90","","90","","90","","3407.7","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Zn(bqbpen)](ClO4)2.H2O","[N,N'-bis(2-pyridylmethyl)-N,N'-bis(2-quinolmethyl)ethane-1,2-diamine-κ^6^N]- zinc(II) diperchlorate monohydrate","","- C34 H34 Cl2 N6 O9 Zn -","- C34 H34 Cl2 N6 O9 Zn -","- C136 H136 Cl8 N24 O36 Zn4 -","4","1","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.033","","","","0.038","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016587","21.834","0.006","12.948","0.004","23.502","0.01","90","","97.039","0.004","90","","6594","4","297","1","297","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","κ^2^N^3^:N^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1H-benzimidazol-2-yl)ethene-κ^2^N^3^:N^3'^] bis(perchlorate) acetonitrile disolvate]","","- C32 H33 Cl Cu N7 O4 -","- C32 H33 Cl Cu N7 O4.006 -","- C256 H264 Cl8 Cu8 N56 O32.048 -","8","1","GZ3116","Stibrany, Robert T.; Potenza, Joseph A.","An alternating copolymer containing trigonal planar homocoordinated copper(I) ions: <i>catena</i>-poly[[[bis[μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section C","2008","64","5","m213","m216","10.1107/S0108270108002618","","","0.71073","MoKα","","0.0426","0.0329","","","0.0906","0.0964","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016588","3.8011","0.0008","6.7639","0.0014","13.364","0.003","90","","96.82","0.03","90","","341.16","0.13","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1195","0.0456","","","0.1","0.1337","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016589","3.7938","0.0003","6.7564","0.0006","13.3672","0.0015","90","","96.639","0.003","90","","340.34","0.06","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1151","0.0521","","","0.1089","0.1392","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016590","3.788","0.0003","6.7482","0.0006","13.3755","0.0014","90","","96.47","0.03","90","","339.73","0.06","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1158","0.0447","","","0.0925","0.122","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016591","3.7801","0.0003","6.7338","0.0006","13.3758","0.0015","90","","96.34","0.03","90","","338.39","0.06","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.1085","0.0486","","","0.1017","0.1261","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016592","3.7635","0.0003","6.7201","0.0006","13.3762","0.0014","90","","96.13","0.03","90","","336.36","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0994","0.0471","","","0.0977","0.1194","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016593","3.7372","0.0002","6.6991","0.0005","13.3748","0.0013","90","","96.84","0.03","90","","332.47","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0832","0.0459","","","0.0956","0.1133","","","","","","1.079","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016594","3.7139","0.0002","6.6746","0.0005","13.3712","0.0013","90","","95.49","0.03","90","","329.94","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-chloro-4-nitrobenzene","4-chloronitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","0.5","HJ3058","Thomas, Lynne H.; Cole, Jacqueline M.; Wilson, Chick C.","Orientational disorder in 4-chloronitrobenzene","Acta Crystallographica Section C","2008","64","5","o296","o302","10.1107/S0108270108008998","","","0.71073","MoKα","","0.0756","0.0461","","","0.0934","0.1064","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016595","4.9394","0.0013","14.6718","0.0019","16.8181","0.0016","90","","90","","90","","1218.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-fluoro-7-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine","","- C11 H13 F N4 O4 -","- C11 H13 F N4 O4 -","- C44 H52 F4 N16 O16 -","4","1","HJ3068","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","7-Fluorotubercidin: a halogenated derivative of a naturally occurring nucleoside antimetabolite","Acta Crystallographica Section C","2008","64","5","o293","o295","10.1107/S0108270108010160","","","0.71073","MoKα","","0.0435","0.0387","","","0.1033","0.1069","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016596","15.734","0.009","10.614","0.006","7.717","0.003","90","","90","","90","","1288.7","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-[N-(2-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C52 H44 Cl4 N8 O12 S4 -","4","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.045","0.0334","","","0.075","0.0825","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016597","7.435","0.002","16.006","0.006","22.061","0.007","90","","90","","90","","2625.4","1.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C104 H88 Cl8 N16 O24 S8 -","8","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.0833","0.0449","","","0.1024","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016598","8.5964","0.0002","23.6415","0.0006","7.5383","0.0002","90","","90","","90","","1532.02","0.07","298","2","298","2","","","","","","","","3","C m c a","-C 2ac 2","64","","didysprosium heptanickel tritin","","- Dy2 Ni7 Sn3 -","- Dy2 Ni7 Sn3 -","- Dy16 Ni56 Sn24 -","8","","IZ3047","Romaka, V.; Gladyshevskii, R.; Marciniak, B.; Pavlyuk, V.","Dy~2~Ni~7~Sn~3~: a new member of the CaCu~5~ family of intermetallics","Acta Crystallographica Section C","2008","64","5","i45","i46","10.1107/S0108270108009657","","","0.71073","MoKα","","0.0408","0.0281","","","0.0584","0.0666","","","","","","1.24","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016599","9.4309","0.0004","9.4309","0.0004","38.4799","0.0017","90","","90","","120","","2963.9","0.2","296","","296","","","","","","","","","6","P 32","P 32","145","","diiodidobis(4-methoxyphenyl)tellurium(II) dimethyl sulfoxide hemisolvate","","- C15 H17 I2 O2.5 S0.5 Te -","- C15 H17 I2 O2.5 S0.5 Te -","- C90 H102 I12 O15 S3 Te6 -","6","2","JZ3121","Farran, Joan; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Friese, Karen","Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate","Acta Crystallographica Section C","2008","64","5","o257","o260","10.1107/S0108270108007804","","","0.71073","MoKα","","0.037","0.0312","","","0.0319","0.0329","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016600","6.83","0.0005","14.6428","0.0014","12.565","0.0009","90","","104.903","0.009","90","","1214.36","0.18","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetraaqua-2κ^4^O-di-μ~2~-4,4'-bi-1,2,4-triazole- 1:2κ^2^N^1^:N^1'^,2:3κ^2^N^1^:N^1'^-hexachlorido-1κ^3^Cl,3κ^3^Cl- trizinc(II)","","- C8 H16 Cl6 N12 O4 Zn3 -","- C8 H16 Cl6 N12 O4 Zn3 -","- C16 H32 Cl12 N24 O8 Zn6 -","2","0.5","JZ3126","Govor, Evgen V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.","Zinc(II) and cadmium(II) chloride complexes with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","5","m201","m204","10.1107/S0108270108008779","","","0.71073","MoKα","","0.0327","0.0241","","","0.0548","0.0558","","","","","","0.885","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016601","21.789","0.002","6.3833","0.0004","13.8073","0.0013","90","","107.468","0.011","90","","1831.8","0.3","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-4,4'-bi-1,2,4-triazole-κ^2^N^1^:N^2^-di-μ~2~-chlorido]","","- C4 H4 Cd Cl2 N6 -","- C4 H4 Cd Cl2 N6 -","- C32 H32 Cd8 Cl16 N48 -","8","1","JZ3126","Govor, Evgen V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.","Zinc(II) and cadmium(II) chloride complexes with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","5","m201","m204","10.1107/S0108270108008779","","","0.71073","MoKα","","0.0311","0.027","","","0.0683","0.0692","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016602","9.442","0.002","7.6914","0.0016","23.09","0.005","90","","93.733","0.003","90","","1673.3","0.6","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","20-Desmethyl-β-carotene","20-nor-β,β-carotene","","- C39 H54 -","- C39 H54 -","- C78 H108 -","2","1","JZ3128","Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James","Two polymorphs of 20-desmethyl-β-carotene","Acta Crystallographica Section C","2008","64","5","o252","o256","10.1107/S0108270108007816","","","0.71073","MoKα","","0.1359","0.0579","","","0.0964","0.1115","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016603","8.5717","0.0013","14.089","0.002","15.638","0.002","111.776","0.002","99.304","0.003","99.084","0.003","1681.1","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","20-Desmethyl-β-carotene","20-nor-β,β-carotene","","- C39 H54 -","- C39 H54 -","- C78 H108 -","2","1","JZ3128","Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James","Two polymorphs of 20-desmethyl-β-carotene","Acta Crystallographica Section C","2008","64","5","o252","o256","10.1107/S0108270108007816","","","0.71073","MoKα","","0.0863","0.0521","","","0.1259","0.1419","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016604","15.61","0.0012","13.2847","0.001","17.2233","0.0013","90","","91.358","0.006","90","","3570.7","0.5","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate","","- C20 H18 Cl2 N O1.5 -","- C20 H18 Cl2 N O1.5 -","- C160 H144 Cl16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0616","0.0362","","","0.0929","0.1039","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016605","15.6975","0.0008","13.5505","0.0007","17.2562","0.001","90","","92.879","0.004","90","","3665.9","0.3","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-bromobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium bromide hemihydrate","","- C20 H18 Br2 N O1.5 -","- C20 H18 Br2 N O1.5 -","- C160 H144 Br16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0575","0.028","","","0.065","0.0744","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016606","6.517","0.001","6.807","0.001","14.777","0.003","90","","90.36","0.02","90","","655.51","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium chloride","","- C2 H7 Cl N4 S -","- C2 H7 Cl N4 S -","- C8 H28 Cl4 N16 S4 -","4","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0532","0.0302","","","0.0573","0.0619","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016607","4.9661","0.0009","7.4841","0.0017","9.5739","0.0019","94.22","0.014","90.091","0.011","104.012","0.015","344.24","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium bromide","","- C2 H7 Br N4 S -","- C2 H7 Br N4 S -","- C4 H14 Br2 N8 S2 -","2","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0481","0.0355","","","0.0788","0.0852","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016608","10.929","0.003","7.875","0.001","9.456","0.002","90","","111.1","0.01","90","","759.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium iodide","","- C2 H7 I N4 S -","- C2 H7 I N4 S -","- C8 H28 I4 N16 S4 -","4","1","SK3208","Perpétuo, Genivaldo Júlio; Janczak, Jan","The chloride, bromide and iodide salts of 1-(diaminomethylene)thiouron-1-ium","Acta Crystallographica Section C","2008","64","5","o264","o268","10.1107/S0108270108008688","","","0.71073","MoKα","","0.0245","0.0212","","","0.0523","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016609","5.0425","0.0006","9.2564","0.001","11.4901","0.0013","90","","102.492","0.002","90","","523.61","0.1","140","2","140","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","1,3-bis(n-ethylamino)-2-nitrobenzene","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C20 H30 N6 O4 -","2","0.5","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0511","0.0463","","","0.1182","0.1207","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016610","21.5603","0.0016","9.1066","0.0007","12.6778","0.001","90","","121.56","0.002","90","","2121","0.3","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis(n-octylamino)-2-nitrobenzene","","- C22 H39 N3 O2 -","- C22 H39 N3 O2 -","- C88 H156 N12 O8 -","4","0.5","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0709","0.0538","","","0.1394","0.1493","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016611","9.6166","0.0003","16.2072","0.0005","12.1236","0.0003","90","","93.278","0.001","90","","1886.47","0.1","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-n-ethyl-2-methyl-1H-benzimidazole","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","2","SK3210","Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin","1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2008","64","5","o248","o251","10.1107/S0108270108008275","","","0.71073","MoKα","","0.0482","0.0444","","","0.1157","0.1181","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016612","5.8862","0.0001","15.0988","0.0003","21.5413","0.0004","90","","90","","90","","1914.47","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0519","0.0402","","","0.1136","0.1228","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016613","6.2955","0.0001","11.893","0.0001","27.9396","0.0004","90","","90","","90","","2091.9","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-20-oxopregnan-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0492","0.0414","","","0.1192","0.1268","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016614","15.243","0.0007","7.5653","0.0005","14.1276","0.0009","90","","117.247","0.004","90","","1448.39","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentaaqua(biuret-κ^2^O,O')scandium(III) trichloride monohydrate,","","- C2 H17 Cl3 N3 O8 Sc -","- C2 H17 Cl3 N3 O8 Sc -","- C8 H68 Cl12 N12 O32 Sc4 -","4","1","SK3214","Harrison, William T. A.","Two scandium‒biuret complexes: [Sc(C~2~H~5~N~3~O~2~)(H~2~O)~5~]Cl~3~·H~2~O and [Sc(C~2~H~5~N~3~O~2~)~4~](NO~3~)~3~","Acta Crystallographica Section C","2008","64","5","m205","m208","10.1107/S010827010800824X","","","0.71073","MoKα","","0.0277","0.0234","","","0.0575","0.0597","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016615","19.2409","0.0013","7.0167","0.0004","17.4653","0.0013","90","","107.344","0.004","90","","2250.7","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(biuret-κ^2^O,O')scandium(III) trinitrate","","- C8 H20 N15 O17 Sc -","- C8 H20 N15 O17 Sc -","- C32 H80 N60 O68 Sc4 -","4","0.5","SK3214","Harrison, William T. A.","Two scandium‒biuret complexes: [Sc(C~2~H~5~N~3~O~2~)(H~2~O)~5~]Cl~3~·H~2~O and [Sc(C~2~H~5~N~3~O~2~)~4~](NO~3~)~3~","Acta Crystallographica Section C","2008","64","5","m205","m208","10.1107/S010827010800824X","","","0.71073","MoKα","","0.0957","0.0506","","","0.1046","0.1216","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016616","9.8821","0.0008","11.017","0.0009","12.2592","0.001","83.444","0.001","88.054","0.001","84.345","0.001","1319.14","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2'-dithiodibenzoic acid‒isonicotinohydrazide (1/2)","","- C26 H24 N6 O6 S2 -","- C26 H24 N6 O6 S2 -","- C52 H48 N12 O12 S4 -","2","1","SK3220","Meng, Xiang-Gao; Xiao, Yi-Long; Zhang, Hang; Zhou, Chun-Shan","Hydrogen-bonded layers in the 1:2 cocrystal of 2,2'-dithiodibenzoic acid with isonicotinohydrazide","Acta Crystallographica Section C","2008","64","5","o261","o263","10.1107/S0108270108008925","","","0.71073","Mokα","","0.0867","0.0572","","","0.1261","0.137","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016617","7.4518","0.0002","17.2432","0.0003","10.0691","0.0002","90","","90","","90","","1293.81","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-iodo-2,2':6',2''-terpyridine","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C60 H40 I4 N12 -","4","1","SK3224","Fallahpour, Reza-Ali; Linden, Anthony","4'-Iodo-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","o283","o285","10.1107/S0108270108010354","","","0.71073","MoKα","","0.0422","0.04","","","0.0946","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016618","18.8426","0.0004","17.1996","0.0004","18.0722","0.0004","90","","97.08","0.001","90","","5812.3","0.2","176","2","176","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate","","- C62 H62 Br4 Cl2 N4 O4 -","- C62 H62 Br4 Cl2 N4 O4 -","- C248 H248 Br16 Cl8 N16 O16 -","4","1","SQ3133","Bhyrappa, P.; Arunkumar, C.; Varghese, B.","2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate","Acta Crystallographica Section C","2008","64","5","o276","o278","10.1107/S0108270108009645","","","0.71073","MoKα","","0.0885","0.0514","","","0.1209","0.1445","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016619","13.304","0.013","12.125","0.012","27.3","0.03","90","","110.761","0.012","90","","4118","7","120.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) bis(tetrafluoridoborate) nitromethane solvate","","- C45 H31 B2 Co F8 N9 O2 -","- C45 H31 B2 Co F8 N9 O2 -","- C180 H124 B8 Co4 F32 N36 O8 -","4","1","SQ3135","Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi","Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","m209","m212","10.1107/S010827010800992X","","","0.7107","MoKα","","","0.0698","","","","0.1685","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016620","37.8","0.02","10.748","0.006","22.99","0.01","90","","102.388","0.009","90","","9123","8","110.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(III) tris(tetrafluoridoborate) nitromethane sesquisolvate","","- C91 H65 B6 Co2 F24 N19 O6 -","- C45.5 H32.5 B3 Co F12 N9.5 O3 -","- C364 H260 B24 Co8 F96 N76 O24 -","8","1","SQ3135","Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi","Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","m209","m212","10.1107/S010827010800992X","","","0.7107","MoKα","","","0.0963","","","","0.2376","","","","","","1.168","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016621","6.542","0.005","9.324","0.008","17.631","0.014","77.594","0.017","84","0.02","89.39","0.02","1044.5","1.5","298","","","","","","","","","","","4","P -1","-P 1","2","Desvenlafaxine succinate monohydrate","[2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]dimethylammonium 3-carboxypropanoate monohydrate","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","SQ3139","Venu, Nalivela; Sreekanth, Bukkapattanam R.; Ram, Thaimattam; Devarakonda, Surya","Desvenlafaxine succinate monohydrate","Acta Crystallographica Section C","2008","64","5","o290","o292","10.1107/S0108270108010019","","","0.7107","MoKα","","","0.065","","","","0.1005","","","","","","1.253","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016622","6.8227","0.001","19.7775","0.0004","20.3661","0.0004","90","","94.905","0.001","90","","2738.1","0.4","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]- 3',4'-(ethylenedithio)tetrathiafulvalene","2-(1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-6,6- bis(methoxyethoxymethoxymethyl)-1,3-dithiolo[4,5-b][1,4]dithiepine","","- C21 H30 O6 S8 -","- C21 H30 O6 S8 -","- C84 H120 O24 S32 -","4","1","SU3017","Brooks, Andrew C.; Day, Peter; Wallis, John D.","3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]-3',4'-(ethylenedithio)tetrathiafulvalene: a spiro-substituted BEDT‒TTF analogue","Acta Crystallographica Section C","2008","64","5","o245","o247","10.1107/S0108270108005933","","","0.71073","MoKα","","0.0422","0.0287","","","0.059","0.0634","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016623","17.167","0.003","5.843","0.004","8.754","0.003","90","","90","","90","","878.1","0.7","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","Potassium dihydrobis(pyrazol-1-yl)borate","Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)]","","- C6 H8 B K N4 -","- C6 H8 B K N4 -","- C24 H32 B4 K4 N16 -","4","0.5","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0242","0.0237","","","0.0563","0.0564","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016624","15.119","0.003","13.862","0.002","15.453","0.003","90","","99.319","0.003","90","","3195.9","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(k2-N2-Bp)Mg(THF)(u-Cl)2Mg(THF)2(k2-N2-Bp)]","di-μ-chlorido-bis[dihydridobis(pyrazol-1-yl)borato]- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-tris(tetrahydrofuran)- 1κ^2^O,2κO-dimagnesium(II)","","- C24 H40 B2 Cl2 Mg2 N8 O3 -","- C24 H40 B2 Cl2 Mg2 N8 O3 -","- C96 H160 B8 Cl8 Mg8 N32 O12 -","4","1","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0682","0.0542","","","0.1257","0.1331","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016625","9.951","0.003","10.741","0.002","20.996","0.003","99.137","0.005","97.41","0.004","107.909","0.003","2070.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(k2-N2-Bp)Mg(THF)]","bis[dihydridobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>'](tetrahydrofuran- κO)magnesium(II)","","- C16 H24 B2 Mg N8 O -","- C16 H24 B2 Mg N8 O -","- C64 H96 B8 Mg4 N32 O4 -","4","2","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0841","0.0489","","","0.1032","0.1152","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016626","9.4171","0.0019","10.936","0.002","13.013","0.003","94.069","0.003","109.329","0.003","105.568","0.003","1199.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(k2-N2-Bp)2Mg(THF)2]","bis[dihydridobis(pyrazol-1-yl)borato- κ^2^<i>N</i>,<i>N</i>']bis(tetrahydrofuran-κO)magnesium(II)","","- C20 H32 B2 Mg N8 O2 -","- C20 H32 B2 Mg N8 O2 -","- C40 H64 B4 Mg2 N16 O4 -","2","1","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0513","0.0425","","","0.1065","0.1093","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016627","5.2779","0.0006","6.6526","0.0007","10.4424","0.0015","86.84","0.011","76.844","0.011","70.097","0.01","335.6","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium hemioxalate","","","- C8 H16 N2 O8 S2 -","- C8 H16 N2 O8 S2 -","- C8 H16 N2 O8 S2 -","1","0.5","AV3146","Drebushchak, Tatiana N.; Bizyaev, Sergey N.; Boldyreva, Elena V.","Bis(<small>DL</small>-cysteinium) oxalate","Acta Crystallographica Section C","2008","64","6","o313","o315","10.1107/S0108270108012341","","","0.71073","MoKα","","0.0614","0.0408","","","0.1051","0.1166","","","","","","1.08","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2016628","43.253","0.003","9.9863","0.0008","44.354","0.003","90","","113.496","0.004","90","","17570","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","chloridotris(triphenylphosphine-κP)copper(I)","","- C54 H45 Cl Cu P3 -","- C54 H45 Cl Cu P3 -","- C864 H720 Cl16 Cu16 P48 -","16","2","BG3066","Machado, Aline; Manzoni de Oliveira, Gelson N.; Fenner, Herton; Burrow, Robert A.","A centrosymmetric polymorph of chloridotris(triphenylphosphine-κ<i>P</i>)copper(I) at 150K","Acta Crystallographica Section C","2008","64","6","m233","m236","10.1107/S0108270108011232","","","0.71073","MoKα","","0.0895","0.0523","","","0.1201","0.1372","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016629","15.5007","0.0009","17.4385","0.0009","17.2438","0.0012","90","","91.003","0.005","90","","4660.4","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(1,2-dimethoxyethane-κ^2^O,O')sodium bis(tri-tert-butoxysilanethiolato-κ^2^O,S)sodate","","- C32 H74 Na2 O10 S2 Si2 -","- C32 H74 Na2 O10 S2 Si2 -","- C128 H296 Na8 O40 S8 Si8 -","4","1","BG3075","Chojnacki, Jaroslaw; Ciborska, Anna; Wojnowski, Wieslaw","A study of chirality in bis(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')sodium bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)sodate","Acta Crystallographica Section C","2008","64","6","m240","m242","10.1107/S0108270108015242","","","0.71073","MoKα","","","0.0491","","","","0.1086","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016630","9.3257","0.0002","16.7918","0.0004","9.86","0.0002","90","","110.693","0.001","90","","1444.42","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfasymazine","4-amino-<i>N</i>-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide","","- C13 H17 N5 O2 S -","- C13 H17 N5 O2 S -","- C52 H68 N20 O8 S4 -","4","1","EM3013","Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.","Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine","Acta Crystallographica Section C","2008","64","6","o309","o312","10.1107/S0108270108011888","","","0.71073","MoKα","","0.0535","0.0424","","","0.1081","0.1143","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016631","8.1566","0.0003","8.6577","0.0004","10.541","0.0004","97.18","0.003","103.374","0.002","109.255","0.002","667.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","sulfatriazine","4-amino-<i>N</i>-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide","","- C11 H13 N5 O4 S -","- C11 H13 N5 O4 S -","- C22 H26 N10 O8 S2 -","2","1","EM3013","Haddow, Mairi F.; Gelbrich, Thomas; Griesser, Ulrich J.","Similar sulfonamides with different crystal structures: sulfasymazine and sulfatriazine","Acta Crystallographica Section C","2008","64","6","o309","o312","10.1107/S0108270108011888","","","0.71073","MoKα","","0.0626","0.052","","","0.1456","0.1566","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016632","18.4646","0.0009","9.093","0.0003","28.0986","0.0014","90","","112.774","0.004","90","","4349.9","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}- 1κ^3^N,N',N'';3κ^3^N,N',N''-di-μ-chlorido-trichlorido-1λCl,2κCl,3κCl- copper(I)dicopper(II)","","- C42 H34 Cl5 Cu3 F4 N6 -","- C42 H34 Cl5 Cu3 F4 N6 -","- C168 H136 Cl20 Cu12 F16 N24 -","4","1","GA3087","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-trichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>,3κ<i>Cl</i>-2-copper(I)-1,3-dicopper(II)","Acta Crystallographica Section C","2008","64","6","m224","m227","10.1107/S0108270108012237","","","0.71073","MoKα","","0.0537","0.0323","","","0.0666","0.0721","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016633","5.8011","0.0009","8.4511","0.0014","9.43","0.002","109.15","0.02","91.441","0.01","104.639","0.011","419.59","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium perchlorate","","- C2 H7 Cl N4 O4 S -","- C2 H7 Cl N4 O4 S -","- C4 H14 Cl2 N8 O8 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0517","0.0358","","","0.0895","0.0967","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016634","7.8371","0.0011","8.103","0.002","8.104","0.002","60.88","0.01","65.99","0.01","87.54","0.02","402.86","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium hydrogen sulfate","","- C2 H8 N4 O4 S2 -","- C2 H8 N4 O4 S2 -","- C4 H16 N8 O8 S4 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0312","0.0286","","","0.0681","0.0703","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016635","4.5229","0.0008","8.3241","0.0011","11.574","0.002","88.16","0.012","86.191","0.011","87.359","0.01","434.14","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium dihydrogen phosphate","","- C2 H9 N4 O4 P S -","- C2 H9 N4 O4 P S -","- C4 H18 N8 O8 P2 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0328","0.0272","","","0.068","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016636","4.725","0.0008","8.4071","0.001","11.3841","0.0019","89.402","0.011","86.84","0.012","88.871","0.014","451.42","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium dihydrogen arsenate","","- C2 H9 As N4 O4 S -","- C2 H9 As N4 O4 S -","- C4 H18 As2 N8 O8 S2 -","2","1","GA3088","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate","Acta Crystallographica Section C","2008","64","6","o330","o334","10.1107/S0108270108013504","","","0.71073","MoKα","","0.0444","0.041","","","0.1046","0.1092","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016637","20.37","0.003","3.7506","0.0006","24.07","0.003","90","","94.873","0.003","90","","1832.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-nitrophenol‒acetamide (1:1)","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C64 H80 N16 O32 -","8","2","GD3203","Loureiro, Rui M. S.; Johnstone, Robert A. W.; Labat, Gaël","Hydrogen-bond patterns in the congruent complex 4-nitrophenol‒acetamide (1/1)","Acta Crystallographica Section C","2008","64","6","o306","o308","10.1107/S0108270108011530","","","0.71073","MoKα","","0.0825","0.0698","","","0.1766","0.1851","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016638","15.158","0.002","14.8108","0.0015","7.4512","0.0011","90","","111.892","0.011","90","","1552.2","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-cyanido-\ κ^2^C:N)bis(cyanido-κC)nickel(II)copper(II)]","","- C14 H12 Cu N6 Ni O2 -","- C14 H12 Cu N6 Ni O2 -","- C56 H48 Cu4 N24 Ni4 O8 -","4","0.5","GD3207","Sereda, Olha; Stoeckli-Evans, Helen","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(cyanido-κ<i>C</i>)nickel(II)copper(II)]: a metal‒organic cyanide-bridged framework","Acta Crystallographica Section C","2008","64","6","m221","m223","10.1107/S0108270108011694","","","0.71073","MoKα","","0.0254","0.0206","","","0.0525","0.0539","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016639","6.9565","0.0007","41.727","0.004","13.4827","0.0015","90","","90","","90","","3913.7","0.7","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","","- C38 H31 F15 N8 O3 -","- C38 H31 F15 N8 O3 -","- C152 H124 F60 N32 O12 -","4","0.5","GG3148","Domasevitch, Konstantin V.","3,3',5,5'-Tetramethyl-4,4'-bipyrazole‒pentafluorophenol (2/3)","Acta Crystallographica Section C","2008","64","6","o326","o329","10.1107/S0108270108013632","","","0.71073","MoKα","","0.0471","0.039","","","0.1009","0.1055","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016640","10.4298","0.0015","13.96","0.002","14.701","0.002","82.296","0.002","84.921","0.002","74.872","0.002","2044.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28- tetrayltetraoxy)tetraacetate","","- C36 H28 Br4 O12 S4 -","- C36 H28 Br4 O12 S4 -","- C72 H56 Br8 O24 S8 -","2","1","GG3153","Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun","1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate","Acta Crystallographica Section C","2008","64","6","o349","o352","10.1107/S0108270108013838","","","0.71073","MoKα","","0.0489","0.0353","","","0.0858","0.0907","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016641","23.06","0.004","13.547","0.002","20.083","0.004","90","","122.89","0.002","90","","5268.2","1.6","173","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene- 25,26,27,28-tetrayltetraoxy)tetraacetate","","- C52 H64 O12 S4 -","- C52 H64 O12 S4 -","- C208 H256 O48 S16 -","4","0.5","GG3153","Xu, Wei-Na; Yuan, Jiu-Mao; Liu, Yang; Ma, Jian-Ping; Guo, Dian-Shun","1,3-Alternate and partial cone conformers of tetramethyl (5,11,17,23-tetra-<i>tert</i>-butyl-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate and tetramethyl (5,11,17,23-tetrabromo-2,8,14,20-tetrathiacalix[4]arene-25,26,27,28-tetrayltetraoxy)tetraacetate","Acta Crystallographica Section C","2008","64","6","o349","o352","10.1107/S0108270108013838","","","0.71073","MoKα","","0.0778","0.0611","","","0.1538","0.1637","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016642","14.1973","0.0017","4.3526","0.0004","14.9151","0.0014","90","","115.484","0.008","90","","832.01","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Iodoquinoline","","- C9 H6 I N -","- C9 H6 I N -","- C36 H24 I4 N4 -","4","1","HJ3071","Singh, Latika; Mobin, Shaikh M.; Talwar, Satya S.","4-Iodoquinoline","Acta Crystallographica Section C","2008","64","6","o316","o318","10.1107/S0108270108011682","","","0.71073","MoKα","","0.0392","0.0305","","","0.0713","0.0747","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016643","18.326","0.003","10.3875","0.0014","8.2618","0.0012","90","","90","","90","","1572.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-phenyl-1-pyrroline","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole","","- C10 H11 N -","- C10 H11 N -","- C80 H88 N8 -","8","1","HJ3072","Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole: the first example of a planar monosubstituted 1-pyrroline","Acta Crystallographica Section C","2008","64","6","o303","o305","10.1107/S0108270108011360","","","0.71073","MoKα","","0.0531","0.0422","","","0.1128","0.1202","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016644","7.0529","0.0011","10.2407","0.0012","12.1199","0.0015","90","","90","","90","","875.4","0.2","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-cysteinium hemioxalate","L-Cysteinium hemioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","LN3098","Minkov, Vasil S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate","Acta Crystallographica Section C","2008","64","6","o344","o348","10.1107/S0108270108014911","","","0.71073","MoKα","","0.0443","0.0336","","","0.0694","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016645","7.2649","0.0005","8.9459","0.0007","9.6844","0.0007","75.406","0.001","72.731","0.001","77.966","0.002","575.52","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-methylimidazolium hydrogen terephthalate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C24 H24 N4 O8 -","2","1","SK3225","Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min","Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate","Acta Crystallographica Section C","2008","64","6","o322","o325","10.1107/S0108270108013024","","","0.71073","Mokα","","0.0573","0.0491","","","0.1492","0.1555","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016646","10.7759","0.0007","7.5608","0.0005","10.3254","0.0007","90","","103.454","0.001","90","","818.17","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4-methylimidazolium) terephthalate","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C32 H36 N8 O8 -","2","0.5","SK3225","Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min","Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate","Acta Crystallographica Section C","2008","64","6","o322","o325","10.1107/S0108270108013024","","","0.71073","Mokα","","0.0596","0.0484","","","0.1414","0.1505","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016647","5.7537","0.0003","11.2421","0.0004","15.1672","0.0007","90","","94.188","0.002","90","","978.45","0.08","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0885","0.0477","","","0.1095","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016648","5.9832","0.0003","11.1508","0.0005","14.8921","0.0007","90","","94.986","0.003","90","","989.8","0.08","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0609","0.0436","","","0.1092","0.1208","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016649","5.6506","0.0003","11.3882","0.0008","15.4314","0.0008","90","","95.602","0.003","90","","988.27","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-fluoro-<i>N</i>'-(4-pyridyl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","SK3227","Donnelly, Katie; Gallagher, John F.; Lough, Alan J.","Assembling an isomer grid: the isomorphous 4-, 3- and 2-fluoro-<i>N</i>'-(4-pyridyl)benzamides","Acta Crystallographica Section C","2008","64","6","o335","o340","10.1107/S0108270108012067","","","0.71073","MolybdenumKα","","0.0902","0.0512","","","0.1226","0.1468","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016650","23.943","0.005","13.445","0.002","12.336","0.005","90","","118.594","0.01","90","","3486.8","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,7- dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde","","- C20 H13 Cl N4 O4 -","- C20 H13 Cl N4 O4 -","- C160 H104 Cl8 N32 O32 -","8","1","SK3236","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","2-(4-Chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-<i>a</i>]pyrimidine-3,6-dicarbaldehyde: a chain of rings built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2008","64","6","o341","o343","10.1107/S0108270108014509","","","0.71073","MoKα","","0.1067","0.0505","","","0.1085","0.1387","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016651","12.6503","0.0005","17.177","0.0005","7.1379","0.0003","90","","105.009","0.002","90","","1498.11","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-Hydroxy-5-methoxy-6,8-dimethylflavanone","(2S)-7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-3,4-dihydrochromen-4(2H)-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","SQ3134","Dacunha-Marinho, Bruno; Martínez, Ana; Estévez, Ramón J.","7-Hydroxy-5-methoxy-6,8-dimethylflavanone: a natural flavonoid","Acta Crystallographica Section C","2008","64","6","o353","o356","10.1107/S0108270108014959","","","0.7107","MoKα","","0.1156","0.0662","","","0.1522","0.1698","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016652","7.8767","0.0004","12.7381","0.0006","9.344","0.0004","90","","90.756","0.004","90","","937.44","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[[μ-aqua-diaqua(μ~5~-propane-1,3- diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]","","- C11 H24 Co Li2 N2 O13 -","- C11 H24 Co Li2 N2 O13 -","- C22 H48 Co2 Li4 N4 O26 -","2","1","SQ3137","Rychlewska, Urszula; Warżajtis, Beata; Djuran, Miloš I.; Radanović, Dušanka D.; Dimitrijević, Mirjana Dj.; Rajković, Snežana","Coordination behaviour and two-dimensional-network formation in poly[[μ-aqua-diaqua(μ~5~-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an <i>M</i>^II^‒1,3-pdta complex with a monovalent metal counter-ion","Acta Crystallographica Section C","2008","64","6","m217","m220","10.1107/S0108270108010706","","","0.71073","MoKα","","0.0383","0.0276","","","0.0497","0.0517","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016653","11.234","0.004","11.576","0.0011","11.834","0.003","72.74","0.017","75.67","0.03","68.91","0.02","1354","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[FeL1a(3-apy)(MeOH)]","(3-aminopyridine-κN^1^){(<i>E</i>,<i>E</i>)-diethyl 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis(3-oxobutanate)(2-)- κ^2^O^3^,N,N',O^3'^}(methanol-κO)iron(II)","","- C26 H32 Fe N4 O7 -","- C26 H32 Fe N4 O7 -","- C52 H64 Fe2 N8 O14 -","2","1","SQ3144","Bauer, Wolfgang; Weber, Birgit","Magnetism and crystal structure of an N~3~O~3~-coordinated iron(II) complex","Acta Crystallographica Section C","2008","64","6","m237","m239","10.1107/S0108270108013498","","","0.71073","MoKα","","0.0588","0.0326","","","0.0748","0.0813","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016654","8.6898","0.001","9.2312","0.0012","12.3633","0.0014","72.377","0.011","73.574","0.01","67.681","0.009","858.41","0.19","298","2","296","1","101","2","","","","","","3","P -1","-P 1","2","","<i>rac</i>-9-Ethyl-12a-hydroxytetradecahydrotriphenylene- 1,5(2<i>H</i>,4b<i>H</i>)-dione","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","SU3020","García, Luis Arturo; Bernès, Sylvain; Anaya de Parrodi, Cecilia","<i>rac</i>-9-Ethyl-12a-hydroxytetradecahydrotriphenylene-1,5(2<i>H</i>,4b<i>H</i>)-dione: stabilization of a new isomer of a functionalized perhydrotriphenylene through a tandem Michael addition‒aldol reaction","Acta Crystallographica Section C","2008","64","6","o319","o321","10.1107/S0108270108011876","","","0.71073","MoKα","","0.0648","0.0419","","","0.1036","0.1185","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016655","11.362","0.002","7.5474","0.0015","13.029","0.003","90","","90.8","0.03","90","","1117.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3,4-dimethoxyphenyl)acetic acid monohydrate","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","AV3147","Hachuła, Barbara; Nowak, Maria; Kusz, Joachim","Hydrogen-bonding interactions in (3,4-dimethoxyphenyl)acetic acid monohydrate","Acta Crystallographica Section C","2008","64","7","o357","o360","10.1107/S0108270108014157","","","0.71073","MoKα","","0.0677","0.0496","","","0.143","0.1515","","","","","","1.154","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016656","9.8033","0.0006","10.4492","0.0007","11.2169","0.0007","100.573","0.002","94.878","0.002","102.446","0.003","1093.64","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","methyl isopropyl 2-(triphenylphosphoranyliden)malonate","","- C25 H25 O4 P -","- C25 H25 O4 P -","- C50 H50 O8 P2 -","2","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.082","0.0523","","","0.1181","0.1338","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016657","12.5175","0.0016","9.1555","0.0012","20.351","0.003","90","","96.342","0.002","90","","2318","0.5","140","5","140","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl isopropyl 2-(triphenylphosphoranyliden)malonate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C104 H108 O16 P4 -","4","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.1048","0.0565","","","0.1255","0.1396","","","","","","0.856","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016658","9.814","0.0007","15.889","0.002","15.404","0.002","90","","90.413","0.002","90","","2402","0.5","140","5","140","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl <i>tert</i>-butyl 2-(triphenylphosphoranyliden)malonate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C104 H108 O16 P4 -","4","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.0597","0.0516","","","0.1358","0.1444","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016659","8.9616","0.0007","10.3589","0.0008","14.5644","0.0011","97.388","0.002","107.705","0.003","105.338","0.002","1209.55","0.16","140","5","140","5","","","","","","","","4","P -1","-P 1","2","","ethyl <i>tert</i>-butyl 2-(triphenylphosphoranyliden)malonate","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C54 H58 O8 P2 -","2","1","AV3152","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2008","64","7","o405","o410","10.1107/S0108270108018246","","","0.71073","MoKα","","0.0672","0.0502","","","0.1251","0.1356","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016660","14.8903","0.0013","13.9907","0.0012","17.1961","0.0015","90","","90","","90","","3582.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(4,5-diazafluorene-9- one-κ^2^N,N')copper(II)","","- C42 H28 Cu N6 O8 S2 -","- C42 H28 Cu N6 O8 S2 -","- C168 H112 Cu4 N24 O32 S8 -","4","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0457","0.0332","","","0.0896","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016661","9.2553","0.0006","15.6133","0.0009","8.1857","0.0005","90","","106.305","0.001","90","","1135.31","0.12","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[Diaquacadmium(II)]-bis(μ-4-aminonaphthalene-1-sulfonato)- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>] dihydrate]","","- C20 H24 Cd N2 O10 S2 -","- C20 H24 Cd N2 O10 S2 -","- C40 H48 Cd2 N4 O20 S4 -","2","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0207","0.0196","","","0.0516","0.0523","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016662","7.277","0.002","7.601","0.002","9.728","0.002","81.062","0.016","70.538","0.015","61.636","0.015","446.4","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.0777","0.0504","","","0.0811","0.0889","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016663","7.279","0.002","7.601","0.001","9.735","0.002","81.092","0.016","70.565","0.015","61.668","0.014","447.08","0.18","250","1","250","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.1014","0.0583","","","0.0894","0.1011","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016664","7.288","0.007","7.611","0.008","9.754","0.009","81.28","0.08","70.72","0.07","61.68","0.07","449.6","0.8","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","sodium strontium pentaborate","","- B5 Na3 O10 Sr -","- B5 Na3 O10 Sr -","- B10 Na6 O20 Sr2 -","2","1","FA3144","Wu, Li; Roth, Georg; Sparta, Karine; Chen, Xiaolong","The new pentaborate Na~3~SrB~5~O~10~","Acta Crystallographica Section C","2008","64","7","i53","i56","10.1107/S0108270108016909","","","0.71073","MoKα","","0.1017","0.059","","","0.0911","0.1031","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016665","4.9292","0.0009","11.471","0.002","9.481","0.0017","90","","93.535","0.003","90","","535.06","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","vanadyl phosphate","dirubidium copper bis[vanadylV)] bis(phosphate)","","- Cu O12 P2 Rb2 V2 -","- Cu O12 P2 Rb2 V2 -","- Cu2 O24 P4 Rb4 V4 -","2","0.5","FA3147","Yakubovich, Olga V.; Steele, Ian M.; Dimitrova, Olga V.","A new type of mixed anionic framework in microporous rubidium copper vanadyl(V) phosphate, Rb~2~Cu(VO~2~)~2~(PO~4~)~2~","Acta Crystallographica Section C","2008","64","7","i62","i65","10.1107/S0108270108016454","","","0.71073","MoKα","","0.0203","0.0189","","","0.0475","0.0479","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016666","15.1641","0.0009","13.1653","0.0009","20.6761","0.0019","90","","102.753","0.001","90","","4025.9","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","poly[[(μ~2~-benzene-1,3-dicarboxylato){μ~2~-1,1'-[2,2'-oxybis(ethane-2,1- diyl)]di-1<i>H</i>-imidazole}cobalt(II)] monohydrate]","","- C18 H20 Co N4 O6 -","- C18 H20 Co N4 O6 -","- C144 H160 Co8 N32 O48 -","8","2","FA3149","Wei, Guo-Hua; Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Li, Shun-Li","A novel cobalt(II) coordination polymer with an unusual four-connected 4^2^.6^3^.8 topology","Acta Crystallographica Section C","2008","64","7","m267","m270","10.1107/S0108270108018921","","","0.71069","MoKα","","0.042","0.0347","","","0.0768","0.0806","","","","","","0.979","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016667","9.2498","0.0004","14.3","0.0009","16.0164","0.0011","95.19","0.005","96.805","0.004","107.336","0.004","1990.3","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2-(1H-imidazol-4-yl-κN^3^)ethylamine-κ^2^<i>N</i>]bis(tri- <i>tert</i>-butoxysilanethiolato-κS)cobalt(II)","","- C29 H63 Co N3 O6 S2 Si2 -","- C29 H63 Co N3 O6 S2 Si2 -","- C58 H126 Co2 N6 O12 S4 Si4 -","2","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0423","0.0341","","","0.0897","0.0928","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016668","9.2535","0.0003","14.3163","0.0005","15.9899","0.0006","95.086","0.003","96.805","0.003","107.337","0.003","1990.55","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2-(1H-imidazol-4-yl-κN^3^)ethylamine-κ^2^<i>N</i>]bis(tri- <i>tert</i>-butoxysilanethiolato-κS)zinc(II)","","- C29 H63 N3 O6 S2 Si2 Zn -","- C29 H63 N3 O6 S2 Si2 Zn -","- C58 H126 N6 O12 S4 Si4 Zn2 -","2","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0338","0.0306","","","0.0803","0.082","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016669","16.2546","0.0005","9.2094","0.0002","26.1831","0.0007","90","","91.874","0.002","90","","3917.39","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-(1H-imidazol-4-yl-κN^3^)methanol]bis(tri-<i>tert</i>- butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","","- C28 H60 N2 O7 S2 Si2 Zn -","- C28 H60 N2 O7 S2 Si2 Zn -","- C112 H240 N8 O28 S8 Si8 Zn4 -","4","1","GA3092","Dołega, Anna; Baranowska, Katarzyna; Pladzyk, Agnieszka; Majcher, Katarzyna","Two isomorphous Zn^II^/Co^II^ complexes with tri-<i>tert</i>-butoxysilanethiol and histamine, and (4-hydroxymethyl-1<i>H</i>-imidazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)zinc(II)","Acta Crystallographica Section C","2008","64","7","m259","m263","10.1107/S0108270108017265","","","0.71073","MoKα","","0.0502","0.0412","","","0.1064","0.1117","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016670","18.37","0.0011","10.005","0.0013","7.9145","0.0014","90","","113.575","0.002","90","","1333.2","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","","- C13 H14 N3 O4 P -","- C13 H14 N3 O4 P -","- C52 H56 N12 O16 P4 -","4","1","GD3204","Shylaja, S.; Mahendra, K. N.; Varma, K. B. R.; Narasimhamurthy, T.; Rathore, R. S.","Hydrogen-bonded sheets in 2-(2-aminophenyl)-1<i>H</i>-benzimidazol-3-ium dihydrogen phosphate","Acta Crystallographica Section C","2008","64","7","o361","o363","10.1107/S010827010801456X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0849","0.0903","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016671","5.8508","0.0002","13.0999","0.0004","15.4187","0.0005","90","","90","","90","","1181.76","0.07","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","","- C6 H12 N2 O6 S3 -","- C6 H12 N2 O6 S3 -","- C24 H48 N8 O24 S12 -","4","1","GD3216","Corrêa, Rodrigo S.; Martins, Felipe T.; Ellena, Javier; Santos, Marcelo H. dos; Doriguetto, Antonio C.","Hydrogen bonding in 2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","Acta Crystallographica Section C","2008","64","7","o395","o397","10.1107/S0108270108017502","","","0.71073","MoKα","","","0.0396","","","","0.106","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016672","6.6222","0.0002","9.4831","0.0002","20.5543","0.0007","91.3625","0.0009","98.9233","0.0012","94.5506","0.0014","1270.29","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[[heptaaqualanthanum(III)]-μ-1,3-dioxo-2-oxa-1H,3H-phenalene- 6,7-dicarboxylato-κ^2^O^6^:O^7^] hemi(4,8-dicarboxynaphthalene-1,5-dicarboxylate) dihydrate]","","- C21 H25 La O20 -","- C21 H25 La O20 -","- C42 H50 La2 O40 -","2","1","GD3220","Koner, Rajesh; Goldberg, Israel","The first coordination polymer of lanthanum(III) with a naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride derivative","Acta Crystallographica Section C","2008","64","7","m264","m266","10.1107/S0108270108017691","","","0.71073","MoKα","","0.029","0.0253","","","0.0558","0.0579","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016673","11.5945","0.0005","8.6412","0.0006","23.1522","0.0018","90","","92.325","0.007","90","","2317.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-Dimethylamino-2-(1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","GG3169","Galvez, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","(<i>E</i>)-3-Dimethylamino-2-(1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile: a chain of edge-fused rings built from a three-centre N—H···(N,O) hydrogen bond","Acta Crystallographica Section C","2008","64","7","o385","o387","10.1107/S0108270108016417","","","0.71073","MoKα","","0.1294","0.067","","","0.1688","0.2254","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016674","12.2439","0.0017","7.4543","0.0008","21.973","0.002","90","","94.282","0.01","90","","1999.9","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Hydroxypropyl)isoindoline-1,3-dione","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C88 H88 N8 O24 -","8","2","HJ3075","Wang, Honghao; Bache, Chris J.; Schwalbe, Carl H.","2-(3-Hydroxypropyl)isoindoline-1,3-dione: competition among hydrogen-bond acceptors","Acta Crystallographica Section C","2008","64","7","o402","o404","10.1107/S0108270108016363","","","0.71073","MoKα","","0.1414","0.0426","","","0.0975","0.124","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016675","12.842","0.007","15.153","0.009","7.572","0.004","90","","91.16","0.04","90","","1473.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2,3-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.069","0.043","","","0.1","0.114","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016676","11.597","0.009","7.45","0.003","16.324","0.013","90","","97.29","0.03","90","","1399","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(3,4-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.08","0.055","","","0.136","0.154","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016677","7.968","0.003","8.509","0.005","21.51","0.011","84.3","0.02","82.46","0.03","88.66","0.03","1438.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,6-dimethylphenyl)carbamoyl]benzenesulfonamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","2","HJ3076","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(2,3-Dimethylphenyl)carbamoyl]benzenesulfonamide and the 3,4- and 2,6-dimethylphenyl analogues","Acta Crystallographica Section C","2008","64","7","o367","o371","10.1107/S0108270108016314","","","0.71073","MoKα","","0.101","0.05","","","0.109","0.134","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016678","7.2904","0.0008","13.896","0.002","12.5021","0.0011","90","","96.476","0.007","90","","1258.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6-Dimethoxy-2-phthalimidopyrimidine","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","HJ3078","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","4,6-Dimethoxy-2-phthalimidopyrimidine: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","7","o392","o394","10.1107/S0108270108017356","","","0.71073","MoKα","","0.0644","0.0418","","","0.0886","0.1005","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016679","6.3588","0.0007","6.9307","0.0009","7.0681","0.001","110.282","0.003","90.823","0.003","106.585","0.002","277.8","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-(<i>p</i>-phenylene)bipyridazine","","- C14 H10 N4 -","- C14 H10 N4 -","- C14 H10 N4 -","1","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.062","0.0502","","","0.1293","0.1372","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016680","4.1377","0.0002","12.5407","0.0007","13.5301","0.0008","90","","93.786","0.004","90","","700.54","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[dibromidocopper(II)]-μ~2~-4,4'-(<i>p</i>-phenylene)bipyridazine- κ^2^N^2^:N^2'^]","","- C14 H10 Br2 Cu N4 -","- C14 H10 Br2 Cu N4 -","- C28 H20 Br4 Cu2 N8 -","2","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.0474","0.0311","","","0.0649","0.0695","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016681","7.6349","0.0008","8.0203","0.0008","13.9312","0.001","104.601","0.002","103.993","0.002","90.123","0.003","799.21","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)]- μ~2~-4,4'-(<i>p</i>-phenylene)bipyridazine-κ^2^N^1^:N^1'^] chloroform disolvate]","","- C24 H24 Cl6 Cu2 N4 O8 -","- C24 H24 Cl6 Cu2 N4 O8 -","- C24 H24 Cl6 Cu2 N4 O8 -","1","0.5","HJ3079","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine","Acta Crystallographica Section C","2008","64","7","m254","m258","10.1107/S0108270108017666","","","0.71073","MoKα","","0.0531","0.0402","","","0.0862","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016682","10.1122","0.0005","18.9068","0.0007","13.3503","0.0005","90","","112.241","0.002","90","","2362.53","0.17","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[bis[μ3-adamantane-1,3-bis(1,2,4-triazol-4-yl)-κ3N:N':N''] -bis(μ4-benzene-1,3,5-tricarboxylato-κ4O:O':O'':O''') -bis(μ3-hydroxido)tetracopper(II) dihydrate]","","- C46 H48 Cu4 N12 O16 -","- C46 H48 Cu4 N12 O16 -","- C92 H96 Cu8 N24 O32 -","2","0.5","JZ3138","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Sieler, Joachim; Domasevitch, Konstantin V.","A dihydroxidotetracopper(II) framework supported by 4,4'-(adamantane-1,3-diyl)bis(1,2,4-triazole) and benzene-1,3,5-tricarboxylate bridges","Acta Crystallographica Section C","2008","64","7","m246","m249","10.1107/S0108270108016545","","","0.71073","MoKα","","0.0355","0.0295","","","0.0787","0.0801","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016683","13.3292","0.0005","13.3292","0.0005","41.668","0.002","90","","90","","90","","7403.1","0.5","153","2","153","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","bis[tris(1,10-phenantroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C304 H192 Cl8 Fe4 N64 O32 Ru8 S16 -","4","0.5","LN3097","Ghazzali, Mohamed; Öhrström, Lars; Lincoln, Per; Langer, Vratislav","A three-dimensional net of Δ-tris(1,10-phenanthroline)ruthenium(II) in the dual-metal self-assembly of bis[tris(1,10-phenanthroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","Acta Crystallographica Section C","2008","64","7","m243","m245","10.1107/S0108270108015849","","","0.71073","MoKα","","0.0783","0.0609","","","0.1864","0.2001","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016684","10.2295","0.0002","8.0212","0.0001","32.1141","0.0005","90","","90","","90","","2635.05","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0621","0.0458","","","0.1276","0.1436","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016685","10.044","0.0011","7.899","0.0008","32.011","0.003","90","","90","","90","","2539.7","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0466","0.0384","","","0.0986","0.1026","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016686","10.0654","0.0005","7.9069","0.0004","31.9971","0.0017","90","","90","","90","","2546.5","0.2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0436","0.0377","","","0.0915","0.0937","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016687","10.0248","0.001","7.8879","0.0008","32.162","0.003","90","","90","","90","","2543.2","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0368","0.0323","","","0.0826","0.0851","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016688","14.8046","0.0012","12.0095","0.0012","18.972","0.0016","90","","109.499","0.008","90","","3179.7","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethyl 6-[1,2-bis(methoxycarbonyl)-2-(triphenyl-λ^5^- phosphanylidene)ethylideneamino]-2-methylsulfanyl-3,4-pyridinedicarboxylate","","- C34 H31 N2 O8 P S -","- C34 H31 N2 O8 P S -","- C136 H124 N8 O32 P4 S4 -","4","1","SK3237","Orozco, Fabián; Low, John N.; Cobo, Justo; Glidewell, Christopher","Dimethyl 6-[1,2-bis(methoxycarbonyl)-2-(triphenyl-λ^5^-phosphanylidene)ethylideneamino]-2-methylsulfanyl-3,4-pyridinedicarboxylate forms a chain of hydrogen-bonded rings","Acta Crystallographica Section C","2008","64","7","o379","o381","10.1107/S0108270108016429","","","0.71073","MoKα","","0.1043","0.0553","","","0.0884","0.1043","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016689","9.8184","0.0005","7.8683","0.0007","15.5719","0.0016","90","","100.309","0.007","90","","1183.57","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-chloro-6-[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C48 H52 Cl4 N16 -","4","1","SK3241","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","2-Amino-4-chloro-6-[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine: formation <i>versus</i> fragmentation of hydrogen-bonded chains of edge-fused <i>R</i>~2~^2^(8) rings in 4,6-disubstituted 2-aminopyrimidines","Acta Crystallographica Section C","2008","64","7","o376","o378","10.1107/S0108270108016405","","","0.71073","MoKα","","0.0813","0.0481","","","0.1073","0.1281","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016690","9.0213","0.0007","20.288","0.0018","10.3932","0.0006","90","","90.245","0.005","90","","1902.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-Ethyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-2-iminium 4-toluenesulfonate","","- C20 H20 N4 O4 S -","- C20 H20 N4 O4 S -","- C80 H80 N16 O16 S4 -","4","1","SK3244","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","10-Ethyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium 4-toluenesulfonate: a polarized electronic structure in the cation and a hydrogen-bonded sheet structure","Acta Crystallographica Section C","2008","64","7","o382","o384","10.1107/S0108270108016995","","","0.71073","MoKα","","0.0676","0.045","","","0.1081","0.1267","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016691","9.5665","0.0019","7.6553","0.0015","11.031","0.002","90","","90.77","0.03","90","","807.8","0.3","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-acetylindole","3-acetylindole","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","SK3245","Hachuła, Barbara; Pyzik, Aleksandra; Nowak, Maria; Kusz, Joachim","Low-temperature study of 3-acetylindole at 110K","Acta Crystallographica Section C","2008","64","7","o398","o401","10.1107/S0108270108017733","","","0.71073","MoKα","","0.0712","0.0477","","","0.1119","0.1168","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016692","6.9287","0.001","7.2735","0.0013","7.3503","0.0013","90","","90","","90","","370.42","0.11","293","2","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium iodine(V) oxyfluoride","","- F2 I Na O2 -","- F2 I Na O2 -","- F8 I4 Na4 O8 -","4","0.25","SQ3127","Laval, Jean-Paul; Jennene Boukharrata, Nefla","Sodium iodine(V) oxyfluoride, NaIO~2~F~2~","Acta Crystallographica Section C","2008","64","7","i47","i49","10.1107/S0108270108007087","","","0.71073","MoKα","","0.0105","0.0098","","","0.023","0.0233","","","","","","0.745","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016693","5.774","0.0005","22.062","0.005","5.5","0.0012","90","","90","","90","","700.6","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","scandium tellurium trioxide fluoride","","- F O3 Sc Te -","- F O3 Sc Te -","- F8 O24 Sc8 Te8 -","8","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0266","0.018","","","0.033","0.0351","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016694","7.9395","0.0011","5.3867","0.0008","8.0529","0.0012","90","","91.058","0.013","90","","344.35","0.09","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","indium tellurium trioxide fluoride","","- F In O3 Te -","- F In O3 Te -","- F4 In4 O12 Te4 -","4","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0356","0.029","","","0.0817","0.0855","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016695","5.3372","0.001","10.15","0.002","8.535","0.002","90","","90.34","0.03","90","","462.35","0.17","296","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium barium hexafluoridoaluminate","","- Al Ba F6 Li -","- Al Ba F6 Li -","- Al4 Ba4 F24 Li4 -","4","1","SQ3143","Merkulov, Alexander A.; Isaenko, Ludmila I.; Lobanov, Sergey I.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.","LiBaAlF~6~ and the crystal chemistry of Li<i>A</i>^II^<i>B</i>^III^F~6~ phases","Acta Crystallographica Section C","2008","64","7","i66","i68","10.1107/S0108270108017538","","","0.71073","MoKα","","0.0146","0.0141","","","0.035","0.0352","","","","","","1.174","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016696","21.1979","0.0008","21.1979","0.0008","21.1979","0.0008","90","","90","","90","","9525.3","0.6","295","2","295","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Icosa Cerium nonadeca Magnesium henoctaconta Zinc","Icosacerium nonadecamagnesium henoctacontazinc","","- Ce20 Mg19 Zn81 -","- Ce20 Mg19 Zn81 -","- Ce80 Mg76 Zn324 -","4","0.0416667","SQ3145","Pavlyuk, Volodymyr; Solokha, Pavlo; Zelinska, Oksana; Paul-Boncour, Valerie; Nowik-Zajac, Anna","Ce~20~Mg~19~Zn~81~: a new structure type with a giant cubic cell","Acta Crystallographica Section C","2008","64","7","i50","i52","10.1107/S0108270108015862","","","0.71073","MoKα","","0.0535","0.0437","","","0.0985","0.1007","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016697","21.447","0.004","11.226","0.002","28.221","0.006","90","","103.57","0.02","90","","6605","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1',3',3'-trimethyl-1',3'-dihydrospiropyran-6-carbaldehyde","1',3',3'-trimethylspiro[2'H-1-benzopyran-2,2'-indoline]-6-carbaldehyde","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C320 H304 N16 O32 -","16","2","SQ3147","Zouev, I.; Kaftory, M.","Conformational dimorphism of the spiropyran 1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]-6-carbaldehyde)","Acta Crystallographica Section C","2008","64","7","o372","o375","10.1107/S0108270108016430","","","0.71073","MoKα","","0.1353","0.0536","","","0.136","0.169","","","","","","0.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016698","11.699","0.002","11.692","0.002","24.406","0.005","90","","102.13","0.03","90","","3263.8","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","1',3',3'-trimethyl-1',3'-dihydrospiropyran-6-carbaldehyde","1',3',3'-trimethylspiro[2'H-1-benzopyran-2,2'-indoline]-6-carbaldehyde","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","SQ3147","Zouev, I.; Kaftory, M.","Conformational dimorphism of the spiropyran 1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]-6-carbaldehyde)","Acta Crystallographica Section C","2008","64","7","o372","o375","10.1107/S0108270108016430","","","0.71073","MoKα","","0.0671","0.036","","","0.0825","0.0912","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016699","12.4165","0.0003","17.7709","0.0005","7.9618","0.0002","90","","94.569","0.001","90","","1751.21","0.08","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","SU3024","Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim","<i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","Acta Crystallographica Section C","2008","64","7","o388","o391","10.1107/S0108270108016120","","","0.71073","MoKα","","0.0525","0.0369","","","0.0895","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016700","7.3476","0.0004","9.3218","0.0005","12.2905","0.0006","82.039","0.003","84.205","0.002","74.937","0.003","803.19","0.07","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-bromoethyl)-4-piperidino-1,8-naphthalimide","","- C19 H19 Br N2 O2 -","- C19 H19 Br N2 O2 -","- C38 H38 Br2 N4 O4 -","2","1","SU3024","Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim","<i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide","Acta Crystallographica Section C","2008","64","7","o388","o391","10.1107/S0108270108016120","","","0.71073","MoKα","","0.0268","0.0249","","","0.0665","0.0673","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016701","10.806","0.004","7.984","0.0013","11.0107","0.0008","90","","109.742","0.002","90","","894.1","0.4","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C28 H38 N6 O18 -","2","1","BM3053","Dedola, Simone; Nepogodiev, Sergey A.; Hughes, David L.; Field, Robert A.","2,3,4,6-Tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranosyl azide","Acta Crystallographica Section C","2008","64","8","o445","o446","10.1107/S0108270108020702","","","0.71073","MoKα","","0.062","0.0392","","","0.0819","0.087","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016702","10.1753","0.0003","30.8461","0.0007","10.3671","0.0002","90","","99.966","0.003","90","","3204.8","0.14","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","quinacrine 5-sulfosalicylate dihydrate","6-chloro-9-[(4-diethylammonio-2-methylbutyl)amino]-2-methoxyacridinium 3-carboxylato-4-hydroxybenzenesulfonate dihydrate","","- C30 H40 Cl N3 O9 S -","- C30 H40 Cl N3 O9 S -","- C120 H160 Cl4 N12 O36 S4 -","4","1","DN3093","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded framework structure in the 1:1 proton-transfer compound of the drug quinacrine with 5-sulfosalicylic acid","Acta Crystallographica Section C","2008","64","8","o428","o430","10.1107/S0108270108020313","","","0.71073","MoKα","","0.0778","0.0399","","","0.0909","0.1001","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016703","17.0144","0.0008","18.2738","0.0009","17.1713","0.0009","90","","90","","90","","5338.9","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cyclo-bis[μ~2~-bis(diphenylphosphino)amine]di-μ~3~-sulfanido-di-μ~2~- sulfanido-tetracopper(I) methanol disolvate","","- C50 H54 Cu4 N2 O2 P4 S4 -","- C50 H50 Cu4 N2 O2 P4 S4 -","- C200 H200 Cu16 N8 O8 P16 S16 -","4","0.5","EM3015","Zhao, Wen-Na; Han, Lei; Luo, Cheng-Cai","A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine","Acta Crystallographica Section C","2008","64","8","m280","m282","10.1107/S0108270108018404","","","0.71073","MoKα","","0.148","0.0864","","","0.1495","0.1742","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016704","10.3799","0.0002","11.7642","0.0002","14.5275","0.0003","90","","109.478","0.0008","90","","1672.44","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","","- C17 H20 O8 -","- C17 H20 O8 -","- C68 H80 O32 -","4","1","FA3145","Hathaway, Bruce A.; Kilgore, Uriah J.; Bond, Marcus R.","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","Acta Crystallographica Section C","2008","64","8","o456","o458","10.1107/S0108270108021392","","","0.71073","MoKα","","0.0662","0.0417","","","0.0979","0.1079","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016705","10.4985","0.0002","11.8828","0.0002","14.754","0.0003","90","","109.533","0.0009","90","","1734.66","0.06","300","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O8 -","- C17 H20 O8 -","- C68 H80 O32 -","4","1","FA3145","Hathaway, Bruce A.; Kilgore, Uriah J.; Bond, Marcus R.","1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate","Acta Crystallographica Section C","2008","64","8","o456","o458","10.1107/S0108270108021392","","","0.71073","MoKα","","0.0927","0.0472","","","0.1252","0.1437","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016706","15.1941","0.0014","5.5843","0.0005","12.962","0.0012","90","","91.693","0.005","90","","1099.33","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","1","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0454","0.0296","","","0.0712","0.0827","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016707","16.764","0.003","5.5177","0.0011","12.313","0.003","90","","104.73","0.03","90","","1101.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","1","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0568","0.0305","","","0.0779","0.0872","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016708","7.7551","0.0006","11.3903","0.0009","13.6023","0.0011","69.927","0.005","87.071","0.005","78.391","0.005","1105.25","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-nitro-2-(trichloromethyl)quinoline","","- C10 H5 Cl3 N2 O2 -","- C10 H5 Cl3 N2 O2 -","- C40 H20 Cl12 N8 O8 -","4","2","FA3148","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Nitrated isomers of 2-(trichloromethyl)quinoline","Acta Crystallographica Section C","2008","64","8","o441","o444","10.1107/S0108270108020374","","","0.71073","MoKα","","0.0272","0.0224","","","0.0581","0.0619","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016709","16.937","0.0004","6.8184","0.0016","16.577","0.0004","90","","97.667","0.004","90","","1897.3","0.5","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,<i>syn</i>-7-Bis(trimethylsilyl)-5-norbornene-<i>endo</i>-2,3-dicarboxylic acid","","- C15 H26 O4 Si2 -","- C15 H26 O4 Si2 -","- C60 H104 O16 Si8 -","4","1","FA3150","Begum, Noor Shahina; Vasundhara, D. E.; Girija, C. R.; Nagendrappa, Gopalpur","5,7-<i>syn</i>-Bis(trimethylsilyl)-5-norbornene-2,3-<i>endo</i>-dicarboxylic acid: a rare co-existence of dimeric and catemeric synthons","Acta Crystallographica Section C","2008","64","8","o423","o425","10.1107/S010827010801857X","","","0.71073","MoKα","","","0.0677","","","","0.1824","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016710","12.4951","0.0002","13.3839","0.0002","14.9579","0.0002","110.935","0.0008","103.176","0.0008","106.667","0.0008","2079.97","0.06","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-anthracene-9-carboxylato)- κ^4^<i>O</i>:<i>O</i>';κ^3^O,O':O';κ^3^O:O,O'- bis[(anthracene-9-carboxylato-κ^2^O,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)]","","- C114 H70 Er2 N4 O12 -","- C114 H70 Er2 N4 O12 -","- C114 H70 Er2 N4 O12 -","1","0.5","GD3217","Liu, Chun-Sen; Guo, Liang-Qi; Yan, Li-Fen; Wang, Jun-Jie","Tetrakis(μ-anthracene-9-carboxylato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(anthracene-9-carboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)]: effects of a noncoordinating anthracene ligand ring system on the final structure of a coordination complex","Acta Crystallographica Section C","2008","64","8","m292","m295","10.1107/S0108270108019975","","","0.71073","MoKα","","0.0245","0.0202","","","0.0477","0.0487","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016711","6.4845","0.0002","5.2362","0.0002","17.3497","0.0005","90","","90.152","0.002","90","","589.09","0.03","293","","293","","","","","","","","","6","I 1 2 1","I 2y","5","rock salt urea water","Rock salt‒urea‒water (1/1/1) (NaCl.CH~4~N~2~O.H~2~O)","","- C H6 Cl N2 Na O2 -","- C H6 Cl N2 Na O2 -","- C4 H24 Cl4 N8 Na4 O8 -","4","1","GD3223","Müller, S.; Schäfer, O.; Keller, E.","Rock salt‒urea‒water (1/1/1) at 293 and 117K","Acta Crystallographica Section C","2008","64","8","m300","m304","10.1107/S0108270108022427","","","0.71073","MoKα","","0.0315","0.0311","","","0.085","0.0852","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016712","6.4374","0.0002","5.1744","0.0002","17.2998","0.0005","90","","90","","90","","576.25","0.03","117","","117","","","","","","","","","6","P n 21 m","P -2 -2bc","31","rocksalt urea water","Rock salt‒urea‒water (1/1/1) (NaCl.CH~4~N~2~O.H~2~O)","","- C H6 Cl N2 Na O2 -","- C H6 Cl N2 Na O2 -","- C4 H24 Cl4 N8 Na4 O8 -","4","1","GD3223","Müller, S.; Schäfer, O.; Keller, E.","Rock salt‒urea‒water (1/1/1) at 293 and 117K","Acta Crystallographica Section C","2008","64","8","m300","m304","10.1107/S0108270108022427","","","0.71073","MoKα","","0.0477","0.0339","","","0.0819","0.0859","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016713","15.5892","0.0005","15.5892","0.0005","5.6424","0.0003","90","","90","","120","","1187.52","0.08","110","1","110","1","","","","","","","","3","P 3","P 3","143","tripivaloylmethane","4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","- C16 H28 O3 -","- C16 H28 O3 -","- C48 H84 O9 -","3","1","GD3228","Stilinović, Vladimir; Kaitner, Branko","Partial ordering of tripivaloylmethane at 110K","Acta Crystallographica Section C","2008","64","8","o450","o452","10.1107/S0108270108022129","","","0.71073","MoKα","","","0.0545","","","","0.1327","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016714","11.9764","0.0004","14.3836","0.0003","6.22447","0.00016","90","","90","","90","","1072.25","0.05","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Rubidium sodium (+)-(2R,3R)-tartrate tetrahydrate","","- C4 H12 Na O10 Rb -","- C4 H12 Na O10 Rb -","- C16 H48 Na4 O40 Rb4 -","4","1","GD3231","Lutz, Martin; Schreurs, Antoine M. M.","Was Bijvoet right? Sodium rubidium (+)-tartrate tetrahydrate revisited","Acta Crystallographica Section C","2008","64","8","m296","m299","10.1107/S0108270108022415","","","0.71073","MoKα","","0.0229","0.0188","","","0.0397","0.041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016715","7.7859","0.001","7.8937","0.001","16.13","0.002","81.979","0.007","77.608","0.008","80.234","0.008","948.7","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","cyclotridecanone 2',4'-dinitrophenylhydrazone","cyclotridecanone 2,4-dinitrophenylhydrazone","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C38 H56 N8 O8 -","2","1","GG3158","Valente, Edward J.; Pawar, Diwaker M.; Fronczek, Frank R.; Noe, Eric A.","Cyclotridecanone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2008","64","8","o447","o449","10.1107/S010827010802012X","","","0.71073","MoKα","","0.079","0.046","","","0.087","0.099","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016716","7.1097","0.0002","14.7372","0.0005","22.0732","0.0007","90","","90","","90","","2312.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)- 3-(4-amino-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)- 1-hydroxymethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C88 H104 N40 O32 -","8","2","GG3163","Pasternak, Anna; Kierzek, Ryszard; Gdaniec, Zofia; Gdaniec, Maria","A locked derivative of 8-aza-7-deazaadenosine","Acta Crystallographica Section C","2008","64","8","o467","o470","10.1107/S0108270108021628","","","0.71073","MoKα","","0.0499","0.0267","","","0.0476","0.0561","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016717","9.5326","0.0004","6.6602","0.0002","10.0167","0.0004","90","","114.166","0.0017","90","","580.22","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquadichloridocobalt(II)‒piperazine-2,5-dione (1/1)","","- C4 H14 Cl2 Co N2 O6 -","- C4 H14 Cl2 Co N2 O6 -","- C8 H28 Cl4 Co2 N4 O12 -","2","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0244","0.0205","","","0.0508","0.0531","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016718","9.4844","0.0004","6.6616","0.0003","9.9975","0.0004","90","","114.629","0.0018","90","","574.19","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquadichloridonickel(II)‒piperazine-2,5-dione (1/1)","","- C4 H14 Cl2 N2 Ni O6 -","- C4 H14 Cl2 N2 Ni O6 -","- C8 H28 Cl4 N4 Ni2 O12 -","2","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.021","0.0189","","","0.045","0.0461","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016719","15.224","0.003","3.9694","0.0008","15.444","0.004","90","","94.73","0.03","90","","930.1","0.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-poly[[[<i>trans</i>-diaquacopper(II)]-di-μ-chlorido] piperazine-2,5-dione solvate]","","- C4 H10 Cl2 Cu N2 O4 -","- C4 H10 Cl2 Cu N2 O4 -","- C16 H40 Cl8 Cu4 N8 O16 -","4","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0873","0.0583","","","0.1515","0.164","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016720","9.6276","0.0001","14.718","0.0002","5.2468","0.0004","90","","90","","90","","743.47","0.06","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","silver(I) nitrate‒piperazine-2.5-dione (1/1)","","- C8 H12 Ag2 N6 O10 -","- C8 H12 Ag2 N6 O10 -","- C16 H24 Ag4 N12 O20 -","2","0.25","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0189","0.017","","","0.0428","0.044","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016721","7.712","0.0007","7.919","0.0008","9.989","0.003","74.624","0.014","82.576","0.016","85.663","0.009","582.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","dimethyl 2-(dimethylamino)terephthalate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","GZ3150","Centore, Roberto; Fusco, Sandra; Peluso, Andrea; Carotenuto, Maurizio; Tuzi, Angela","Strong overcrowding in dimethyl 2-(dimethylamino)terephthalate","Acta Crystallographica Section C","2008","64","8","o420","o422","10.1107/S0108270108020003","","","0.71073","MoKα","","0.0626","0.0403","","","0.1002","0.1094","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016722","37.829","0.009","6.9457","0.0016","22.772","0.005","90","","125.607","0.004","90","","4864.6","1.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato- κ^5^O^3^,N^2^:N^1^,O^5^:O^5'^](μ~2~-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)copper(II)dierbium(III)] trihydrate]","","- C12 H20 Cu Er2 N4 O21 -","- C12 H20 Cu Er2 N4 O21 -","- C96 H160 Cu8 Er16 N32 O168 -","8","1","HJ3077","Wang, Yan; Shen, Ying-Zhong","A novel three-dimensional heterometallic coordination polymer: poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato-κ^5^<i>O</i>^3^,<i>N</i>^2^:<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^5'^](μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)copper(II)dierbium(III)] trihydrate]","Acta Crystallographica Section C","2008","64","8","m283","m285","10.1107/S0108270108017630","","","0.71073","MoKα","","0.0743","0.0463","","","0.0733","0.08","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016723","19.9633","0.0006","5.2733","0.0002","11.239","0.0004","90","","106.109","0.002","90","","1136.7","0.07","296","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","7-Deaza-2'-deoxyinosine","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3,7-dihydro-4<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidin-4-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","LN3105","Seela, Frank; Ming, Xin; Eickmeier, Henning; Reuter, Hans","7-Deaza-2'-deoxyinosine: a nucleoside showing ambiguous base-pairing properties against the four canonical DNA constituents","Acta Crystallographica Section C","2008","64","8","o417","o419","10.1107/S0108270108019835","","","0.71073","MoKα","","0.0329","0.0321","","","0.0919","0.094","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016724","7.7473","0.0016","12.35","0.003","17.211","0.004","87.487","0.005","82.227","0.005","80.247","0.005","1607.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3- triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4- yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine","","- C33 H33 N13 -","- C33 H33 N13 -","- C66 H66 N26 -","2","1","SF3079","Feng, Yue; Liu, Gang; Yue, Fan; Wang, Ji-De","<i>N</i>-[(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine","Acta Crystallographica Section C","2008","64","8","o426","o427","10.1107/S0108270108019033","","","0.71073","MoKα","","0.122","0.0505","","","0.129","0.1856","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016725","13.4267","0.0009","20.6647","0.0007","11.0684","0.0005","90","","119.02","0.004","90","","2685.5","0.3","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzyloxy-1H-benzotriazole-1-carboxamide","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C112 H96 N32 O16 -","8","2","SF3081","Dilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen","<i>N</i>-Benzyloxy-1<i>H</i>-benzotriazole-1-carboxamide: a hydrogen-bonded tetramer based upon a rare <i>R</i>~4~^4^(20) structural motif","Acta Crystallographica Section C","2008","64","8","o434","o436","10.1107/S0108270108018003","","","0.71073","MoKα","","0.0786","0.0434","","","0.1133","0.1376","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016726","7.6903","0.0004","12.8591","0.0007","10.8707","0.0006","90","","107.941","0.001","90","","1022.73","0.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[bis(methanol-κO)bis(thiocyanato-κN)iron(II)]- μ-pyridine-4-carbaldehyde azine-κ^2^N:N']","","- C16 H18 Fe N6 O2 S2 -","- C16 H18 Fe N6 O2 S2 -","- C32 H36 Fe2 N12 O4 S4 -","2","0.5","SK3226","Öhrström, Lars; Langer, Vratislav; Ghazzali, Mohamed","An interpenetrating primitive cubic net formed by hydrogen bonds and coordination bonds in <i>catena</i>-poly[[bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)iron(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2008","64","8","m277","m279","10.1107/S0108270108018039","","","0.71073","MoKα","","0.0558","0.0349","","","0.0767","0.0843","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016727","9.8858","0.0004","10.533","0.0004","30.3073","0.0013","90","","94.05","0.004","90","","3147.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thioacetanilide","N-phenylthioacetamide","","- C8 H9 N S -","- C8 H9 N S -","- C128 H144 N16 S16 -","16","4","SK3238","Michta, Anna; Chełmecka, Elżbieta; Nowak, Maria; Kusz, Joachim","Thioacetanilide at 120K","Acta Crystallographica Section C","2008","64","8","o411","o413","10.1107/S0108270108017940","","","0.71073","MoKα","","0.0504","0.0329","","","0.0907","0.0935","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016728","14.951","0.003","6.0452","0.0009","22.935","0.004","90","","101.201","0.017","90","","2033.4","0.6","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-benzoyl-2-methylpropionic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1268","0.0533","","","0.1082","0.1387","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016729","15.01","0.005","6.697","0.002","16.017","0.005","90","","99.21","0.03","90","","1589.3","0.9","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholinium <i>rac</i>-3-benzoyl-2-methylpropionate monohydrate","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","1","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1299","0.0549","","","0.1001","0.1275","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016730","25.759","0.006","10.172","0.002","9.776","0.002","90","","96.34","0.02","90","","2545.8","0.9","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","pyridinium [hydrogen bis(<i>rac</i>-3-benzoyl-2-methylpropionate)]","","- C27 H29 N O6 -","- C27 H29 N O6 -","- C108 H116 N4 O24 -","4","0.5","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.085","0.0628","","","0.192","0.2103","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016731","26.249","0.009","9.556","0.003","9.869","0.003","90","","95.32","0.03","90","","2464.8","1.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyrrolidinium <i>rac</i>-3-benzoyl-2-methylpropionate <i>rac</i>-3-benzoyl-2-methylpropionic acid","","- C26 H33 N O6 -","- C26 H33 N O6 -","- C104 H132 N4 O24 -","4","1","SK3242","Bakowicz, Julia; Turowska-Tyrk, Ilona","<i>rac</i>-3-Benzoyl-2-methylpropionic acid and its organic salts: possibilities of Yang photocyclization in crystals","Acta Crystallographica Section C","2008","64","8","o437","o440","10.1107/S0108270108021380","","","0.71073","MoKα","","0.1725","0.0626","","","0.145","0.1988","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016732","8.6357","0.0003","8.1068","0.0003","28.2057","0.0009","90","","96.673","0.002","90","","1961.24","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 9<i>H</i>-carbazole","","- C22 H28 B N O2 -","- C22 H28 B N O2 -","- C88 H112 B4 N4 O8 -","4","1","SK3248","Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","Acta Crystallographica Section C","2008","64","8","o453","o455","10.1107/S0108270108020593","","","0.71073","MoKα","","0.0726","0.0538","","","0.1317","0.143","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016733","15.321","0.0014","4.6518","0.0005","18.6647","0.0017","90","","94.239","0.005","90","","1326.6","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C64 H64 Br4 N4 -","4","2","SK3248","Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain","9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole","Acta Crystallographica Section C","2008","64","8","o453","o455","10.1107/S0108270108020593","","","0.71073","MoKα","","0.0396","0.0299","","","0.064","0.0669","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016734","7.8891","0.0017","7.9921","0.0018","8.5877","0.0018","68.135","0.017","74.049","0.017","63.135","0.018","444.55","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine","","- C7 H6 N6 O2 -","- C7 H6 N6 O2 -","- C14 H12 N12 O4 -","2","1","SK3250","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Two derivatives of 1,5-disubstituted tetrazoles: 1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine and {(<i>E</i>)-[1-(4-ethoxyphenyl)-1<i>H</i>-tetrazol-5-yl]iminomethyl}dimethylamine","Acta Crystallographica Section C","2008","64","8","o414","o416","10.1107/S0108270108019707","","","0.71073","MoKα","","0.0449","0.0417","","","0.1178","0.1213","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016735","8.415","0.0016","17.514","0.003","8.83","0.0014","90","","93.694","0.014","90","","1298.7","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{(E)-[1-(4-ethoxyphenyl)-1H-tetrazol-5-yl]iminomethyl}dimethylamine","","- C12 H16 N6 O -","- C12 H16 N6 O -","- C48 H64 N24 O4 -","4","1","SK3250","Lyakhov, Alexander S.; Vorobiov, Andrey N.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Two derivatives of 1,5-disubstituted tetrazoles: 1-(4-nitrophenyl)-1<i>H</i>-tetrazol-5-amine and {(<i>E</i>)-[1-(4-ethoxyphenyl)-1<i>H</i>-tetrazol-5-yl]iminomethyl}dimethylamine","Acta Crystallographica Section C","2008","64","8","o414","o416","10.1107/S0108270108019707","","","0.71073","MoKα","","0.0671","0.047","","","0.135","0.1541","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016736","7.781","0.002","4.665","0.001","9.516","0.002","90","","106.01","0.03","90","","332.02","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","<i>trans-β</i>-hydromuconic acid","<i>trans</i>-hex-3-enedioic acid","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","0.5","SK3251","Hachuła, Barbara; Jabłońska, Magdalena; Nowak, Maria; Kusz, Joachim","Redetermination of <i>trans</i>-β-hydromuconic acid","Acta Crystallographica Section C","2008","64","8","o459","o462","10.1107/S010827010802221X","","","0.71073","MoKα","","0.0485","0.0358","","","0.1036","0.1077","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016737","9.6409","0.0007","10.4629","0.0008","25.5588","0.0019","90","","90","","90","","2578.2","0.3","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4''-cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine- 5',2''-indane]-4-carboxamide methanol solvate","","- C25 H26 N4 O6 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","SK3252","Jagadish, Bhumasamudram; Carducci, Michael D.; Dawson, Alice; Nichol, Gary S.; Mash, Eugene A.","(<i>S</i>,<i>S</i>)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine-5',2''-indane]-4-carboxamide methanol solvate: interrupting the amide-to-amide hydrogen-bonded tape","Acta Crystallographica Section C","2008","64","8","o431","o433","10.1107/S010827010802057X","","","0.71073","MoKα","","0.0416","0.0292","","","0.0652","0.068","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016738","23.557","0.003","9.9789","0.0015","20.3594","0.0017","90","","90","","90","","4785.9","1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(<i>tert</i>-Butylamino)-4-chloro-6-ethylamino-1,3,5-triazine","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C144 H256 Cl16 N80 -","16","4","SK3255","Quesada, Antonio; Fontecha, Maria A.; López, Maria V.; Low, John N.; Glidewell, Christopher","2-<i>tert</i>-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine: a structure with <i>Z</i>' = 4 containing two different molecular conformations and two independent chains of hydrogen-bonded <i>R</i>~2~^2^(8) rings","Acta Crystallographica Section C","2008","64","8","o463","o466","10.1107/S0108270108021355","","","0.71073","MoKα","","0.0938","0.0579","","","0.135","0.1595","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016739","12.3661","0.0003","22.0755","0.0006","14.2238","0.0004","90","","95.997","0.002","90","","3861.67","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tris(μ-4-methylbenzoato)-κ^2^O:O;κ^4^O:O'-(4-methylbenzoato- κ^2^O,<i>O</i>')dizinc(II)]-μ-4,4'-bipyridine-κ-N:N']","","- C42 H36 N2 O8 Zn2 -","- C42 H36 N2 O8 Zn2 -","- C168 H144 N8 O32 Zn8 -","4","1","SQ3142","Ma, De-Yun; Deng, Guo-Hua","A novel one-dimensional zinc coordination polymer containing 4-methylbenzoate and 4,4-bipyridine","Acta Crystallographica Section C","2008","64","8","m271","m273","10.1107/S0108270108018441","","","0.71073","MoKα","","0.0902","0.0463","","","0.0961","0.1141","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016740","7.8022","0.0002","9.3335","0.0003","15.2091","0.0006","84.677","0.002","84.953","0.002","78.244","0.002","1076.93","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","[(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^- pentamethylcyclopentadienyl)nickel(II)","","- C27 H28 Ni2 -","- C27 H28 Ni2 -","- C54 H56 Ni4 -","2","1","SQ3150","Buchalski, Piotr; Koziol, Andrzej; Suwinska, Kinga","[(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^-pentamethylcyclopentadienyl)nickel(II)","Acta Crystallographica Section C","2008","64","8","m274","m276","10.1107/S0108270108019239","","","0.71073","MoKα","","0.0587","0.0376","","","0.0823","0.0878","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016741","9.2097","0.0018","7.5214","0.0015","6.9033","0.0014","112.48","0.03","93.71","0.03","106.95","0.03","414.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","hexabismuth iron tetraphosphate tetraoxide","","- Bi6.31 Fe0.69 O20 P4 -","- Bi6.31 Fe0.694 O20 P4 -","- Bi6.31 Fe0.694 O20 P4 -","1","0.5","SQ3151","Arumugam, Nachiappan; Lynch, Vincent; Steinfink, Hugo","A new bismuth iron oxyphosphate, Bi~6~(Bi~0.32~Fe~0.68~)(PO~4~)~4~O~4~","Acta Crystallographica Section C","2008","64","8","i71","i72","10.1107/S0108270108021045","","","0.71073","MoKα","","0.0364","0.0364","","","0.0968","0.0968","","","","","","1.114","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016742","12.006","0.006","5.2173","0.0007","7.292","0.001","90","","123.01","0.03","90","","383","0.2","300","","300","","","","3560000","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","Thallium Carbonate","Thallium carbonate","","- C O3 Tl2 -","- C O3 Tl2 -","- C4 O12 Tl8 -","4","0.5","SQ3152","Grzechnik, A.; Friese, K.","Tl~2~CO~3~ at 3.56 GPa","Acta Crystallographica Section C","2008","64","8","i69","i70","10.1107/S0108270108020398","","","0.71073","MoKα","","0.0881","0.0468","","","0.0514","0.0535","","","","","","2.18","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016743","4.32","0.004","4.32","0.004","9.341","0.009","90","","90","","90","","174.3","0.3","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranium copper diantimonide","uranium copper diantimonide","","- Cu0.634 Sb2 U -","- Cu0.634 Sb2 U -","- Cu1.268 Sb4 U2 -","2","0.125","SQ3154","Ringe, Emilie; Ibers, James A.","Partial Cu occupancy in uranium copper diantimonide, UCu~0.60(4)~Sb~2~","Acta Crystallographica Section C","2008","64","8","i76","i78","10.1107/S0108270108020386","","","0.71073","MoKα","","0.0241","0.0241","","","0.0582","0.0582","","","","","","1.2","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016744","4.331","0.004","4.331","0.004","9.355","0.009","90","","90","","90","","175.5","0.3","120","2","120","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranium copper diantimonide","uranium copper diantimonide","","- Cu0.6 Sb2 U -","- Cu0.6 Sb2 U -","- Cu1.2 Sb4 U2 -","2","0.125","SQ3154","Ringe, Emilie; Ibers, James A.","Partial Cu occupancy in uranium copper diantimonide, UCu~0.60(4)~Sb~2~","Acta Crystallographica Section C","2008","64","8","i76","i78","10.1107/S0108270108020386","","","0.71073","MoKα","","0.0273","0.0268","","","0.066","0.0663","","","","","","1.317","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016745","12.696","0.002","12.696","0.002","4.982","0.001","90","","90","","90","","803","0.2","295","2","295","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","dodecalithium nonadecacopper tricosaaluminide","","- Al22.84 Cu19.21 Li12 -","- Al22.84 Cu19.212 Li12 -","- Al22.84 Cu19.212 Li12 -","1","0.0625","SQ3156","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Pauly, Hermann; Ehrenberg, Helmut","Li~12~Cu~16+<i>x~</i>Al~26{-~<i>x</i>} (<i>x</i> = 3.2): a new intermetallic structure type","Acta Crystallographica Section C","2008","64","8","i73","i75","10.1107/S0108270108022476","","","0.71073","MoKα","","0.1311","0.049","","","0.0749","0.0977","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016746","7.943","0.0016","8.5368","0.0017","13.739","0.003","75.64","0.03","86.57","0.03","79.16","0.03","886.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine- κ^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)","","- C30 H24 Ag2 F6 N8 O6 S2 -","- C30 H24 Ag2 F6 N8 O6 S2 -","- C30 H24 Ag2 F6 N8 O6 S2 -","1","0.5","BG3080","Liu, Chun-Sen; Guo, Liang-Qi; Ma, Song-Tao; Hu, Min","Bis{μ-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine}disilver(I) bis(trifluoromethanesulfonate): effect of counter-anions on the self-assembly of coordination complexes","Acta Crystallographica Section C","2008","64","9","m308","m310","10.1107/S0108270108024189","","","0.71073","MoKα","","0.0431","0.0359","","","0.0875","0.0947","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016747","9.5644","0.0019","13.228","0.003","11.201","0.002","90","","93.39","0.03","90","","1414.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) peroxodisulfate dihydrate","","- C28 H30 N4 O10 S2 -","- C28 H30 N4 O10 S2 -","- C56 H60 N8 O20 S4 -","2","0.5","BM3054","Harvey, Miguel Angel; Baggio, Sergio; Garland, María Teresa; Baggio, Ricardo","An unusual two-dimensional hydrogen-bonding network in bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) peroxodisulfate dihydrate","Acta Crystallographica Section C","2008","64","9","o489","o492","10.1107/S0108270108024360","","","0.71073","MoKα","","0.0506","0.0441","","","0.119","0.126","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016748","7.6443","0.0006","8.0127","0.0006","24.512","0.002","90","","98.64","0.006","90","","1484.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(dimethylamino)phenyldiazenyl]-2-naphthol","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","DN3091","Schmidt, Martin U.; Brüning, Jürgen; Wirth, Daniela; Bolte, Michael","Two azo pigments based on β-naphthol","Acta Crystallographica Section C","2008","64","9","o474","o477","10.1107/S0108270108023421","","","0.71073","MoKα","","0.0936","0.0579","","","0.1221","0.1379","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016749","24.813","0.003","10.7144","0.001","13.8806","0.0019","90","","114.15","0.009","90","","3367.3","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[4-(diethylamino)phenyldiazenyl]-2-naphthol","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C160 H168 N24 O8 -","8","1","DN3091","Schmidt, Martin U.; Brüning, Jürgen; Wirth, Daniela; Bolte, Michael","Two azo pigments based on β-naphthol","Acta Crystallographica Section C","2008","64","9","o474","o477","10.1107/S0108270108023421","","","0.71073","MoKα","","0.0706","0.0449","","","0.1021","0.1127","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016750","24.259","0.004","11.469","0.002","7.1937","0.0012","90","","90","","90","","2001.5","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1-naphthylammonium iodide","","- C10 H10 I N -","- C10 H10 I N -","- C80 H80 I8 N8 -","8","1","DN3092","Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.","Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide","Acta Crystallographica Section C","2008","64","9","o481","o484","10.1107/S0108270108023561","","","0.71073","MoKα","","","0.0548","","","","0.1388","","","","","","1.326","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016751","7.2529","0.0013","9.1586","0.0017","10.897","0.002","68.082","0.003","75.764","0.003","68.867","0.003","621.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","naphthalene-1,8-diyldiammonium diiodide","","- C10 H12 I2 N2 -","- C10 H12 I2 N2 -","- C20 H24 I4 N4 -","2","1","DN3092","Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.","Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide","Acta Crystallographica Section C","2008","64","9","o481","o484","10.1107/S0108270108023561","","","0.71073","MoKα","","","0.0405","","","","0.1139","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016752","9.1174","0.0008","10.5925","0.0007","12.269","0.0013","91.964","0.007","98.312","0.008","91.333","0.006","1171.28","0.18","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-{3-[(2-Ammonioethyl)amino]propyl}ethane-1,2-diaminium tris(trifluoromethanesulfonate)","","- C10 H23 F9 N4 O9 S3 -","- C10 H23 F9 N4 O9 S3 -","- C20 H46 F18 N8 O18 S6 -","2","1","EM3016","Patroniak, Violetta; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>-{3-[(2-Ammonioethyl)amino]propyl}ethane-1,2-diaminium tris(trifluoromethanesulfonate): a salt of a folded triply protonated tetramine","Acta Crystallographica Section C","2008","64","9","o511","o513","10.1107/S0108270108023469","","","0.71073","MoKα","","0.0374","0.0293","","","0.0748","0.0798","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016753","15.015","0.0014","6.962","0.0006","24.5189","0.0016","90","","104.224","0.005","90","","2484.5","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipyrido[f,h]quinoxaline-6,7-dicarbonitrile","","- C16 H6 N6 -","- C16 H6 N6 -","- C128 H48 N48 -","8","2","FA3158","Kozlov, Leonid; Goldberg, Israel","Hydrogen-bonding <i>versus</i> π‒π stacking interactions in dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile and 6,7-dicyanodipyrido[<i>f</i>,<i>h</i>]quinoxalin-1-ium chloride dihydrate","Acta Crystallographica Section C","2008","64","9","o498","o501","10.1107/S0108270108025377","","","0.71073","MoKα","","0.137","0.0808","","","0.1441","0.1686","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016754","13.9417","0.0004","12.0846","0.0004","9.635","0.0003","90","","100.452","0.002","90","","1596.37","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7-dicyanodipyrido[f,h]quinoxalin-1-ium chloride dihydrate","","- C16 H11 Cl N6 O2 -","- C16 H11 Cl N6 O2 -","- C64 H44 Cl4 N24 O8 -","4","1","FA3158","Kozlov, Leonid; Goldberg, Israel","Hydrogen-bonding <i>versus</i> π‒π stacking interactions in dipyrido[<i>f</i>,<i>h</i>]quinoxaline-6,7-dicarbonitrile and 6,7-dicyanodipyrido[<i>f</i>,<i>h</i>]quinoxalin-1-ium chloride dihydrate","Acta Crystallographica Section C","2008","64","9","o498","o501","10.1107/S0108270108025377","","","0.71073","MoKα","","0.0772","0.0518","","","0.1043","0.1146","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016755","8.3187","0.0006","5.5868","0.0006","21.715","0.002","90","","98.517","0.006","90","","998.07","0.16","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","24p","2,4-Difluoro-<i>N</i>-(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.1273","0.0549","","","0.124","0.1571","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016756","6.2088","0.0004","11.0182","0.0005","14.8139","0.0009","90","","93.018","0.003","90","","1012.01","0.1","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-difluoro(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.0763","0.044","","","0.1042","0.1197","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016757","12.57","0.0006","5.1257","0.0002","16.5178","0.0008","90","","107.847","0.002","90","","1013.03","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-difluoro-<i>N</i>-(4-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","GD3225","McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.","A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide","Acta Crystallographica Section C","2008","64","9","o493","o497","10.1107/S0108270108022634","","","0.71073","MolybdenumKα","","0.0551","0.0413","","","0.0984","0.1069","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016758","6.0689","0.0002","13.2879","0.0004","24.7664","0.0008","90","","90","","90","","1997.24","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate","","- C22 H29 Cl O3 -","- C22 H29 Cl O3 -","- C88 H116 Cl4 O12 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0804","0.0442","","","0.09","0.1049","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016759","6.0271","0.0002","15.4064","0.0006","20.6081","0.0009","90","","90","","90","","1913.58","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-androsta-5,16-dien-3β-yl acetate","","- C21 H29 Cl O2 -","- C21 H29 Cl O2 -","- C84 H116 Cl4 O8 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0949","0.0626","","","0.1498","0.1648","","","","","","1.257","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016760","10.5798","0.0008","5.3448","0.001","12.873","0.003","90","","90.204","0.012","90","","727.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2SR,4RS)-7-Chloro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.1158","0.0504","","","0.096","0.1204","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016761","5.2855","0.001","15.649","0.002","17.88","0.003","90","","90","","90","","1478.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2RS,4RS)-7-Chloro-2-<i>endo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0814","0.0469","","","0.0739","0.0838","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016762","5.4172","0.0002","8.0164","0.0006","16.231","0.0011","90","","96.745","0.004","90","","699.98","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,4<i>R</i>)-7-fluoro-2-endo-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0448","0.035","","","0.0776","0.0833","","","","","","1.166","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016763","5.5314","0.001","15.43","0.004","26.229","0.006","90","","92.96","0.017","90","","2235.6","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2SR,4RS)-7-Fluoro-2-<i>exo</i>-(2-furyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy- 1-benzazepine","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C112 H96 F8 N8 O16 -","8","2","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.1518","0.0637","","","0.1317","0.1671","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016764","8.1835","0.0006","10.9447","0.0008","14.694","0.0012","90","","104.969","0.006","90","","1271.42","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2SR,4RS)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-fluoro- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C14 H11 Br F N O S -","- C14 H11 Br F N O S -","- C56 H44 Br4 F4 N4 O4 S4 -","4","1","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.0782","0.039","","","0.0748","0.0886","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016765","5.6913","0.0006","10.1187","0.0006","13.2996","0.0013","90","","100.497","0.008","90","","753.09","0.12","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-trifluoromethoxy- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C15 H11 Br F3 N O2 S -","- C15 H11 Br F3 N O2 S -","- C30 H22 Br2 F6 N2 O4 S2 -","2","1","GG3181","Blanco, Maria C.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three tetrahydro-1,4-epoxy-1-benzazepines carrying pendent heterocyclic substituents: supramolecular structures in zero, one or two dimensions","Acta Crystallographica Section C","2008","64","9","o524","o528","10.1107/S0108270108026176","","","0.71073","MoKα","","0.0556","0.0342","","","0.0656","0.0712","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016766","6.5779","0.0018","7.3593","0.001","8.425","0.002","97.277","0.012","95.631","0.015","111.037","0.012","373.03","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Hexamethylenediammonium bis(chloroacetate)","","- C10 H22 Cl2 N2 O4 -","- C10 H22 Cl2 N2 O4 -","- C10 H22 Cl2 N2 O4 -","1","0.5","HJ3084","Ortíz, Alejandro; Insuasty, Braulio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hexamethylenediammonium bis(chloroacetate): a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2008","64","9","o505","o507","10.1107/S0108270108025341","","","0.71073","MoKα","","0.065","0.0388","","","0.0848","0.0973","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016767","9.382","0.002","5.7095","0.0014","11.132","0.003","90","","115.109","0.004","90","","540","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Calcium pentaoxidoditellurate(IV)","","- Ca O5 Te2 -","- Ca O5 Te2 -","- Ca4 O20 Te8 -","4","1","IZ3054","Weil, Matthias; Stöger, Berthold","A non-twinned polymorph of CaTe~2~O~5~ from a hydrothermally grown crystal","Acta Crystallographica Section C","2008","64","9","i79","i81","10.1107/S0108270108024827","","","0.71073","MoKα","","0.0445","0.0355","","","0.0753","0.0787","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016768","8.5763","0.0005","13.4913","0.0008","14.1944","0.0008","90","","103.37","0.001","90","","1597.86","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[[μ~3~-N'-(4-cyanobenzylidene)isonicotinohydrazide]silver(I)] perchlorate]","","- C14 H10 Ag Cl N4 O5 -","- C14 H10 Ag Cl N4 O5 -","- C56 H40 Ag4 Cl4 N16 O20 -","4","1","LN3107","Niu, Cao-Yuan; Zheng, Xian-Fu; Bai, Ling-Ling; Wu, Xiao-Ling; Kou, Chun-Hong","A grid-like two-dimensional Ag^I^ coordination polymer: poly[[[μ~3~-<i>N</i>'-(4-cyanobenzylidene)isonicotinohydrazide]silver(I)] perchlorate]","Acta Crystallographica Section C","2008","64","9","m305","m307","10.1107/S0108270108023585","","","0.71073","MoKα","","0.0296","0.0255","","","0.0658","0.0688","","","","","","1.004","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016769","8.5272","0.0002","14.4503","0.0004","18.1776","0.0005","90","","101.777","0.002","90","","2192.7","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(1,10-phenanthroline-5,6-diol- κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C24 H16 Cl2 Mn N4 O4 -","- C24 H16 Cl2 Mn N4 O4 -","- C96 H64 Cl8 Mn4 N16 O16 -","4","0.5","LN3111","Guan, Xiao-Hong; Wu, Jian-Zhong; Yu, Ying; Yang, Ping","<i>cis</i>-Dichloridobis(1,10-phenanthroline-5,6-diol-κ^2^<i>N</i>,<i>N</i>')manganese(II): a supramolecular chain formed <i>via</i> O—H···Cl bonds and aromatic stacking","Acta Crystallographica Section C","2008","64","9","m311","m313","10.1107/S0108270108026000","","","0.71073","MoKα","","0.0339","0.0305","","","0.0797","0.0819","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016770","11.9348","0.0011","21.617","0.002","5.3024","0.0006","90","","90","","90","","1368","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2SR,4RS)-7-chloro-2-<i>exo</i>-(4-chlorophenyl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0917","0.0453","","","0.085","0.1042","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016771","7.4328","0.0011","12.3746","0.0016","14.9187","0.0019","90","","90","","90","","1372.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>-(2-chlorophenyl)- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.1875","0.0607","","","0.1112","0.1534","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016772","9.6174","0.0018","11.558","0.003","13.465","0.004","90","","90","","90","","1496.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>- (1-naphthyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0993","0.0541","","","0.0975","0.1136","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016773","11.124","0.002","15.709","0.003","11.337","0.002","90","","106.48","0.03","90","","1899.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[copper(I)-di-μ~2~-pyrazine-κ^4^N:N'] 3,5-dicarboxybenzenesulfonate monohydrate]","","- C16 H15 Cu N4 O8 S -","- C16 H15 Cu N4 O8 S -","- C64 H60 Cu4 N16 O32 S4 -","4","1","SF3085","Guo, Hong-Xu; Weng, Wen; Li, Xi-Zhong; Liang, Min; Zheng, Cai-Qing","A novel three-dimensional coordination polymer constructed from pyrazine and copper(I): poly[[copper(I)-di-μ~2~-pyrazine-κ^4^<i>N</i>:<i>N</i>'] 3,5-dicarboxybenzenesulfonate monohydrate]","Acta Crystallographica Section C","2008","64","9","m314","m316","10.1107/S0108270108025900","","","0.71073","MoKα","","0.083","0.0488","","","0.0982","0.1113","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016774","6.7684","0.0005","6.9561","0.0004","18.0001","0.0014","86.525","0.006","87.481","0.006","86.19","0.006","843.37","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","2-carboxyanilinium hydrogen 4,5-dichlorophthalate dihydrate","2-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate dihydrate","","- C15 H15 Cl2 N O8 -","- C15 H15 Cl2 N O8 -","- C30 H30 Cl4 N2 O16 -","2","1","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","1.5418","CuKα","","0.0541","0.0499","","","0.1526","0.1568","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016775","12.9028","0.0007","7.4091","0.0004","32.2323","0.0017","90","","96.012","0.001","90","","3064.4","0.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-carboxyanilinium hydrogen 4,5-dichlorophthalate","3-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H11 Cl2 N O6 -","- C15 H11 Cl2 N O6 -","- C120 H88 Cl16 N8 O48 -","8","2","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","0.71073","MoKα","","0.0463","0.0399","","","0.1005","0.1044","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016776","12.8552","0.0012","7.5003","0.0007","31.932","0.003","90","","94.785","0.002","90","","3068.1","0.5","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-carboxyanilinium hydrogen 4,5-dichlorophthalate","4-carboxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H11 Cl2 N O6 -","- C15 H11 Cl2 N O6 -","- C120 H88 Cl16 N8 O48 -","8","1","SF3087","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Two- and three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the isomeric monoaminobenzoic acids","Acta Crystallographica Section C","2008","64","9","o532","o536","10.1107/S0108270108027054","","","0.71073","MoKα","","0.0518","0.0421","","","0.0834","0.0857","","","","","","1.498","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016777","8.213","0.002","8.727","0.002","9.042","0.003","90.5","0.02","95.32","0.03","113.86","0.03","589.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C28 H28 Cl2 N2 -","2","1","SK3246","Novaković, Sladjana B.; Vitorović-Todorović, Maja D.; Bogdanović, Goran A.; Drakulić, Branko J.","Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline","Acta Crystallographica Section C","2008","64","9","o502","o504","10.1107/S0108270108022221","","","0.71073","MoKα","","0.0422","0.0368","","","0.1043","0.1067","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016778","6.351","0.0012","42.306","0.006","7.1764","0.0006","90","","115.651","0.013","90","","1738.2","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5α-Androst-3-en-17-one oxime","","- C19 H29 N O -","- C19 H29 N O -","- C76 H116 N4 O4 -","4","2","SK3256","Andrade, L. C. R.; Almeida, M. J. M. de; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","5α-Androst-3-en-17-one oxime","Acta Crystallographica Section C","2008","64","9","o508","o510","10.1107/S0108270108023299","","","1.5418","CuKα","","0.0581","0.0416","","","0.1224","0.1332","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016779","4.9517","0.0002","12.8674","0.0005","15.2828","0.0006","90","","92.806","0.003","90","","972.58","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)di-1<i>H</i>-imidazolium bis(tetrafluoroborate)","","- C16 H20 B2 F8 N4 -","- C16 H20 B2 F8 N4 -","- C32 H40 B4 F16 N8 -","2","0.5","SK3257","Ganesan, Kilivelu; Alias, Yatimah; Ng, Seik Weng","Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2008","64","9","o478","o480","10.1107/S0108270108023111","","","0.71073","MoKα","","0.097","0.0496","","","0.1015","0.1203","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016780","10.3833","0.0001","12.047","0.0002","13.6933","0.0002","100.752","0.001","105.194","0.001","111.97","0.001","1453.37","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)di-1<i>H</i>-imidazolium bis(trifluoromethanesulfonate)","","- C24 H32 F6 N4 O6 S2 -","- C24 H32 F6 N4 O6 S2 -","- C48 H64 F12 N8 O12 S4 -","2","1","SK3257","Ganesan, Kilivelu; Alias, Yatimah; Ng, Seik Weng","Imidazolium-based ionic liquid salts: 3,3'-dimethyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(tetrafluoroborate) and 3,3'-di-<i>n</i>-butyl-1,1'-(1,4-phenylenedimethylene)diimidazolium bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2008","64","9","o478","o480","10.1107/S0108270108023111","","","0.71073","MoKα","","0.0419","0.0354","","","0.0968","0.1012","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016781","6.8665","0.0006","9.4084","0.0014","11.147","0.002","91.611","0.014","107.728","0.014","111.097","0.012","632.22","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-<i>tert</i>-Butyl-5-methyl-7,8-dihydro-6<i>H</i>- cyclopenta[<i>e</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","","- C14 H19 N3 -","- C14 H19 N3 -","- C28 H38 N6 -","2","1","SK3259","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-<i>tert</i>-Butyl-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>e</i>]pyrazolo[1,5-<i>a</i>]pyrimidine: molecular stacks built from C—H···π(pyrazole) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2008","64","9","o471","o473","10.1107/S010827010802266X","","","0.71073","MoKα","","0.1136","0.0623","","","0.1499","0.1799","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016782","9.99","0.001","9.99","0.001","7.395","0.001","90","","90","","120","","639.15","0.13","294","2","294","2","","","","","","","","4","P 63/m","-P 6c","176","Strontium fluorarsenate","strontium arsenate fluoride","","- As3 F O12 Sr5 -","- As3 F O12 Sr5 -","- As6 F2 O24 Sr10 -","2","0.166667","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71073","MoKα","","0.0177","0.0165","","","0.0366","0.0371","","","","","","1.224","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:47",""
"2016783","10.39","0.001","10.39","0.001","7.575","0.002","90","","90","","120","","708.2","0.2","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","Barium strontium chlorarsenate","strontium barium arsenate chloride","","- As3 Ba2.95 Cl O12 Sr2.05 -","- As3 Ba2.951 Cl O12 Sr2.047 -","- As6 Ba5.902 Cl2 O24 Sr4.094 -","2","0.166667","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71069","MoKα","","0.0228","0.02","","","0.0482","0.0493","","","","","","1.111","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:48",""
"2016784","9.971","0.001","9.971","0.001","6.514","0.001","90","","90","","120","","560.86","0.12","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","Cadmium Chlorarsenate","cadmium arsenate hydroxide chloride","","- As6 Cd10 Cl1.16 H0.84 O24.84 -","- As6 Cd10 Cl1.16 H0.84 O24.84 -","- As6 Cd10 Cl1.16 H0.84 O24.84 -","1","0.0833333","SQ3149","Dordević, Tamara; Šutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica Section C","2008","64","9","i82","i86","10.1107/S0108270108023457","","","0.71073","MoKα","","0.0179","0.0176","","","0.0369","0.037","","","","","","1.298","","","","has coordinates,has Fobs","282534","2023-04-10","15:44:48",""
"2016785","18.497","0.003","6.1203","0.0008","17.188","0.002","90","","112.051","0.002","90","","1803.5","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid 3,3-dioxide","","- C8 H10 O6 S -","- C8 H10 O6 S -","- C64 H80 O48 S8 -","8","2","SQ3155","Pett, Virginia B.; Haynes, LeRoy W.","Conformation and hydrogen bonding for the bicyclic compound 3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid 3,3-dioxide","Acta Crystallographica Section C","2008","64","9","o485","o488","10.1107/S0108270108022439","","","0.71073","MoKα","","0.0822","0.0525","","","0.1165","0.1282","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016786","10.6328","0.0003","11.1114","0.0003","12.8839","0.001","75.251","0.005","65.652","0.002","81.539","0.002","1339.56","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","salicylaldehyde 4-phenylthiosemicarbazone","salicylaldehyde 4-phenylthiosemicarbazone","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","2","AV3157","Rubčić, Mirta; Dilović, Ivica; Cindrić, Marina; Matković-Čalogović, Dubravka","Two thiosemicarbazones derived from salicylaldehyde: very specific hydrogen-bonding interactions of the N—H···S=C type","Acta Crystallographica Section C","2008","64","10","o570","o573","10.1107/S0108270108029016","","","0.71073","MoKα","","0.0352","0.0307","","","0.0761","0.0786","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016787","4.73851","0.00017","11.3244","0.0004","14.0775","0.0005","78.39","0.003","89.547","0.003","89.364","0.003","739.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-methoxysalicylaldehyde 4-phenylthiosemicarbazone","4-methoxysalicylaldehyde 4-phenylthiosemicarbazone","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C30 H30 N6 O4 S2 -","2","1","AV3157","Rubčić, Mirta; Dilović, Ivica; Cindrić, Marina; Matković-Čalogović, Dubravka","Two thiosemicarbazones derived from salicylaldehyde: very specific hydrogen-bonding interactions of the N—H···S=C type","Acta Crystallographica Section C","2008","64","10","o570","o573","10.1107/S0108270108029016","","","0.71073","MoKα","","0.0368","0.0301","","","0.0839","0.0868","","","","","","1.082","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016788","10.572","0.003","17.755","0.005","7.39","0.002","90","","105.374","0.005","90","","1337.5","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-Piperazine-<i>N</i>,<i>N</i>'-tetraaquabis[(μ~2~-2-nitroterephthalato-<i>O</i>:<i>O</i>',<i>O</i>'')dicadmium(II)] dihydrate]","","- C20 H28 Cd2 N4 O18 -","- C20 H28 Cd2 N4 O18 -","- C40 H56 Cd4 N8 O36 -","2","0.5","AV3159","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[tetraaquabis(μ~2~-2-nitroterephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-piperazine-κ^3^<i>N</i>:<i>N</i>')dicadmium(II)] dihydrate]","Acta Crystallographica Section C","2008","64","10","m342","m344","10.1107/S010827010802903X","","","0.71073","MoKα","","0.0549","0.0477","","","0.1255","0.1294","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016789","4.6042","0.0001","14.157","0.0003","15.6614","0.0004","90","","89.327","0.001","90","","1020.77","0.04","295","2","295","2","101.3","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium dihydrochloride","Hexane-1,6-diammonium dichloride","","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","- C24 H72 Cl8 N8 -","4","1","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.032","0.0261","","","0.072","0.0754","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016790","4.7044","0.0001","14.4462","0.0003","16.2582","0.0004","90","","90.115","0.001","90","","1104.92","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium dihydrobromide","Hexane-1,6-diammonium dibromide","","- C6 H18 Br2 N2 -","- C6 H18 Br2 N2 -","- C24 H72 Br8 N8 -","4","1","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.033","0.0253","","","0.057","0.0599","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016791","4.8884","0.0001","12.8756","0.0004","9.7488","0.0003","90","","90.423","0.002","90","","613.58","0.03","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenediammonium bishydroiodide","Hexane-1,6-diammonium diiodide","","- C6 H18 I2 N2 -","- C6 H18 I2 N2 -","- C12 H36 I4 N4 -","2","0.5","BM3056","Blerk, Charmaine van; Kruger, Gert J.","Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine","Acta Crystallographica Section C","2008","64","10","o537","o542","10.1107/S0108270108022919","","","0.71073","MoKα","","0.0257","0.0237","","","0.058","0.0595","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016792","8.0288","0.001","12.7685","0.0015","15.873","0.002","90","","92.848","0.006","90","","1625.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-oxido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)] toluene solvate","","- C35 H46 Nb2 O Se2 -","- C35 H46 Nb2 O Se2 -","- C70 H92 Nb4 O2 Se4 -","2","0.5","BM3060","Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands","Acta Crystallographica Section C","2008","64","10","m321","m323","10.1107/S0108270108025055","","","0.71073","MoKα","","0.0305","0.0237","","","0.0478","0.0511","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016793","31.583","0.008","7.9548","0.0015","26.52","0.007","90","","121.29","0.02","90","","5694","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-selenido-bis[(tert-butylselenolato)bis(η^5^-cyclopentadienyl)niobium(IV)]","","- C28 H38 Nb2 Se3 -","- C28 H38 Nb2 Se3 -","- C224 H304 Nb16 Se24 -","8","1","BM3060","Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","[{Cp~2~(^<i>t^</i>BuSe)Nb}~2~<i>E</i>] (<i>E</i> = O and Se) with bridging oxide or selenide ligands","Acta Crystallographica Section C","2008","64","10","m321","m323","10.1107/S0108270108025055","","","0.71073","MoKα","","0.0744","0.0413","","","0.0668","0.0746","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016794","15.666","0.003","6.6959","0.0009","18.726","0.003","90","","100.48","0.004","90","","1931.6","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cytosinium succinate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypropanoate","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C64 H88 N24 O40 -","8","1","DN3096","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate","Acta Crystallographica Section C","2008","64","10","o566","o569","10.1107/S010827010802979X","","","0.71073","MoKα","","0.0378","0.0367","","","0.1068","0.108","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016795","6.7154","0.0014","7.4036","0.0016","19.228","0.004","85.525","0.004","87.576","0.004","67.279","0.003","879","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","cytosinium 4-nitrobenzoate cytosine monohydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 4-nitrobenzoate 4-aminopyrimidin-2(1H)-one solvate monohydrate","","- C15 H17 N7 O7 -","- C15 H17 N7 O7 -","- C30 H34 N14 O14 -","2","1","DN3096","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate","Acta Crystallographica Section C","2008","64","10","o566","o569","10.1107/S010827010802979X","","","0.71073","MoKα","","0.0804","0.0698","","","0.1943","0.2086","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016796","9.507","0.003","9.122","0.003","9.79","0.003","90","","117.469","0.004","90","","753.3","0.4","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","azetidine","azetidine","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","2","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.089","0.0557","","","0.1417","0.1624","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016797","8.6753","0.0008","5.2078","0.0005","10.7108","0.001","90","","110.451","0.003","90","","453.41","0.07","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","pyrrolidine","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.0498","0.0416","","","0.1051","0.11","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016798","11.0201","0.0014","10.3027","0.0013","12.7322","0.0015","90","","114.11","0.005","90","","1319.5","0.3","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","homopiperidine","hexamethyleneimine","","- C6 H13 N -","- C6 H13 N -","- C48 H104 N8 -","8","2","FA3160","Bond, Andrew D.; Davies, John E.; Parsons, Simon","Azetidine, pyrrolidine and hexamethyleneimine at 170K","Acta Crystallographica Section C","2008","64","10","o543","o546","10.1107/S0108270108026012","","","0.71073","MoKα","","0.104","0.0826","","","0.2508","0.2692","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016799","11.6394","0.0015","11.5736","0.0015","30.782","0.004","90","","90","","90","","4146.6","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","FA3167","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione: molecular conformation and supramolecular aggregation in xanthenediones","Acta Crystallographica Section C","2008","64","10","o554","o557","10.1107/S0108270108029181","","","0.71073","MoKα","","0.1215","0.0531","","","0.1185","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016800","8.122","0.002","8.412","0.003","9.24","0.003","91.973","0.008","93.386","0.009","92.464","0.008","629.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-chlorido)-bis{2-[1-(2-pyridylethylimino)ethyl]pyrrolato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dicopper(II)","","- C26 H28 Cl2 Cu2 N6 -","- C26 H28 Cl2 Cu2 N6 -","- C26 H28 Cl2 Cu2 N6 -","1","0.5","GD3235","Li, Rongqing; Zhao, Pusu; Tang, Guodong; Tang, Xiaoling","Di-μ-chlorido-bis({2-[1-(2-pyridylethylimino)ethyl]pyrrolato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II))","Acta Crystallographica Section C","2008","64","10","m339","m341","10.1107/S0108270108028783","","","0.7107","MoKα","","0.0517","0.0401","","","0.0792","0.0847","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016801","13.9947","0.0004","13.9947","0.0004","8.4249","0.0003","90","","90","","120","","1428.97","0.08","298","2","298","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]","","- C9 H6 N12 S4 Zn4 -","- C9 H6 N12 S4 Zn4 -","- C27 H18 N36 S12 Zn12 -","3","0.166667","GD3237","Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A.","Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer","Acta Crystallographica Section C","2008","64","10","m327","m329","10.1107/S0108270108027327","","","0.71073","MoKα","","0.0143","0.0142","","","0.0343","0.0343","","","","","","1.129","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016802","10.069","0.003","10.48","0.002","10.749","0.004","88.59","0.03","63.2","0.03","73.59","0.05","964.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8- tetraazacyclopenteno[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>- 1,3,7,8-tetraazacyclopenteno[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato- κ^4^O^1^,O^1'^:O^4^,O^4'^]","","- C42 H26 Cd2 Cl2 N8 O4 -","- C42 H26 Cd2 Cl2 N8 O4 -","- C42 H26 Cd2 Cl2 N8 O4 -","1","0.5","GD3238","Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-di-μ-chlorido-[(2-phenyl-1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)cadmium(II)]-μ-fumarato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]: a coordination polymer with a two-dimensional supramolecular architecture","Acta Crystallographica Section C","2008","64","10","m333","m335","10.1107/S0108270108026760","","","0.71073","MoKα","","0.0378","0.0288","","","0.0586","0.0615","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016803","5.2011","0.0002","23.5553","0.0011","12.2402","0.0006","90","","101.719","0.001","90","","1468.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cu2 N2 O5 -","- C16 H9 Cu2 N2 O5 -","- C64 H36 Cu8 N8 O20 -","4","1","GD3240","Wang, Xiu-Yan; Wang, Jia-Jun","A mixed-valence copper coordination polymer generated by a hydrothermal metal/ligand redox reaction process","Acta Crystallographica Section C","2008","64","10","m330","m332","10.1107/S0108270108029314","","","0.71073","MoKα","","0.0339","0.028","","","0.0681","0.0708","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016804","5.053","0.0004","9.4145","0.0009","9.5169","0.0009","75.239","0.008","89.253","0.009","75.757","0.01","423.74","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","3-acetylanilinium bromide","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C16 H20 Br2 N2 O2 -","2","1","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0208","0.0182","","","0.0466","0.0487","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016805","16.7754","0.0004","6.6044","0.0002","8.2683","0.0002","90","","90","","90","","916.06","0.04","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-acetylanilinium nitrate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","0.5","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0528","0.0421","","","0.1146","0.1288","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016806","4.6733","0.0002","10.5962","0.0004","21.1801","0.0009","90","","93.631","0.003","90","","1046.72","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-acetylanilinium dihydrogen phosphate","","- C8 H12 N O5 P -","- C8 H12 N O5 P -","- C32 H48 N4 O20 P4 -","4","1","GD3241","Cinčić, Dominik; Kaitner, Branko","3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions","Acta Crystallographica Section C","2008","64","10","o561","o565","10.1107/S0108270108028771","","","0.71073","MoKα","","0.0661","0.0467","","","0.1279","0.1496","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016807","3.7294","0.00013","20.095","0.0005","9.6217","0.0002","90","","98.8484","0.0011","90","","712.49","0.03","110","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridazine‒2,5-dichloro-3,6-dihydroxy-<i>p</i>-benzoquinone (2/1)","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","GD3243","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K","Acta Crystallographica Section C","2008","64","10","o550","o553","10.1107/S0108270108029028","","","0.71075","MoKα","","0.0343","0.0299","","","0.0824","0.0835","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016808","3.753","0.0003","18.3915","0.0014","10.7248","0.0008","90","","94.103","0.003","90","","738.36","0.1","110","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyrazine‒2,5-dichloro-3,6-dihydroxy-<i>p</i>-benzoquinone (2/1)","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","GD3243","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2/1) and 1,4-diazine‒chloranilic acid (2/1) determined at 110 K","Acta Crystallographica Section C","2008","64","10","o550","o553","10.1107/S0108270108029028","","","0.71075","MoKα","","0.0483","0.0433","","","0.104","0.1078","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016809","17.112","0.006","7.636","0.003","13.174","0.005","90","","111.29","0.02","90","","1603.9","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(5-iodothiophen-2-yl)prop-2-en-1-one,","","- C17 H11 Cl I N O S -","- C17 H11 Cl I N O S -","- C68 H44 Cl4 I4 N4 O4 S4 -","4","1","GG3168","Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood","Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline","Acta Crystallographica Section C","2008","64","10","o547","o549","10.1107/S0108270108029326","","","0.71073","MoKα","","0.068","0.041","","","0.084","0.097","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016810","36.228","0.01","7.372","0.003","11.214","0.005","90","","99.7","0.02","90","","2952","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C144 H112 Cl8 N8 O16 -","8","1","GG3168","Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood","Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline","Acta Crystallographica Section C","2008","64","10","o547","o549","10.1107/S0108270108029326","","","0.71073","MoKα","","0.073","0.044","","","0.094","0.11","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016811","10.509","0.004","33.708","0.006","11.967","0.003","90","","111.388","0.006","90","","3947.2","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2- ylidene]rhodium(II)](Rh—Rh) tetrahydrofuran tetrasolvate","","- C78 H116 N4 O12 Rh2 -","- C78 H116 N4 O12 Rh2 -","- C156 H232 N8 O24 Rh4 -","2","0.5","HJ3081","André, Vânia; Duarte, M. Teresa; Trindade, Alexandre F.; Góis, Pedro M. P.; Afonso, Carlos A. M.","Tetra-μ-acetato-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]rhodium(II)}(<i>Rh</i>—<i>Rh</i>) tetrahydrofuran tetrasolvate","Acta Crystallographica Section C","2008","64","10","m345","m348","10.1107/S0108270108026589","","","0.71069","MoKα","","0.1064","0.0714","","","0.1424","0.1508","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016812","7.0484","0.0004","19.4249","0.0007","10.3331","0.0005","90","","109.774","0.004","90","","1331.33","0.12","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-Diaquabis(nicotinamide-κ<i>N</i>)bis(salicylato-κ<i>O</i>)cobalt(II)","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","1","HJ3085","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali","<i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>)bis(salicylato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section C","2008","64","10","m317","m320","10.1107/S0108270108029521","","","0.71073","MoKα","","0.0487","0.0431","","","0.1114","0.1145","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016813","23.2847","0.0011","12.1184","0.0006","5.5709","0.0003","90","","90","","90","","1571.96","0.14","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","HJ3086","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Conformation of 1-aryl-2-aryloxy-1-propanols: <i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","Acta Crystallographica Section C","2008","64","10","o558","o560","10.1107/S0108270108026565","","","0.71073","MoKα","","0.0531","0.0412","","","0.1055","0.1122","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016814","12.2286","0.0002","12.4976","0.0007","12.951","","103.759","0.015","98.726","0.012","118.767","0.009","1600.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(carbonato-κ^2^O,O')bis[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^N:N']copper(II) 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate]","","- C29 H38 Cu N8 O8 -","- C29 H38 Cu N8 O8 -","- C58 H76 Cu2 N16 O16 -","2","1","HJ3087","Dai, Yu-Mei; Tang, En; Huang, Jin-Feng; Yang, Qiu-Yan","Poly[[sesqui[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')copper(II)] 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate]","Acta Crystallographica Section C","2008","64","10","m349","m352","10.1107/S0108270108028722","","","0.71073","MoKα","","","0.0466","","","0.109","0.1197","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016815","10.9251","0.0018","11.777","0.003","11.9438","0.0012","90.417","0.013","112.616","0.009","112.75","0.014","1286.1","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(1RS,2SR,3RS,5SR)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol","(2RS,3SR,4RS,6SR)-3-Benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1- dicarbonitrile","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","LN3114","Rodríguez, Ricuarte; Nogueras, Manuel; Low, John N.; Cobo, Justo; Glidewell, Christopher","(1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,5<i>SR</i>)-2-Benzoyl-4,4-dicyano-1,3,5-triphenylcyclohexanol at 120K: complex sheets built from C—H···O and C—H···N hydrogen bonds","Acta Crystallographica Section C","2008","64","10","o578","o582","10.1107/S0108270108030515","","","0.71073","MoKα","","0.1264","0.0568","","","0.104","0.1283","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016816","13.815","0.008","12.109","0.004","18.787","0.008","90","","106.55","0.02","90","","3013","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis{μ-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate","","- C28 H26 Cu2 N6 O14 -","- C28 H26 Cu2 N6 O14 -","- C112 H104 Cu8 N24 O56 -","4","0.5","SF3086","Yin, Hua","The new three-dimensional supramolecule bis{μ-2-[(4-hydroxybenzoyl)hydrazonomethyl]phenolato}bis[aquacopper(II)] dinitrate","Acta Crystallographica Section C","2008","64","10","m324","m326","10.1107/S0108270108026401","","","0.71073","MoKα","","0.0489","0.0372","","","0.1072","0.1136","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016817","9.032","0.003","11.758","0.002","9.208","0.002","90","","117.11","0.02","90","","870.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C38 H26 N10 O4 -","2","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0633","0.0373","","","0.0925","0.1036","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016818","16.384","0.005","9.725","0.004","13.181","0.003","90","","127.36","0.04","90","","1669.3","1.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C76 H52 N20 O8 -","4","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0598","0.0398","","","0.1001","0.1091","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016819","10.162","0.002","18.04","0.004","24.16","0.005","90","","92.78","0.03","90","","4423.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(pyrazino[2,3-<i>f</i>]-1,10-phenanthroline-κ^2^N,N')- bis(1,4-naphthalenedicarboxylato-κ^5^O,O':O'',O''':O')dicadmium(II)","","- C52 H28 Cd2 N8 O8 -","- C52 H28 Cd2 N8 O8 -","- C208 H112 Cd8 N32 O32 -","4","1","SQ3163","Qiao, Qian; Zhao, Ya-Juan; Tang, Tian-Di","A six-connected α-polonium net based on tetranuclear Cd^II^ nodes","Acta Crystallographica Section C","2008","64","10","m336","m338","10.1107/S0108270108028539","","","0.71073","MoKα","","0.0573","0.0381","","","0.0803","0.0862","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016820","12.28","0.003","9.4471","0.0019","7.3028","0.0015","90","","99.97","0.03","90","","834.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3'-Methylacetanilide","3'-Methylacetanilide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","AV3158","Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim","3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature","Acta Crystallographica Section C","2008","64","11","o599","o603","10.1107/S0108270108033374","","","0.71073","MoKα","","0.0633","0.042","","","0.1286","0.1352","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016821","5.5957","0.0011","8.2201","0.0016","19.278","0.004","90","","90","","90","","886.7","0.3","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzylthioacetamide","N-benzylthioacetamide","","- C9 H11 N S -","- C9 H11 N S -","- C36 H44 N4 S4 -","4","1","AV3158","Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim","3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature","Acta Crystallographica Section C","2008","64","11","o599","o603","10.1107/S0108270108033374","","","0.71073","MoKα","","0.0226","0.0213","","","0.0646","0.0657","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016822","8.321","0.001","10.977","0.002","15.365","0.003","71.62","0.02","75.16","0.03","71.89","0.02","1246.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[di-μ~5~-adipato-μ~4~-adipato-bis(2-phenyl-1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^N^7^,N^8^)tricadmium(II)]","","- C56 H48 Cd3 N8 O12 -","- C56 H48 Cd3 N8 O12 -","- C56 H48 Cd3 N8 O12 -","1","0.5","AV3161","Kong, Zhi-Guo; Wang, Jia-Jun; Wang, Xiu-Yan","A novel cadmium(II) coordination polymer with a four-connected (4,4)-net based on a trinuclear cadmium(II) node","Acta Crystallographica Section C","2008","64","11","m365","m368","10.1107/S010827010803182X","","","0.71073","MoKα","","0.044","0.0311","","","0.064","0.0685","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016823","17.8007","0.0003","6.8163","0.0002","13.9992","0.0003","90","","117.809","0.001","90","","1502.42","0.06","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","synthesized at ISM","2,3-diethoxy-9,10-anthraquinone","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","0.5","DN3097","Allouchi, Hassan; Bravic, Georges; Lahrahar, Nacer; Desvergne, Jean-Pierre; Bouas-Laurent, Henri","2,3-Diethoxy-9,10-anthraquinone","Acta Crystallographica Section C","2008","64","11","o620","o622","10.1107/S0108270108034227","","","0.71073","MoKα","","0.0629","0.0486","","","0.1335","0.1486","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016824","17.483","0.003","5.8363","0.0009","13.086","0.002","90","","99.033","0.006","90","","1318.7","0.4","166","2","166","2","","","","","","","","5","C 1 2 1","C 2y","5","Rasagiline ethanedisulfonate","bis[(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-aminium] ethanedisulfonate","","- C26 H32 N2 O6 S2 -","- C26 H32 N2 O6 S2 -","- C52 H64 N4 O12 S4 -","2","0.5","DN3098","Brüning, Jürgen; Bats, Jan W.; Schmidt, Martin U.","Rasagiline ethanedisulfonate: an inhibitor for monoamine oxygenase B (MAO~B~)","Acta Crystallographica Section C","2008","64","11","o613","o615","10.1107/S0108270108032526","","","0.71073","MoKα","","0.1144","0.0557","","","0.0985","0.1166","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016825","16.32","0.002","8.7378","0.0009","7.3854","0.0008","90","","90","","90","","1053.2","0.2","295","2","293","2","","","","","","","Synthetic","5","P n c a","-P 2a 2n","60","sodium titanosilicate hydrate","disodium titanium tetrasilicate dihydrate","Penkvilksite","- H4 Na2 O13 Si4 Ti -","- H2 Na2 O13 Si4 Ti -","- H8 Na8 O52 Si16 Ti4 -","4","0.5","FA3162","Cadoni, Marcella; Ferraris, Giovanni","Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~·2H~2~O","Acta Crystallographica Section C","2008","64","11","i87","i90","10.1107/S0108270108031806","","","0.71073","MoKα","","0.0868","0.0756","","","0.1568","0.161","","","","","","1.23","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016826","7.2418","0.0009","13.4867","0.0017","12.9531","0.0016","90","","90.229","0.002","90","","1265.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[chlorido[μ~4~-2,2'-(2-methylbenzimidazolium-1,3- diyl)diacetato]cadmium(II)]","","- C12 H11 Cd Cl N2 O4 -","- C12 H11 Cd Cl N2 O4 -","- C48 H44 Cd4 Cl4 N8 O16 -","4","1","FA3164","Gui, Liu-Cheng; Li, Fa-Si; Cen, Zhong-Min; Wang, Xiu-Jian; Li, Bin","A coordination polymer of CdCl~2~ with the novel zwitterionic dicarboxylate ligand 2,2'-(2-methylbenzimidazolium-1,3-diyl)diacetate (pda)","Acta Crystallographica Section C","2008","64","11","m378","m380","10.1107/S0108270108032861","","","0.71073","MoKα","","0.0424","0.0315","","","0.1048","0.1251","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016827","11.983","0.0006","17.5374","0.0008","14.0363","0.0007","90","","107.289","0.003","90","","2816.5","0.2","106","2","106","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-cyano-4-[3-(1-decyl-1,4-dihydroquinolin-4-ylidene)prop-1-enyl]- 5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile","","- C32 H36 N4 O -","- C32 H36 N4 O -","- C128 H144 N16 O4 -","4","1","FG3060","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors","Acta Crystallographica Section C","2008","64","11","o616","o619","10.1107/S0108270108033404","","","0.71073","MoKα","","0.1742","0.0554","","","0.1272","0.2025","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016828","12.5261","0.0007","9.8849","0.0005","24.3711","0.0013","90","","92.211","0.003","90","","3015.4","0.3","97","2","97","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-cyano-4-[5-(1-decyl-1,4-dihydroquinolin-4-ylidene)penta-1,3-dienyl]-5,5- dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile","","- C34 H38 N4 O -","- C34 H38 N4 O -","- C136 H152 N16 O4 -","4","1","FG3060","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. III. Structural parameters of two chromophores containing aromatizable donors","Acta Crystallographica Section C","2008","64","11","o616","o619","10.1107/S0108270108033404","","","0.71073","MoKα","","0.1147","0.0544","","","0.1265","0.1476","","","","","","0.951","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016829","7.5228","0.001","13.8222","0.0018","30.755","0.004","90","","90","","90","","3198","0.7","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","2,4,6-trifluorobenzonitrile","","- C7 H2 F3 N -","- C7 H2 F3 N -","- C140 H40 F60 N20 -","20","1.25","FN3002","Britton, Doyle","2,4,6-Trifluorobenzonitrile","Acta Crystallographica Section C","2008","64","11","o583","o585","10.1107/S0108270108031739","","","0.71073","MoKα","","0.0454","0.0399","","","0.1222","0.1269","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016830","14.539","0.003","17.472","0.004","22.623","0.004","90","","90","","90","","5747","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')silver(I)] hydrogen 3-phosphonatobenzenesulfonate trihydrate]","","- C26 H27 Ag2 N4 O9 P S -","- C26 H27 Ag2 N4 O9 P S -","- C208 H216 Ag16 N32 O72 P8 S8 -","8","1","GA3106","Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun","Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]","Acta Crystallographica Section C","2008","64","11","m353","m357","10.1107/S0108270108028072","","","0.71073","MoKα","","0.0393","0.0359","","","0.0766","0.0783","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016831","14.9569","0.0008","22.5625","0.0011","12.1697","0.0007","90","","90","","90","","4106.8","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-tetraaquacobalt(II)] hydrogen 3-phosphonatobenzenesulfonate]","","- C16 H21 Co N2 O10 P S -","- C16 H21 Co N2 O10 P S -","- C128 H168 Co8 N16 O80 P8 S8 -","8","","GA3106","Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun","Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]","Acta Crystallographica Section C","2008","64","11","m353","m357","10.1107/S0108270108028072","","","0.71073","MoKα","","0.0427","0.0398","","","0.0902","0.0922","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016832","3.923","0.004","10.701","0.009","10.754","0.009","90","","93.4","0.08","90","","450.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-diamino-1,2,4-thiadiazole","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","1","GD3250","Hołyńska, Małgorzata; Kubiak, Maria","Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide","Acta Crystallographica Section C","2008","64","11","o609","o612","10.1107/S0108270108032769","","","0.71073","MoKα","","0.0287","0.0245","","","0.0584","0.0598","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016833","6.84","0.006","7.374","0.007","8.019","0.004","76.48","0.08","66.48","0.06","78.43","0.08","358","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)uronium hydrogen sulfate","","- C2 H8 N4 O5 S -","- C2 H8 N4 O5 S -","- C4 H16 N8 O10 S2 -","2","1","GD3250","Hołyńska, Małgorzata; Kubiak, Maria","Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide","Acta Crystallographica Section C","2008","64","11","o609","o612","10.1107/S0108270108032769","","","0.71073","MoKα","","0.0295","0.0273","","","0.0759","0.0772","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016834","24.323","0.002","5.4408","0.0004","27.066","0.002","90","","111.328","0.009","90","","3336.5","0.5","233","2","233","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","europium ethanesulfonate trihydrate","catena-poly[[triaquabis(ethanesulfonato-κO)europium(III)]-μ-ethanesulfonato- κ^2^O:O']","","- C6 H21 Eu O12 S3 -","- C6 H21 Eu O12 S3 -","- C48 H168 Eu8 O96 S24 -","8","1","GG3175","Wallus, Sarah; Frank, Walter","The first structural characterization of a rare earth ethanesulfonate","Acta Crystallographica Section C","2008","64","11","m384","m386","10.1107/S0108270108033180","","","0.71073","MoKα","","0.0253","0.0214","","","0.0495","0.0498","","","","","","1.219","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016835","27.1406","0.0016","23.1672","0.0013","9.7838","0.0006","90","","108.819","0.003","90","","5822.9","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)manganate(II/III)] hydroxide pyridine-2,6-dicarboxylic acid solvate pentahydrate","","- C44 H54 Mn2 N23 O28 -","- C44 H54 Mn2 N23 O28 -","- C176 H216 Mn8 N92 O112 -","4","0.5","GZ3154","Aghabozorg, Hossein; Derikvand, Zohreh; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar","Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)manganate(II/III)] hydroxide pyridine-2,6-dicarboxylic acid solvate pentahydrate","Acta Crystallographica Section C","2008","64","11","m372","m374","10.1107/S0108270108032204","","","0.71073","MoKα","","0.0819","0.0778","","","0.1878","0.1893","","","","","","1.332","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016836","13.5385","0.0017","15.0756","0.0019","19.224","0.003","90","","100.42","0.003","90","","3858.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Aminopyridine-κN^1^)(phthalocyaninato-κ^4^N)zinc(II) tetrahydrofuran disolvate","","- C45 H38 N10 O2 Zn -","- C45 H38 N10 O2 Zn -","- C180 H152 N40 O8 Zn4 -","4","1","HJ3088","Yang, Feng-Ju; Fang, Xin; Yu, Hai-Yang; Wang, Jun-Dong","(4-Aminopyridine-κ<i>N</i>^1^)(phthalocyaninato-κ^4^<i>N</i>)zinc(II) tetrahydrofuran disolvate","Acta Crystallographica Section C","2008","64","11","m375","m377","10.1107/S0108270108032472","","","0.71069","MoKα","","0.047","0.0438","","","0.1174","0.1208","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016837","4.7982","0.0003","5.5801","0.0003","6.7217","0.0003","74.266","0.003","86.33","0.003","69.924","0.003","162.617","0.016","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Dicadmium copper dis(phosphate)","dicadmium copper(II) bis[phosphate(V)]","","- Cd2 Cu O8 P2 -","- Cd2 Cu O8 P2 -","- Cd2 Cu O8 P2 -","1","0.5","KU3001","Stojanović, Jovica; Dordević, Tamara; Karanović, Ljiljana","Cd~2~Cu(PO~4~)~2~","Acta Crystallographica Section C","2008","64","11","i91","i94","10.1107/S0108270108032332","","","0.71073","MoKα","","0.0207","0.0177","","","0.0424","0.0433","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016838","5.7386","0.0003","15.0677","0.0006","15.4981","0.0007","88.411","0.002","88.55","0.002","83.009","0.002","1329.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-(2,2,5,5-tetramethyl-1-oxyl-Δ^3^-pyrrolin-3-ylmethyl) methanethiosulfonate","","- C10 H18 N O3 S2 -","- C10 H18 N O3 S2 -","- C40 H72 N4 O12 S8 -","4","2","LN3113","Zielke, Vitali; Eickmeier, Henning; Hideg, Kalman; Reuter, Hans; Steinhoff, Heinz-Jürgen","A commonly used spin label: <i>S</i>-(2,2,5,5-tetramethyl-1-oxyl-Δ^3^-pyrrolin-3-ylmethyl) methanethiosulfonate","Acta Crystallographica Section C","2008","64","11","o586","o589","10.1107/S0108270108032113","","","0.71073","MoKα","","0.0427","0.0345","","","0.0857","0.0905","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016839","8.7633","0.0002","12.448","0.0002","16.2201","0.0003","90","","96.158","0.001","90","","1759.17","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[hexaaquaocta-μ~3~-hydroxido-tetrakis(μ~3~-methylenedisulfonato)-μ~6~- oxido-hexaytterbium(III)]","","- C4 H28 O39 S8 Yb6 -","- C4 H28 O39 S8 Yb6 -","- C8 H56 O78 S16 Yb12 -","2","0.5","MX3004","Zhang, Zai-Chao","Poly[hexaaquaocta-μ~3~-hydroxido-tetrakis(μ~3~-methylenedisulfonato)-μ~6~-oxido-hexaytterbium(III)]: the first lanthanide sulfonate containing a hexanuclear Ln‒hydroxide/oxide cluster synthesized <i>via</i> `ligand-controlled acidolysis' of lanthanide oxide","Acta Crystallographica Section C","2008","64","11","m381","m383","10.1107/S0108270108033684","","","0.71073","MoKα","","0.029","0.0276","","","0.0737","0.0749","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016840","5.3532","0.0001","10.8585","0.0003","8.9913","0.0002","90","","90.022","0.001","90","","522.64","0.02","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(glycinium) pentafluoridooxidoniobate(V)","bis(glycinium) pentafluoridooxidoniobate(V)","","- C4 H12 F5 N2 Nb O5 -","- C4 H12 F5 N2 Nb O5 -","- C8 H24 F10 N4 Nb2 O10 -","2","0.5","SF3082","Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.","Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","Acta Crystallographica Section C","2008","64","11","m358","m361","10.1107/S0108270108026413","","","0.71073","MoKα","","0.0311","0.0278","","","0.0729","0.0748","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016841","6.9552","0.0008","7.2092","0.0008","8.0205","0.0009","74.609","0.002","86.223","0.002","74.016","0.002","372.74","0.07","203","2","203","2","","","","","","","","6","P -1","-P 1","2","bis(β-alaninium) pentafluoridooxidoniobate(V)dihydrate","bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","","- C6 H20 F5 N2 Nb O7 -","- C6 H20 F5 N2 Nb O7 -","- C6 H20 F5 N2 Nb O7 -","1","0.5","SF3082","Gerasimenko, A. V.; Pushilin, M. A.; Davidovich, R. L.","Disordering of the [NbOF~5~]^2{-^} complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate","Acta Crystallographica Section C","2008","64","11","m358","m361","10.1107/S0108270108026413","","","0.71073","MoKα","","0.0272","0.0252","","","0.0631","0.0639","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016842","8.9023","0.0002","14.3095","0.0003","10.6151","0.0002","90","","105.817","0.002","90","","1301.03","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0357","0.0343","","","0.111","0.1129","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016843","12.9699","0.0004","15.2714","0.0005","16.6176","0.0006","90","","90","","90","","3291.42","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C136 H128 N16 O32 S8 -","8","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0454","0.0386","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016844","8.4655","0.0007","11.5938","0.0009","13.0982","0.0011","68.331","0.002","86.752","0.001","72.289","0.001","1135.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","indole urea","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1H-indol-3-yl)butanoyl]urea","","- C25 H35 N3 O2 -","- C25 H35 N3 O2 -","- C50 H70 N6 O4 -","2","1","SK3261","Basu, Sharmila; Ghosh, Soumen; Ghosh, Somnath; Helliwell, Madeleine; Mukherjee, Alok K.","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1<i>H</i>-indol-3-yl)butanoyl]urea","Acta Crystallographica Section C","2008","64","11","o595","o598","10.1107/S0108270108031740","","","0.71073","MoKα","","0.0422","0.0356","","","0.0967","0.1004","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016845","11.993","0.002","13.516","0.003","14.196","0.003","62.13","0.03","70.55","0.02","82.24","0.03","1917.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[(μ~4~-biphenyl-2,2'-dicarboxylato)(dipyrido[3,2-a:2',3'- c]phenazine)manganese(II)]","","- C46 H26 Mn2 N4 O8 -","- C46 H26 Mn2 N4 O8 -","- C92 H52 Mn4 N8 O16 -","2","1","SK3265","Che, Guang-Bo; Wang, Jian; Liu, Chun-Bo; Li, Xiu-Ying; Liu, Bo","A one-dimensional chain structure based on unusual tetranuclear manganese(II) clusters","Acta Crystallographica Section C","2008","64","11","m362","m364","10.1107/S0108270108031272","","","0.71073","MoKα","","0.104","0.0562","","","0.1219","0.1419","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016846","10.815","0.002","12.963","0.003","6.3422","0.0013","90","","105.33","0.03","90","","857.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-aqua-κ^2^<i>O</i>:<i>O</i>)(μ~3~-azido- κ^3^<i>N</i>^1^:<i>N</i>^3^:<i>N</i>^3^)(μ~2~-isonicotinato- κ^2^<i>O</i>:<i>O</i>')lead(II)]","","- C6 H6 N4 O3 Pb -","- C6 H6 N4 O3 Pb -","- C24 H24 N16 O12 Pb4 -","4","1","SQ3167","Huang, Gansheng; Liu, Dongsheng; Huang, Xihe; Huang, Changcang; Qin, Xiaohuan","Poly[(μ~2~-aqua-κ^2^<i>O</i>:<i>O</i>)(μ~3~-azido-κ^3^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^3^)(μ~2~-isonicotinato-κ^2^<i>O</i>:<i>O</i>')lead(II)]","Acta Crystallographica Section C","2008","64","11","m369","m371","10.1107/S0108270108031065","","","0.71073","MoKα","","0.046","0.0447","","","0.1254","0.1273","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016847","10.1172","0.0005","10.2052","0.0005","20.2764","0.001","104.171","0.0012","98.9405","0.001","101.063","0.0012","1946.49","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,2-Dibromo-4,5-dimethoxybenzene","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C64 H64 Br16 O16 -","8","4","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0784","0.0356","","","0.0816","0.0966","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016848","8.993","0.004","13.882","0.009","16.506","0.004","90","","90","","90","","2060.6","1.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Diiodo-4,5-dimethoxybenzene","","- C8 H8 I2 O2 -","- C8 H8 I2 O2 -","- C64 H64 I16 O16 -","8","1","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0752","0.0419","","","0.1029","0.1083","","","","","","1.411","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016849","15.137","0.006","11.966","0.002","11.168","0.002","90","","112.9","0.02","90","","1863.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0687","0.0654","","","0.1722","0.1764","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016850","11.953","0.002","11.146","0.002","13.914","0.003","90","","90","","90","","1853.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0462","0.0372","","","0.1043","0.111","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016851","7.8769","0.0016","8.8723","0.0018","11.13","0.002","102.88","0.03","98.22","0.03","109.7","0.03","693.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)- 1<i>H</i>-benzotriazole]","","- C12 H10 Cl2 Hg N4 -","- C12 H10 Cl2 Hg N4 -","- C24 H20 Cl4 Hg2 N8 -","2","1","BG3087","Liu, Chun-Sen; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Fang, Shao-Ming","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]: the effect of different metal centers on the self-assembly of coordination complexes","Acta Crystallographica Section C","2008","64","12","m394","m397","10.1107/S0108270108038146","","","0.71073","MoKα","","0.059","0.052","","","0.1139","0.1204","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016852","9.4019","0.0006","13.4089","0.0008","18.0173","0.0011","90","","90","","90","","2271.4","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","eletriptan hydrobromide monohydrate","(1S,2R)-1-methyl-2-{5-[2-(phenylsulfonyl)ethyl]-1<i>H</i>-indol-3- ylmethyl}pyrrolidinium bromide monohydrate","","- C22 H29 Br N2 O3 S -","- C22 H29 Br N2 O3 S -","- C88 H116 Br4 N8 O12 S4 -","4","1","DN3101","Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.","Halide salts of antimigraine agents eletriptan and naratriptan","Acta Crystallographica Section C","2008","64","12","o653","o656","10.1107/S0108270108037621","","","0.71073","MoKα","","0.0252","0.0236","","","0.0656","0.0663","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016853","6.1914","0.0005","12.2298","0.001","12.9948","0.0011","78.348","0.001","76.338","0.001","86.033","0.001","936.18","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","naratriptan hydrochloride","1-methyl-4-{5-[2-(methylsulfamoyl)ethyl]-1<i>H</i>-indol-3-yl}piperidinium chloride","","- C17 H26 Cl N3 O2 S -","- C17 H26 Cl N3 O2 S -","- C34 H52 Cl2 N6 O4 S2 -","2","1","DN3101","Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.","Halide salts of antimigraine agents eletriptan and naratriptan","Acta Crystallographica Section C","2008","64","12","o653","o656","10.1107/S0108270108037621","","","0.71073","MoKα","","0.0393","0.0361","","","0.094","0.0966","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016856","9.1704","0.0009","18.2328","0.0019","15.3594","0.0015","90","","93.843","0.002","90","","2562.3","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-(2-{Bis[2-(1H-imidazol-2- ylmethyleneamino)ethyl]amino}ethyliminomethyl)imidazolido]cobalt(III) bis(tetrafluoridoborate) monohydrate","","- C18 H25 B2 Co F8 N10 O -","- C18 H25 B2 Co F8 N10 O -","- C72 H100 B8 Co4 F32 N40 O4 -","4","1","FG3063","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","[2-(2-{Bis[2-(1<i>H</i>-imidazol-2-ylmethyleneamino)ethyl]amino}ethyliminomethyl)imidazolido]cobalt(III) bis(tetrafluoridoborate) monohydrate","Acta Crystallographica Section C","2008","64","12","m387","m389","10.1107/S0108270108033714","","","0.71073","MoKα","","0.1175","0.0662","","","0.1654","0.1942","","","","","","0.926","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016857","16.2963","0.0002","23.3235","0.0005","7.4094","0.0007","90","","90","","90","","2816.2","0.3","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-phenylpropylammonium benzoate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.049","","","","0.1333","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016858","6.9616","0.0002","12.8517","0.0003","17.7512","0.0003","90","","90","","90","","1588.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-phenylpropylammonium 3-iodobenzoate","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.0232","","","","0.0505","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016859","9.9821","0.0011","9.9821","0.0011","11.3122","0.0012","90","","90","","90","","1127.2","0.2","298","2","298","2","","","","","","","Jas Roux, France","8","I -4 2 m","I -4 2","121","routhierite","Routhierite","Routhierite","- Ag0.35 As1.7 Cu0.65 Hg1.7 S6 Sb0.3 Tl Zn0.3 -","- Ag0.356 As1.696 Cu0.644 Hg1.702 S6 Sb0.304 Tl Zn0.298 -","- Ag1.424 As6.784 Cu2.576 Hg6.808 S24 Sb1.216 Tl4 Zn1.192 -","4","0.25","FN3007","Bindi, Luca","Routhierite, Tl(Cu,Ag)(Hg,Zn)~2~(As,Sb)~2~S~6~","Acta Crystallographica Section C","2008","64","12","i95","i96","10.1107/S0108270108037980","","","0.71073","MoKα","","0.0117","0.0113","","","0.011","0.0111","","","","","","0.879","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016860","27.419","0.004","10.586","0.0013","21.58","0.003","90","","122.625","0.011","90","","5275.4","1.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-7-(4-chlorobenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C31 H37 Cl N3 O2.5 -","- C31 H37 Cl N3 O2.5 -","- C248 H296 Cl8 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.0685","0.0511","","","0.1196","0.1323","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016861","27.4453","0.0007","10.5519","0.0008","21.715","0.002","90","","122.484","0.007","90","","5304.7","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-7-(4-bromobenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C31 H37 Br N3 O2.5 -","- C31 H37 Br N3 O2.5 -","- C248 H296 Br8 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1237","0.0692","","","0.1752","0.2055","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016862","27.281","0.005","10.6438","0.0015","21.567","0.003","90","","122.082","0.012","90","","5306.1","1.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-Butyl-4',4'-dimethyl-7-(4-methylbenzyl)-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione ethanol hemisolvate","","- C32 H40 N3 O2.5 -","- C32 H40 N3 O2.5 -","- C256 H320 N24 O20 -","8","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1395","0.0636","","","0.1397","0.1779","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016863","10.327","0.0012","11.997","0.0014","12.427","0.003","75.016","0.013","70.059","0.011","84.481","0.009","1398","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-Butyl-4',4'-dimethyl-1-phenyl-7-[4-(trifluoromethyl)benzyl]- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol hemisolvate","","- C32 H37 F3 N3 O2.5 -","- C32 H37 F3 N3 O2.5 -","- C64 H74 F6 N6 O5 -","2","1","GA3109","Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-benzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures","Acta Crystallographica Section C","2008","64","12","o637","o642","10.1107/S0108270108036937","","","0.71073","MoKα","","0.1571","0.069","","","0.1693","0.2237","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016864","9.8831","0.0003","11.2094","0.0003","14.7584","0.0004","102.853","0.002","101.899","0.001","98.733","0.001","1525.91","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","<i>cyclo</i>-bis{5-(oxymethyl)-4-{(<i>E</i>)-[(2-oxyphenyl)imino]methyl}- 2-methylpyridin-3-ol}diphenylsilane} chloroform tetrasolvate","9,27-dimethyl-3,3,21,21-tetraphenyl-2,4,20,22-tetraoxa-8,13,26,31-tetraaza- 3,21-disilapentacyclo[30.4.0.0^6,11^.0^14,19^.0^24,29^]hexatrideca- 1(32),6,8,10,12,14,16,18,24,26,28,30,33,35-tetradecaene-10,28-diol chloroform tetrasolvate","","- C56 H48 Cl12 N4 O6 Si2 -","- C56 H48 Cl12 N4 O6 Si2 -","- C56 H48 Cl12 N4 O6 Si2 -","1","0.5","GA3110","Böhme, Uwe; Günther, Betty; Schwarzer, Anke","Formation of a silicon-containing macrocycle with a pyridoxalimine Schiff base ligand","Acta Crystallographica Section C","2008","64","12","o630","o632","10.1107/S0108270108036238","","","0.71073","MoKα","","0.0581","0.043","","","0.1068","0.1139","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016865","27.7623","0.0006","14.3663","0.0003","12.6076","0.0002","90","","93.491","0.001","90","","5019.1","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(<i>tert</i>-butyldimethylsilyloxy)-9-oxabicyclo[3.3.1]nonane-3,7-diol","","- C20 H42 O5 Si2 -","- C20 H42 O5 Si2 -","- C160 H336 O40 Si16 -","8","2","GD3255","Foces-Foces, C.; López-Rodríguez, M.","Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives","Acta Crystallographica Section C","2008","64","12","o657","o660","10.1107/S0108270108038286","","","0.7107","MoKα","","0.0765","0.0633","","","0.141","0.157","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016866","15.0964","0.0017","13.6368","0.0015","24.291","0.002","90","","106.676","0.009","90","","4790.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8-Bis(<i>tert</i>-butyldimethylsilyloxy)-2,6-dioxatricyclo[3.3.1^3,7^]decane- 1,3-diol","","- C20 H40 O6 Si2 -","- C20 H40 O6 Si2 -","- C160 H320 O48 Si16 -","8","2","GD3255","Foces-Foces, C.; López-Rodríguez, M.","Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives","Acta Crystallographica Section C","2008","64","12","o657","o660","10.1107/S0108270108038286","","","0.71069","MoKα","","0.0625","0.0438","","","0.1041","0.1121","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016867","12.4594","0.0006","7.3115","0.0004","9.5878","0.0005","90","","93.843","0.002","90","","871.45","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0318","0.0304","","0.0712","0.0702","0.0712","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016868","12.4267","0.0003","7.30208","0.00018","9.5708","0.0002","90","","93.839","0.002","90","","866.51","0.04","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.029","0.0264","","0.0643","0.0637","0.0643","","","","","","1.0081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016869","12.419","0.0004","7.2933","0.0002","9.5671","0.0003","90","","93.841","0.003","90","","864.6","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","1.54184","CuKα","","0.0266","0.0264","","0.0709","0.0707","0.0709","","","","","","1.0562","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016870","12.4567","0.0005","7.3097","0.0003","9.592","0.0005","90","","93.8151","0.0016","90","","871.46","0.07","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","1-epi-Alexine hemihydrate","(1<i>S</i>,2<i>R</i>,3<i>R</i>,7<i>S</i>,7a<i>S</i>)-1,2,7-trihydroxy-3- (hydroxymethyl)pyrrolizidine hemihydrate","","- C8 H16 N O4.5 -","- C8 H16 N O4.5 -","- C32 H64 N4 O18 -","4","1","LN3116","Thompson, Amber L.; Watkin, David J.; Gal, Zoltan A.; Jones, Laurence; Hollinshead, Jackie; Jenkinson, Sarah F.; Fleet, George W. J.; Nash, Robert J.","The absolute configuration of 1-epialexine hemihydrate","Acta Crystallographica Section C","2008","64","12","o649","o652","10.1107/S0108270108037086","","","0.71073","MoKα","","0.0313","0.0285","","0.0671","0.0652","0.0671","","","","","","1.0052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016871","10.7178","0.0008","17.9925","0.0014","15.3662","0.0012","90","","94.006","0.002","90","","2956","0.4","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C112 H144 N32 O16 -","8","1","SK3264","Xu, Xing-Man; Su, Ping; Meng, Xiang-Gao","A new polymorph of 1,4-bis(imidazol-1-ylmethyl)benzene dihydrate and its hydrogen-bonded fivefold interpenetrated CdSO~4~ network","Acta Crystallographica Section C","2008","64","12","o675","o678","10.1107/S0108270108039504","","","0.71073","Mokα","","0.0873","0.0565","","","0.1233","0.1397","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016872","17.3","0.003","8.6107","0.0017","9.6027","0.0019","90","","92.41","0.03","90","","1429.2","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua(2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]","","- C10 H16 Ba O9 -","- C10 H16 Ba O9 -","- C40 H64 Ba4 O36 -","4","1","SK3267","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[aqua(μ-2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]","Acta Crystallographica Section C","2008","64","12","m398","m400","10.1107/S0108270108038857","","","0.71073","MoKα","","0.0258","0.024","","","0.0669","0.0681","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016873","13.1521","0.0012","11.9082","0.0011","15.9668","0.0015","90","","98.391","0.002","90","","2473.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,4'-ethylenedicarboxylato-bis[acetatoaqua(dipyrido[3,2-a:2',3'- c]phenazine)zinc(II)] dihydrate","","- C56 H44 N8 O12 Zn2 -","- C56 H44 N8 O12 Zn2 -","- C112 H88 N16 O24 Zn4 -","2","0.5","SK3269","Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng","Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates","Acta Crystallographica Section C","2008","64","12","m401","m404","10.1107/S0108270108038328","","","0.71073","MoKα","","0.0863","0.0459","","","0.1006","0.1156","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016874","11.2278","0.0011","11.3944","0.0011","11.8165","0.0011","84.345","0.002","69.421","0.002","83.982","0.001","1404.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)zinc(II)]-μ- 4,4'-ethylenedicarboxylato] N,N-dimethylformamide hemisolvate]","","- C31.5 H23.5 N4.5 O5.5 Zn -","- C31.5 H23.5 N4.5 O5.5 Zn -","- C63 H47 N9 O11 Zn2 -","2","1","SK3269","Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng","Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates","Acta Crystallographica Section C","2008","64","12","m401","m404","10.1107/S0108270108038328","","","0.71073","MoKα","","0.0647","0.0453","","","0.1083","0.1194","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016875","4.7069","0.0009","16.036","0.003","19.104","0.004","90","","91.08","0.03","90","","1441.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Benzylformamide","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","2","SK3271","Michta, Anna; Nowak, Maria; Kusz, Joachim","<i>N</i>-Benzylformamide at 150K","Acta Crystallographica Section C","2008","64","12","o633","o636","10.1107/S0108270108037578","","","0.71073","MoKα","","0.1092","0.066","","","0.1342","0.1419","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016876","7.022","0.006","12.855","0.009","16.199","0.008","90","","93.851","0.005","90","","1458.9","1.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-phenyl-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepine","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.0984","0.0846","","","0.2173","0.2254","","","","","","1.201","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016877","6.9115","0.001","12.8801","0.0014","16.56","0.002","90","","95.11","0.01","90","","1468.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(2-fluorophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C18 H14 F N5 O -","- C18 H14 F N5 O -","- C72 H56 F4 N20 O4 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.0935","0.0598","","","0.1471","0.1712","","","","","","1.049","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2016878","7.047","0.004","13.502","0.007","16.418","0.005","90","","91.22","0.05","90","","1561.8","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(3-nitrophenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.1619","0.0611","","","0.1392","0.1823","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016879","7.6718","0.0018","13.2928","0.0015","15.969","0.002","90","","95.343","0.012","90","","1621.4","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-methoxy-6-(4-methoxyphenyl)-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,4]benzodiazepine","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C76 H68 N20 O8 -","4","1","SK3273","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Four 2-amino-6-aryl-4-methoxy-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]benzodiazepines: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2008","64","12","o643","o648","10.1107/S010827010803669X","","","0.71073","MoKα","","0.2114","0.0693","","","0.1477","0.1892","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016880","9.5971","0.0008","11.2549","0.0016","12.1452","0.0014","86.979","0.011","85.487","0.01","87.216","0.007","1304.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-Butyl-7-(4-methoxybenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione","","- C31 H37 N3 O3 -","- C31 H37 N3 O3 -","- C62 H74 N6 O6 -","2","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1417","0.0604","","","0.1445","0.199","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016881","12.4683","0.0015","10.2892","0.0012","21.7635","0.0016","90","","90.843","0.01","90","","2791.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(2,3-dimethoxybenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7- tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane- 2',6'-dione","","- C32 H39 N3 O4 -","- C32 H39 N3 O4 -","- C128 H156 N12 O16 -","4","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1028","0.0614","","","0.124","0.1379","","","","","","1.182","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016882","9.2691","0.0014","11.0898","0.0011","12.802","0.002","92.844","0.01","95.185","0.012","91.07","0.011","1308.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-4',4'-dimethyl-7-(3,4-methylenedioxobenzyl)-1-phenyl- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione","","- C31 H35 N3 O4 -","- C31 H35 N3 O4 -","- C62 H70 N6 O8 -","2","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.1695","0.0626","","","0.1289","0.1712","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016883","13.577","0.0017","17.476","0.003","26.67","0.003","90","","90","","90","","6328","1.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol 0.67-solvate","","- C34.34 H45.02 N3 O5.67 -","- C34.34 H45.02 N3 O5.67 -","- C274.72 H360.16 N24 O45.36 -","8","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.13","0.0866","","","0.1877","0.2056","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016884","11.9298","0.0018","10.5678","0.001","19.614","0.002","90","","96.627","0.01","90","","2456.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro- 1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C29 H30 F3 N3 O2 -","- C29 H30 F3 N3 O2 -","- C116 H120 F12 N12 O8 -","4","1","SK3277","Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2008","64","12","o671","o674","10.1107/S0108270108038808","","","0.71073","MoKα","","0.1067","0.0611","","","0.1272","0.1514","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016885","9.1904","0.001","11.9402","0.0014","22.2888","0.0016","90","","97.287","0.009","90","","2426.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro- 1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C29 H33 N3 O3 -","- C29 H33 N3 O3 -","- C116 H132 N12 O12 -","4","1","SK3277","Trilleras, Jorge; Cruz, Silvia; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in 3-<i>tert</i>-butyl-1-phenyl-7-(4-trifluoromethylbenzyl)-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione and 3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2008","64","12","o671","o674","10.1107/S0108270108038808","","","0.71073","MoKα","","0.1269","0.0543","","","0.1088","0.1434","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016886","18.2621","0.001","14.706","0.001","28.934","0.002","90","","98.236","0.003","90","","7690.4","0.9","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[1,2-(diphenylphosphino)ethane]bromido{chloro[3- (triphenylphosphonio)cyclopentadienylidene]diazomethanediido}tungsten(IV) hexafluorophosphate dichloromethane 0.6-solvate","","- C76.6 H67.2 Br Cl2.2 F6 N2 P6 W -","- C76 H66 Br Cl F6 N2 P6 W -","- C304 H264 Br4 Cl4 F24 N8 P24 W4 -","4","1","SQ3171","Colquhoun, Howard M.; Chippindale, Ann M.; Chan, Yun Fu","A tungsten complex containing a highly delocalized metal‒ligand system","Acta Crystallographica Section C","2008","64","12","m390","m393","10.1107/S0108270108037232","","","0.71073","MoKα","","0.0856","0.0362","","0.0796","0.0369","0.0369","","","","","","1.0868","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016887","9.3198","0.0004","10.3218","0.0003","26.2663","0.001","90","","90","","90","","2526.74","0.16","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorpropamide, δ-form","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","1.5418","CuKα","","0.0984","0.0615","","","0.1499","0.1692","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016888","19.9121","0.001","7.3459","0.0004","9.1384","0.0004","90","","90","","90","","1336.69","0.12","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε-form","4-chloro-<i>N</i>-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","0.71073","MoKα","","0.0644","0.0347","","","0.0749","0.0803","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016889","31.1173","0.0016","8.9219","0.0006","19.0721","0.0014","90","","112.853","0.005","90","","4879.3","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol- 2-one","","- C27 H32 N4 O2 -","- C27 H32 N4 O2 -","- C216 H256 N32 O16 -","8","1","AB1009","Raves, M. L.; Kanters, J. A.; Tollenaere, J. P.","Structure of oxatomide monohydrate: an anti-allergic drug","Acta Crystallographica Section C","1992","48","9","1712","1713","10.1107/S0108270192006437","","","0.71073","MoKα","","","0.0581","","","0.0568","","","","","0.94","0.94","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016890","15.317","0.003","15.056","0.002","7.255","0.002","90","","90","","90","","1673.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Iodo-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 I O6 -","- C16 H17 I O6 -","- C64 H68 I4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","1.54056","Cu-Kα~1~","","","0.0377","","","0.0587","","","","","0.8421","0.8421","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2016892","9.526","0.002","20.167","0.002","11.067","0.002","90","","90","0.02","90","","2126.1","0.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C24 H14 F6 O3 -","- C24 F9 O3 -","- C96 F36 O12 -","4","1","AL1014","Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.","Structures of two (1:1) adducts of [α,α-bis(3,3,3-trifluoropropynyl)]benzyl benzoate and furan","Acta Crystallographica Section C","1993","49","3","595","598","10.1107/S0108270192010199","","","0.71069","MoKα","","","0.046","","","0.026","","","","","3.52","3.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016893","8.583","0.002","10.076","0.002","10.149","0.002","67.5","0.02","79.84","0.02","86.26","0.02","798.2","0.3","289","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H19 N -","- C22 H19 N -","- C44 H38 N2 -","2","1","LI1026","Van Meervelt, L.","Structure of 4-(9-phenanthryl)-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section C","1993","49","3","593","595","10.1107/S0108270192010059","","","1.54178","CuKα","","","","","","","","","","","0.46","0.46","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2016894","8.4569","0.0008","10.007","0.001","14.843","0.002","90","","91.963","0.009","90","","1255.4","0.2","292","","292","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-aminothiazole)dichlorozinc(II)","","- C6 H8 Cl2 N4 S2 Zn -","- C6 H8 Cl2 N4 S2 Zn -","- C24 H32 Cl8 N16 S8 Zn4 -","4","1","NA1019","Macíček, J.; Davarski, K.","Structure of bis(2-aminothiazole)dichlorozinc(II)","Acta Crystallographica Section C","1993","49","3","592","593","10.1107/S0108270192010382","","","0.71073","MoKα","","","0.024","","","0.03","","","","","1.095","1.095","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016895","18.93","0.01","23.029","0.008","12.807","0.004","90","","90.24","0.04","90","","5583","4","291","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C20 H45 Cl2 P Pt S -","- C20 Cl2 P Pt S -","- C160 Cl16 P8 Pt8 S8 -","8","2","PA1017","Michaud-Soret, I.; Kozelka, J.; Bois, C.","<i>cis</i>-Dichloro(di-<i>n</i>-butyl sulfide)(tri-<i>n</i>-butylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","3","589","591","10.1107/S0108270192010266","","","0.7107","MoKα","","","0.061","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016896","27.229","0.003","7.649","0.001","7.358","0.001","90","","90.82","0.02","90","","1532.3","0.3","297","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","11,14-dimethyl-dibenzo[c,i][1,2,5,8]dithiadiazecine- 12,13(11H,14H)-dione","","- C16 H14 N2 O2 S2 -","- C16 H14 N2 O2 S2 -","- C64 H56 N8 O8 S8 -","4","1","AS1048","Yamaguchi, K.; Itoh, T.; Nagata, K.; Okada, M.; Ohsawa, A.","Two novel ten-membered ring compounds: 1,2,5,8-dithiadiazecine-6,7-diones","Acta Crystallographica Section C","1993","49","8","1514","1517","10.1107/S010827019300099X","","","1.5405","CuKα~1~","","","0.0492","","","0.048","","","","","1.09","1.09","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2016897","8.377","0.006","10.848","0.009","11.043","0.009","104.68","0.07","102.31","0.06","97.01","0.06","931.8","1.4","289","1","289","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N4 Nd O9 -","- C12 H17 N4 Nd O9 -","- C24 H34 N8 Nd2 O18 -","2","1","AB1058","Starynowicz, P.","<i>catena</i>-Poly[{aqua(cyanoacetato-κ<i>O</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)neodymium}-di-μ-cyanoacetato-κ<i>O</i>,κ<i>O</i>':κ<i>O</i>'] monohydrate","Acta Crystallographica Section C","1993","49","9","1621","1623","10.1107/S0108270193002847","","","0.71069","MoKα","","","0.0529","","","0.0501","","","","","","","","","","","has coordinates","191099","2020-10-21","18:00:00",""
"2016898","12.314","0.004","10.274","0.003","14.422","0.004","90","","90","","90","","1824.6","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-4-oxo-3H,5H-6-imidazo[3,4-b]-[1,2,4]triazepinecarbonitrile","","- C8 H7 N5 O -","- C8 H7 N5 O -","- C64 H56 N40 O8 -","8","1","AL1045","Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P.","2-Methyl-4-oxo-3<i>H</i>,5<i>H</i>-6-imidazo[3,4-<i>b</i>][1,2,4]triazepinecarbonitrile: condensation product of a β-keto ester with 1,5-diamino-4-imidazolecarbonitrile under basic conditions","Acta Crystallographica Section C","1993","49","9","1693","1694","10.1107/S0108270193002896","","","0.71069","MoKα","","","0.0437","","","0.0425","","","","","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016899","10.09","0.002","13.406","0.002","13.625","0.002","90","","90","","90","","1843","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5α,12β,19α)-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester (vinadifformine)","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","NA1036","Palmisano, G.; Pilati, T.","Structures of the natural alkaloids vincadifformine and 8-oxotabersonine","Acta Crystallographica Section C","1993","49","9","1688","1691","10.1107/S0108270193003130","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.31","1.31","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2016900","10.677","0.001","10.677","0.001","35.268","0.003","90","","90","","90","","4020.5","0.6","295","2","295","2","","","","","","","","4","P 43 21 2","","","","(5α,12β,19α)-2,3,6,7-tetradehydro-8-oxo-aspidospermidine-3-carboxylic acid methyl ester (8-oxotabersonine).'C21 H22 N2 O3 . 1/2C4 H8 O2'","","- C23 H26 N2 O4 -","- C23 H22 N2 O4.5 -","- C184 H176 N16 O36 -","8","1","NA1036","Palmisano, G.; Pilati, T.","Structures of the natural alkaloids vincadifformine and 8-oxotabersonine","Acta Crystallographica Section C","1993","49","9","1688","1691","10.1107/S0108270193003130","","","0.71069","MoKα","","","0.06","","","0.056","","","","","1.78","1.78","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016901","10.708","0.001","9.229","0.002","25.205","0.002","90","","101.867","0.008","90","","2437.6","0.6","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C16 H28 Cl2 N6 O8 Zn -","- C16 H28 Cl2 N6 O12 Zn -","- C64 H112 Cl8 N24 O48 Zn4 -","4","1","ST1040","Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.","Isostructural trigonal-bipyramidal Cu^II^ and nominally 1% Cu^II^-doped Zn^II^ complexes with N~5~ ligation","Acta Crystallographica Section C","1993","49","9","1561","1564","10.1107/S0108270193004275","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016902","7.905","0.003","8.796","0.003","6.167","0.002","90","","93.91","0.03","90","","427.8","0.3","296","","296","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Quinuclidine-trifluoromonoborane","","- C7 H13 B F3 N -","- C7 H13 B F3 N -","- C14 H26 B2 F6 N2 -","2","0.5","AL1050","Banks, R. E.; Besheesh, M. K.; Pritchard, R. G.; Sharif, I.","Quinuclidine-trifluoromonoborane: a (1/1) Lewis base-Lewis acid complex","Acta Crystallographica Section C","1993","49","10","1804","1806","10.1107/S0108270193003658","","","0.71069","MoKα","","","0.0473","","","0.0322","","","","","2.789","2.789","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016903","13.402","0.002","12.0313","0.0017","13.983","0.002","90","","117.899","0.01","90","","1992.6","0.5","298","","","","","","","","","","metathesis of [RhCl(PEt~3~)~2~(CO)] with KNCS in acetone; crystals from hot petroleum ether","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 N O P2 Rh S -","- C14 H30 N O P2 Rh S -","- C56 H120 N4 O4 P8 Rh4 S4 -","4","0.5","HA1042","Blake, A. J.; Ebsworth, E. A. V.; Watson, P. G.","Structure of <i>trans</i>-carbonyl(thiocyanato-<i>N</i>)bis(triethylphosphine)rhodium(I)","Acta Crystallographica Section C","1993","49","10","1773","1775","10.1107/S0108270193002926","","","1.54184","CuKα","","","0.0527","","","0.075","","","","","1.247","1.247","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016904","9.436","0.002","9.983","0.002","18.341","0.002","90","","92.98","0.01","90","","1725.4","0.5","292","","292","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyano-4-(2-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C22 H15 F N2 -","- C22 H15 F N2 -","- C88 H60 F4 N8 -","4","1","KA1036","Macíček, J.; Angelova, O.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. II. 3-Cyano-4-(<i>n</i>-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 4)","Acta Crystallographica Section C","1993","49","10","1818","1821","10.1107/S0108270193003166","","","0.71073","MoKα","","0.209","0.06","","0.082","0.072","","","","1.569","1.405","1.405","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016905","18.505","0.005","10.077","0.003","20.153","0.008","90","","111.367","","90","","3500","2","292","","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyano-4-(4-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C22 H15 F N2 -","- C22 H15 F N2 -","- C176 H120 F8 N16 -","8","1","KA1036","Macíček, J.; Angelova, O.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. II. 3-Cyano-4-(<i>n</i>-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 4)","Acta Crystallographica Section C","1993","49","10","1818","1821","10.1107/S0108270193003166","","","0.71073","MoKα","","0.467","0.06","","0.206","0.029","","","","6.971","1.387","1.387","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016906","10.591","0.001","9.724","0.001","18.324","0.003","90","","106.26","0.01","90","","1811.6","0.4","292","","292","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-cyano-4-(4-cyanophenyl)-1,1-diphenyl-2-aza-1,3-butadiene","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","KA1037","Angelova, O.; Macíček, J.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. III. 3-Cyano-4-(4-cyanophenyl)-1,1-diphenyl-2-aza-1,3-butadiene","Acta Crystallographica Section C","1993","49","10","1821","1823","10.1107/S0108270193003178","","","0.71073","MoKα","","0.891","0.069","","0.478","0.058","","","","5.943","1.19","1.19","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016907","11.956","0.003","16.275","0.003","19.501","0.004","90","","97.03","0.01","90","","3766.1","1.4","292","","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-azabutadiene","","- C22 H14 Cl2 N2 -","- C22 H14 Cl2 N2 -","- C176 H112 Cl16 N16 -","8","1","KA1045","Macíček, J.; Angelova, O.; Dryanska, V.","Structures of 1,1-diphenyl-2-aza-1,3-butadienes. IV. 3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24CLPD) and 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24MOPD)","Acta Crystallographica Section C","1993","49","12","2169","2173","10.1107/S0108270193006420","","","0.71073","MoKα","","0.165","0.041","","0.325","0.061","","","","4.595","1.109","1.109","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016908","19.165","0.003","19.165","0.003","25.06","0.004","90","","90","","120","","7971","2","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","acid neodymium(III)cerium(IV)sulphate hydrate","","","- Ce12 H307.33 Nd14 O360.55 S54 -","- Ce6 Nd7 O180.32 S27 -","- Ce12 Nd14 O360.64 S54 -","2","0.166667","LI1068","Barnes, J. C.; Paton, J. D.; Seaward, K. F.","Structure of an acid neodymium(III) cerium(IV) sulfate hydrate, H~9~Nd~7~Ce~6~(SO~4~)~27~.72.33H~2~O","Acta Crystallographica Section C","1993","49","12","2057","2060","10.1107/S0108270193006171","","","0.71069","MoKα","","0.051","0.0378","","0.1458","0.1156","","","","0.601","0.598","0.598","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016909","8.282","0.001","17.099","0.002","8.367","0.001","90","","117.08","0.02","90","","1055","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","2","NA1032","Puliti, R.; Mattia, C. A.; Lilley, T. H.","Structure of <i>N</i>-acetyl-<small>L</small>-prolylglycinamide","Acta Crystallographica Section C","1993","49","12","2173","2176","10.1107/S0108270193005281","","","1.54056","CuKα","","","0.036","","","0.038","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016910","8.428","0.002","9.816","0.002","10.064","0.002","64.55","0.02","73.66","0.02","79.39","0.02","719.5","0.3","292","","292","","","","","","","","","5","P -1","-P 1","2","","3N-benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3(2H)-thiazole","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C32 H30 N6 O2 S2 -","2","1","NA1049","Angelova, O.; Macíček, J.; Kalcheva, V.; Tosheva, M.","Structure of 3-benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3-dihydro-1,3-thiazole, C~16~H~15~N~3~OS","Acta Crystallographica Section C","1993","49","12","2167","2169","10.1107/S0108270193006079","","","0.71073","MoKα","","0.111","0.042","","0.042","0.04","","","","1.763","1.774","1.774","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016911","7.672","0.004","15.37","0.02","15.053","0.009","90","","90.54","0.05","90","","1775","3","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Br F N O2 -","- C18 H21 Br F N O2 -","- C72 H84 Br4 F4 N4 O8 -","4","2","NA1053","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (‒)-(<i>RS</i>)-α-[(benzylamino)methyl]-6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol hydrobromide","Acta Crystallographica Section C","1993","49","12","2157","2160","10.1107/S0108270193006699","","","0.71073","MoKα","","","0.0538","","","0.0424","","","","","1.55","1.55","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016912","7.2192","0.0014","8.3899","0.0017","11.191","0.002","74.81","0.03","84.38","0.03","74.77","0.03","630.9","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaquadi-μ-hydroxido-bis(μ-3-nitrophthalato)tricopper(II)] dihydrate]","","- C16 H24 Cu3 N2 O22 -","- C16 H24 Cu3 N2 O22 -","- C16 H24 Cu3 N2 O22 -","1","0.5","BG3085","Wang, Feng-Qin; Lu, Fan-Li; Wei, Bin; Zhao, Yong-Nan","Poly[[di-μ-aqua-tetraaquadi-μ-hydroxido-bis(μ~3~-3-nitrophthalato)tricopper(II)] dihydrate]","Acta Crystallographica Section C","2009","65","1","m42","m44","10.1107/S0108270108041504","","","0.71073","MoKα","","0.0489","0.0419","","","0.1052","0.108","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016913","7.6075","0.0013","22.281","0.004","9.8205","0.0016","90","","108.15","0.002","90","","1581.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-L-tyrosinato-diaquadicopper(II)]","","- C28 H32 Cu2 N6 O14 -","- C28 H32 Cu2 N6 O14 -","- C56 H64 Cu4 N12 O28 -","2","1","BG3088","Zhang, Shuo; Hu, Ning-Hai","Poly[[diaqua-μ-4,4'-bipyridine-dinitratodi-μ-<small>L</small>-tyrosinato-dicopper(II)]: a chiral two-dimensional coordination polymer","Acta Crystallographica Section C","2009","65","1","m7","m9","10.1107/S0108270108038985","","","0.71073","MoKα","","0.0574","0.0522","","","0.1339","0.1372","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016914","8.0458","0.0009","14.2074","0.0016","12.1692","0.0013","90","","90.261","0.002","90","","1391","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[hexaaquabis[μ~4~-3,5-bis(carboxylatomethoxy)benzoato]trizinc(II)]","","- C22 H26 O22 Zn3 -","- C22 H26 O22 Zn3 -","- C44 H52 O44 Zn6 -","2","0.5","DN3100","Cen, Zhong-Min; Li, Fa-Si; Ni, Qing-Ling; Wang, Xiu-Jian; Li, Bin","A double-layered zinc(II) coordination polymer with the ligand 3,5-bis(carboxylatomethoxy)benzoate","Acta Crystallographica Section C","2009","65","1","m17","m20","10.1107/S0108270108039802","","","0.71073","MoKα","","0.0382","0.0308","","","0.0815","0.0863","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016915","6.7115","0.0015","9.4207","0.0008","12.1863","0.0011","90","","100.942","0.002","90","","756.5","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis-O^2^-methylated dimethyl-1,6-hexanediamine diazeniumdiolate","1,1'-Dimethoxy-3,3'-dimethyl-2,2'-dioxido-3,3'-(hexane-1,6-diyl)ditriazene- 2,2'-diium","","- C10 H24 N6 O4 -","- C10 H24 N6 O4 -","- C20 H48 N12 O8 -","2","0.5","FA3166","Zhou, Zhengrong; Reynolds, Melissa M.; Kampf, Jeff W.; Meyerhoff, Mark E.","1,1'-Dimethoxy-3,3'-dimethyl-3,3'-(hexane-1,6-diyl)bis(triazen-2-ium-2-olate): a nitric oxide donor","Acta Crystallographica Section C","2009","65","1","o1","o2","10.1107/S0108270108038420","","","0.71073","MoKα","","0.0458","0.0358","","","0.1124","0.1178","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016916","8.3381","0.0004","8.6806","0.0003","8.8521","0.0005","68.4693","0.0017","78.8197","0.0017","81.035","0.004","582.17","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 3-carboxy-1-benzofuran-2-carboxylate","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.0663","0.0447","","","0.104","0.1157","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016917","8.1383","0.0002","9.9782","0.0003","11.3225","0.0002","107.505","0.0012","108.483","0.0014","99.4472","0.0009","796.68","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-carboxy-1-benzofuran-2-carboxylato-κO^3^)tetrakis(1H-imidazole- κN^3^)copper(II)","","- C32 H26 Cu N8 O10 -","- C32 H26 Cu N8 O10 -","- C32 H26 Cu N8 O10 -","1","0.5","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.042","0.0367","","","0.0928","0.0967","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016918","38.925","0.0016","8.6186","0.0003","28.443","0.0009","90","","90","","90","","9542","0.6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","heptaaquabis(3-carboxy-1-benzofuran-2-carboxylato-κ<i>O</i>^3^)lanthanum(IV) bis(hemihydrogen 3-carboxy-1-benzofuran-2-carboxylate) tetrahydrate","","- C40 H43 La O31 -","- C40 H34 La O27 -","- C320 H272 La8 O216 -","8","0.5","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.0665","0.049","","","0.1073","0.1141","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016919","9.0283","0.0002","9.6152","0.0002","10.1064","0.0003","93.1051","0.0014","113.844","0.0013","106.223","0.0014","756.41","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato- μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate]","","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","1","0.5","FG3070","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous cobalt(II) complexes: poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato-μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate] and the 1,2-di-4-pyridylethane analogue","Acta Crystallographica Section C","2009","65","1","m24","m27","10.1107/S0108270108041541","","","0.71073","MoKα","","0.0318","0.0298","","","0.0766","0.0782","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016920","9.0933","0.0004","9.5887","0.0005","10.0058","0.0005","92.2999","0.0007","111.97","0.0006","105.644","0.0007","769.33","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato- μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethane solvate]","","- C34 H32 Co N4 O10 -","- C34 H32 Co N4 O10 -","- C34 H32 Co N4 O10 -","1","0.5","FG3070","Atria, Ana María; Corsini, Gino; Talamilla, Arlyn; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous cobalt(II) complexes: poly[[diaqua-μ-2,5-dicarboxybenzene-1,4-dicarboxylato-μ-1,2-di-4-pyridylethene-cobalt(II)] 1,2-di-4-pyridylethene solvate] and the 1,2-di-4-pyridylethane analogue","Acta Crystallographica Section C","2009","65","1","m24","m27","10.1107/S0108270108041541","","","0.71073","MoKα","","0.0287","0.0282","","","0.0752","0.0758","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016921","25.44","0.004","16.333","0.003","21.916","0.004","90","","98.671","0.002","90","","9002","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[bis(μ~2~-perchlorato-κ^2^<i>O</i>:<i>O</i>')(2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')lead(II)]","","- C15 H11 Cl2 N3 O8 Pb -","- C15 H11 Cl2 N3 O8 Pb -","- C300 H220 Cl40 N60 O160 Pb20 -","20","2.5","FG3072","Blake, Alexander J.; Caltagirone, Claudia; Lippolis, Vito; Shamsipur, Mojtaba","A new polymorph of poly[bis(μ~2~-perchlorato-κ^2^<i>O</i>:<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')lead(II)] with a greatly extended chain repeat distance","Acta Crystallographica Section C","2009","65","1","m33","m36","10.1107/S0108270108042236","","","0.71073","MoKα","","0.0935","0.0448","","","0.0999","0.126","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016922","7.0414","0.0003","7.6933","0.0003","11.4621","0.0006","87.216","0.003","89.845","0.003","85.364","0.003","618.16","0.05","291","0.3","291","0.3","","","","","","","","5","P -1","-P 1","2","","2,3-Dihydro-1,3-benzothiazol-2-iminium hydrogen oxydiacetate","","- C11 H12 N2 O5 S -","- C11 H12 N2 O5 S -","- C22 H24 N4 O10 S2 -","2","1","GA3105","Trzesowska-Kruszynska, Agata; Kruszynski, Rafal","2,3-Dihydro-1,3-benzothiazol-2-iminium hydrogen oxydiacetate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","1","o19","o23","10.1107/S0108270108038365","","","0.71073","MoKα","","0.0464","0.0331","","","0.085","0.0905","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016923","13.6255","0.0002","16.0184","0.0003","26.2466","0.0005","101.744","0.0012","92.4786","0.0012","114.916","0.0008","5032.65","0.16","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate","","- C56 H58 N8 O8 -","- C56 H58 N8 O8 -","- C224 H232 N32 O32 -","4","2","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.1356","0.0632","","","0.1406","0.1691","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016924","12.8346","0.0002","13.6669","0.0002","15.32","0.0003","102.83","0.0006","90.2339","0.0006","104.355","0.0011","2533.39","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate monohydrate","","- C56 H60 N8 O9 -","- C56 H60 N8 O9 -","- C112 H120 N16 O18 -","2","1","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.077","0.0528","","","0.1355","0.1526","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016925","35.5243","0.0008","6.5265","0.0002","29.2172","0.0009","90","","102.271","0.001","90","","6619.2","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide hexasolvate dihydrate","","- C68 H88 N10 O12 -","- C68 H88 N10 O12 -","- C272 H352 N40 O48 -","4","0.5","GD3260","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water","Acta Crystallographica Section C","2009","65","1","o3","o7","10.1107/S0108270108040018","","","0.71073","MoKα","","0.1034","0.0688","","","0.1381","0.1542","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016926","10.5688","0.0017","12.1887","0.0019","12.6816","0.0015","90","","114.696","0.01","90","","1484.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","4-nitro-1-oxo-2-{(<i>E</i>)-[2-(piperidin-1- yl)ethyl]iminiomethyl}cyclohexadienide","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C56 H76 N12 O12 -","4","1","GD3261","Santos-Contreras, Rocio J.; Ramos-Organillo, Angel; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.","The zwitterion of 4-nitro-2-{(<i>E</i>)-[2-(piperidin-1-yl)ethyl]iminomethyl}phenol","Acta Crystallographica Section C","2009","65","1","o8","o10","10.1107/S0108270108040407","","","0.71073","MoKα","","0.0774","0.0659","","","0.1444","0.1506","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016927","29.924","0.002","29.928","0.002","33.233","0.003","90","","101.646","0.009","90","","29150","4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Di-<i>tert</i>-butylmethylphosphane)(η^2^-di-<i>tert</i>- butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)","","- C35 H54 P4 Pt -","- C35 H54 P4 Pt -","- C1120 H1728 P128 Pt32 -","32","4","GG3157","Konitz, Antoni; Krautscheid, Harald; Pikies, Jerzy","(Di-<i>tert</i>-butylmethylphosphane)(η^2^-di-<i>tert</i>-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)","Acta Crystallographica Section C","2009","65","1","m21","m23","10.1107/S0108270108037979","","","0.71069","MoKα","","0.0374","0.0262","","","0.065","0.0682","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016928","8.0903","0.0011","8.0903","0.0011","35.612","0.007","90","","90","","120","","2018.6","0.6","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","bis[μ~3~-1,3,5-triamino-trideoxy-<i>cis</i>-inositolato(3-)]-tri-bismuth(III) trichloride hexahydrate","","- C12 H36 Bi3 Cl3 N6 O12 -","- C12 H34.02 Bi3 Cl3 N6 O12 -","- C36 H102.06 Bi9 Cl9 N18 O36 -","3","0.166667","LN3118","Hegetschweiler, Kaspar; Stucky, Stefan; Morgenstern, Bernd; Neis, Christian; Weyhermüller, Thomas","Redetermination of bis[μ~3~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositolato(3‒)]tribismuth(III) trichloride hexahydrate","Acta Crystallographica Section C","2009","65","1","m1","m3","10.1107/S0108270108039772","","","0.71073","MoKα","","0.0209","0.0208","","","0.0487","0.0487","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016929","10.4704","0.0005","5.4606","0.0003","12.2847","0.0006","90","","106.107","0.003","90","","674.8","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-pyrazine-2,5-dicarboxylato)cadmium(II)]","","- C6 H2 Cd N2 O4 -","- C6 H2 Cd N2 O4 -","- C24 H8 Cd4 N8 O16 -","4","1","LN3119","Yang, Ping; Wu, Jian-Zhong","A three-dimensional pyrazine-2,5-dicarboxylate Cd^II^ coordination framework with new (4,4,4)-connected three-nodal topology","Acta Crystallographica Section C","2009","65","1","m4","m6","10.1107/S0108270108040080","","","0.71073","MoKα","","0.0307","0.0242","","","0.0514","0.0541","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016930","13.4134","0.0003","10.327","0.0003","22.1028","0.0006","90","","101.9","0.001","90","","2995.89","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquadiethanolmanganese(II)]-μ-1,4- bis(diphenylphosphinoyl)butane-κ^2^O:O'] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate]","","- C60 H72 Mn N2 O14 P4 -","- C60 H72 Mn N2 O14 P4 -","- C120 H144 Mn2 N4 O28 P8 -","2","0.5","SF3094","Lees, Anthony M. J.; Platt, Andrew W. G.","Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane","Acta Crystallographica Section C","2009","65","1","m10","m13","10.1107/S010827010804033X","","","0.71073","MoKα","","0.0608","0.0453","","","0.1051","0.1107","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016931","13.3646","0.0005","10.2517","0.0005","22.0744","0.0011","90","","101.92","0.003","90","","2959.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquadiethanolcobalt(II)]-μ-1,4- bis(diphenylphosphinoyl)butane-κ^2^O:O'] dinitrate 1,4-bis(diphenylphosphinoyl)butane solvate]","","- C60 H72 Co N2 O14 P4 -","- C60 H72 Co N2 O14 P4 -","- C120 H144 Co2 N4 O28 P8 -","2","0.5","SF3094","Lees, Anthony M. J.; Platt, Andrew W. G.","Manganese(II) and cobalt(II) complexes of 1,4-bis(diphenylphosphinoyl)butane","Acta Crystallographica Section C","2009","65","1","m10","m13","10.1107/S010827010804033X","","","0.71073","MoKα","","0.1071","0.0617","","","0.1201","0.1353","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016932","21.3204","0.0005","8.8456","0.0002","7.8155","0.0002","90","","97.969","0.001","90","","1459.71","0.06","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,12-dibromodibenzo[<i>d</i>,<i>i</i>]-1,2,3,6,7,8-hexahydro-1,3-dioxecin","8,16-dibromo-2,4-dioxatricyclo[12.4.0.0^5,10^]octadeca-5,7,9,14,16,18-hexaene","","- C16 H14 Br2 O2 -","- C16 H14 Br2 O2 -","- C64 H56 Br8 O8 -","4","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0364","0.0262","","","0.0528","0.0563","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016933","13.7971","0.0005","8.5744","0.0003","28.1906","0.001","90","","90","","90","","3335","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,12-dibromodibenzo[<i>f</i>,<i>k</i>]-1,5-dioxa-1,2,3,4,5,8,9,10- octahydrocyclododecene","7,19-dibromo-11,15-dioxatricyclo[14.4.0.0^5,10^]icosaa-5,7,9,16,18,20-hexaene","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C144 H144 Br16 O16 -","8","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0894","0.0396","","","0.08","0.0997","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016934","12.05","0.0011","7.038","0.0008","15.6547","0.0014","90","","112.559","0.011","90","","1226.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C36 H64 N16 O12 S4 -","4","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0851","0.0511","","","0.123","0.1429","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016935","9.6912","0.0002","8.3829","0.0002","30.1907","0.0008","90","","90","","90","","2452.7","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C72 H128 N32 O24 S8 -","8","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0693","0.034","","","0.0755","0.0868","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016936","11.1502","0.0008","8.7271","0.0008","13.7129","0.0013","90","","105.676","0.007","90","","1284.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine","","- C13 H13 Cl N4 O -","- C13 H13 Cl N4 O -","- C52 H52 Cl4 N16 O4 -","4","1","SK3279","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine are isostructural and form hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2009","65","1","o11","o14","10.1107/S0108270108040481","","","0.71073","MoKα","","0.0955","0.0507","","","0.1216","0.1548","","","","","","1.135","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016937","11.301","0.004","8.642","0.003","14.568","0.005","90","","111.13","0.03","90","","1327.1","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine,","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C52 H52 Cl4 N16 O8 -","4","1","SK3279","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine are isostructural and form hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2009","65","1","o11","o14","10.1107/S0108270108040481","","","0.71073","MoKα","","0.1079","0.0609","","","0.1217","0.1428","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016938","13.7194","0.0009","6.9464","0.0004","14.9703","0.0009","90","","107.148","0.002","90","","1363.26","0.15","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4- ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate","","- C27 H36 N2 O7 S -","- C27 H36 N2 O7 S -","- C54 H72 N4 O14 S2 -","2","1","SK3280","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-Diethyl 2-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-5-phenylpyrrolidine-3,4-dicarboxylate: a novel isomorphous-by-addition compound","Acta Crystallographica Section C","2009","65","1","o15","o18","10.1107/S0108270108040584","","","0.71073","MoKα","","0.0779","0.056","","","0.1384","0.152","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016939","9.127","0.0016","11.403","0.003","25.822","0.002","96.302","0.012","94.287","0.011","105.312","0.014","2561.2","0.9","122","2","122","2","","","","","","","","8","P -1","-P 1","2","bis(4'-(6-Acetylthiohexyloxy)-2,2:6',2''-terpyridine) manganese(II) hexafluorophosphate","Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate)","","- C46 H50 F12 Mn N6 O4 P2 S2 -","- C46 H50 F12 Mn N6 O4 P2 S2 -","- C92 H100 F24 Mn2 N12 O8 P4 S4 -","2","1","SQ3166","Moth-Poulsen, Kasper; Bendix, Jesper; Hammershøj, Peter; Bjørnholm, Thomas","Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate)","Acta Crystallographica Section C","2009","65","1","m14","m16","10.1107/S010827010804016X","","","0.71073","MoKα","","0.1009","0.068","","","0.1606","0.1848","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016940","7.3917","0.0012","16.369","0.003","6.4886","0.0008","90","","90","","90","","785.1","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","titanium(IV) tellurium(IV) trioxide difluoride","","- F2 O3 Te Ti -","- F2 O3 Te Ti -","- F16 O24 Te8 Ti8 -","8","1","SQ3173","Laval, Jean Paul; Jennene Boukharrata, Nefla","New vanadium(IV) and titanium(IV) oxyfluorotellurates(IV): V~2~Te~2~O~7~F~2~ and TiTeO~3~F~2~","Acta Crystallographica Section C","2009","65","1","i1","i6","10.1107/S0108270108036755","","","0.71073","MoKα","","0.0431","0.0322","","","0.0738","0.0784","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016941","4.882","0.002","5.112","0.002","7.243","0.003","108.17","0.03","91.64","0.02","92.63","0.02","171.39","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","divanadium(IV) ditellurium(IV) heptaoxide difluoride","","- F2 O7 Te2 V2 -","- F2 O7 Te2 V2 -","- F2 O7 Te2 V2 -","1","0.5","SQ3173","Laval, Jean Paul; Jennene Boukharrata, Nefla","New vanadium(IV) and titanium(IV) oxyfluorotellurates(IV): V~2~Te~2~O~7~F~2~ and TiTeO~3~F~2~","Acta Crystallographica Section C","2009","65","1","i1","i6","10.1107/S0108270108036755","","","0.71073","MoKα","","0.0173","0.0143","","","0.0283","0.0288","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016942","8.954","0.002","11.371","0.003","17.066","0.004","73.45","0.02","85.55","0.02","74.93","0.02","1608.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[bis{[tris(2-pyridylmethyl)amine]cobalt(II)}- μ~4~-7,7',8,8'-tetracyanoquinodimethanide(2-)] bis[7,7',8,8'-tetracyanoquinodimethanide(1-)] methanol disolvate]","","- C74 H56 Co2 N20 O2 -","- C74 H56 Co2 N20 O2 -","- C74 H56 Co2 N20 O2 -","1","0.5","SQ3174","Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.","Two transition metal coordination polymers of the 7,7,8,8-tetracyanoquinodimethane dianion (TCNQ^2{-^})","Acta Crystallographica Section C","2009","65","1","m28","m32","10.1107/S0108270108041152","","","0.71073","MoKα","","0.088","0.0466","","","0.0974","0.105","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016943","9.4197","0.001","18.2526","0.0018","17.004","0.0018","90","","105.275","0.009","90","","2820.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[[tris(2-pyridylmethyl)amine]iron(II)]-μ~2~- 7,7',8,8'-tetracyanoquinodimethanide(2-)] methanol solvate]","","- C31 H26 Fe N8 O -","- C31 H26 Fe N8 O -","- C124 H104 Fe4 N32 O4 -","4","1","SQ3174","Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.","Two transition metal coordination polymers of the 7,7,8,8-tetracyanoquinodimethane dianion (TCNQ^2{-^})","Acta Crystallographica Section C","2009","65","1","m28","m32","10.1107/S0108270108041152","","","0.71073","MoKα","","0.066","0.0374","","","0.081","0.0859","","","","","","0.84","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016944","5.7287","0.0007","27.517","0.004","11.9206","0.0017","90","","91.881","0.008","90","","1878.1","0.4","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1<i>RS</i>,3<i>RS</i>)-2,2-dimethyl-3- phenylcyclopropyl][(1<i>SR</i>,3<i>SR</i>)-2,2-dimethyl-3- phenylcyclopropyl]methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","2","BM3069","Edwards, Michael G.; Pugh, David S.; Whitwood, Adrian C.; Taylor, Richard J. K.","<i>gem</i>-Dimethylcyclopropanation of dibenzylideneacetone using triisopropyl sulfoxonium tetrafluoroborate","Acta Crystallographica Section C","2009","65","2","o39","o41","10.1107/S0108270108042431","","","0.71073","MoKα","","0.114","0.0865","","","0.163","0.186","","","","","","1.24","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016945","15.847","0.0002","22.2874","0.0003","22.5446","0.0003","90","","90","","90","","7962.49","0.18","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[[diaquacopper(II)]-di-μ-4,4'-bipyridyl] bis(3-carboxy-1-benzofuran-2-carboxylate) pentahydrate]","","- C40 H40 Cu N4 O17 -","- C40 H40 Cu N4 O17 -","- C320 H320 Cu8 N32 O136 -","8","1","DN3104","Koner, Rajesh; Goldberg, Israel","Square-grid coordination networks of diaquabis(4,4'-bipyridyl)copper(II) crosslinked by hydrogen bonds through two monoanions of 1-benzofuran-2,3-dicarboxylic acid and five molecules of water","Acta Crystallographica Section C","2009","65","2","m62","m65","10.1107/S0108270109000353","","","0.71073","MoKα","","0.105","0.065","","","0.1827","0.21","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016946","11.312","0.003","10.158","0.003","13.348","0.004","90","","108.004","0.005","90","","1458.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[(μ-pyrazine-2,3-dicarboxylato)(μ-3-carboxypyrazine-2- carboxylato)trisilver(I)]","","- C12 H5 Ag3 N4 O8 -","- C12 H5 Ag3 N4 O8 -","- C48 H20 Ag12 N16 O32 -","4","1","DN3105","Wu, Jian","An unprecedented three-dimensional silver(I) cluster built up from pyrazine-2,3-dicarboxylate ligands","Acta Crystallographica Section C","2009","65","2","m91","m93","10.1107/S0108270109000742","","","0.71073","MoKα","","0.0437","0.0323","","","0.078","0.0817","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016947","9.58016","0.00009","11.33329","0.00013","12.0754","0.00017","78.3429","0.0011","74.6559","0.0011","66.0748","0.001","1149.02","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate","","- C14 H48 Mn2 N2 O44 V10 -","- C14 H48 Mn2 N2 O44 V10 -","- C14 H48 Mn2 N2 O44 V10 -","1","0.5","EG3005","Klištincová, Lenka; Rakovský, Erik; Schwendt, Peter","Bis[2-(2-hydroxyethyl)pyridinium] μ-decavanadato-bis[pentaaquamanganate(II)] tetrahydrate","Acta Crystallographica Section C","2009","65","2","m97","m99","10.1107/S0108270109001917","","","0.7107","MoKα","","0.0214","0.0188","","","0.0546","0.0556","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016948","13.7359","0.0011","18.566","0.0016","21.1782","0.0018","90","","90","","90","","5400.9","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[chloridotris(ethylenediamine-κ^2^N,N')samarium(III) [indium(III)-di-μ-tellurido-indium(III)-di-μ-tellurido]]","","- C8 H32 Cl In2 N8 Sm Te4 -","- C8 H32 Cl In2 N8 Sm Te4 -","- C64 H256 Cl8 In16 N64 Sm8 Te32 -","8","1","EM3020","Li, Chun-Ying; Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Dai, Jie","{[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a one-dimensional sinusoidal chain","Acta Crystallographica Section C","2009","65","2","m100","m102","10.1107/S010827010803521X","","","0.71073","MoKα","","0.0654","0.0566","","","0.0985","0.1014","","","","","","1.293","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016949","8.251","0.001","8.251","0.001","22.949","0.003","90","","90","","120","","1353","0.3","296","0.5","296","0.5","","","","","","","","6","R -3 :H","-R 3","148","","poly[bis(dimethylammonium) [hexa-μ~2~-formato-κ^12^<i>O</i>:<i>O</i>'-aluminium(III)sodium(I)]]","","- C10 H22 Al N2 Na O12 -","- C10 H21.9998 Al N1.9998 Na O12 -","- C30 H65.9995 Al3 N5.9994 Na3 O36 -","3","0.166667","EM3021","Plutecka, Agnieszka; Rychlewska, Urszula","A three-dimensional Al^III^/Na^I^ metal‒organic framework resulting from dimethylformamide hydrolysis","Acta Crystallographica Section C","2009","65","2","m75","m77","10.1107/S0108270109000092","","","1.54178","CuKα","","0.0534","0.0338","","","0.0949","0.1044","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016950","16.546","0.003","13.124","0.003","31.942","0.006","90","","100.62","0.03","90","","6817","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,c-3-diphenyltetran-r-1-ol","1,c-3-diphenyl-1,2,3,4-tetrahydro-r-1-naphthol","","- C22 H20 O -","- C22 H20 O -","- C352 H320 O16 -","16","4","FA3170","Vega, Daniel R.; Mufato, Jorge D.; Aguirre, José M.; Drago, Eleonora V.; Lantaño, Beatríz","Tetrameric aggregate of 1,<i>c</i>-3-diphenyltetran-<i>r</i>-1-ol <i>via</i> an <i>R</i>~4~^4^(8) homodromic ring","Acta Crystallographica Section C","2009","65","2","o35","o38","10.1107/S0108270108043655","","","0.71073","MoKα","","0.3549","0.0634","","","0.1319","0.2021","","","","","","0.854","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016951","22.5926","0.0004","11.7646","0.0002","7.2025","0.0011","90","","92.221","0.002","90","","1912.9","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[triaquabis(μ~4~-4-carboxybenzenesulfonato- κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')strontium(II)]","","- C14 H16 O13 S2 Sr -","- C14 H16 O13 S2 Sr -","- C56 H64 O52 S8 Sr4 -","4","1","FA3171","Prochniak, G.; Videnova-Adrabinska, V.","Poly[triaqua(μ~4~-4-carboxybenzenesulfonato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(4-carboxybenzenesulfonato-κ<i>O</i>)strontium(II)]","Acta Crystallographica Section C","2009","65","2","m103","m106","10.1107/S0108270109001590","","","0.71073","MoKα","","0.0555","0.0298","","","0.0478","0.0501","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016952","4.2753","0.0005","9.6013","0.0009","21.614","0.002","90","","95.215","0.009","90","","883.55","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rubidium(I) 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","","- C8 H N4 O2 Rb -","- C8 H N4 O2 Rb -","- C32 H4 N16 O8 Rb4 -","4","1","FA3172","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Baranov, Andrey N.; Kaisarova, Tatiana V.; Aslanov, Leonid A.","Luminescence properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and alkaline metals (Na, K and Rb)","Acta Crystallographica Section C","2009","65","2","m52","m55","10.1107/S0108270108043783","","","1.54184","CuKα","","0.0303","0.0275","","","0.0702","0.0716","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016953","3.6549","0.0008","10.192","0.0012","14.8401","0.0016","108.849","0.012","94.079","0.012","91.58","0.02","521.09","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium(I) 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate dihydrate","","- C8 H5 N4 Na O4 -","- C8 H5 N4 Na O4 -","- C16 H10 N8 Na2 O8 -","2","1","FA3172","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Baranov, Andrey N.; Kaisarova, Tatiana V.; Aslanov, Leonid A.","Luminescence properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and alkaline metals (Na, K and Rb)","Acta Crystallographica Section C","2009","65","2","m52","m55","10.1107/S0108270108043783","","","1.54184","CuKα","","0.0807","0.0523","","","0.1266","0.1436","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016954","5.382","0.004","19.375","0.014","11.691","0.009","90","","96.771","0.009","90","","1210.6","1.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","poly[aqua(4,4'-bipyridine)[μ~3~-<i>S</i>-carboxylatomethyl-<i>N</i>- (<i>p</i>-tosyl)-L-cysteinato]manganese(II)]","","- C22 H23 Mn N3 O7 S2 -","- C22 H23 Mn N3 O7 S2 -","- C44 H46 Mn2 N6 O14 S4 -","2","1","FA3174","Xiong, Wei; Su, Yan; Chen, Zilu; Liang, Fupei","A three-dimensional homochiral metal‒organic framework constructed from manganese(II) with <i>S</i>-carboxymethyl-<i>N</i>-(<i>p</i>-tosyl)-<small>L</small>-cysteine and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","2","m56","m58","10.1107/S0108270108042637","","","0.71073","MoKα","","0.0726","0.0578","","","0.1531","0.1627","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016955","8.3184","0.0007","20.2887","0.0015","23.822","0.003","90","","90","","90","","4020.4","0.7","156","2","156","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG3075","Bats, Jan W.; Kretz, Tonia; Lerner, Hans-Wolfram","A polymorph of tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section C","2009","65","2","m94","m96","10.1107/S0108270109001139","","","0.71073","MoKα","","0.0636","0.0512","","","0.1365","0.1419","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016956","3.8738","0.0005","30.379","0.004","6.3055","0.0001","90","","93.001","0.001","90","","741.03","0.14","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[μ~3~-bromido-(pyridine-3-carboxylato-κN)copper(I)]","","- C6 H5 Br Cu N O2 -","- C6 H5 Br Cu N O2 -","- C24 H20 Br4 Cu4 N4 O8 -","4","1","FN3010","Yang, Ming-Hua","A novel three-dimensional copper(I) coordination polymer constructed from a copper‒bromide net and nicotinic acid ligands","Acta Crystallographica Section C","2009","65","2","m59","m61","10.1107/S0108270108043400","","","0.71073","MoKα","","0.0447","0.0336","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016957","6.9711","0.0014","8.0784","0.0016","11.903","0.002","102.68","0.03","99.68","0.03","96.32","0.03","637.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-1,4-bis(imidazol-1-yl)benzene](μ~2~-terephthalato)dizinc(II)]","","- C14 H9 N2 O4 Zn -","- C14 H9 N2 O4 Zn -","- C28 H18 N4 O8 Zn2 -","2","1","GA3114","Diao, Yun-Peng; Li, Kun; Huang, Shan-Shan; Shu, Xiao-Hong; Liu, Ke-Xin; Deng, Xu-Ming","A novel threefold-interpenetrating primitive cubic network based on a dinuclear Zn~2~ node","Acta Crystallographica Section C","2009","65","2","m82","m85","10.1107/S0108270109000559","","","0.71073","MoKα","","0.0533","0.0431","","","0.0984","0.1032","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016958","8.7128","0.001","17.8408","0.0017","21.227","0.002","67.879","0.001","79.839","0.002","84.962","0.001","3007.9","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[aquatripyridinecobalt(II)]-μ-tetrachloroterephthalato] pyridine solvate]","","- C28 H22 Cl4 Co N4 O5 -","- C28 H22 Cl4 Co N4 O5 -","- C112 H88 Cl16 Co4 N16 O20 -","4","2","GA3116","Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu","Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate","Acta Crystallographica Section C","2009","65","2","m86","m90","10.1107/S0108270109000869","","","0.71073","MoKα","","0.0705","0.0511","","","0.1053","0.1091","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016959","21.4257","0.0019","8.6567","0.0008","33.537","0.003","90","","90","","90","","6220.3","1","291","2","291","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","<i>catena</i>-poly[[[diaquadipyridinecobalt(II)]-μ-tetrachloroterephthalato] 1,4-dioxane trihydrate]","","- C22 H28 Cl4 Co N2 O11 -","- C22 H28 Cl4 Co N2 O11 -","- C176 H224 Cl32 Co8 N16 O88 -","8","1","GA3116","Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu","Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate","Acta Crystallographica Section C","2009","65","2","m86","m90","10.1107/S0108270109000869","","","0.71073","MoKα","","0.0667","0.0433","","","0.0735","0.077","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016960","8.23","0.002","10.927","0.002","11.633","0.003","103.9","0.02","106.62","0.03","96.94","0.02","952.7","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","<i>N</i>-[(1<i>R</i>)-1-(1-naphthyl)ethyl]-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-aminium 1,1-dioxide chloride","","- C20 H21 Cl N2 O2 S -","- C20 H21 Cl N2 O2 S -","- C40 H42 Cl2 N4 O4 S2 -","2","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71073","MoKα","","0.0526","0.0393","","","0.0881","0.0954","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016961","15.295","0.004","7.764","0.003","20.264","0.006","90","","100.48","0.02","90","","2366.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1<i>R</i>)-<i>N</i>-[(5,5-dioxo-6,7-dihydrodibenzo[<i>d</i>,<i>f</i>][1,2]\ thiazepin-7-yl)methyl]-1-(1-naphthyl)ethanaminium chloride","","- C26 H25 Cl N2 O2 S -","- C26 H25 Cl N2 O2 S -","- C104 H100 Cl4 N8 O8 S4 -","4","2","GD3257","Kiefer, Lionel; Dauban, Philippe; Dodd, Robert H.; Retailleau, Pascal","Two enantiomerically pure cyclic arenesulfonamide hydrochloride salts","Acta Crystallographica Section C","2009","65","2","o46","o50","10.1107/S010827010804287X","","","0.71069","MoKα","","0.0884","0.0489","","","0.101","0.1182","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016962","8.8808","0.0006","9.5502","0.0006","9.71","0.0006","102.266","0.001","101.733","0.001","94.334","0.001","781.83","0.09","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C17 H16 O8 -","- C17 H16 O8 -","- C34 H32 O16 -","2","1","GD3264","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Two modes of O—H···O hydrogen bonding utilized in dimorphs of racemic 6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2009","65","2","o54","o57","10.1107/S0108270109000225","","","0.71073","MoKα","","0.0594","0.0533","","","0.1451","0.1517","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016963","13.813","0.004","19.279","0.005","5.9801","0.0015","90","","96.665","0.004","90","","1581.7","0.7","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C17 H16 O8 -","- C17 H16 O8 -","- C68 H64 O32 -","4","2","GD3264","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Two modes of O—H···O hydrogen bonding utilized in dimorphs of racemic 6-<i>O</i>-acryloyl-2-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2009","65","2","o54","o57","10.1107/S0108270109000225","","","0.71073","MoKα","","0.0527","0.0481","","","0.1115","0.114","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016964","12.985","0.0003","9.3038","0.0002","15.6815","0.0003","90","","111.065","0.001","90","","1767.88","0.07","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(trimethoprim) DL-malate","Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] DL-malate","","- C32 H42 N8 O11 -","- C32 H42 N8 O11 -","- C64 H84 N16 O22 -","2","0.5","GD3265","Franklin, S.; Balasubramanian, T.; Varghese, Babu","Bis[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium] <small>DL</small>-malate","Acta Crystallographica Section C","2009","65","2","o62","o65","10.1107/S0108270109000237","","","0.71073","MoKα","","0.0502","0.045","","","0.1116","0.1146","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016965","15.601","0.001","11.869","0.0009","19.857","0.002","90","","112.139","0.004","90","","3405.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C168 H140 Cl4 Ni4 P8 -","4","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0494","0.0314","","","0.0681","0.0734","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016966","11.799","0.0005","23.368","0.002","25.13","0.0011","90","","90","","90","","6928.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C336 H280 Cl8 Ni8 P16 -","8","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0876","0.0415","","","0.0778","0.088","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016967","24.183","0.006","12.257","0.003","23.712","0.005","90","","113.781","0.008","90","","6432","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)‒ chloridobis(triphenylphosphine)nickel(I) (1/1)","","- C78 H65 Cl2 Ni2 P4 -","- C78 H65 Cl2 Ni2 P4 -","- C312 H260 Cl8 Ni8 P16 -","4","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0648","0.0379","","","0.0848","0.0926","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016968","8.8796","0.0002","13.2847","0.0003","14.1395","0.0003","99.82","0.001","100.701","0.001","105.095","0.001","1539.68","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","2-amino-4,6-dimethoxypyrimidinium picrate","2-amino-4,6-dimethoxypyrimidinium 2,4,6-trinitrophenolate","","- C12 H12 N6 O9 -","- C12 H12 N6 O9 -","- C48 H48 N24 O36 -","4","2","GZ3155","Thanigaimani, Kaliyaperumal; Subashini, Annamalai; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium picrate and pyrimethaminium picrate dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","2","o42","o45","10.1107/S0108270108044223","","","0.71073","MoKα","","0.0672","0.0522","","","0.1118","0.1214","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016969","9.3365","0.0003","11.1245","0.0003","13.1861","0.0006","83.779","0.003","86.057","0.003","65.784","0.003","1241.24","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","Pyrimethaminium picrate dimethyl sulfoxide solvate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4,6-trinitrophenolate dimethyl sulfoxide solvate","","- C20 H22 Cl N7 O8 S -","- C20 H22 Cl N7 O8 S -","- C40 H44 Cl2 N14 O16 S2 -","2","1","GZ3155","Thanigaimani, Kaliyaperumal; Subashini, Annamalai; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium picrate and pyrimethaminium picrate dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","2","o42","o45","10.1107/S0108270108044223","","","0.71073","MoKα","","0.1135","0.0538","","","0.1521","0.1715","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016970","8.7255","0.0008","8.9355","0.0009","10.6564","0.001","68.642","0.002","81.07","0.002","64.314","0.002","697.32","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Triphenylmethylamine","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","GZ3156","Khrustalev, Victor N.; Borisova, Irina V.; Zemlyansky, Nikolai N.; Antipin, M. Yu.","A new polymorph of triphenylmethylamine: the effect of hydrogen bonding","Acta Crystallographica Section C","2009","65","2","o31","o34","10.1107/S0108270108042911","","","0.71073","MoKα","","0.0614","0.051","","","0.1374","0.1461","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016971","13.8556","0.0002","5.38096","0.00007","10.92487","0.00014","90","","97.942","0.001","90","","806.707","0.019","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(acetato-κ^2^O,O')diaquazinc(II)","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","GZ3157","Lutz, Martin; Spek, Anthony L.","Directed anisotropy in bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquazinc(II) at 110 and 250K","Acta Crystallographica Section C","2009","65","2","m69","m74","10.1107/S0108270108043242","","","0.71073","MoKα","","0.0169","0.0164","","","0.0451","0.0454","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016972","14.2904","0.0005","5.34245","0.00011","10.9616","0.0002","90","","99.59","0.001","90","","825.18","0.04","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(acetato-κ^2^O,O')diaquazinc(II)","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","GZ3157","Lutz, Martin; Spek, Anthony L.","Directed anisotropy in bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquazinc(II) at 110 and 250K","Acta Crystallographica Section C","2009","65","2","m69","m74","10.1107/S0108270108043242","","","0.71073","MoKα","","0.0219","0.0201","","","0.0547","0.0561","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016973","18.331","0.0008","18.331","0.0008","15.5123","0.0014","90","","90","","90","","5212.5","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]chlorido(pyridine-κ<i>N</i>)palladium(II)","","- C13 H15 Cl N2 Pd -","- C13 H15 Cl N2 Pd -","- C208 H240 Cl16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0504","0.0376","","","0.0695","0.0728","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016974","18.5197","0.0009","18.5197","0.0009","15.7281","0.0016","90","","90","","90","","5394.4","0.7","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]bromido(pyridine-κ<i>N</i>)palladium(II)","","- C13 H15 Br N2 Pd -","- C13 H15 Br N2 Pd -","- C208 H240 Br16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.108","0.0695","","","0.1292","0.1411","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016975","18.5329","0.0013","18.5329","0.0013","18.071","0.003","90","","90","","90","","6206.8","1.2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)-5-bromophenyl- κ^2^<i>C</i>^1^,<i>N</i>]bromido(4-methylpyridine-κ<i>N</i>)palladium(II)","","- C14 H16 Br2 N2 Pd -","- C14 H16 Br2 N2 Pd -","- C224 H256 Br32 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0819","0.0422","","","0.0717","0.075","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016976","18.8243","0.0009","18.8243","0.0009","18.3193","0.0017","90","","90","","90","","6491.5","0.7","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","(<i>SP</i>-4-4)-[<i>rac</i>-2-(1-aminoethyl)-5-bromophenyl- κ^2^<i>C</i>^1^,<i>N</i>]iodido(4-methylpyridine-κ<i>N</i>)palladium(II)","","- C14 H16 Br I N2 Pd -","- C14 H16 Br I N2 Pd -","- C224 H256 Br16 I16 N32 Pd16 -","16","1","LG3003","Calmuschi-Cula, Beatrice; Kalf, Irmgard; Timofte, Claudia; Englert, Ulli","Robust packing in cyclopalladated primary amines: isomorphous crystal structures of four complexes with varying substitution patterns","Acta Crystallographica Section C","2009","65","2","m48","m51","10.1107/S0108270108043631","","","0.71073","MoKα","","0.0547","0.0318","","","0.0563","0.0592","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016977","12.9315","0.0003","7.1804","0.0002","15.2362","0.0005","90","","113.077","0.001","90","","1301.52","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-2-thiophenobarbital","5-ethyl-1-methyl-5-phenyl-2-thioxo-1,2-dihydropyrimidine- 4,6(3<i>H</i>,5<i>H</i>)-dione","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0637","0.0445","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016978","11.5609","0.0003","9.5538","0.0003","11.7268","0.0003","90","","101.521","0.002","90","","1269.13","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-4-thiophenobarbital","5-ethyl-1-methyl-5-phenyl-4-thioxo-3,4-dihydropyrimidine- 2,6(1<i>H</i>,5<i>H</i>)-dione","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.074","0.0504","","","0.1302","0.1452","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016979","6.96","0.0003","14.9407","0.0007","13.1556","0.001","90","","103.454","0.002","90","","1330.47","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-methyl-2,4-dithiophenobarbital","5-ethyl-1-methyl-5-phenyl-2,4-dithioxo-1,2,3,4-tetrahydropyrimidine- 6(5<i>H</i>)-one","","- C13 H14 N2 O S2 -","- C13 H14 N2 O S2 -","- C52 H56 N8 O4 S8 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0637","0.0462","","","0.1048","0.1142","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016980","13.8686","0.0002","7.2346","0.0004","14.9844","0.0005","90","","110.681","0.001","90","","1406.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-2,4,6-trithiophenobarbital","5-ethyl-1-methyl-5-phenyl-2,4,6(1<i>H</i>,3H,5<i>H</i>)-pyrimidinetrithione","","- C13 H14 N2 S3 -","- C13 H14 N2 S3 -","- C52 H56 N8 S12 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0665","0.0478","","","0.1068","0.116","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016981","13.7063","0.0005","7.2553","0.0002","12.6606","0.0004","90","","105.565","0.002","90","","1212.84","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylphenobarbital","5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-\ trione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LN3120","Janik, Alicja; Olech, Andrzej; Stasiewicz-Urban, Anna; Stadnicka, Katarzyna","The influence of sulfur substituents on the molecular geometry and packing of thio derivatives of <i>N</i>-methylphenobarbital","Acta Crystallographica Section C","2009","65","2","o70","o75","10.1107/S0108270108043060","","","0.71073","MoKα","","0.0634","0.0509","","","0.1344","0.143","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016982","14.2061","0.0002","13.444","0.0002","14.5341","0.0002","90","","90","","90","","2775.82","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","quinolin-6-ol","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","2","SK3283","Michta, Anna; Nowak, Maria; Kusz, Joachim","Quinolin-6-ol at 100K","Acta Crystallographica Section C","2009","65","2","o66","o69","10.1107/S010827010900047X","","","0.71073","MoKα","","0.0873","0.0439","","","0.0953","0.1017","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016983","9.468","0.004","12.339","0.005","17.817","0.008","90","","97.864","0.006","90","","2061.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>:<i>N</i>']\ (μ-cyclohexane-1,4-dicarboxylato-\ κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)] hemihydrate]","","- C18 H25 Cd N4 O4.5 -","- C18 H25 Cd N4 O4.5 -","- C72 H100 Cd4 N16 O18 -","4","1","SK3286","Zhou, Shi; Liu, Bo; Li, Chuan-Bi","Poly[[[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>:<i>N</i>'](μ-cyclohexane-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)] hemihydrate]: a parallel interpenetrating two-dimensional (4,4) network","Acta Crystallographica Section C","2009","65","2","m107","m109","10.1107/S0108270109002674","","","0.71073","MoKα","","0.0422","0.0343","","","0.0772","0.0808","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016984","4.6679","0.0002","15.5897","0.0006","15.769","0.0006","83.76","0.001","89.356","0.001","86.421","0.001","1138.49","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine","","- C22 H38 N4 O4 -","- C22 H38 N4 O4 -","- C44 H76 N8 O8 -","2","1","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0525","0.0442","","","0.1117","0.1159","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016985","4.7349","0.0001","15.6273","0.0003","19.7771","0.0003","87.282","0.002","88.549","0.002","87.069","0.002","1459.44","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine","","- C28 H50 N4 O4 -","- C28 H50 N4 O4 -","- C56 H100 N8 O8 -","2","1","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0741","0.0578","","","0.1613","0.1757","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016986","4.674","0.0001","25.7389","0.0008","8.9254","0.0003","90","","94.949","0.001","90","","1069.75","0.05","105","2","105","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","","- C20 H24 N6 O8 -","- C20 H24 N6 O8 -","- C40 H48 N12 O16 -","2","0.5","SK3288","Teng, Gary; Walczak, Christopher P.; Squattrito, Philip J.; Mohanty, Dillip K.; Scharer, William; Giolando, Mark R.; Kirschbaum, Kristin","4,6-Dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>'-di-<i>n</i>-undecylbenzene-1,3-diamine and <i>N</i>,<i>N</i>'-bis(2,4-dinitrophenyl)octane-1,8-diamine","Acta Crystallographica Section C","2009","65","2","o76","o80","10.1107/S0108270109001619","","","0.71073","MoKα","","0.0467","0.0441","","","0.1067","0.1085","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016987","7.2729","0.0017","20.34","0.005","13.608","0.003","90","","103.022","0.003","90","","1961.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[silver(I)-μ~3~-3-[4-(2-thienyl)-2<i>H</i>- cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile] perchlorate methanol solvate],","","- C19 H15 Ag Cl N3 O5 S -","- C19 H15 Ag Cl N3 O5 S -","- C76 H60 Ag4 Cl4 N12 O20 S4 -","4","1","SQ3178","Li, Xiao-Yan; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2<i>H</i>-cyclopenta[<i>d</i>]pyridazin-1-yl]benzonitrile","Acta Crystallographica Section C","2009","65","2","m45","m47","10.1107/S0108270108043643","","","0.71073","MoKα","","0.0811","0.0651","","","0.1684","0.1813","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016988","11.092","0.004","11.165","0.004","18.426","0.007","90","","92.699","0.006","90","","2279.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-3,3'-[1,3,4-thiadiazole-2,5- diyldi(thiomethylene)]dibenzoato}bis[(<i>N</i>,<i>N</i>- dimethylformamide)copper(II)]","","- C42 H38 Cu2 N6 O10 S6 -","- C42 H38 Cu2 N6 O10 S6 -","- C84 H76 Cu4 N12 O20 S12 -","2","0.5","SQ3180","Wang, Ping; Ma, Jian-Ping; Li, Xiao-Yan; Huang, Ru-Qi; Dong, Yu-Bin","Two bicyclic dinuclear complexes generated from 3,3'-[1,3,4-thiadiazole-2,5-diyldi(thiomethylene)]dibenzoic acid (<i>L</i>) and dimethylformamide (DMF): [Cu(<i>L</i>)(DMF)]~2~ and [Zn(<i>L</i>)(DMF)]~2~","Acta Crystallographica Section C","2009","65","2","m78","m81","10.1107/S0108270108043667","","","0.71073","MoKα","","0.108","0.0713","","","0.1672","0.1863","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016989","11.086","0.0013","11.2252","0.0013","18.44","0.002","90","","93.169","0.002","90","","2291.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-3,3'-[1,3,4-thiadiazole-2,5- diyldi(thiomethylene)]dibenzoato}bis[(<i>N</i>,<i>N</i>- dimethylformamide)zinc(II)]","","- C42 H38 N6 O10 S6 Zn2 -","- C42 H38 N6 O10 S6 Zn2 -","- C84 H76 N12 O20 S12 Zn4 -","2","0.5","SQ3180","Wang, Ping; Ma, Jian-Ping; Li, Xiao-Yan; Huang, Ru-Qi; Dong, Yu-Bin","Two bicyclic dinuclear complexes generated from 3,3'-[1,3,4-thiadiazole-2,5-diyldi(thiomethylene)]dibenzoic acid (<i>L</i>) and dimethylformamide (DMF): [Cu(<i>L</i>)(DMF)]~2~ and [Zn(<i>L</i>)(DMF)]~2~","Acta Crystallographica Section C","2009","65","2","m78","m81","10.1107/S0108270108043667","","","0.71073","MoKα","","0.0348","0.0315","","","0.0814","0.0835","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016990","5.977","0.003","8.052","0.004","13.091","0.006","101.516","0.006","96.291","0.006","96.612","0.006","607.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","poly[μ~2~-aqua-μ~2~-chlorido-{m~2~-4-[(1H-1,2,4-triazol-1- yl)methyl]benzoato}cadmium(II)]","","- C10 H10 Cd Cl N3 O3 -","- C10 H10 Cd Cl N3 O3 -","- C20 H20 Cd2 Cl2 N6 O6 -","2","1","SQ3183","Qin, Jie; Ma, Jian-Ping; Liu, Li-Li; Huang, Ru-Qi; Dong, Yu-Bin","A novel two-dimensional framework based on unprecedented cadmium(II) chains","Acta Crystallographica Section C","2009","65","2","m66","m68","10.1107/S0108270109000341","","","0.71073","MoKα","","0.0342","0.0329","","","0.104","0.1054","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016991","5.3777","0.0003","10.0563","0.0007","22.4243","0.0012","90","","90","","90","","1212.7","0.13","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-hydroxyquinolinium hydrogen maleate","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","SU3028","Franklin, S.; Balasubramanian, T.","Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns","Acta Crystallographica Section C","2009","65","2","o58","o61","10.1107/S0108270108044132","","","0.71073","MoKα","","0.0771","0.053","","","0.121","0.1337","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016992","7.3282","0.0003","7.4363","0.0003","11.568","0.0005","79.349","0.002","74.994","0.002","89.337","0.002","597.97","0.04","273","","273","","","","","","","","","4","P -1","-P 1","2","","8-hydroxyquinolinium hydrogen fumarate","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C26 H22 N2 O10 -","2","1","SU3028","Franklin, S.; Balasubramanian, T.","Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns","Acta Crystallographica Section C","2009","65","2","o58","o61","10.1107/S0108270108044132","","","0.71073","MoKα","","0.0756","0.0467","","","0.1275","0.1524","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016993","5.4296","0.0005","8.2995","0.0007","12.7083","0.0011","85.961","0.002","88.895","0.002","89.573","0.001","571.13","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bisimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate)","","- C20 H18 N4 O12 S2 -","- C20 H18 N4 O12 S2 -","- C20 H18 N4 O12 S2 -","1","0.5","TR3049","Zhou, Chun-Shan; Ding, Li-Li; Zhang, Hang; Cao, Min-Na; Meng, Xiang-Gao","Three-dimensional networks in the 1:2 organic salts 2,2'-biimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) and 2,2'-bibenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section C","2009","65","2","o51","o53","10.1107/S010827010804300X","","","0.71073","Mokα","","0.0701","0.0464","","","0.113","0.1459","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016994","25.0519","0.0009","7.3158","0.0003","17.0309","0.0006","90","","97.553","0.003","90","","3094.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-bisbenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","","- C28 H28 N4 O15 S2 -","- C28 H28 N4 O15 S2 -","- C112 H112 N16 O60 S8 -","4","0.5","TR3049","Zhou, Chun-Shan; Ding, Li-Li; Zhang, Hang; Cao, Min-Na; Meng, Xiang-Gao","Three-dimensional networks in the 1:2 organic salts 2,2'-biimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) and 2,2'-bibenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section C","2009","65","2","o51","o53","10.1107/S010827010804300X","","","0.71073","Mokα","","0.0483","0.0392","","","0.1099","0.1183","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016995","7.1577","0.001","7.1577","0.001","3.9166","0.0008","90","","90","","90","","200.66","0.06","293","2","293","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Scandium magnesium gallide","","- Ga2 Mg Sc2 -","- Ga2 Mg Sc2 -","- Ga4 Mg2 Sc4 -","2","0.125","BD3001","Sahlberg, Martin; Andersson, Yvonne","Sc~2~MgGa~2~ and Y~2~MgGa~2~","Acta Crystallographica Section C","2009","65","3","i7","i8","10.1107/S0108270109000766","","","0.71073","MoKα","","0.036","0.0279","","","0.0668","0.0689","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016996","6.9999","0.0003","9.3318","0.0004","14.2802","0.0012","85.341","0.011","84.805","0.011","75.127","0.009","896.22","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[(μ-3,5-di-3-pyridyl-1,2,4-triazole)tri-μ~3~-oxido-tetra-μ~2~-oxido- oxidodicobalt(II)dimolybdenum(VI)] monohydrate]","","- C12 H11 Co2 Mo2 N5 O9 -","- C12 H11 Co2 Mo2 N5 O9 -","- C24 H22 Co4 Mo4 N10 O18 -","2","1","BM3071","Zhai, Quan-Guo; Li, Shu-Ni; Hu, Man-Cheng; Jiang, Yu-Cheng","A three-dimensional hybrid framework based on novel [Co~4~Mo~4~] bimetallic oxide clusters with 3,5-bis(3-pyridyl)-1,2,4-triazole ligands","Acta Crystallographica Section C","2009","65","3","m128","m130","10.1107/S0108270109003813","","","0.71073","MoKα","","0.0492","0.0386","","","0.0886","0.0973","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016997","10.478","0.003","11.6064","0.0011","9.59","0.003","90","","103.06","0.02","90","","1136.1","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4'-cyanobiphenyl-4-yl) butanedioate","","- C30 H20 N2 O4 -","- C30 H20 N2 O4 -","- C60 H40 N4 O8 -","2","0.5","EG3008","Hori, Kayako; Kouno, Naomi","Two crystal forms of mesogenic bis(4'-cyanobiphenyl-4-yl) butanedioate","Acta Crystallographica Section C","2009","65","3","o108","o110","10.1107/S0108270109004041","","","1.54178","CuKα","","0.0484","0.0472","","","0.1271","0.1281","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016998","9.9235","0.0011","8.7879","0.001","13.4152","0.0017","90","","97.452","0.01","90","","1160","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4'-cyanobiphenyl-4-yl) butanedioate","","- C30 H20 N2 O4 -","- C30 H20 N2 O4 -","- C60 H40 N4 O8 -","2","0.5","EG3008","Hori, Kayako; Kouno, Naomi","Two crystal forms of mesogenic bis(4'-cyanobiphenyl-4-yl) butanedioate","Acta Crystallographica Section C","2009","65","3","o108","o110","10.1107/S0108270109004041","","","1.54178","CuKα","","0.04","0.0371","","","0.102","0.1046","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016999","19.1006","0.0014","19.1006","0.0014","7.2128","0.0004","90","","90","","90","","2631.5","0.3","298","2","298","2","","","","","","","","3","P 43","P 4cw","78","Lupeol","3β-lup-20(29)-en-3-ol","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","EM3022","Corrêa, Rodrigo S.; Coelho, Carla P.; dos Santos, Marcelo H.; Ellena, Javier; Doriguetto, Antônio C.","Lupeol","Acta Crystallographica Section C","2009","65","3","o97","o99","10.1107/S0108270109004910","","","0.71073","MoKα","","","0.0449","","","","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017000","21.7002","0.0011","7.7859","0.0005","19.645","0.0009","90","","97.77","0.004","90","","3288.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[deca-μ~2~-cyanido-dicyanidobis(μ~2~- ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]","","- C20 H32 Cd3 Co2 N20 -","- C20 H32 Cd3 Co2 N20 -","- C80 H128 Cd12 Co8 N80 -","4","0.5","FA3180","Sereda, Olha; Stoeckli-Evans, Helen","Poly[deca-μ~2~-cyanido-dicyanidobis(μ~2~-ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]: a two-dimensional coordination polymer","Acta Crystallographica Section C","2009","65","3","m118","m120","10.1107/S0108270109003709","","","0.71073","MoKα","","0.0208","0.0181","","","0.0429","0.0438","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017001","9.776","0.002","8.332","0.0017","10.003","0.002","90","","115.08","0.03","90","","738","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(diaminomethylene)thiouron-1-ium nitrate","","- C2 H7 N5 O3 S -","- C2 H7 N5 O3 S -","- C8 H28 N20 O12 S4 -","4","1","FG3078","Janczak, Jan; Perpétuo, Genivaldo Julio","Two-dimensional hydrogen-bonded networks in 1-(diaminomethylene)thiouron-1-ium nitrate and bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","Acta Crystallographica Section C","2009","65","3","o118","o120","10.1107/S0108270109006325","","","0.71073","MoKα","","0.0531","0.0324","","","0.0789","0.0867","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017002","7.6109","0.0012","7.8771","0.0014","12.758","0.002","72.7","0.016","72.961","0.015","85.842","0.014","698.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","","- C4 H17 N8 O4 P S2 -","- C4 H17 N8 O4 P S2 -","- C8 H34 N16 O8 P2 S4 -","2","1","FG3078","Janczak, Jan; Perpétuo, Genivaldo Julio","Two-dimensional hydrogen-bonded networks in 1-(diaminomethylene)thiouron-1-ium nitrate and bis[1-(diaminomethylene)thiouron-1-ium] phosphonate monohydrate","Acta Crystallographica Section C","2009","65","3","o118","o120","10.1107/S0108270109006325","","","0.71073","MoKα","","0.0965","0.0473","","","0.0795","0.0885","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017003","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lupulin D","15α-methoxydihydroclerodin","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","FG9000","Molins, Elies; Coll, Josep","Lupulin structures revisited","Acta Crystallographica Section C","2009","65","3","e11","e12","10.1107/S0108270108000309","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017004","25.43","0.007","7.769","0.002","8.656","0.002","90","","96.187","0.005","90","","1700.2","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","GD3269","Montani, Rosana S.; Garay, Raúl O.; Cukiernik, Fabio D.; Garland, Maria T.; Baggio, Ricardo","4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases","Acta Crystallographica Section C","2009","65","3","o81","o84","10.1107/S0108270109001991","","","0.71073","MoKα","","0.1058","0.0627","","","0.1649","0.191","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017005","6.9738","0.0004","9.4413","0.0004","10.89","0.0007","97.42","0.004","100.527","0.005","109.473","0.005","650.51","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","2-aminopyrimidinium hydrogen 4,5-dichlorophthalate","2-aminopyrimidininium 2-carboxy-4,5-dichlorobenzoate","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54184","CuKα","","0.0362","0.0331","","","0.0929","0.0946","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017006","11.4303","0.0003","13.7933","0.0003","9.2082","0.0002","90","","99.454","0.002","90","","1432.06","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nicotinamidium hydrogen 4,5-dichlorophthalate","3-(aminocarbonyl)pyridinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H10 Cl2 N2 O5 -","- C14 H10 Cl2 N2 O5 -","- C56 H40 Cl8 N8 O20 -","4","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54184","CuKα","","0.0448","0.035","","","0.0915","0.095","","","","","","0.956","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017007","11.9645","0.0004","26.1393","0.0006","9.3213","0.0003","90","","122.509","0.003","90","","2458.39","0.15","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","isonicotinamidinium hydrogen 4,5-dichlorophthalate methyl 4,5-dichlorophthalic acid adduct","4-(aminocarbonyl)pyridinium 2-carboxy-4,5-dichlorobenzoate‒ methyl 2-carboxy-4,5-dichlorobenzoate (1/1)","","- C23 H16 Cl4 N2 O9 -","- C23 H16 Cl4 N2 O9 -","- C92 H64 Cl16 N8 O36 -","4","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54178","CuKα","","0.0525","0.0464","","","0.123","0.128","","","","","","0.966","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017008","37.632","0.006","6.52","0.001","14.431","0.003","90","","109.82","0.01","90","","3331.1","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-hydroxyanilinium) selenate(VI) dihydrate","","- C12 H20 N2 O8 Se -","- C12 H20 N2 O8 Se -","- C96 H160 N16 O64 Se8 -","8","1","GD3275","Janczak, Jan; Perpétuo, Genivaldo Julio","A three-dimensional hydrogen-bonded network in bis(4-hydroxyanilinium) selenate(VI) dihydrate","Acta Crystallographica Section C","2009","65","3","o121","o122","10.1107/S0108270109005782","","","0.71073","MoKα","","0.0427","0.023","","","0.0445","0.0507","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017009","11.0295","0.0002","13.8207","0.0002","14.1529","0.0003","90","","90.2383","0.0007","90","","2157.38","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) 1,2-dichlorobenzene disolvate","","- C52 H32 Cl4 N8 Zn -","- C52 H32 Cl4 N8 Zn -","- C104 H64 Cl8 N16 Zn2 -","2","0.5","GD3276","Koner, Rajesh; Goldberg, Israel","Square-grid coordination networks of (5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) in its clathrate with two guest molecules of 1,2-dichlorobenzene: supramolecular isomerism of the porphyrin self-assembly","Acta Crystallographica Section C","2009","65","3","m139","m142","10.1107/S0108270109005691","","","0.71073","MoKα","","0.0627","0.0444","","","0.106","0.1163","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017010","10.3466","0.0013","7.488","0.003","13.227","0.009","90","","92.94","0.02","90","","1023.4","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0934","0.0526","","","0.0961","0.1118","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017011","10.5258","0.0013","7.4501","0.0013","13.251","0.002","90","","93.441","0.002","90","","1037.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-fluoro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H14 F N O -","- C12 H14 F N O -","- C48 H56 F4 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0784","0.0561","","","0.1017","0.1128","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017012","11.085","0.0007","7.4214","0.001","13.4588","0.0011","90","","94.721","0.008","90","","1103.45","0.19","120","1","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","GG3188","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","4-Hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine and its 7-fluoro and 7-chloro analogues are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2009","65","3","o92","o96","10.1107/S0108270109003370","","","0.71073","MoKα","","0.0931","0.0509","","","0.1136","0.1413","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017013","16.1168","0.0002","17.1119","0.0002","7.68115","0.00007","90","","90","","90","","2118.38","0.04","298","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","","- C7 H10 Ag I N2 -","- C7 H10 Ag I N2 -","- C56 H80 Ag8 I8 N16 -","8","1","GT3002","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Powder study of poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","Acta Crystallographica Section C","2009","65","3","m135","m138","10.1107/S0108270109004661","","","1.5406","CuKα1","","","","","","","","","","1.24","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017014","24.5935","0.0005","7.0351","0.0001","24.9875","0.0004","90","","105.116","0.0011","90","","4173.69","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C192 H240 N16 O24 -","8","2","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.0783","0.0419","","","0.0875","0.1021","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017015","6.5828","0.0002","12.3368","0.0005","26.4702","0.001","90","","90","","90","","2149.66","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H34 N2 O3 -","- C24 H34 N2 O3 -","- C96 H136 N8 O12 -","4","1","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.082","0.0458","","","0.1216","0.1435","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017016","9.5507","0.0019","12.598","0.003","17.582","0.004","71.6","0.03","82.32","0.03","68.39","0.03","1865.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(2,2'-bipyridine)-μ~4~-itaconato-di-μ~3~-itaconato-digadolinium(III)] tetrahydrate]","","- C35 H36 Gd2 N4 O16 -","- C35 H28 Gd2 N4 O16 -","- C70 H56 Gd4 N8 O32 -","2","1","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0914","0.0748","","","0.1928","0.2043","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017017","16.427","0.005","18.645","0.005","9.3","0.003","90","","94.949","0.006","90","","2837.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(2,2'-bipyridine)di-μ~3~-itaconato-μ~2~-itaconato- digadolinium(III)]","","- C25 H24 Gd2 N2 O14 -","- C25 H18 Gd2 N2 O14 -","- C100 H72 Gd8 N8 O56 -","4","0.5","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0791","0.0662","","","0.1381","0.1445","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017018","25.023","0.005","9.3994","0.0019","18.229","0.004","90","","114.13","0.03","90","","3912.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[bis(2,2'-bipyridine)-μ~4~-itaconato-di-μ~3~-itaconato-diholmium(III)] dihydrate]","","- C35 H32 Ho2 N4 O14 -","- C35 H24 Ho2 N4 O14 -","- C140 H96 Ho8 N16 O56 -","4","0.5","SK3282","Muñoz, Juan Carlos; Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine","Acta Crystallographica Section C","2009","65","3","m121","m127","10.1107/S0108270109002534","","","0.71073","MoKα","","0.0854","0.0788","","","0.2169","0.2232","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017019","10.9622","0.0001","11.133","0.0002","11.2876","0.0002","67.072","0.001","69.842","0.001","72.688","0.001","1169.57","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis[μ~3~-<i>cis</i>-<i>N</i>-(2-aminopropyl)-<i>N</i>'-(2- carboxylatophenyl)oxamidato(3-)]-1:2:4κ^7^<i>N</i>,<i>N</i>',<i>N</i>'', <i>O</i>:<i>O</i>',<i>O</i>"":<i>O</i>''';2:4:3κ^7^<i>O</i>''':<i>O</i>', <i>O</i>"":<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>-bis(2,2'-bipyridine)- 2κ^2^<i>N</i>,<i>N</i>';4κ^2^<i>N</i>,<i>N</i>'-dichlorido-1κCl,3κCl- tetracopper(II) dihydrate","","- C44 H44 Cl2 Cu4 N10 O10 -","- C44 H44 Cl2 Cu4 N10 O10 -","- C44 H44 Cl2 Cu4 N10 O10 -","1","0.5","SK3285","Gu, Yuan-Yuan; Li, Yan-Tuan; Wu, Zhi-Yong; Sun, Wei; Jiang, Man","Bis[μ~3~-<i>cis</i>-<i>N</i>-(2-aminopropyl)-<i>N</i>'-(2-carboxylatophenyl)oxamidato(3‒)]bis(2,2'-bipyridine)dichloridotetracopper(II) dihydrate","Acta Crystallographica Section C","2009","65","3","m115","m117","10.1107/S0108270109002571","","","0.71073","MoKα","","0.0498","0.0354","","","0.0884","0.0982","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017020","8.0386","0.0008","10.6862","0.0014","12.8856","0.0013","71.007","0.011","74.463","0.009","88.672","0.012","1005.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-anilino-4-methoxy-5-[(E)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C40 H44 N12 O8 S2 -","2","1","SK3294","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in the isomeric solvates 2-amino-6-anilino-4-methoxy-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate and 2-amino-6-[methyl(phenyl)amino]-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidin-4(3<i>H</i>)-one dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","3","o111","o114","10.1107/S0108270109004181","","","0.71073","MoKα","","0.1334","0.0569","","","0.1188","0.1544","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017021","10.2601","0.0008","10.4555","0.0006","11.4537","0.0014","113.23","0.007","112.295","0.008","96.709","0.008","992","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-amino-6-[methyl(phenyl)amino]-5-[(E)-4-nitrobenzylideneamino]pyrimidin- 4(3<i>H</i>)-one dimethyl sulfoxide solvate","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C40 H44 N12 O8 S2 -","2","1","SK3294","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in the isomeric solvates 2-amino-6-anilino-4-methoxy-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidine dimethyl sulfoxide solvate and 2-amino-6-[methyl(phenyl)amino]-5-[(<i>E</i>)-4-nitrobenzylideneamino]pyrimidin-4(3<i>H</i>)-one dimethyl sulfoxide solvate","Acta Crystallographica Section C","2009","65","3","o111","o114","10.1107/S0108270109004181","","","0.71073","MoKα","","0.1099","0.0566","","","0.1311","0.1609","","","","","","1.065","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2017022","14.03","0.002","19.121","0.003","4.624","0.0008","90","","90","","90","","1240.5","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole dihydrate","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","SQ3184","Qi, De-Qiang; Hou, Gui-Ge; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","A novel three-dimensional framework constructed by 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and infinite chains of hydrogen-bonded water molecules","Acta Crystallographica Section C","2009","65","3","o85","o87","10.1107/S0108270109001814","","","0.71073","MoKα","","0.0433","0.0354","","","0.0763","0.0791","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017023","7.6395","0.0019","10.591","0.002","12.122","0.002","90","","105.4","0.02","90","","945.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0)","","- C6 H5 Br Cr N2 O4 -","- C6 H5 Br Cr N2 O4 -","- C24 H20 Br4 Cr4 N8 O16 -","4","1","TR3052","Wang, Yu-Pin; Leu, Hsien-Li; Lin, Tso-Shen; Wang, Yu; Lee, Gene-Hsiang","<!?tlsb=-0.06pt>Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0) and (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","Acta Crystallographica Section C","2009","65","3","m131","m134","10.1107/S0108270109001851","","","0.71073","MoKα","","0.0724","0.033","","","0.0883","0.1","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017024","12.1936","0.0013","6.5027","0.0009","16.305","0.002","90","","95.731","0.01","90","","1286.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","","- C12 H9 Br Cr N2 O3 -","- C12 H9 Br Cr N2 O3 -","- C48 H36 Br4 Cr4 N8 O12 -","4","1","TR3052","Wang, Yu-Pin; Leu, Hsien-Li; Lin, Tso-Shen; Wang, Yu; Lee, Gene-Hsiang","<!?tlsb=-0.06pt>Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0) and (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)","Acta Crystallographica Section C","2009","65","3","m131","m134","10.1107/S0108270109001851","","","0.71073","MoKα","","0.0771","0.0374","","","0.1172","0.1297","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017025","17.549","0.003","7.0981","0.001","10.9242","0.0019","90","","90","","90","","1360.8","0.4","100","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole","1-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-3-iodo-5-nitro-1<i>H</i>-indole","","- C13 H13 I N2 O5 -","- C13 H13 I N2 O5 -","- C52 H52 I4 N8 O20 -","4","1","TR3054","Budow, Simone; Leonard, Peter; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The <i>N</i>^1^-(2'-deoxyribofuranoside) of 3-iodo-5-nitroindole: a universal nucleoside forming nitro‒iodo interactions","Acta Crystallographica Section C","2009","65","3","o100","o102","10.1107/S0108270109004673","","","0.71073","MoKα","","0.0191","0.0171","","","0.0334","0.0341","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017026","12.979","0.0008","18.0643","0.0011","14.1838","0.0008","90","","90.682","0.002","90","","3325.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^3^,<i>N</i>^6^,2,5,7-Pentaphenyl-2,5,7-triazabicyclo[2,2,1]heptane- 3,6-diamine xylene solvate","","- C42 H41 N5 -","- C42 H41 N5 -","- C168 H164 N20 -","4","1","UK3005","Taheri, Amir; Moosavi, Sayed Mojtaba","Anomeric effect for a 2,5,7-triazabicyclo[2.2.1]heptane derivative","Acta Crystallographica Section C","2009","65","3","o115","o117","10.1107/S0108270109004818","","","0.71073","MoKα","","0.0871","0.0473","","","0.1075","0.125","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017027","46.383","0.003","10.3975","0.0006","17.3531","0.0012","90","","104.133","0.004","90","","8115.5","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di-μ~3~-chlorido-di-μ~3~-hydroxido-tetrakis[(η^3^- allyl)dicarbonylmolybdenum(II)]‒9-fluorenone‒tetrahydrofuran (1/1/1)","","- C37 H38 Cl2 Mo4 O12 -","- C37 H38 Cl2 Mo4 O12 -","- C296 H304 Cl16 Mo32 O96 -","8","1","BG3094","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Mo~4~(η^3^-allyl)~4~Cl~2~(OH)~2~(CO)~8~: the first cubane-type Mo^2+^ organometallic complex with μ~3~-OH and μ~3~-Cl bridges","Acta Crystallographica Section C","2009","65","4","m168","m170","10.1107/S0108270109009512","","","0.71073","MoKα","","0.0852","0.0427","","","0.0704","0.0813","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017028","11.5921","0.0002","11.8471","0.0002","16.5666","0.0007","90","","90.084","0.001","90","","2275.13","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Manganese squarate hexahydrate","poly[[[hexaaquatrimanganese(II)]-tri-μ-squarato] monohydrate]","","- C12 H14 Mn3 O19 -","- C12 H12 Mn3 O18 -","- C48 H48 Mn12 O72 -","4","0.5","DN3102","Gavilan, Elisabeth; Audebrand, Nathalie","A monoclinic pseudopolymorph of manganese squarate dihydrate, Mn(μ-C~4~O~4~)(H~2~O)~2~, built from cubic units","Acta Crystallographica Section C","2009","65","4","m156","m159","10.1107/S0108270109004442","","","0.71073","MoKα","","0.0702","0.0377","","","0.0913","0.1015","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017029","5.1896","0.0002","12.1755","0.0004","23.6534","0.0008","90","","90","","90","","1494.56","0.09","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","175-25 no.1","(<i>R</i>~C~,<i>S</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0286","0.0273","","","0.0638","0.0648","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017030","5.4509","0.0003","12.0987","0.0006","22.2882","0.0011","90","","90","","90","","1469.88","0.13","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4-161 no.2","(<i>R</i>~C~<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0555","0.0412","","","0.0828","0.0891","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017031","6.9953","0.0005","7.9221","0.0007","12.514","0.0013","93.466","0.004","92.993","0.006","101.152","0.006","677.71","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,3-dimethyl-7-(4-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1272","0.0648","","","0.1614","0.1997","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017032","7.2314","0.0005","17.5834","0.0018","12.4864","0.0015","90","","97.782","0.008","90","","1573.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(biphenyl-4-yl)-1,3-dimethylpyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1569","0.0727","","","0.1797","0.2436","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017033","6.7658","0.0008","12.978","0.002","13.162","0.002","90","","90","","90","","1155.7","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-(4-fluorophenyl)-3-methylpyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H10 F N3 O2 -","- C14 H10 F N3 O2 -","- C56 H40 F4 N12 O8 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1472","0.0641","","","0.1266","0.1552","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017034","6.6312","0.0011","6.8121","0.0015","27.653","0.007","90","","90","","90","","1249.2","0.5","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.0729","0.0566","","","0.1363","0.1472","","","","","","1.141","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017035","15.663","0.005","4.4319","0.0014","18.221","0.004","90","","124.517","0.018","90","","1042.2","0.6","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2,2'-biimidazol-1-ium malonate","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C36 H40 N16 O16 -","4","1","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0471","0.0408","","","0.1185","0.1223","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017036","4.906","0.003","13.887","0.008","8.468","0.005","90","","94.839","0.008","90","","574.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(1<i>H</i>-imidazole) succinic acid","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","0.5","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0557","0.0455","","","0.112","0.1174","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017037","5.3095","0.0013","22.941","0.006","5.7023","0.0014","90","","107.93","0.003","90","","660.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,2'-biimidazol-1-ium 2,2'-iminiodiacetate chloride","","- C10 H14 Cl N5 O4 -","- C10 H14 Cl N5 O4 -","- C20 H28 Cl2 N10 O8 -","2","0.5","FG3076","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","The crucial role of C—H···O and C=O···π interactions in the building of three-dimensional structures of dicarboxylic acid‒biimidazole compounds","Acta Crystallographica Section C","2009","65","4","o123","o127","10.1107/S0108270109005836","","","0.71073","MoKα","","0.0698","0.0639","","","0.1739","0.1803","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017038","7.6772","0.0011","7.7591","0.0011","9.9774","0.0014","100.718","0.003","107.473","0.003","91.827","0.003","554.58","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-[(<i>E</i>)-(2-fluorophenyl)aminomethylene]-3-oxobutanoate","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C24 H24 F2 N2 O6 -","2","1","FG3082","Langer, Vratislav; Mach, Pavel; Smrčok, Ľubomír; Milata, Viktor","(<i>E</i>)-Methyl 2-[(2-fluorophenyl)aminomethylene]-3-oxobutanoate: X-ray and density functional theory (DFT) study","Acta Crystallographica Section C","2009","65","4","o183","o185","10.1107/S0108270109009391","","","0.71073","MoKα","","0.0898","0.0495","","","0.1318","0.1549","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017039","19.368","0.015","5.88","0.004","21.894","0.016","90","","95.602","0.009","90","","2481","3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,4,6,8-tetrakis(4-chlorophenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane","1,3,4,6-tetrakis(4-chlorophenyl)octahydroimidazo[4,5-<i>d</i>]imidazole","","- C28 H22 Cl4 N4 -","- C28 H22 Cl4 N4 -","- C112 H88 Cl16 N16 -","4","0.5","FN3008","Zhang, Zhenfeng; Wang, Jiange; Zhang, Guisheng; Li, Jianpin","Inter-ring and <i>endo</i> anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives","Acta Crystallographica Section C","2009","65","4","o146","o150","10.1107/S0108270109003242","","","0.71073","MoKα","","0.0451","0.0346","","","0.1199","0.1328","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017040","9.889","0.004","11.996","0.005","12.312","0.005","89.495","0.005","74.381","0.005","82.332","0.005","1393.5","1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","2,4,6,8-tetrakis(4-methoxyphenyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane","1,3,4,6-tetrakis(4-methoxyphenyl)octahydroimidazo[4,5-<i>d</i>]imidazole","","- C32 H34 N4 O4 -","- C32 H34 N4 O4 -","- C64 H68 N8 O8 -","2","1","FN3008","Zhang, Zhenfeng; Wang, Jiange; Zhang, Guisheng; Li, Jianpin","Inter-ring and <i>endo</i> anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives","Acta Crystallographica Section C","2009","65","4","o146","o150","10.1107/S0108270109003242","","","0.71073","MoKα","","0.0529","0.0405","","","0.1007","0.1108","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017041","11.872","0.003","9.63","0.002","28.441","0.007","90","","71.932","0.004","90","","3091.2","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol‒ 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3- hydroxycyclohexa-2,4-dien-1-one (1/1)","","- C34 H38 N6 O4 -","- C34 H38 N6 O4 -","- C136 H152 N24 O16 -","4","1","FN3012","Wu, Zhen-Hua; Ma, Jian-Ping; Wu, Xiang-Wen; Huang, Ru-Qi; Dong, Yu-Bin","Cocrystallization of two tautomers: 4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol and 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one (1/1)","Acta Crystallographica Section C","2009","65","4","o128","o130","10.1107/S0108270109006696","","","0.71073","MoKα","","0.0931","0.0518","","","0.1179","0.1367","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017042","8.735","0.0017","10.832","0.002","18.769","0.004","90","","90","","90","","1775.9","0.6","298.15","","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium dititanium difluoride dioxide heptaoxidodisilicate","","- Ba2 F2 O9 Si2 Ti2 -","- Ba2 F2 O9 Si2 Ti2 -","- Ba16 F16 O72 Si16 Ti16 -","8","1","FN3013","Mann, Matthew; Kolis, Joseph","Ba~2~Ti~2~Si~2~O~9~F~2~, a new titanium silicate","Acta Crystallographica Section C","2009","65","4","i17","i19","10.1107/S0108270109007677","","","0.71073","MoKα","","0.0271","0.026","","","0.0577","0.0582","","","","","","1.408","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017043","10.6392","0.0006","11.6737","0.0005","18.203","0.0012","77.961","0.005","89.549","0.005","76.432","0.005","2147.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate","[4-(6-chloro-2-methoxyacridin-10-ium-9-ylamino)pentyl]diethylammonium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate","","- C39 H46 Cl5 N3 O13 -","- C39 H46 Cl5 N3 O13 -","- C78 H92 Cl10 N6 O26 -","2","1","GA3117","Smith, Graham; Wermuth, Urs D.; Sagatys, Dalius S.","Unusual hydrate stabilization in the two-dimensional layered structure of quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate, a proton-transfer compound of the drug quinacrine","Acta Crystallographica Section C","2009","65","4","o131","o133","10.1107/S0108270109006702","","","0.71073","MoKα","","0.1217","0.0779","","","0.1774","0.1947","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017044","21.1117","0.0008","21.1117","0.0008","20.3244","0.0009","90","","90","","120","","7845","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","<i>tert</i>-butyl 2-(1-hydroxyethyl)-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C306 H360 N36 O108 -","18","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0473","0.0386","","","0.0936","0.098","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017045","9.1439","0.0007","20.7113","0.0018","21.598","0.002","90","","90","","90","","4090.3","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-butyl 2-[1-hydroxy-3-(methoxycarbonyl)propyl]-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C20 H24 N2 O8 -","- C20 H24 N2 O8 -","- C160 H192 N16 O64 -","8","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0729","0.0439","","","0.0993","0.1097","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017046","8.834","0.0009","9.075","0.0009","10.7283","0.001","104.176","0.007","113.759","0.007","101.367","0.008","719.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-butyl 2-(4-bromo-1-hydroxybutyl)-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C13 H20 Br N O4 -","- C13 H20 Br N O4 -","- C26 H40 Br2 N2 O8 -","2","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0304","0.027","","","0.0647","0.0662","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017047","4.2946","0.0005","13.8755","0.0016","14.2541","0.0019","90","","90","","90","","849.4","0.18","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Dibromophenyl)formamide","","- C7 H5 Br2 N O -","- C7 H5 Br2 N O -","- C28 H20 Br8 N4 O4 -","4","1","GD3278","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","<i>N</i>-(2,6-Dibromophenyl)formamide","Acta Crystallographica Section C","2009","65","4","o160","o162","10.1107/S010827010900780X","","","0.71073","MoKα","","","0.0269","","","","0.0595","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017048","9.0255","0.0007","25.5628","0.0019","12.6422","0.0009","90","","102.751","0.001","90","","2844.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κO)(pyrazino[2,3- <i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)(μ~3~-ethylene- 4,4'-dibenzoato-κ^5^O,O':O':O'',O''')lead(II)]","","- C33 H25 N5 O5 Pb -","- C33 H25 N5 O5 Pb -","- C132 H100 N20 O20 Pb4 -","4","1","GG3189","Qiao, Qian; Wu, Guo-Qiang; Tang, Tian-Di; Ng, Seik Weng","Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-4,4'-ethylenedibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''')(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)lead(II)]","Acta Crystallographica Section C","2009","65","4","m146","m148","10.1107/S0108270109005253","","","0.71073","MoKα","","0.0549","0.0385","","","0.0828","0.0886","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017049","14.9247","0.0007","19.0706","0.0009","20.8432","0.001","90","","90","","90","","5932.5","0.5","100","2","100","2","","","","","","","","6","I b c a","-I 2b 2c","73","","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9- yl)propyl]amine-κP}platinum(II)","","- C26 H52 Cl2 N2 P2 Pt -","- C26 H52 Cl2 N2 P2 Pt -","- C208 H416 Cl16 N16 P16 Pt8 -","8","0.5","GG3190","Bungu, Peter N.; Otto, Stefanus","<i>cis</i>-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9-yl)propyl]amine-κ<i>P</i>}platinum(II)","Acta Crystallographica Section C","2009","65","4","m152","m155","10.1107/S0108270109005162","","","0.71073","MoKα","","0.0568","0.029","","","0.0606","0.0725","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017050","6.7203","0.0016","9.286","0.002","21.972","0.005","90","","90","","90","","1371.2","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3:4,6-di-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0504","0.037","","","0.0895","0.0978","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017051","6.7321","0.0003","9.1945","0.0005","17.0658","0.0009","90","","90","","90","","1056.34","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0369","0.0309","","","0.0789","0.0822","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017052","9.1139","0.0002","8.3883","0.0002","13.6994","0.0004","90","","100.969","0.001","90","","1028.19","0.04","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[tetraaquadi-μ-2-hydroxypropanedioato-μ-oxalato-dilanthanum(III)] tetrahydrate]","","- C4 H20 La2 O22 -","- C8 H20 La2 O22 -","- C16 H40 La4 O44 -","2","0.5","GT3003","Koner, Rajesh; Goldberg, Israel","Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands","Acta Crystallographica Section C","2009","65","4","m160","m164","10.1107/S0108270109008798","","","0.71073","MoKα","","0.055","0.0371","","","0.0892","0.0984","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017053","12.1763","0.0002","13.3596","0.0002","27.2064","0.0006","90","","90","","90","","4425.68","0.14","110","2","110","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","poly[[tetra-μ-2-acetato-tetraaqua-μ-oxalato-dilanthanum(III)] dihydrate]","","- C10 H24 La2 O18 -","- C10 H24 La2 O18 -","- C80 H192 La16 O144 -","8","0.25","GT3003","Koner, Rajesh; Goldberg, Israel","Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands","Acta Crystallographica Section C","2009","65","4","m160","m164","10.1107/S0108270109008798","","","0.71073","MoKα","","0.0369","0.028","","","0.0628","0.0664","","","","","","1.379","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017054","15.108","0.005","12.609","0.004","7.523","0.002","90","","93.962","0.004","90","","1429.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone","","- C16 H15 N O S2 -","- C16 H15 N O S2 -","- C64 H60 N4 O4 S8 -","4","1","GZ3158","Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","Acta Crystallographica Section C","2009","65","4","o155","o159","10.1107/S0108270109008336","","","0.71073","MoKα","","0.072","0.0488","","","0.1095","0.1213","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017055","23.222","0.003","5.884","0.0007","23.994","0.003","90","","90","","90","","3278.5","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","","- C16 H13 Br2 N O S2 -","- C16 H13 Br2 N O S2 -","- C128 H104 Br16 N8 O8 S16 -","8","2","GZ3158","Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","Acta Crystallographica Section C","2009","65","4","o155","o159","10.1107/S0108270109008336","","","0.71073","MoKα","","0.0916","0.0544","","","0.1115","0.1219","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017056","5.5823","0.0002","5.6194","0.0002","7.9045","0.0003","90","","90","0.009","90","","247.958","0.016","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum Niobium Nickelate","Lanthanum nickel niobium trioxide","","- La Nb0.33 Ni0.67 O3 -","- La Nb0.33 Ni0.67 O3 -","- La4 Nb1.32 Ni2.68 O12 -","4","1","LG3004","Tolchard, Julian R.; Fontaine, Marie-Laure; Grande, Tor","La(Ni~2/3~Nb~1/3~)O~3~ by neutron powder diffraction","Acta Crystallographica Section C","2009","65","4","i11","i13","10.1107/S0108270108042467","","neutron","","neutron","","","","","","","","","","1.26","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017057","4.7961","0.0002","6.3747","0.0003","6.5643","0.0005","84.651","0.002","69.49","0.003","72.011","0.004","178.759","0.018","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","nickel(II) divanadium(V) ditellurium(IV) decaoxide","","- Ni O10 Te2 V2 -","- Ni O10 Te2 V2 -","- Ni O10 Te2 V2 -","1","0.5","LG3009","Zhang, Dong; Johnsson, Mats","Nickel vanadium tellurium oxide, NiV~2~Te~2~O~10~","Acta Crystallographica Section C","2009","65","4","i9","i10","10.1107/S0108270109006817","","","0.71073","MoKα","","0.0262","0.0257","","","0.0707","0.0709","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017058","12.377","0.002","12.446","0.002","19.979","0.003","90","","104.812","0.003","90","","2975.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene","","- C32 H27.91 N11.73 O4.09 -","- C32 H27.909 N11.727 O4.091 -","- C128 H111.636 N46.908 O16.364 -","4","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.0839","0.0597","","","0.1529","0.1677","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017059","19.28","0.003","21.358","0.004","27.67","0.005","90","","90","","90","","11394","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)- 26,28-bis(2-pyridylmethoxy)calix[4]arene","","- C60 H68 Cl2 N2 O6 -","- C60 H68 Cl2 N2 O6 -","- C480 H544 Cl16 N16 O48 -","8","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.1148","0.0654","","","0.1637","0.1921","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017060","16.635","0.003","9.814","0.002","19.495","0.004","90","","109.32","0.03","90","","3003.4","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[acetonetetraaqua[μ~6~-ethyl (dichloromethylene)diphosphonato][μ~5~-ethyl (dichloromethylene)diphosphonato]tribarium(II)]","","- C9 H24 Ba3 Cl4 O17 P4 -","- C9 H24 Ba3 Cl4 O17 P4 -","- C36 H96 Ba12 Cl16 O68 P16 -","4","1","LN3125","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko; Ahlgrén, Markku","Poly[(acetone)tetraaqua[μ~6~-ethyl (dichloromethylene)diphosphonato][μ~5~-ethyl (dichloromethylene)diphosphonato]tribarium(II)]","Acta Crystallographica Section C","2009","65","4","m165","m167","10.1107/S0108270109010166","","","0.71073","MoKα","","0.0326","0.0293","","","0.0789","0.0807","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017061","7.8444","0.0003","9.8146","0.0004","10.0871","0.0004","90","","92.103","0.003","90","","776.08","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4- epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C40 H32 Br2 N2 O2 -","2","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0577","0.046","","","0.0951","0.1019","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017062","9.7758","0.0016","9.8211","0.0014","33.174","0.003","90","","90","","90","","3185","0.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C160 H120 Br8 Cl8 N8 O8 -","8","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0751","0.0424","","","0.0772","0.0877","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017063","11.3036","0.0004","12.7585","0.0005","11.173","0.0003","90","","109.137","0.002","90","","1522.29","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2RS,4SR)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4- epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H16 F N O -","- C20 H16 F N O -","- C80 H64 F4 N4 O4 -","4","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0855","0.061","","","0.1108","0.123","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017064","9.1011","0.0002","13.1771","0.0002","13.7172","0.0003","67.3835","0.0009","81.1791","0.0009","84.8788","0.001","1499.76","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","poly[bis[diaqualanthanum(III)]tris(μ-1-benzofuran-2,3-dicarboxylato)]","","- C30 H20 La2 O19 -","- C30 H20 La2 O19 -","- C60 H40 La4 O38 -","2","1","SK3297","Koner, Rajesh; Goldberg, Israel","A unique two-dimensional coordination network of 1-benzofuran-2,3-dicarboxylate with lanthanum(III) obtained by solvothermal synthesis","Acta Crystallographica Section C","2009","65","4","m149","m151","10.1107/S0108270109007161","","","0.71073","MoKα","","0.0622","0.0409","","","0.0902","0.1011","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017065","9.131","0.002","13.759","0.003","14.264","0.003","103.733","0.003","96.928","0.003","98.459","0.003","1699.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","2","SK3306","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid and the corresponding methyl ester","Acta Crystallographica Section C","2009","65","4","o163","o166","10.1107/S010827010900941X","","","0.71073","MoKα","","0.0601","0.0426","","","0.1053","0.1148","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017066","22.174","0.005","5.1352","0.0011","31.884","0.007","90","","101.126","0.002","90","","3562.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionate","","- C20 H19 Cl N2 O3 -","- C20 H19 Cl N2 O3 -","- C160 H152 Cl8 N16 O24 -","8","1","SK3306","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]propionic acid and the corresponding methyl ester","Acta Crystallographica Section C","2009","65","4","o163","o166","10.1107/S010827010900941X","","","0.71073","MoKα","","0.0399","0.0337","","","0.0831","0.0872","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017067","7.502","0.0002","10.8274","0.0003","32.3927","0.0009","90","","90","","90","","2631.17","0.12","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetraaquabis(<i>D</i>-camphor-10-sulfonato)calcium(II)","","- C20 H38 Ca O12 S2 -","- C20 H38 Ca O12 S2 -","- C80 H152 Ca4 O48 S8 -","4","0.5","SQ3182","Jeremić, Dejan; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Brčeski, Ilija; Andelković, Katarina K.","Tetraaquabis(<small>D</small>-camphor-10-sulfonato)calcium(II)","Acta Crystallographica Section C","2009","65","4","m143","m145","10.1107/S0108270109004193","","","0.71073","MoKα","","0.0371","0.0319","","","0.0642","0.0653","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017068","8.1004","0.00001","8.1004","0.00001","10.60052","0.00001","90","","90","","120","","602.38","0.0012","298","","298","","","","","","","","","4","P 63 c m","P 6c -2","185","","lithium barium silicate","","- Ba Li2 O4 Si -","- Ba Li2 O4 Si -","- Ba6 Li12 O24 Si6 -","6","0.5","SQ3185","Kim, Jinyoung; Ahn, Docheon; Kulshreshtha, Chandramouli; Sohn, Kee-Sun; Shin, Namsoo","Lithium barium silicate, Li~2~BaSiO~4~, from synchrotron powder data","Acta Crystallographica Section C","2009","65","4","i14","i16","10.1107/S0108270109006118","","","1.5496","synchrotron","","","","","","","","","","1.7","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017069","15.1088","0.0011","8.9454","0.0005","15.93","0.0013","90","","100.131","0.008","90","","2119.4","0.3","180","2","180","2","101","2","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-Dinitrodurene","1,2,4,5-tetramethyl-3,6-dinitrobenzene","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","SQ3188","Galicia Aguilar, José Alberto; Bernès, Sylvain","Dimorphic forms of 3,6-dinitrodurene in a single space group","Acta Crystallographica Section C","2009","65","4","o176","o178","10.1107/S0108270109008439","","","0.71073","MoKα","","0.0695","0.0472","","","0.1203","0.1297","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017070","8.9592","0.0019","15.313","0.003","16.136","0.004","90","","101.3","0.013","90","","2170.8","0.8","298","1","298","1","101","2","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-Dinitrodurene","1,2,4,5-tetramethyl-3,6-dinitrobenzene","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","SQ3188","Galicia Aguilar, José Alberto; Bernès, Sylvain","Dimorphic forms of 3,6-dinitrodurene in a single space group","Acta Crystallographica Section C","2009","65","4","o176","o178","10.1107/S0108270109008439","","","0.71073","MoKα","","0.095","0.0508","","","0.1295","0.1521","","","","","","1.063","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017071","12.3336","0.0001","7.4124","0.0001","18.2476","0.0001","90","","101.93","0.001","90","","1632.19","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3bR,5aR,9aR,9bR)-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-7(3bH)-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0304","0.0274","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017072","9.5317","0.0001","7.8958","0.0001","11.6742","0.0001","90","","101.734","0.001","90","","860.244","0.016","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3b<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>R</i>,9a<i>R</i>,9b<i>R</i>)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-8(4<i>H</i>)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0452","0.0448","","","0.1184","0.1186","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017073","6.1411","0.0001","12.7415","0.0003","21.6714","0.0005","90","","90","","90","","1695.72","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3b<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>S</i>,9a<i>R</i>,9b<i>R</i>)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-8(4<i>H</i>)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0608","0.0561","","","0.1515","0.1552","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017074","8.825","0.002","8.408","0.002","4.669","0.001","90","","90","","90","","346.44","0.14","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Aluminium oxyfluoride","","- Al F O -","- Al F O -","- Al12 F12 O12 -","12","1.5","SQ3190","Vasiliev, Alexander D.; Melnikova, Svetlana V.; Isaenko, Lyudmila I.","Orthorhombic aluminium oxyfluoride, AlOF","Acta Crystallographica Section C","2009","65","4","i20","i22","10.1107/S0108270109010671","","","0.71073","MoKα","","0.044","0.0308","","","0.071","0.0775","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017075","14.027","0.0008","19.6354","0.001","26.2445","0.0012","90","","90","","90","","7228.4","0.6","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxycucurbit-5(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.0825","0.052","","","0.1369","0.1471","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017076","9.0958","0.0009","14.851","0.0016","25.526","0.002","90","","90","","90","","3448.1","0.6","190","1","190","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxy-5α-cucurbit-1(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1284","0.0545","","","0.0709","0.0782","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017077","14.48","0.0012","19.8818","0.0013","26.882","0.002","90","","90","","90","","7739","1","295","2","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1851","0.0953","","","0.247","0.2757","","","","","","1.005","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017078","9.0756","0.0007","14.9566","0.0017","26.008","0.002","90","","90","","90","","3530.3","0.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1128","0.0509","","","0.1129","0.1263","","","","","","0.89","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017079","7.8505","0.0001","7.8505","0.0001","18.1513","0.0005","90","","90","","90","","1118.67","0.04","110","2","110","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)]","","- C12 H10 Cu N2 O4 -","- C12 H10 Cu N2 O4 -","- C48 H40 Cu4 N8 O16 -","4","0.5","BM3078","Koner, Rajesh; Goldberg, Israel","The coordination polymers poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)] and <i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ-1,2-di-4-pyridylethane] dihydrate]","Acta Crystallographica Section C","2009","65","5","m185","m189","10.1107/S0108270109011299","","","0.71073","MoKα","","0.0401","0.0368","","","0.0941","0.0962","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017080","13.3333","0.0003","15.125","0.0003","11.9108","0.0002","90","","110.982","0.0007","90","","2242.73","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ- 1,2-di-4-pyridylethane] dihydrate]","","- C22 H24 Cu N2 O9 -","- C22 H24 Cu N2 O9 -","- C88 H96 Cu4 N8 O36 -","4","1","BM3078","Koner, Rajesh; Goldberg, Israel","The coordination polymers poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)] and <i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ-1,2-di-4-pyridylethane] dihydrate]","Acta Crystallographica Section C","2009","65","5","m185","m189","10.1107/S0108270109011299","","","0.71073","MoKα","","0.0757","0.0495","","","0.126","0.1409","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017081","7.9908","0.0005","9.8312","0.0006","10.0569","0.0006","64.296","0.001","77.915","0.001","67.998","0.001","659","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3,5-triazine-2,4,6-triamine-κ<i>N</i>^1^)silver(I) nitrate","","- C6 H12 Ag N13 O3 -","- C6 H12 Ag N13 O3 -","- C12 H24 Ag2 N26 O6 -","2","1","DN3109","Massoud, Al-shima'a A.; Langer, Vratislav","Bis(1,3,5-triazine-2,4,6-triamine-κ<i>N</i>^1^)silver(I) nitrate","Acta Crystallographica Section C","2009","65","5","m198","m200","10.1107/S0108270109013110","","","0.71073","MoKα","","0.038","0.0285","","","0.0679","0.0713","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017082","5.5071","0.0011","11.094","0.002","19.438","0.004","90","","90","","90","","1187.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-trihydro(isopropoxy)borato]sodium(I)]","","- C3 H10 B Na O -","- C3 H10 B Na O -","- C24 H80 B8 Na8 O8 -","8","1","DN3110","Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.","The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride","Acta Crystallographica Section C","2009","65","5","m180","m181","10.1107/S010827010901172X","","","1.54178","CuKα","","0.0788","0.0703","","","0.1851","0.1938","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017083","9.2393","0.0009","14.3799","0.0013","7.5145","0.0005","90","","107.069","0.002","90","","954.4","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis(diazidomethyl)benzene","","- C10 H6 N24 -","- C10 H6 N24 -","- C20 H12 N48 -","2","0.5","DN3112","Wieland, Marcel; Su, Kuan-Jen; Wagner, Gerald; Brinker, Udo H.; Arion, Vladimir B.","1,2,4,5-Tetrakis(diazidomethyl)benzene","Acta Crystallographica Section C","2009","65","5","o240","o242","10.1107/S0108270109013894","","","0.71073","MoKα","","0.0703","0.0439","","","0.0998","0.1098","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017084","12.398","0.002","10.1902","0.0019","23.773","0.005","90","","90","","90","","3003.4","1","193","2","193","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","","- C24 H38 I2 N2 O2 S2 -","- C24 H38 I2 N2 O2 S2 -","- C96 H152 I8 N8 O8 S8 -","4","0.5","EG3006","Zhang, Zheng; Tang, Xiao-Yan; Lang, Jian-Ping; Chen, Jin-Xiang","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","Acta Crystallographica Section C","2009","65","5","o211","o213","10.1107/S010827010901066X","","","0.7107","MoKα","","0.059","0.0562","","","0.0978","0.099","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017085","16.728","0.002","11.449","0.002","23.649","0.003","90","","99.69","0.03","90","","4464.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-2,4,6-tribromoisophthalic acid","","- C8 H4 Br3 N O4 -","- C8 H4 Br3 N O4 -","- C128 H64 Br48 N16 O64 -","16","4","EG3012","Beck, Tobias; Herbst-Irmer, Regine; Sheldrick, George M.","5-Amino-2,4,6-tribromoisophthalic acid: the MAD triangle for experimental phasing","Acta Crystallographica Section C","2009","65","5","o237","o239","10.1107/S0108270109013195","","","1.54178","CuKα","","0.0276","0.0258","","","0.0631","0.0641","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017086","9.7614","0.0014","10.0379","0.0014","12.3947","0.0017","89.49","0.002","84.81","0.002","65.989","0.002","1104.3","0.3","292","2","292","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0819","0.0577","","","0.1691","0.1908","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017087","9.8546","0.0018","10.0864","0.0019","12.539","0.002","89.469","0.004","85.207","0.004","65.578","0.003","1130.4","0.3","393","2","393","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.125","0.059","","","0.1726","0.2196","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017088","10.8028","0.0018","14.798","0.003","15.926","0.003","63.692","0.002","72.394","0.003","73.2","0.003","2139.2","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0644","0.0494","","","0.1283","0.139","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017089","10.7955","0.0017","14.726","0.002","15.887","0.003","63.491","0.002","72.4","0.002","73.011","0.002","2117.4","0.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Binaphtholbiscarbonate","1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","FG3073","Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.","Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)","Acta Crystallographica Section C","2009","65","5","o222","o225","10.1107/S0108270109007331","","","0.71073","MoKα","","0.0569","0.0475","","","0.1085","0.1135","","","","","","1.092","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017090","8.863","0.004","9.14","0.004","10.148","0.006","65.7","0.04","79.43","0.05","64.03","0.03","673.6","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4,5-dibromo-2-hexyloxyphenol","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C24 H32 Br4 O4 -","2","1","FG3087","Cukiernik, Fabio D.; Cecchi, Florencia; Baggio, Ricardo","Comparison of halogen bonding and van der Waals and π‒π interactions in 4,5-dibromo-2-hexyloxyphenol","Acta Crystallographica Section C","2009","65","5","o233","o236","10.1107/S0108270109013286","","","0.71073","MoKα","","0.0983","0.063","","","0.1614","0.1827","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017091","8.3835","0.0017","20.229","0.004","14.101","0.003","90","","92.989","0.003","90","","2388.1","0.8","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatris(μ~3~-2,2-dimethylmalonato)dilanthanum(III)] monohydrate]","","- C15 H28 La2 O17 -","- C15 H28 La2 O17 -","- C60 H112 La8 O68 -","4","1","GA3119","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[tetraaquatris(μ~3~-2,2-dimethylmalonato)dilanthanum(III)] monohydrate]","Acta Crystallographica Section C","2009","65","5","m195","m197","10.1107/S0108270109012931","","","0.71073","MoKα","","0.048","0.0354","","","0.0794","0.0877","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017092","8.324","0.001","6.3744","0.0008","11.0384","0.0013","90","","95.898","0.002","90","","582.6","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(2,4,6-trifluoromethyl)phenylphosphinic acid","","- C9 H4 F9 O2 P -","- C9 H4 F9 O2 P -","- C18 H8 F18 O4 P2 -","2","1","GD3280","Cornet, Stéphanie M.; Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Thompson, Amber L.","Hydrogen bonding and short contacts in [2,4,6-tris(trifluoromethyl)phenyl]phosphinic acid","Acta Crystallographica Section C","2009","65","5","o195","o197","10.1107/S0108270109010415","","","0.71073","MoKα","","0.0705","0.0512","","","0.1009","0.1072","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017093","8.199","0.003","12.203","0.004","14.158","0.004","100.78","0.03","93.87","0.03","104.5","0.03","1337.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(diaminomethylene)thiouron-1-ium hydrogen difluoride","","- C2 H8 F2 N4 S -","- C2 H8 F2 N4 S -","- C16 H64 F16 N32 S8 -","8","4","GD3281","Hołyńska, Małgorzata; Kubiak, Maria","Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid","Acta Crystallographica Section C","2009","65","5","o191","o194","10.1107/S0108270109010919","","","0.71073","MoKα","","0.0952","0.056","","","0.1132","0.1286","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017094","6.537","0.003","7.39","0.003","7.884","0.004","83.65","0.03","83.44","0.03","66.15","0.03","345.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] hexafluoridosilicate","","- C4 H14 F6 N8 S2 Si -","- C4 H14 F6 N8 S2 Si -","- C4 H14 F6 N8 S2 Si -","1","0.5","GD3281","Hołyńska, Małgorzata; Kubiak, Maria","Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid","Acta Crystallographica Section C","2009","65","5","o191","o194","10.1107/S0108270109010919","","","0.71073","MoKα","","0.0332","0.026","","","0.0685","0.0712","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017095","5.6227","0.0014","14.884","0.004","6.7419","0.0017","90","","103.557","0.004","90","","548.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Dimethyldipyrazinium bis(tetrafluoroborate)","","- C6 H10 B2 F8 N2 -","- C6 H10 B2 F8 N2 -","- C12 H20 B4 F16 N4 -","2","0.5","GG3186","Lu, Jianjiang; Jalilov, Almaz S.; Kochi, Jay K.","<i>N</i>,<i>N</i>'-Dimethylpyrazinediium bis(tetrafluoroborate) and <i>N</i>,<i>N</i>'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion‒π triads","Acta Crystallographica Section C","2009","65","5","o226","o228","10.1107/S0108270109005277","","","0.71073","MoKα","","0.0567","0.0477","","","0.1234","0.1314","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017096","9.324","0.003","6.2281","0.0017","11.987","0.004","90","","102.346","0.007","90","","680","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diethyldipyrazinium bis(tetrafluoroborate)","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C16 H28 B4 F16 N4 -","2","0.5","GG3186","Lu, Jianjiang; Jalilov, Almaz S.; Kochi, Jay K.","<i>N</i>,<i>N</i>'-Dimethylpyrazinediium bis(tetrafluoroborate) and <i>N</i>,<i>N</i>'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion‒π triads","Acta Crystallographica Section C","2009","65","5","o226","o228","10.1107/S0108270109005277","","","0.71073","MoKα","","0.1007","0.0618","","","0.1446","0.1673","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017097","11.931","0.002","12.157","0.002","6.2921","0.0013","90","","90","","90","","912.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diphenyldipyridinezinc(II)","","- C22 H20 N2 Zn -","- C22 H20 N2 Zn -","- C44 H40 N4 Zn2 -","2","0.5","GG3194","Lennartson, Anders; Håkansson, Mikael","Diphenyldipyridinezinc(II): partial spontaneous resolution of an organometallic reagent","Acta Crystallographica Section C","2009","65","5","m205","m207","10.1107/S0108270109014127","","","0.71073","MoKα","","0.0179","0.0172","","","0.0453","0.0455","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017098","10.6056","0.0005","10.9946","0.0011","12.677","0.0011","69.78","0.013","76.523","0.005","64.484","0.007","1245.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-{[4-Amino-6-methoxy-2-(methylsulfanyl)pyrimidin-5-yl]amino}-1,2'- biindenylidene-1',3'-dione dimethyl sulfoxide solvate","","- C26 H24 N4 O4 S2 -","- C26 H24 N4 O4 S2 -","- C52 H48 N8 O8 S4 -","2","1","GG3196","Orozco, Fabián; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3-{[4-Amino-6-methoxy-2-(methylsulfanyl)pyrimidin-5-yl]amino}-1,2'-biindenylidene-1',3'-dione dimethyl sulfoxide solvate: π-stacked sheets of hydrogen-bonded chains of edge-fused rings","Acta Crystallographica Section C","2009","65","5","o229","o232","10.1107/S0108270109011251","","","0.71073","MoKα","","0.1412","0.0683","","","0.1095","0.1317","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017099","9.3287","0.0019","13.1352","0.001","16.2814","0.0019","87.815","0.01","74.095","0.01","89.987","0.016","1917.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,tetrahydropyrimidin-1-ide 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C15 H23 N9 O6 -","- C15 H23 N9 O6 -","- C60 H92 N36 O24 -","4","2","GG3200","Orozco, Fabián; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","The 2:1 salt-type adduct formed between 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione and piperidine: sheets containing 20 independent hydrogen bonds","Acta Crystallographica Section C","2009","65","5","o257","o260","10.1107/S0108270109014279","","","0.71073","MoKα","","0.2202","0.0688","","","0.1484","0.2163","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017100","5.6664","0.0002","9.0149","0.0004","9.7749","0.0005","109.349","0.004","102.282","0.003","100.119","0.003","443.62","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","DL-Cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","GZ3159","Minkov, Vasily S.; Boldyreva, Elena V.","<small>DL</small>-Cysteinium semioxalate","Acta Crystallographica Section C","2009","65","5","o245","o247","10.1107/S010827010901350X","","","0.71073","MoKα","","0.044","0.0347","","","0.0974","0.101","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017101","5.1733","0.0003","13.1797","0.0007","16.1108","0.0009","90","","90","","90","","1098.48","0.11","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","Lithium zinc(II) pyrophosphate","dilithium(I) trizinc(II) bis[diphosphate(4-)]","","- Li2 O14 P4 Zn3 -","- Li2 O14 P4 Zn3 -","- Li8 O56 P16 Zn12 -","4","0.5","LG3007","Ji, Lina; Ma, Hongwei; Liang, Jingkui","Lithium zincopyrophosphate, Li~2~Zn~3~(P~2~O~7~)~2~","Acta Crystallographica Section C","2009","65","5","i30","i32","10.1107/S0108270109011457","","","0.71073","MoKα","","0.0248","0.0226","","","0.0619","0.0629","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017102","5.8416","0.0015","5.8416","0.0015","14.604","0.005","90","","90","","120","","431.6","0.2","298.15","","298.15","0.02","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Potassium scandium niobate hydroxide","","- H1.75 K3 Nb2.13 O9 Sc0.88 -","- H1.74 K3 Nb2.13 O9 Sc0.88 -","- H3.48 K6 Nb4.26 O18 Sc1.76 -","2","0.0833333","LG3008","Mann, Matthew; Kolis, Joseph; VanDerveer, Don","K~3~(Sc~0.875~Nb~0.125~)Nb~2~O~9~H~1.75~: a new scandium niobate with a unique cage structure","Acta Crystallographica Section C","2009","65","5","i27","i29","10.1107/S0108270109009421","","","0.71073","MoKα","","0.0289","0.0275","","","0.0792","0.081","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017103","4.3758","0.0004","17.1354","0.0015","11.1188","0.001","90","","96.558","0.002","90","","828.24","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","adeninium hemioxalate chloride","adeninium hemioxalate chloride","","- C12 H14 Cl2 N10 O4 -","- C12 H14 Cl2 N10 O4 -","- C24 H28 Cl4 N20 O8 -","2","0.5","LN3126","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate","Acta Crystallographica Section C","2009","65","5","o202","o206","10.1107/S0108270109011780","","","0.71073","MoKα","","0.0312","0.0306","","","0.0898","0.0904","","","","","","1.087","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017104","3.6222","0.0003","28.131","0.003","11.1101","0.001","90","","98.696","0.002","90","","1119.06","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Adeninium oxalate hemioxalic acid hydrate","adeninium oxalate hemi(oxalic acid) monohydrate","","- C8 H10 N5 O7 -","- C8 H10 N5 O7 -","- C32 H40 N20 O28 -","4","1","LN3126","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate","Acta Crystallographica Section C","2009","65","5","o202","o206","10.1107/S0108270109011780","","","0.71073","MoKα","","0.0391","0.0374","","","0.1015","0.1028","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2017105","11.548","0.004","8.479","0.002","37.184","0.01","90","","90","","90","","3640.9","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(morpholine)[<i>N</i>'-(5-nitro-2-oxidobenzylidene)benzohydrazidato]nickel(II)","","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","- C144 H144 N32 Ni8 O48 -","8","1","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0548","0.0375","","","0.0805","0.0881","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017106","17.004","0.005","11.13","0.004","18.59","0.005","90","","90","","90","","3518.2","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ-<i>N</i>'-(5-nitro-2- oxidobenzylidene)benzohydrazidato]bis[(morpholine)zinc(II)","","- C36 H38 N6 O8 Zn2 -","- C36 H38 N6 O8 Zn2 -","- C144 H152 N24 O32 Zn8 -","4","0.5","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0886","0.0491","","","0.1275","0.1377","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017107","14.7703","0.0007","15.5535","0.0008","21.6991","0.0011","77.533","0.003","79.815","0.003","70.941","0.003","4569.9","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","holas13","μ-carbonato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''- bis{[2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenyl)heptane-2,5- diiminate(1-)-κ^2^<i>N</i>,<i>N</i>']iron(II)} toluene disolvate","","- C97 H146 Fe2 N4 O3 -","- C97.003 H146.007 Fe2 N4 O3 -","- C194.006 H292.014 Fe4 N8 O6 -","2","1","MX3010","Sadique, Azwana R.; Brennessel, William W.; Holland, Patrick L.","A diketiminate-bound diiron complex with a bridging carbonate ligand","Acta Crystallographica Section C","2009","65","5","m174","m176","10.1107/S0108270109011275","","","0.71073","MoKα","","0.0662","0.042","","","0.0952","0.1054","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017108","6.2621","0.0009","10.6826","0.0007","16.4111","0.0006","92.214","0.005","94.35","0.005","98.257","0.007","1081.95","0.18","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-bis(ethane-1,2-diamine)(oxamato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III) bis(trifluoromethanesulfonate) dihydrate","","- C8 H22 Co F6 N5 O11 S2 -","- C8 H22 Co F6 N5 O11 S2 -","- C16 H44 Co2 F12 N10 O22 S4 -","2","1","MX3011","Hammershøi, Anders; Magnussen, Magnus","Linkage isomeric oxamate chelates: <i>rac</i>-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","5","m201","m204","10.1107/S0108270109013122","","","0.71073","MoKα","","0.0525","0.0347","","","0.0716","0.0794","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017109","6.6398","0.0004","11.6663","0.0008","9.2846","0.001","90","","96.517","0.011","90","","714.56","0.1","122","1","122","1","","","","","","","","7","P 1 21 1","P 2yb","4","","Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2-)- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) trifluoromethanesulfonate","","- C7 H17 Co F3 N5 O6 S -","- C7 H17 Co F3 N5 O6 S -","- C14 H34 Co2 F6 N10 O12 S2 -","2","1","MX3011","Hammershøi, Anders; Magnussen, Magnus","Linkage isomeric oxamate chelates: <i>rac</i>-bis(ethane-1,2-diamine)oxamatocobalt(III) bis(trifluoromethanesulfonate) dihydrate and Λ(+)~578~-bis(ethane-1,2-diamine)[oxamato(2{-})]cobalt(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","5","m201","m204","10.1107/S0108270109013122","","","0.71073","MoKα","","0.0212","0.0194","","","0.0459","0.0469","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017110","12.9908","0.0017","18.311","0.003","10.9171","0.0014","90","","103.099","0.002","90","","2529.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')tris(methanol- 2κ<i>O</i>)(nitrato-2κ^2^<i>O</i>,<i>O</i>')-μ-cyanido- 1:2<i>C</i>:<i>N</i>-cyanido-1κ<i>C</i>-iron(II)neodymium(III)]-di-μ-cyanido- 1:2'<i>C</i>:<i>N</i>;2:1'<i>N</i>:<i>C</i>] methanol solvate]","","- C18 H24 Fe N7 Nd O7 -","- C18 H24 Fe N7 Nd O7 -","- C72 H96 Fe4 N28 Nd4 O28 -","4","1","SF3099","Xu, Yan; Zhou, Hu; Yuan, Ai-Hua; Shen, Xiao-Ping; Zhang, Qian","A cyanide-bridged Fe^II^‒Nd^III^ bimetallic assembly with a one-dimensional ladder-like chain structure","Acta Crystallographica Section C","2009","65","5","m177","m179","10.1107/S0108270109005344","","","0.71073","MoKα","","0.0589","0.0417","","","0.0848","0.0874","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017111","11.893","0.005","13.322","0.005","17.097","0.005","90","0.005","96.659","0.005","90","0.005","2690.5","1.7","207","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[(pentaethylenehexamine)manganese(II)] [hepta-μ-selenido-tritin(IV)]]","","- C10 H28 Mn N6 Se7 Sn3 -","- C10 H28 Mn N6 Se7 Sn3 -","- C40 H112 Mn4 N24 Se28 Sn12 -","4","1","SF3102","Xu, Guo-Hai; Wang, Cheng; Guo, Peng","Poly[[(pentaethylenehexamine)manganese(II)] [hepta-μ-selenido-tritin(IV)]]: a tin‒selenium net with remarkable flexibility","Acta Crystallographica Section C","2009","65","5","m171","m173","10.1107/S0108270109010956","","","0.71069","MoKα","","0.0652","0.0423","","","0.0718","0.0789","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017112","9.477","0.001","10.398","0.001","11.4573","0.0001","90.259","0.001","101.436","0.001","94.055","0.001","1103.64","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","3,3,4,4,5,5-Hexafluoro-1-(2-methoxyphenyl)-2-[5-(4-methoxyphenyl)- 2-methyl-3-thienyl]cyclopent-1-ene","","- C24 H18 F6 O2 S -","- C24 H18 F6 O2 S -","- C48 H36 F12 O4 S2 -","2","1","SF3103","Fan, Congbin; Liu, Gang; Liu, Weijun; Yang, Tianshe; Ng, Seik Weng","3,3,4,4,5,5-Hexafluoro-1-(2-methoxyphenyl)-2-[5-(4-methoxyphenyl)-2-methyl-3-thienyl]cyclopent-1-ene: a photochromic compound","Acta Crystallographica Section C","2009","65","5","o243","o244","10.1107/S0108270109013468","","","0.71073","MoKα","","0.0541","0.0434","","","0.1249","0.1349","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017113","13.023","0.0004","13.023","0.0004","19.8046","0.0013","90","","90","","120","","2908.8","0.2","173","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","1,3,5-Triphenyladamantane","","- C28 H28 -","- C28 H28 -","- C168 H168 -","6","0.333333","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0569","0.0393","","","0.0915","0.1028","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017114","12.826","0.0011","12.826","0.0011","7.2032","0.0006","90","","90","","90","","1184.97","0.17","213","2","213","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","1,3,5,7-Tetraphenyladamantane","","- C34 H32 -","- C34 H32 -","- C68 H64 -","2","0.25","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0442","0.0348","","","0.0817","0.084","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017115","6.8017","0.001","8.158","0.0011","17.438","0.002","90","","90","","90","","967.6","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Methylimidazolium hydrogen succinate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0397","0.0344","","","0.0871","0.0919","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017116","5.4433","0.001","8.3842","0.0016","12.598","0.002","77.91","0.003","82.342","0.003","82.971","0.003","554.52","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-methylimidazolium hydrogen glutarate]","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0628","0.0516","","","0.1466","0.1576","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017117","4.9383","0.0004","8.0682","0.0006","16.684","0.0013","96.88","0.001","92.794","0.001","106.611","0.001","630","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-methylimidazolium hydrogen adipate monohydrate","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0624","0.0495","","","0.1466","0.1592","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017118","9.4211","0.0016","10.949","0.003","12.565","0.003","66.477","0.005","69.288","0.003","69.139","0.003","1076.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-hydrogen <i>N</i>-(2-oxidobenzylidene)-DL-glutamato]bis[(isoquinoline)copper(II)] ethanol disolvate","","- C46 H48 Cu2 N4 O12 -","- C46 H48 Cu2 N4 O12 -","- C46 H48 Cu2 N4 O12 -","1","0.5","SK3299","Langer, Vratislav; Gyepesová, Dalma; Kohútová, Mária; Valent, Aladár","Dimeric (isoquinoline)(<i>N</i>-salicylidene-<small>D</small>,<small>L</small>-glutamato)copper(II) ethanol solvate","Acta Crystallographica Section C","2009","65","5","m208","m210","10.1107/S0108270109009731","","","0.71073","MoKα","","0.0809","0.0482","","","0.1079","0.1235","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017119","5.8903","0.0002","9.6929","0.0002","36.9988","0.0008","90","","90","","90","","2112.41","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3302","Pinto, R. M. A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","Acta Crystallographica Section C","2009","65","5","o214","o216","10.1107/S0108270109010233","","","0.71073","MoKα","","0.0623","0.044","","","0.1211","0.1331","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017120","11.7106","0.0008","16.9105","0.0008","4.1894","0.0003","90","","90","","90","","829.64","0.09","290","2","290","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-chloro-1-hydroxynaphthalene","4-Chloro-1-naphthol","","- C10 H7 Cl O -","- C10 H7 Cl O -","- C40 H28 Cl4 O4 -","4","1","SK3305","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","4-Chloro-1-naphthol","Acta Crystallographica Section C","2009","65","5","o207","o210","10.1107/S0108270109010063","","","0.71073","MoKα","","0.0447","0.0273","","","0.0634","0.0785","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017121","6.4948","0.0004","28.7194","0.0016","7.1503","0.0004","90","","99.548","0.001","90","","1315.25","0.13","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one","","- C9 H4 O S8 -","- C9 H4 O S8 -","- C36 H16 O4 S32 -","4","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0431","0.0289","","","0.0593","0.0643","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017122","6.4762","0.0004","28.7451","0.0016","7.0792","0.0004","90","","99.322","0.001","90","","1300.45","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one","","- C9 H4 O S8 -","- C9 H4 O S8 -","- C36 H16 O4 S32 -","4","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.04","0.0286","","","0.0578","0.0614","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017123","7.3308","0.0001","12.7832","0.0003","28.0416","0.0006","90","","90","","90","","2627.81","0.09","296","","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-\ tetrathiapentalen-2-one","","- C9 H2 O S8 -","- C9 H2 O S8 -","- C72 H16 O8 S64 -","8","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0375","0.0269","","","0.0653","0.0703","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017124","5.2201","0.0008","6.973","0.0013","7.3252","0.0015","90","","91.66","0.02","90","","266.52","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","germanium tellurate(IV)","","- Ge O6 Te2 -","- Ge O6 Te2 -","- Ge2 O12 Te4 -","2","0.5","SQ3186","Jennene Boukharrata, Nefla; Thomas, Philippe; Laval, Jean-Paul","GeTe~2~O~6~, a germanium tellurate(IV) with an open framework","Acta Crystallographica Section C","2009","65","5","i23","i26","10.1107/S0108270109010488","","","0.71073","MoKα","","0.0788","0.0433","","","0.0496","0.0545","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017125","8.2797","0.0017","12.741","0.002","13.371","0.002","90","","90","","90","","1410.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyridinium dichromate","dipyridinium dichromate(VI)","","- C10 H12 Cr2 N2 O7 -","- C10 H12 Cr2 N2 O7 -","- C40 H48 Cr8 N8 O28 -","4","1","SU3032","Lennartson, Anders; Håkansson, Mikael","Dipyridinium dichromate: an achiral compound forming chiral crystals","Acta Crystallographica Section C","2009","65","5","m182","m184","10.1107/S0108270109011469","","","0.71073","MoKα","","0.0278","0.0259","","","0.0621","0.0628","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017126","6.9425","0.0014","12.366","0.003","29.22","0.006","90","","90","","90","","2508.6","0.9","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic acid hexahydrate","","- C19 H22 F6 O14 -","- C19 H22 F6 O14 -","- C76 H88 F24 O56 -","4","0.5","EG3011","Zhou, Yan; Zhao, Wen-Na; Han, Lei","A novel (3,4,10)-connected three-dimensional hydrogen-bonded supramolecular network containing a cyclic water hexamer","Acta Crystallographica Section C","2009","65","6","o287","o289","10.1107/S0108270109010658","","","0.71073","MoKα","","0.0788","0.0514","","","0.0989","0.1089","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017127","10.788","0.002","12.702","0.002","15.784","0.003","90","","90","","90","","2162.9","0.7","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","poly[[hexa-μ~3~-acetato-trimanganese(II)] acetonitrile solvate]","","- C14 H21 Mn3 N O12 -","- C14 H21 Mn3 N O12 -","- C56 H84 Mn12 N4 O48 -","4","0.5","EG3016","Fielden, John; Kögerler, Paul","Mn~3~(OAc)~6~·CH~3~CN: a porous dehydrated manganese(II) acetate","Acta Crystallographica Section C","2009","65","6","m224","m227","10.1107/S0108270109014693","","","0.71073","MoKα","","0.0384","0.0267","","","0.0635","0.0705","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017128","17.548","0.009","17.548","0.009","7.898","0.004","90","","90","","120","","2106.2","1.9","110","2","110","2","","","","","","","","6","R 3 :H","R 3","146","","amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4- ene)tetracopper(II)","","- C15 H30 Cl6 Cu4 N10 O -","- C15 H30 Cl6 Cu4 N10 O -","- C45 H89.9999 Cl18 Cu12 N30 O3 -","3","0.333333","FA3183","Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P.","The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)","Acta Crystallographica Section C","2009","65","6","m228","m230","10.1107/S0108270109015054","","","0.71073","MoKα","","0.0373","0.0325","","","0.0615","0.0628","","","","","","0.935","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017129","5.8382","0.0014","12.582","0.003","13.279","0.003","106.928","0.003","97.777","0.003","101.077","0.003","896.6","0.4","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid","","- C19 H19 N3 O4 S -","- C19 H19 N3 O4 S -","- C38 H38 N6 O8 S2 -","2","1","FN3023","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid‒dichloromethane‒diethyl ether‒water (2/0.72/1/1)","Acta Crystallographica Section C","2009","65","6","o296","o299","10.1107/S010827010901676X","","","0.71073","MoKα","","0.0452","0.0374","","","0.102","0.109","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017130","49.255","0.015","11.702","0.003","16.181","0.005","90","","95.567","0.004","90","","9282","5","115","2","115","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis{3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid} dichloromethane 0.72-solvate diethyl ether solvate monohydrate","","- C20.36 H24.72 Br Cl0.72 N3 O5 S -","- C20.361 H22.722 Br Cl0.722 N3 O5 S -","- C325.776 H363.552 Br16 Cl11.552 N48 O80 S16 -","16","2","FN3023","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","3-[1-(4-Sulfamoylphenyl)-5-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1<i>H</i>-pyrazol-3-yl]propanoic acid–dichloromethane–diethyl ether–water (2/0.72/1/1)","Acta Crystallographica Section C","2009","65","6","o296","o299","10.1107/S010827010901676X","","","0.71073","MoKα","","0.0526","0.0371","","","0.0971","0.1047","","","","","","1.015","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"2017131","9.1105","0.0005","9.1105","0.0005","16.2506","0.0007","90","","90","","120","","1168.11","0.1","100","2","100","2","","","","","","","","5","P 32","P 32","145","Streptidinium sulfate monohydrate","{[(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-2,4,5,6-tetrahydroxycyclohexane- 1,3-diyl]diimino}bis(aminomethaniminium) sulfate monohydrate","","- C8 H22 N6 O9 S -","- C8 H22 N6 O9 S -","- C24 H66 N18 O27 S3 -","3","1","GD3283","Leśniewska, Barbara; Jebors, Said; Coleman, Anthony W.; Suwińska, Kinga","Streptidinium sulfate monohydrate","Acta Crystallographica Section C","2009","65","6","o290","o292","10.1107/S0108270109015650","","","0.71073","MoKα","","0.0487","0.0456","","","0.098","0.1003","","","","","","1.05","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2017132","9.342","0.0005","12.4483","0.0008","11.4167","0.0007","90","","108.801","0.0017","90","","1256.83","0.13","100","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-carbamoylpyridinium hydrogen chloranilate","2-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C48 H32 Cl8 N8 O20 -","4","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0518","0.0397","","","0.0996","0.1114","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017133","9.9861","0.0005","6.1438","0.0003","11.6027","0.0005","90","","114.858","0.0016","90","","645.9","0.05","100","1","","","","","","","","","","5","P 1 c 1","P -2yc","7","3-carbamoylpyridinium hydrogen chloranilate","3-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0382","0.0328","","","0.1119","0.1492","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017134","12.9482","0.0004","13.4993","0.0005","7.0726","0.0003","90","","92.013","0.0011","90","","1235.47","0.08","100","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","4-carbamoylpyridinium hydrogen chloranilate","4-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C48 H32 Cl8 N8 O20 -","4","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0255","0.0215","","","0.0559","0.0608","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017135","7.1194","0.0003","13.669","0.0006","7.2695","0.0004","90","","92.859","0.006","90","","706.55","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-acetylresorcinol","1-(2,4-dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","GD3292","Jones, Peter G.; Mangalagiu, Ionel I.","Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol","Acta Crystallographica Section C","2009","65","6","o300","o302","10.1107/S0108270109017715","","","0.71073","MoKα","","0.0609","0.0399","","","0.0996","0.1048","","","","","","0.946","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017136","6.764","0.0003","13.1193","0.0006","23.9936","0.0009","90","","90","","90","","2129.17","0.16","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-acetylresorcinol","1-(2,4-dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","GD3292","Jones, Peter G.; Mangalagiu, Ionel I.","Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol","Acta Crystallographica Section C","2009","65","6","o300","o302","10.1107/S0108270109017715","","","1.54184","CuKα","","0.0326","0.0303","","","0.0808","0.0828","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017137","16.349","0.003","14.051","0.002","13.625","0.003","90","","99.308","0.018","90","","3088.7","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4- <i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135)","","- C14.73 H19.73 N6.27 O0.87 -","- C14.73 H19.73 N6.27 O0.865 -","- C117.84 H157.84 N50.16 O6.92 -","8","1","GG3199","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","<i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135): hydrogen-bonded ribbons containing four independent ring types","Acta Crystallographica Section C","2009","65","6","o293","o295","10.1107/S0108270109016333","","","0.71073","MoKα","","0.1295","0.0654","","","0.1565","0.1909","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017138","7.9364","0.0001","9.0864","0.0002","8.248","0.0001","90","","95.734","0.002","90","","591.814","0.017","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridobis(1<i>H</i>-imidazole)manganese(II)","","- C6 H12 Cl2 Mn N4 O2 -","- C6 H12 Cl2 Mn N4 O2 -","- C12 H24 Cl4 Mn2 N8 O4 -","2","0.5","SK3300","Hachuła, Barbara; Pedras, Monika; Pentak, Danuta; Nowak, Maria; Kusz, Joachim; Borek, Jerzy","Diaquadichloridobis(1<i>H</i>-imidazole)manganese(II) at 100 K","Acta Crystallographica Section C","2009","65","6","m215","m218","10.1107/S0108270109015303","","","0.71073","MoKα","","0.0143","0.0139","","","0.0377","0.038","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017139","20.655","0.006","5.4","0.001","17.653","0.003","90","","108.29","0.01","90","","1869.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(CYMB)2]","<i>trans</i>-bis{2-[(2-cyanoethyl)iminomethyl]phenolato}copper(II)","","- C20 H18 Cu N4 O2 -","- C20 H18 Cu N4 O2 -","- C80 H72 Cu4 N16 O8 -","4","0.5","SK3303","Corsini, Maddalena; Zanello, Piero; Cini, Renzo; Tamasi, Gabriella","X-ray structure and density functional theory studies of an unexpected product: <i>trans</i>-bis{2-[(2-cyanoethyl)iminomethyl]phenolato}copper(II)","Acta Crystallographica Section C","2009","65","6","m219","m223","10.1107/S0108270109014437","","","0.71073","MoKα","","0.0663","0.0474","","","0.1262","0.1402","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017140","7.8101","0.0005","10.469","0.0012","5.2638","0.0003","90","","90.99","0.007","90","","430.32","0.06","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","trans-Decalin","<i>trans</i>-Decahydronaphthalene","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","SK3312","Eibl, Stefan; Fitch, Andrew; Brunelli, Michela; Evans, Alexander Dominic; Pattison, Philip; Plazanet, Marie; Johnson, Mark Robert; Alba-Simionesco, Christiane; Schober, Helmut","<i>trans</i>-Decahydronaphthalene (decalin) from powder diffraction data","Acta Crystallographica Section C","2009","65","6","o278","o280","10.1107/S0108270109013365","powder diffraction","","0.694","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017141","6.6749","0.0004","5.0712","0.0005","19.7422","0.0004","90","","99.996","0.002","90","","658.12","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Amino-3-methyluracil-5-carbaldehyde","6-amino-5-formyl-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","SK3315","de la Torre, José M.; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","Nonmerohedrally twinned 6-amino-3-methyluracil-5-carbaldehyde: a hydrogen-bonded ribbon containing four types of ring","Acta Crystallographica Section C","2009","65","6","o281","o283","10.1107/S0108270109013493","","","0.71073","MoKα","","0.0781","0.0584","","","0.1404","0.152","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017142","4.7869","0.0007","9.9558","0.0015","28.423","0.004","90","","90","","90","","1354.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Phenylalanine‒D-2-aminobutyric acid (1/1)","L-Phenylalanine‒D-2-ammoniobutyrate (1/1)","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0482","0.042","","","0.1163","0.12","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017143","4.7624","0.0008","9.9569","0.0017","30.935","0.006","90","","90","","90","","1466.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanine‒D-norvaline (1/1)","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C56 H88 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0472","0.0401","","","0.0901","0.0925","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017144","10.11","0.002","4.7064","0.0009","16.686","0.003","90","","106.663","0.002","90","","760.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-methionine (1/1)","","- C14 H22 N2 O4 S -","- C14 H22 N2 O4 S -","- C28 H44 N4 O8 S2 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0409","0.0374","","","0.0971","0.0985","","","","","","1.183","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017145","5.1861","0.0005","29.698","0.003","5.4158","0.0005","90","","110.372","0.001","90","","781.95","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-leucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0416","0.036","","","0.0857","0.0889","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017146","5.2317","0.0012","5.4232","0.0012","14.459","0.003","85.936","0.003","85.343","0.003","70.424","0.002","384.83","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","L-Phenylalanine‒D-isoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","1","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0678","0.0455","","","0.0914","0.0991","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017147","5.2436","0.0005","28.949","0.003","5.4069","0.0005","90","","109.747","0.001","90","","772.49","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenylalanine‒D-alloisoleucine (1/1)","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C30 H48 N4 O8 -","2","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0358","0.0344","","","0.0866","0.0876","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017148","12.1969","0.0015","13.401","0.0013","6.6071","0.0008","90","","92.134","0.011","90","","1079.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-7-(2-thienyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)- dione","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","SK3317","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","3-Methyl-7-(2-thienyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione: π-stacked bilayers built from N—H···O, C—H···O and C—H···π hydrogen bonds","Acta Crystallographica Section C","2009","65","6","o284","o286","10.1107/S0108270109014097","","","0.71073","MoKα","","0.0795","0.046","","","0.1083","0.1291","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017149","6.9807","0.0005","9.1462","0.0006","11.2512","0.0006","107.357","0.005","105.037","0.005","102.028","0.006","629.54","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquachloridocopper(II)]-μ-<i>N</i>-(6-amino-3-methyl- 5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycinato] monohydrate]","","- C14 H24 Cl2 Cu2 N10 O12 -","- C14 H24 Cl2 Cu2 N10 O12 -","- C14 H24 Cl2 Cu2 N10 O12 -","1","0.5","SK3322","Cobo, Justo; López, Rafael; Arranz, Paloma; Glidewell, Christopher","<i>catena</i>-Poly[[[aquachloridocopper(II)]-μ-<i>N</i>-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycinato] monohydrate] redetermined at 120K: a highly polarized ligand within coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2009","65","6","m231","m234","10.1107/S0108270109018149","","","0.71073","MoKα","","0.0419","0.0294","","","0.0754","0.0796","","","","","","1.036","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017150","20.038","0.004","7.3732","0.0012","23.444","0.003","90","","106.007","0.013","90","","3329.4","1","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-Benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","","- C20 H23 N3 -","- C20 H23 N3 -","- C160 H184 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1014","0.052","","","0.1058","0.1291","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017151","10.7749","0.0013","10.7749","0.0013","30.868","0.003","90","","90","","90","","3583.7","0.7","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","3-<i>tert</i>-butyl-5-(4-methylbenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C21 H25 N3 -","- C21 H25 N3 -","- C168 H200 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1056","0.0515","","","0.0994","0.1188","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017152","20.824","0.003","7.3429","0.0011","24.225","0.004","90","","97.275","0.011","90","","3674.4","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-<i>tert</i>-butyl-1-phenyl-5-[4-(trifluoromethyl)benzyl]-1<i>H</i>-pyrazole","","- C21 H22 F3 N3 -","- C21 H22 F3 N3 -","- C168 H176 F24 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1933","0.0825","","","0.1565","0.1961","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017153","9.385","0.003","9.7584","0.0019","10.6014","0.0017","112.459","0.013","95.721","0.018","99.735","0.019","869.8","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-5-(4-chlorobenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 Cl N3 -","- C20 H22 Cl N3 -","- C40 H44 Cl2 N6 -","2","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.0798","0.0452","","","0.0981","0.1129","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017154","20.1981","0.0006","7.396","0.0009","24.171","0.004","90","","98.634","0.007","90","","3569.9","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-bromobenzyl)-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 Br N3 -","- C20 H22 Br N3 -","- C160 H176 Br8 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.0795","0.0477","","","0.1204","0.1369","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017155","9.6594","0.0011","12.3991","0.0011","15.4338","0.0015","90","","97.744","0.008","90","","1831.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-<i>tert</i>-butyl-5-(4-nitrobenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1155","0.0619","","","0.1411","0.169","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017156","10.1533","0.0011","11.1645","0.001","20.927","0.002","84.82","0.008","82.988","0.008","63.153","0.007","2099","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-5-(3,4,5-trimethoxybenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C92 H116 N12 O12 -","4","2","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1531","0.0644","","","0.1348","0.174","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017157","10.3593","0.0019","17.437","0.003","11.532","0.002","90","","114.121","0.003","90","","1901.2","0.6","298","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[tetraaquazinc(II)]-μ- 4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate]","","- C12 H20 N6 O9 S Zn -","- C12 H20 N6 O9 S Zn -","- C48 H80 N24 O36 S4 Zn4 -","4","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0542","0.0448","","","0.1115","0.1165","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017158","18.2543","0.0017","19.8942","0.0018","20.7455","0.0019","90","","90","","90","","7533.8","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","","- C24 H40 Cu N14 O16 -","- C24 H40 Cu N14 O16 -","- C192 H320 Cu8 N112 O128 -","8","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0477","0.0362","","","0.089","0.0963","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017159","20.385","0.003","17.838","0.003","13.038","0.003","90","","101.89","0.03","90","","4639.3","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4-aminopyridinium) hydrogen [(5-methyl-2-pyridinio)aminomethylene]diphosphonate 2.4-hydrate","","- C17 H28.8 N6 O8.4 P2 -","- C17 H27.606 N6 O8.4015 P2 -","- C136 H220.848 N48 O67.212 P16 -","8","1","TR3053","Matczak-Jon, Ewa; Ślepokura, Katarzyna; Kafarski, Paweł; Skrzyńska, Izabela; Jon, Marek","Conformational isomers of the [(5-methyl-2-pyridinio)aminomethylene]diphosphonate dianion and [(5-methyl-2-pyridyl)aminomethylene]diphosphonate trianion in salts with 4-aminopyridine and ammonia","Acta Crystallographica Section C","2009","65","6","o261","o266","10.1107/S0108270109010683","","","0.71073","MoKα","","0.0443","0.0365","","","0.0974","0.1034","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017160","17.087","0.003","6.216","0.002","15.159","0.003","90","","109.84","0.03","90","","1514.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triammonium hydrogen [(5-methyl-2-pyridyl)aminomethylene]diphosphonate monohydrate","","- C7 H23 N5 O7 P2 -","- C7 H23 N5 O7 P2 -","- C28 H92 N20 O28 P8 -","4","1","TR3053","Matczak-Jon, Ewa; Ślepokura, Katarzyna; Kafarski, Paweł; Skrzyńska, Izabela; Jon, Marek","Conformational isomers of the [(5-methyl-2-pyridinio)aminomethylene]diphosphonate dianion and [(5-methyl-2-pyridyl)aminomethylene]diphosphonate trianion in salts with 4-aminopyridine and ammonia","Acta Crystallographica Section C","2009","65","6","o261","o266","10.1107/S0108270109010683","","","0.71073","MoKα","","0.0482","0.0317","","","0.0827","0.0925","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017161","13.729","0.003","14.829","0.003","10.679","0.002","90","","92.749","0.003","90","","2171.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{2-[2-(η^5^-cyclopentadienyl)-2-methylpropyl]-1<i>H</i>-imidazolyl- κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido-κ<i>N</i>)titanium(IV)","","- C20 H34 N4 Ti -","- C20 H34 N4 Ti -","- C80 H136 N16 Ti4 -","4","1","BG3099","Wang, Xiaowu; Nie, Wanli; Ge, Fang; Borzov, Maxim V.","Two 18ē Ti^IV^ η^5^-Cp-tris(<i>sec</i>-amido)-type complexes derived from 1<i>H</i>-imidazol-2-yl side-chain functionalized cyclopentadienes","Acta Crystallographica Section C","2009","65","7","m255","m259","10.1107/S010827010902112X","","","0.71073","MoKα","","0.0512","0.0366","","","0.1","0.1055","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017162","9.7472","0.0015","14.469","0.002","18.006","0.003","89.362","0.002","76.965","0.002","72.161","0.002","2350.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>SR</i>)-{2-[(η^5^-cyclopentadienyl)(phenyl)methyl]-1<i>H</i>- imidazolyl-κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido- κ<i>N</i>)titanium(IV)","","- C23 H32 N4 Ti -","- C23 H32 N4 Ti -","- C92 H128 N16 Ti4 -","4","2","BG3099","Wang, Xiaowu; Nie, Wanli; Ge, Fang; Borzov, Maxim V.","Two 18ē Ti^IV^ η^5^-Cp-tris(<i>sec</i>-amido)-type complexes derived from 1<i>H</i>-imidazol-2-yl side-chain functionalized cyclopentadienes","Acta Crystallographica Section C","2009","65","7","m255","m259","10.1107/S010827010902112X","","","0.71073","MoKα","","0.0699","0.0413","","","0.1075","0.1157","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017163","14.5928","0.0002","9.8699","0.0002","16.0846","0.0003","90","","113.843","0.002","90","","2118.95","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato- k^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","","- C20 H18 N8 Ni O6 -","- C20 H18 N8 Ni O6 -","- C80 H72 N32 Ni4 O24 -","4","1","BG3101","Černák, Juraj; Pavlová, Anna; Dušek, Michal; Fejfarová, Karla","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","Acta Crystallographica Section C","2009","65","7","m260","m262","10.1107/S0108270109021131","","","0.71073","MoKα","","0.0306","0.0228","","","0.062","0.0641","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017164","14.2218","0.0011","12.7866","0.001","10.8659","0.0008","90","","102.219","0.001","90","","1931.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)]","","- C44 H34 Cl4 N6 Ni2 -","- C44 H34 Cl4 N6 Ni2 -","- C88 H68 Cl8 N12 Ni4 -","2","0.5","DN3115","Chen, Ying-Lin; Li, Ben-Zhen; Yang, Ping; Wu, Jian-Zhong","Di-μ-chlorido-bis[chlorido(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II)]: a supramolecular system constructed by C—H···Cl interactions","Acta Crystallographica Section C","2009","65","7","m238","m240","10.1107/S0108270109018812","","","0.71073","MoKα","","0.065","0.0369","","","0.0711","0.0792","","","","","","0.862","","","","has coordinates,has Fobs","201206","2020-10-21","18:00:00",""
"2017165","6.083","0.0009","10.8648","0.0016","9.6826","0.0014","90","","102.621","0.005","90","","624.47","0.16","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-methylpiperazinium (2<i>S</i>,3<i>S</i>)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C18 H44 N4 O16 -","2","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (<i>S</i>)- and (<i>R</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0195","0.0195","","","0.0499","0.05","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017166","6.1303","0.0002","11.3207","0.0005","18.357","0.0005","90","","90","","90","","1273.96","0.08","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinium (2<i>S</i>,3<i>S</i>)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C36 H88 N8 O32 -","4","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (<i>S</i>)- and (<i>R</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0222","0.0217","","","0.0592","0.0595","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017167","7.3214","0.0008","12.9466","0.0014","14.5178","0.0016","83.699","0.009","84.378","0.009","82.878","0.009","1352.3","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-poly[[bis[(triazacyclononane-κ^3^N,N',N'')copper(II)]- di-μ-cyanido-κ^4^N:C-palladate(II)-di-μ-cyanido-κ^4^C:N] dibromide bis[[(triazacyclononane-κ^3^N,N',N'')copper(II)]-μ-cyanido-κ^2^N:C- [dicyanidopalladate(II)]-μ-cyanido-κ^2^C:N] monohydrate]","","- C36 H62 Br2 Cu4 N24 O Pd3 -","- C36 H60 Br2 Cu4 N24 O Pd3 -","- C36 H60 Br2 Cu4 N24 O Pd3 -","1","0.5","EM3023","Kuchár, Juraj; Černák, Juraj","Two different one-dimensional structural motifs in [<i>catena</i>-{Cu(tacn)}~2~Pd(CN)~4~]Br~2~·[<i>catena</i>-Cu(tacn)Pd(CN)~4~]~2~·H~2~O (tacn is 1,4,7-triazacyclononane)","Acta Crystallographica Section C","2009","65","7","m246","m249","10.1107/S0108270109017107","","","0.71073","MoKα","","0.0573","0.0442","","","0.1082","0.1154","","","","","","1.029","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2017168","12.4648","0.0005","6.3096","0.0002","10.6032","0.0005","90","","103.269","0.004","90","","811.66","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dicopper(II) trihydroxide cyanoureate dihydrate","Poly[[μ-cyanoureato-tri-μ-hydroxido-dicopper(II)] dihydrate]","","- C2 H9 Cu2 N3 O6 -","- C2 H9 Cu2 N3 O6 -","- C8 H36 Cu8 N12 O24 -","4","1","EM3026","Chippindale, Ann M.; Hibble, Simon J.; Bilbé, Edward J.","Dicopper(II) trihydroxide cyanoureate dihydrate","Acta Crystallographica Section C","2009","65","7","i39","i41","10.1107/S0108270109020885","","","0.71073","MoKα","","0.0634","0.0308","","0.0267","0.0249","0.0249","","","","","","1.1139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017169","7.6399","0.0012","10.7925","0.0017","11.4616","0.0019","73.224","0.003","74.613","0.002","71.287","0.003","841.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetraaquabis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)] [[diaquabis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)]- μ-benzene-1,2,4,5-tetracarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C22 H38 N8 Ni2 O18 -","- C22 H38 N8 Ni2 O18 -","- C22 H38 N8 Ni2 O18 -","1","0.5","EM3027","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric structures with a benzene-1,2,4,5-tetracarboxylate ligand acting in μ~2~- and μ~4~-bridging modes","Acta Crystallographica Section C","2009","65","7","m241","m245","10.1107/S0108270109019490","","","0.71073","MoKα","","0.07","0.0494","","","0.1139","0.1248","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017170","8.9122","0.0018","11.045","0.002","11.45","0.002","83.381","0.003","74.579","0.003","74.162","0.003","1044.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[(μ~4~-benzene-1,2,4,5-tetracarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)octakis(1<i>H</i>- pyrazole-κ<i>N</i>^2^)dicobalt(II)] tetrahydrate]","","- C34 H42 Co2 N16 O12 -","- C34 H42 Co2 N16 O12 -","- C34 H42 Co2 N16 O12 -","1","0.5","EM3027","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric structures with a benzene-1,2,4,5-tetracarboxylate ligand acting in μ~2~- and μ~4~-bridging modes","Acta Crystallographica Section C","2009","65","7","m241","m245","10.1107/S0108270109019490","","","0.71073","MoKα","","0.0812","0.0527","","","0.1119","0.123","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017171","10.7138","0.0007","7.1069","0.0005","19.8033","0.0013","90","","104.76","0.003","90","","1458.1","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","stilbene","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","FA3186","Sopková-de Oliveira Santos, Jana; Bazin, Marc-Antoine; Lohier, Jean-François; El Kihel, Laīla; Rault, Sylvain","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene and (<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","Acta Crystallographica Section C","2009","65","7","o311","o313","10.1107/S0108270109019702","","","0.71073","MoKα","","0.0467","0.038","","","0.1115","0.1217","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017172","10.2899","0.0004","7.0186","0.0003","13.9897","0.0005","90","","102.138","0.002","90","","987.76","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","0.5","FA3186","Sopková-de Oliveira Santos, Jana; Bazin, Marc-Antoine; Lohier, Jean-François; El Kihel, Laīla; Rault, Sylvain","1,2,3-Trimethoxy-4-[(<i>E</i>)-2-phenylvinyl]benzene and (<i>E</i>,<i>E</i>)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene","Acta Crystallographica Section C","2009","65","7","o311","o313","10.1107/S0108270109019702","","","0.71073","MoKα","","0.0634","0.0461","","","0.1224","0.1357","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017173","10.569","0.001","14.054","0.003","15.016","0.001","90","","105.95","0.03","90","","2144.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒2-(1<i>H</i>)-pyridone (1/2)","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0817","0.062","","","0.1794","0.1999","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017174","9.838","0.002","10.085","0.002","14.016","0.003","89.77","0.03","74.9","0.03","62.764","0.002","1182.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒4-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","1","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0619","0.0453","","","0.1243","0.1406","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017175","11.415","0.002","10.957","0.002","19.66","0.003","90","","106.59","0.02","90","","2356.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diphenic acid:pyridone","1,1'-Biphenyl-2,2'-dicarboxylic acid‒6-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.11","0.0776","","","0.2454","0.2868","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017176","7.305","0.001","9.369","0.002","13.292","0.003","77.32","0.02","89.46","0.02","76.57","0.03","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexdiyne-1,6-diol‒1-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0611","0.0423","","","0.1212","0.1349","","","","","","0.978","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017177","8.64","0.002","10.203","0.002","11.403","0.003","106.71","0.03","111.54","0.02","95.87","0.02","870.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexdiyne-1,6-diol‒4-methyl-2-(1<i>H</i>)-pyridone (1/2)","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.0859","0.0429","","","0.1096","0.1311","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017178","10.634","0.002","11.484","0.002","28.574","0.004","90","","96.43","0.02","90","","3467.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4''-(ethane-1,1,1-triyl)triphenol‒6-methyl-2-(1<i>H</i>)-pyridone‒water (1/3/1)","","- C38 H41 N3 O7 -","- C38 H40.52 N3 O7 -","- C152 H162.08 N12 O28 -","4","1","FG3097","Telzhensky, Marina; Kaftory, Menahem","Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds","Acta Crystallographica Section C","2009","65","7","o314","o320","10.1107/S010827010901751X","","","0.71073","MoKα","","0.089","0.0474","","","0.134","0.1608","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017179","5.4489","0.0001","5.4489","0.0001","35.4321","0.0009","90","","90","","120","","911.06","0.03","293","2","","","","","","","","","","5","R -3 m","-R 3 2""","166","","Dipotassium trimanganese(II) tetrakis(hydrogen phosphite)","","- H4 K2 Mn3 O12 P4 -","- H4 K2 Mn3 O12 P4 -","- H12 K6 Mn9 O36 P12 -","3","","FN3017","Hamchaoui, Farida; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric","Dipotassium trimanganese(II) tetrakis(hydrogenphosphite), K~2~[Mn~3~(HPO~3~)~4~]","Acta Crystallographica Section C","2009","65","7","i33","i35","10.1107/S010827010901957X","","","0.71073","MoKα","","","0.0232","","","","0.0625","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017180","11.4985","0.0003","11.7771","0.0005","11.5999","0.0004","90","","99.807","0.002","90","","1547.89","0.09","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanadium hypophosphite","","- H12 O12 P6 V2 -","- H12 O12 P6 V2 -","- H48 O48 P24 V8 -","4","1","FN3018","Maouel, Hind A.; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric","The first three-dimensional vanadium hypophosphite","Acta Crystallographica Section C","2009","65","7","i36","i38","10.1107/S0108270109021325","","","0.71073","MoKα","","","0.0529","","","","0.0905","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017181","7.1779","0.0006","13.2152","0.0012","12.5113","0.0011","90","","106.156","0.002","90","","1139.92","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium cadmium metaborate","","- B3 Cd K O6 -","- B3 Cd K O6 -","- B24 Cd8 K8 O48 -","8","1","FN3024","Jin, Shifeng; Chai, Gemei; Liu, Jun; Wang, Wanyan; Chen, Xiaolong","The centrosymmetric metal metaborate KCdB~3~O~6~","Acta Crystallographica Section C","2009","65","7","i42","i44","10.1107/S0108270109021477","","","0.71073","MoKα","","0.0337","0.033","","","0.0921","0.0927","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017182","8.5762","0.0011","21.844","0.002","11.092","0.005","90","","110.512","0.017","90","","1946.2","1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(nitrato- κ<i>O</i>)copper(II)]-μ~2~-4,4'-dithiodipyridine-κ^2^<i>N</i>:<i>N</i>'] nitrate monohydrate]","","- C12 H20 Cu N6 O8 S2 -","- C12 H20 Cu N6 O8 S2 -","- C48 H80 Cu4 N24 O32 S8 -","4","1","GD3289","Seidel, Rüdiger W.; Oppel, Iris M.","<i>catena</i>-Poly[[[aqua(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II)]-μ-4,4'-dithiodipyridine-κ^2^<i>N</i>:<i>N</i>'] nitrate monohydrate]","Acta Crystallographica Section C","2009","65","7","m235","m237","10.1107/S0108270109015418","","","0.71073","MoKα","","0.0447","0.0337","","","0.0825","0.0876","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017183","11.892","0.0004","7.359","0.0002","15.886","0.001","90","","107.2","0.004","90","","1328.06","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzoyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-2-carbonitrile","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","GG3197","Ejsmont, Krzysztof; Joly, Jean-Pierre; Wenger, Emmanuel; Guillot, Benoit; Jelsch, Christian","4-Benzoyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-2-carbonitrile: refinement using a multipolar atom model","Acta Crystallographica Section C","2009","65","7","o342","o344","10.1107/S0108270109019544","","","0.71073","MoKα","","0.117","0.0609","","","0.0219","0.0231","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017184","14.3816","0.0002","14.7626","0.0002","20.1025","0.0003","90","","90","","90","","4267.96","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-D-xylopyranosylamino)- 1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate","","- C18 H23.13 N3 O10.065 -","- C18 H23.13 N3 O10.065 -","- C144 H185.04 N24 O80.52 -","8","2","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0382","0.0329","","","0.0854","0.088","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017185","6.9294","0.0001","10.7415","0.0002","26.4825","0.0005","90","","90","","90","","1971.15","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,6-dihydropyrimidine-5-carbaldehyde","","- C17 H21 N3 O9 S -","- C17 H21 N3 O9 S -","- C68 H84 N12 O36 S4 -","4","1","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0432","0.0377","","","0.0933","0.0964","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017186","8.87","0.0015","10.004","0.003","12.87","0.002","69.993","0.019","70.598","0.014","67.556","0.019","964.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)","","- C20 H17 N6 Ni O P -","- C20 H17 N6 Ni O P -","- C40 H34 N12 Ni2 O2 P2 -","2","1","GZ3164","Novaković, Sladjana B.; Bogdanović, Goran A.; Brčeski, Ilija D.; Leovac, Vukadin M.","Different intermolecular interactions in azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)","Acta Crystallographica Section C","2009","65","7","m263","m265","10.1107/S0108270109021970","","","0.71073","MoKα","","0.0919","0.059","","","0.1577","0.1691","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017187","26.015","0.005","12.094","0.002","8.4579","0.0017","90","","108.91","0.03","90","","2517.4","0.9","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[diaqua(μ~3~-2,2-dimethylmalonato)cadmium(II)] tetrahydrate]","","- C5 H18 Cd O10 -","- C5 H18 Cd O10 -","- C40 H144 Cd8 O80 -","8","1","KU3007","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[diaqua(μ~3~-2,2-dimethylmalonato)cadmium(II)] tetrahydrate]","Acta Crystallographica Section C","2009","65","7","m266","m268","10.1107/S0108270109021441","","","0.71073","MoKα","","0.0288","0.0262","","","0.0691","0.0703","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017188","8.7737","0.001","10.4982","0.0011","11.7877","0.0012","98.463","0.008","101.314","0.008","104.75","0.008","1007.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)‒<i>N</i>-methylpyrrolidone‒propan-2-ol (1/2/1)","","- C47 H48 N6 O7 -","- C47 H48 N6 O7 -","- C47 H48 N6 O7 -","1","0.5","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.0688","0.0569","","","0.1702","0.1808","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017189","8.8137","0.0008","10.1565","0.0009","12.73","0.0011","99.212","0.007","99.567","0.007","105.102","0.007","1059.84","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)‒<i>N</i>-methylpyrrolidone (1/3)","","- C49 H49 N7 O7 -","- C49 H49 N7 O7 -","- C49 H49 N7 O7 -","1","0.5","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.0925","0.0799","","","0.2138","0.2229","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017190","5.7853","0.0006","15.2219","0.0017","19.198","0.002","75.321","0.009","87.393","0.008","84.74","0.009","1628.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>p</i>-phenylenebis(2-oxo-3-phenyl-1,2-dihydropyrido[1,2- <i>a</i>]pyrimidin-5-ium-4-olate)-<i>N</i>-methylpyrrolidone‒butan-1-ol (2/1/2)","","- C40.5 H36.5 N4.5 O5.5 -","- C34 H22 N4 O4 -","- C68 H44 N8 O8 -","2","1","LN3130","Brüning, Jürgen; Bolte, Michael; Schmidt, Martin U.","Three solvates of a bis-mesoionic fluorescent yellow pigment","Acta Crystallographica Section C","2009","65","7","o352","o356","10.1107/S0108270109018952","","","0.71073","MoKα","","0.1534","0.0812","","","0.1848","0.2179","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017191","10.6492","0.001","20.914","0.002","11.3422","0.0011","90","","109.662","0.002","90","","2378.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ-benzene-1,2,4,5-tetracarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[aquabis(2,2-methylpropane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')nickel(II)] methanol disolvate tetrahydrate","","- C32 H78 N8 Ni2 O16 -","- C32 H78 N8 Ni2 O16 -","- C64 H156 N16 Ni4 O32 -","2","0.5","LN3133","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric nickel(II) complexes with aromatic benzene-1,2,4,5-tetracarboxylate and pyridine-2,5-dicarboxylate linkers","Acta Crystallographica Section C","2009","65","7","m250","m254","10.1107/S0108270109021404","","","0.71073","MoKα","","0.0861","0.0559","","","0.1319","0.1456","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017192","12.269","0.003","13.622","0.003","15.171","0.004","105.25","0.03","98.02","0.02","111.25","0.03","2200.8","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[bis(2,2-methylpropane-1,3-amine- κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-pyridine-2,5-dicarboxylato- κ^3^O^5^:N,O^2^-[(2,2-methylpropane-1,3-amine- κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-pyridine-2,5-dicarboxylato- κ^3^N,O^2^:O^5^]octahydrate]","","- C29 H64 N8 Ni2 O16 -","- C29 H48 N8 Ni2 O16 -","- C58 H96 N16 Ni4 O32 -","2","1","LN3133","Atria, Ana María; Corsini, Gino; González, Lissette; Garland, Maria Teresa; Baggio, Ricardo","Two polymeric nickel(II) complexes with aromatic benzene-1,2,4,5-tetracarboxylate and pyridine-2,5-dicarboxylate linkers","Acta Crystallographica Section C","2009","65","7","m250","m254","10.1107/S0108270109021404","","","0.71073","MoKα","","0.0927","0.0602","","","0.1698","0.1917","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017193","8.5756","0.0006","11.0381","0.0008","11.2005","0.0008","100.426","0.001","103.123","0.001","99.66","0.001","991.04","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C36 H40 O20 S2 -","2","1","SF3106","Manoj, K.; Gonnade, R. G.; Bhadbhade, M. M.; Shashidhar, M. S.","Dipolar S=O···C=O and C—H···O interactions in the molecular organization of 4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoesters","Acta Crystallographica Section C","2009","65","7","o335","o338","10.1107/S0108270109017211","","","0.71073","MoKα","","0.0456","0.0413","","","0.1103","0.1151","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017194","12.3019","0.0014","8.2155","0.001","23.551","0.003","90","","91.306","0.002","90","","2379.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthobenzoate","","- C24 H24 O10 S -","- C24 H24 O10 S -","- C96 H96 O40 S4 -","4","1","SF3106","Manoj, K.; Gonnade, R. G.; Bhadbhade, M. M.; Shashidhar, M. S.","Dipolar S=O···C=O and C—H···O interactions in the molecular organization of 4,6-di-<i>O</i>-acetyl-2-<i>O</i>-tosyl-<i>myo</i>-inositol 1,3,5-orthoesters","Acta Crystallographica Section C","2009","65","7","o335","o338","10.1107/S0108270109017211","","","0.71073","MoKα","","0.0818","0.0558","","","0.1135","0.1234","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017195","5.6426","0.0011","17.512","0.003","11.323","0.002","90","","94.36","0.01","90","","1115.6","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-amino-5-chloropyridinium trichloroacetate","","- C7 H6 Cl4 N2 O2 -","- C7 H6 Cl4 N2 O2 -","- C28 H24 Cl16 N8 O8 -","4","1","SK3318","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate","Acta Crystallographica Section C","2009","65","7","o339","o341","10.1107/S0108270109021490","","","0.71073","MoKα","","0.0522","0.0289","","","0.045","0.0473","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017196","6.981","0.0014","8.3611","0.0017","12.229","0.002","103.74","0.01","92.29","0.01","94.77","0.01","689.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-methyl-5-nitroanilinium trichloroacetate monohydrate","","- C9 H11 Cl3 N2 O5 -","- C9 H11 Cl3 N2 O5 -","- C18 H22 Cl6 N4 O10 -","2","1","SK3318","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate","Acta Crystallographica Section C","2009","65","7","o339","o341","10.1107/S0108270109021490","","","0.71073","MoKα","","0.0764","0.0576","","","0.1186","0.1313","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017197","18.9692","0.0018","7.8092","0.0004","19.5944","0.0019","90","","112.213","0.004","90","","2687.2","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-aminopyridinium 4-aminobenzoate dihydrate","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C96 H136 N24 O32 -","8","2","SK3319","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate","Acta Crystallographica Section C","2009","65","7","o361","o364","10.1107/S0108270109021106","","","1.54178","CuKα","","0.0585","0.0548","","","0.149","0.1555","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017198","11.9645","0.0017","8.2635","0.0005","11.305","0.003","90","","111.854","0.007","90","","1037.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminopyridinium nicotinate","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","SK3319","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate","Acta Crystallographica Section C","2009","65","7","o361","o364","10.1107/S0108270109021106","","","1.54178","CuKα","","0.0634","0.0617","","","0.2173","0.2199","","","","","","1.128","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017199","27.0927","0.0008","9.6631","0.0004","14.4579","0.0006","90","","117.925","0.002","90","","3344.3","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(3,4,5-trimethoxyphenyl)-6,7-dihydro- 5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C152 H152 N8 O48 -","8","1","SK3325","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Conformational and configurational disorder in 6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one and 6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8-one: a hydrogen-bonded chain of rings and π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2009","65","7","o326","o330","10.1107/S0108270109019556","","","0.71073","MoKα","","0.0677","0.0478","","","0.1135","0.1227","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017200","12.9403","0.0004","7.131","0.0002","14.7736","0.0007","90","","103.758","0.0013","90","","1324.15","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3- dioxolo[4,5-<i>g</i>]quinolin-8-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SK3325","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Conformational and configurational disorder in 6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one and 6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinolin-8-one: a hydrogen-bonded chain of rings and π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2009","65","7","o326","o330","10.1107/S0108270109019556","","","0.71073","MoKα","","0.0863","0.0512","","","0.1136","0.1284","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017201","21.842","0.011","10.591","0.004","15.105","0.005","90","","122.317","0.015","90","","2953","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trinitratobis{<i>N</i>'-[1-(2- pyridyl)ethylidene]isonicotinohydrazide}cerium(III)","","- C26 H24 Ce N11 O11 -","- C26 H24 Ce N11 O11 -","- C104 H96 Ce4 N44 O44 -","4","0.5","SK3327","Zhang, Ying-Ying; Liu, Shi-Xiong","Trinitratobis{<i>N</i>'-[1-(2-pyridyl)ethylidene]isonicotinohydrazide}cerium(III): a three-dimensional cerium‒organic supramolecular structure","Acta Crystallographica Section C","2009","65","7","m269","m272","10.1107/S0108270109023385","","","0.71073","MoKα","","0.0268","0.025","","","0.0589","0.0598","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017202","8.0371","0.0007","5.1425","0.0004","23.994","0.002","90","","94.32","0.004","90","","988.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","25m","2,5-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0987","0.0515","","","0.1199","0.1456","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017203","7.6741","0.0005","13.7314","0.0006","10.3316","0.0008","90","","103.861","0.003","90","","1057","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","34m","3,4-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0954","0.05","","","0.1182","0.1423","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017204","8.3784","0.0005","12.6278","0.0008","9.9118","0.0005","90","","101.152","0.003","90","","1028.87","0.1","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","35m","3,5-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.0921","0.0514","","","0.1203","0.1409","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017205","13.9692","0.0005","5.0957","0.0002","15.3151","0.0008","90","","113.812","0.002","90","","997.37","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","24m","2,4-difluoro-<i>N</i>-(3-pyridyl)benzamide","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C48 H32 F8 N8 O4 -","4","1","SK3328","McMahon, Joyce; Gallagher, John F.; Anderson, Frankie P.; Lough, Alan J.","A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","Acta Crystallographica Section C","2009","65","7","o345","o351","10.1107/S010827010902215X","","","0.71073","MolybdenumKα","","0.1255","0.0557","","","0.1291","0.1696","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017206","8.1321","0.0002","10.025","0.0002","12.6802","0.0003","98.474","0.002","97.472","0.002","105.491","0.002","969.63","0.04","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Poly[hexaaquabis(μ~4~-4-carboxybenzenesulfonato- κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1''^:<i>O</i>^4^)bis(μ~3~-4- carboxybenzenesulfonato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)calcium(II)dipotassium(I)]","","- C28 H32 Ca K2 O26 S4 -","- C28 H32 Ca K2 O26 S4 -","- C28 H32 Ca K2 O26 S4 -","1","0.5","SQ3195","Prochniak, G.; Videnova-Adrabinska, V.","Poly[hexaaquabis(μ~4~-4-carboxybenzenesulfonato)bis(μ~3~-4-carboxybenzenesulfonato)calcium(II)dipotassium(I)]","Acta Crystallographica Section C","2009","65","8","m287","m290","10.1107/S0108270109021337","","","0.71073","MoKα","","0.0556","0.0375","","","0.0899","0.095","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017207","7.399","0.0015","26.328","0.005","13.214","0.003","90","","91.17","0.03","90","","2573.6","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)- 4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan- 4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","","- C29 H31 N3 O5 S -","- C29 H31 N3 O5 S -","- C116 H124 N12 O20 S4 -","4","2","SQ3199","Gainsford, Graeme J.; Mee, Simon P. H.; Luxenburger, Andreas","`Segmented' crystals solved using synchrotron radiation: (2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-4-(10,10-dimethyl-3,3-dioxo-3λ^6^-thia-4-azatricyclo[5.2.1.0^1,5^]decan-4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","Acta Crystallographica Section C","2009","65","7","o331","o334","10.1107/S0108270109020435","","","0.773","synchrotron","","0.046","0.0435","","","0.1092","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017208","12.7984","0.0005","14.8116","0.0006","7.2524","0.0003","90","","90","","90","","1374.8","0.1","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene- 1,4-diamine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","BM3080","Seidel, Rüdiger W.; Sheldrick, William S.; Kolev, Tsonko M.; Koleva, Bojidarka B.","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene-1,4-diamine: a combined X-ray and density functional theory study","Acta Crystallographica Section C","2009","65","8","o385","o387","10.1107/S0108270109025475","","","0.71073","MoKα","","0.0451","0.0301","","","0.0561","0.0582","","","","","","0.872","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017209","7.9552","0.0013","11.674","0.0019","14.05","0.002","90","","90","","90","","1304.8","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[aquacopper(II)]-μ-3-(2-pyridylmethyleneamino)propanoato- κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>'] perchlorate]","","- C9 H11 Cl Cu N2 O7 -","- C9 H11 Cl Cu N2 O7 -","- C36 H44 Cl4 Cu4 N8 O28 -","4","1","BM3081","Shi, Wen-Juan","The chiral helical structure of a copper(II) complex with a tridentate Schiff base ligand","Acta Crystallographica Section C","2009","65","8","m284","m286","10.1107/S010827010902575X","","","0.71073","MoKα","","0.064","0.054","","","0.1222","0.1289","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017210","13.495","0.003","6.5202","0.0013","14.103","0.003","90","","113.49","0.03","90","","1138.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2- aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]","","- C8 H13 Ag N4 O5 -","- C8 H13 Ag N4 O5 -","- C32 H52 Ag4 N16 O20 -","4","1","BM3083","Sun, Di; Luo, Geng-Geng; Huang, Rong-Bin; Zhang, Na; Zheng, Lan-Sun","<i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2-aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]: a one-dimensional silver(I) coordination polymer with mixed ligands","Acta Crystallographica Section C","2009","65","8","m305","m307","10.1107/S010827010902695X","","","0.71073","MoK~α~","","0.0282","0.0254","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017211","7.9755","0.0009","11.2619","0.0015","11.4848","0.0016","77.358","0.011","78.991","0.01","73.488","0.011","955.9","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride","","- C7 H24 Cl4 N4 O12 -","- C7 H24 Cl4 N4 O12 -","- C14 H48 Cl8 N8 O24 -","2","1","DN3118","Szcześniak, Hanna B.; Patroniak, Violetta; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)propane-1,3-diaminium tris(perchlorate) chloride","Acta Crystallographica Section C","2009","65","8","o371","o373","10.1107/S010827010902410X","","","0.71073","MoKα","","0.0982","0.0446","","","0.0546","0.0611","","","","","","0.897","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017212","12.9638","0.0005","6.4039","0.0002","7.3594","0.0002","90","","90.561","0.003","90","","610.94","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diaquacobalt(II)]-μ~4~-<i>p</i>-phenylenediacrylato]","","- C12 H12 Co O6 -","- C12 H12 Co O6 -","- C24 H24 Co2 O12 -","2","0.5","EG3020","Xu, Zhan-Lin; Kong, Zhi-Guo; Sun, Shu-Bo; Wang, Xiu-Yan","A new three-dimensional cobalt(II) coordination polymer with a 4-connected CdSO~4~-like topology","Acta Crystallographica Section C","2009","65","8","m273","m275","10.1107/S010827010902438X","","","0.71073","MoKα","","0.0358","0.0257","","","0.0585","0.0603","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017213","12.8368","0.0011","17.8044","0.0015","19.6735","0.0016","90","","90.2746","0.0012","90","","4496.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~.4MeCN","bis(μ-5,11,17,23-tetra-<i>tert</i>-butyl-26,28-dihydroxy-25-methoxy-27- oxidocalix[4]arene)dilithium(I) acetonitrile tetrasolvate","","- C98 H126 Li2 N4 O8 -","- C98 H126 Li2 N4 O8 -","- C196 H252 Li4 N8 O16 -","2","0.5","EG3021","Lee, Darren S.; Elsegood, Mark R. J.; Redshaw, Carl; Zhan, Shuzhong","Two related lithium calixarene complexes, [<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~·4MeCN and {<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~·8MeCN, determined using synchrotron radiation","Acta Crystallographica Section C","2009","65","8","m291","m295","10.1107/S0108270109025311","","","0.6911","synchrotron","","0.104","0.0738","","","0.2014","0.2258","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017214","12.819","0.0012","13.5649","0.0013","18.223","0.003","106.035","0.002","94.097","0.002","115.286","0.002","2687.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","{<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~.8MeCN","Tetraacetonitrilebis(μ-5,11,17,23-tetra-<i>tert</i>-butyl-26,28-dihydroxy- 25,27-dioxidocalix[4]arene)tetralithium(I) acetonitrile octasolvate","","- C112 H144 Li4 N12 O8 -","- C112 H144 Li4 N12 O8 -","- C112 H144 Li4 N12 O8 -","1","0.5","EG3021","Lee, Darren S.; Elsegood, Mark R. J.; Redshaw, Carl; Zhan, Shuzhong","Two related lithium calixarene complexes, [<i>p-tert</i>-butylcalix[4]arene(OMe)(OH)~2~(OLi)]~2~·4MeCN and {<i>p-tert</i>-butylcalix[4]arene(OH)~2~(OLi)[OLi(NCMe)~2~]}~2~·8MeCN, determined using synchrotron radiation","Acta Crystallographica Section C","2009","65","8","m291","m295","10.1107/S0108270109025311","","","0.8466","synchrotron","","0.1211","0.0647","","","0.1431","0.1717","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017215","13.766","0.004","7.721","0.002","19.031","0.005","90","","104.63","0.004","90","","1957.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[hydrotris(3,5-dimethylpyrazol-1-yl- κ<i>N</i>^2^)borato]zinc(II)","","- C17 H25 B N6 O2 Zn -","- C17 H25 B N6 O2 Zn -","- C68 H100 B4 N24 O8 Zn4 -","4","1","EG3023","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza","(Acetato-κ<i>O</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]zinc(II)","Acta Crystallographica Section C","2009","65","8","m314","m316","10.1107/S0108270109027516","","","0.71073","MoKα","","0.0379","0.033","","","0.0785","0.0809","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017216","6.986","0.004","15.553","0.009","20.06","0.012","90","","90","","90","","2180","2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","","- C25 H22 Au P S -","- C25 H22 Au P S -","- C100 H88 Au4 P4 S4 -","4","1","FA3184","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, Jr, John P.","A monomeric gold(I) carbanion complex with an uncoordinated thioether: [2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","Acta Crystallographica Section C","2009","65","8","m299","m301","10.1107/S0108270109017831","","","0.71073","MoKα","","0.0461","0.0419","","","0.0954","0.0985","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017217","12.693","0.004","5.509","0.003","11.576","0.004","90","","115.8","0.03","90","","728.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diaminomethylene)thiouron-1-ium formate","","- C3 H8 N4 O2 S -","- C3 H8 N4 O2 S -","- C12 H32 N16 O8 S4 -","4","1","FA3194","Hołyńska, Małgorzata; Kubiak, Maria","Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU)","Acta Crystallographica Section C","2009","65","8","o410","o413","10.1107/S0108270109026390","","","0.71073","MoKα","","0.078","0.0453","","","0.0969","0.1076","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017218","7.006","0.003","7.221","0.003","7.837","0.003","111.89","0.03","90.82","0.03","91.02","0.03","367.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[1-(diaminomethylene)thiouron-1-ium] oxalate dihydrate","","- C6 H18 N8 O6 S2 -","- C6 H18 N8 O6 S2 -","- C6 H18 N8 O6 S2 -","1","0.5","FA3194","Hołyńska, Małgorzata; Kubiak, Maria","Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU)","Acta Crystallographica Section C","2009","65","8","o410","o413","10.1107/S0108270109026390","","","0.71073","MoKα","","0.0327","0.0268","","","0.075","0.0774","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017219","8.893","0.001","11.1321","0.0012","10.2078","0.0009","90","","109.749","0.007","90","","951.11","0.18","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Benzyl-3-<i>tert</i>-butyl-1-phenyl-6,7-dihydro-1<i>H</i>,4<i>H</i>-\ pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0718","0.0434","","","0.0891","0.1027","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017220","8.95","0.0007","11.2146","0.001","10.0768","0.0009","90","","107.572","0.005","90","","964.22","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(4-methylbenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H27 N3 O -","- C23 H27 N3 O -","- C46 H54 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.12","0.0522","","","0.1165","0.1492","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017221","9.1888","0.0002","11.4499","0.0003","9.721","0.0002","90","","101.857","0.001","90","","1000.93","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(4-methoxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0431","0.0384","","","0.0818","0.0845","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017222","9.0277","0.0011","9.8597","0.0012","12.6835","0.0018","85.531","0.011","74.18","0.011","67.162","0.009","1000.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-phenyl-7-[4-(trifluoromethyl)benzyl]-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H24 F3 N3 O -","- C23 H24 F3 N3 O -","- C46 H48 F6 N6 O2 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.156","0.0609","","","0.1378","0.1829","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017223","19.164","0.002","8.7781","0.0007","11.7188","0.0012","90","","101.717","0.01","90","","1930.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(4-nitrobenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C22 H24 N4 O3 -","- C22 H24 N4 O3 -","- C88 H96 N16 O12 -","4","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.1012","0.0498","","","0.0964","0.1156","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017224","8.8268","0.001","11.6521","0.001","10.3831","0.0007","90","","93.747","0.009","90","","1065.63","0.17","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-butyl-7-(2,3-dimethoxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C24 H29 N3 O3 -","- C24 H29 N3 O3 -","- C48 H58 N6 O6 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.0619","0.0443","","","0.1001","0.1115","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017225","9.1164","0.0014","11.3303","0.0018","19.694","0.002","90","","99.775","0.013","90","","2004.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-butyl-7-(3,4-methylenedioxybenzyl)-1-phenyl-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C92 H100 N12 O12 -","4","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.1359","0.0693","","","0.1366","0.1652","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017226","9.8189","0.001","10.0499","0.0008","12.813","0.0014","68.71","0.009","72.537","0.008","70.982","0.008","1089.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)-6,7-dihydro- 1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>d</i>][1,3]oxazine","","- C25 H31 N3 O4 -","- C25 H31 N3 O4 -","- C50 H62 N6 O8 -","2","1","FA3197","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Eight 7-benzyl-3-<i>tert</i>-butyl-1-phenylpyrazolo[3,4-<i>d</i>]oxazines, encompassing structures containing no intermolecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions","Acta Crystallographica Section C","2009","65","8","o423","o430","10.1107/S0108270109028017","","","0.71073","MoKα","","0.072","0.0468","","","0.1068","0.12","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017227","19.559","0.003","5.2321","0.0008","19.871","0.003","90","","90","","90","","2033.5","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1-<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C15 H10 N2 -","- C15 H10 N2 -","- C120 H80 N16 -","8","2","FG3095","Stibrany, Robert T.; Potenza, Joseph A.","Structures of 1-hydrophenanthroimidazoles: building blocks in the synthesis of expanded-ring bis(imidazoles)","Acta Crystallographica Section C","2009","65","8","o406","o409","10.1107/S0108270109025165","","","0.71073","MoKα","","0.0515","0.0433","","","0.1075","0.1123","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017228","8.415","0.002","10.139","0.002","17.227","0.004","101.683","0.004","101.398","0.005","104.109","0.005","1347.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3,6-dibromo-1-<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole hemihydrate","","- C15 H9 Br2 N2 O0.5 -","- C15 H9 Br2 N2 O0.5 -","- C60 H36 Br8 N8 O2 -","4","2","FG3095","Stibrany, Robert T.; Potenza, Joseph A.","Structures of 1-hydrophenanthroimidazoles: building blocks in the synthesis of expanded-ring bis(imidazoles)","Acta Crystallographica Section C","2009","65","8","o406","o409","10.1107/S0108270109025165","","","0.71073","MoKα","","0.0759","0.0472","","","0.1183","0.1278","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017229","15.83","0.001","8.1176","0.0005","13.8319","0.0009","90","","122.013","0.001","90","","1507.13","0.17","173","2","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Diaquatetrakis(<i>tert</i>-butyl isocyanide)cobalt(II) bis(perchlorate)","","- C20 H40 Cl2 Co N4 O10 -","- C20 H40 Cl2 Co N4 O10 -","- C40 H80 Cl4 Co2 N8 O20 -","2","0.25","FG3104","Becker, Clifford A. L.; Forbes, Roy P.; Black, Robert S.","Diaquatetrakis(<i>tert</i>-butyl isocyanide)cobalt(II) bis(perchlorate): an example of cobalt(II) coordinated by only four alkyl isocyanide ligands","Acta Crystallographica Section C","2009","65","8","m302","m304","10.1107/S0108270109024500","","","0.71073","MoKα","","","0.0394","","","","0.1059","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017230","12.498","0.003","20.899","0.004","10.43","0.002","90","","90","","90","","2724.3","1","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine- 3-carboxamide-κ<i>N</i>^1^)copper(II)","","- C10 H14 Cu N2 O8 -","- C10 H14 Cu N2 O8 -","- C80 H112 Cu8 N16 O64 -","8","1","FG3105","Perec, Mireille; Baggio, Ricardo","Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2009","65","8","m296","m298","10.1107/S0108270109025293","","","0.71073","MoKα","","0.0493","0.0407","","","0.1103","0.1185","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017231","15.5708","0.0013","6.5334","0.0005","29.437","0.002","90","","110.333","0.005","90","","2808","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato- κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate","","- C11 H13 Cu N3 O5.87 -","- C11 H13 Cu N3 O5.8655 -","- C88 H104 Cu8 N24 O46.924 -","8","2","FG3110","Chamayou, Anne-Christine; Biswas, Chaitali; Ghosh, Ashutosh; Janiak, Christoph","(Acetato-κ<i>O</i>)aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II) 0.87-hydrate: a <i>Z</i>' <b>></b> 1 structure","Acta Crystallographica Section C","2009","65","8","m311","m313","10.1107/S0108270109028005","","","0.71073","MoKα","","0.0536","0.0345","","","0.0872","0.0962","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017232","12.5225","0.0001","12.5225","0.0001","6.6809","0.0001","90","","90","","120","","907.293","0.017","150","2","150","2","","","","","","","","4","P 31","P 31","144","Triclosan","5-chloro-2-(2,4-dichlorophenoxy)phenol","","- C12 H7 Cl3 O2 -","- C12 H7 Cl3 O2 -","- C36 H21 Cl9 O6 -","3","1","FG3111","Ramos, Ana I.; Braga, Susana S.; Almeida Paz, Filipe A.","Triclosan","Acta Crystallographica Section C","2009","65","8","o404","o405","10.1107/S0108270109026511","","","0.71073","MoKα","","0.0623","0.0374","","","0.0637","0.0698","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017233","6.9113","0.0002","33.447","0.0009","8.0716","0.0002","90","","99.778","0.003","90","","1838.74","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","codeine hydrogen dihydrogen phosphate hemihydrate","(5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate hemihydrate","","- C18 H25 N O7.5 P -","- C18 H25 N O7.5 P -","- C72 H100 N4 O30 P4 -","4","2","FG3114","Langes, Christoph; Gelbrich, Thomas; Griesser, Ulrich J.; Kahlenberg, Volker","Codeine dihydrogen phosphate hemihydrate","Acta Crystallographica Section C","2009","65","8","o419","o422","10.1107/S0108270109027164","","","0.71073","MoKα","","0.0496","0.0455","","","0.113","0.1148","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017234","15.3053","0.0007","15.3053","0.0007","43.672","0.003","90","","90","","120","","8859.7","0.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Sodium manganese phosphate","Sodium manganese phosphate","","- Mn45.31 Na14.11 O144 P36 -","- Mn45.314 Na14.1 O144 P36 -","- Mn135.942 Na42.3 O432 P108 -","3","0.166667","FN3021","Hatert, Frédéric; Keller, Paul; Lissner, Falk; Schleid, Thomas","Na~10~(Na,Mn)~7~Mn~43~(PO~4~)~36~: a new synthetic fillowite-type phosphate","Acta Crystallographica Section C","2009","65","8","i52","i53","10.1107/S0108270109027188","","","0.71073","MoKα","","0.0802","0.0384","","","0.0729","0.0811","","","","","","0.857","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017235","8.7778","0.0018","10.26","0.002","12.882","0.003","69.08","0.03","87.1","0.03","74.26","0.03","1041.7","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","acetato[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine]zinc(II) 4,4',6,6'-tetrahydroxy-2,2'-spirobi[cyclotriboroxane](1-)","","- C8 H25 B5 N4 O12 Zn -","- C8 H25 B5 N4 O11.99 Zn -","- C16 H50 B10 N8 O23.98 Zn2 -","2","1","FN3025","Wu, Shu-Li; Liu, Huan-Xin; Jiang, Xiao; Shao, Zhi-Dong; Liang, Yun-Xiao","A novel metallo-organically templated pentaborate: acetato[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine]zinc(II) 4,4',6,6'-tetrahydroxy-2,2'-spirobi[cyclotriboroxane](1{-})","Acta Crystallographica Section C","2009","65","8","m308","m310","10.1107/S0108270109024445","","","0.71073","MoKα","","0.0398","0.0309","","","0.0752","0.0801","","","","","","1.042","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017236","10.5348","0.0002","11.6175","0.0003","13.5918","0.0004","88.768","0.002","79.582","0.002","76.594","0.002","1591.11","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'- dimethanol-1κ<i>O</i>,2κ<i>O</i>-bis{μ-2-[(2<i>E</i>,3<i>Z</i>)-4-oxidopent- 3-en-2-ylideneamino]phenolato}-1:2κ^4^<i>O</i>^2^,<i>N</i>, <i>O</i>^4^:<i>O</i>^4^;2:3κ^4^<i>O</i>^4^:<i>O</i>^2^,<i>N</i>, <i>O</i>^4^-trizinc(II)","","- C28 H36 N2 O10 Zn3 -","- C28 H36 N2 O10 Zn3 -","- C56 H72 N4 O20 Zn6 -","2","1","FN3029","Munro, Orde Q.; Gillham, Kate; Akerman, Matthew P.","A novel trinuclear zinc(II) cluster with a tetrahedral ZnO~4~ core","Acta Crystallographica Section C","2009","65","8","m317","m320","10.1107/S0108270109027735","","","0.71073","MoKα","","0.0642","0.0361","","","0.0841","0.0963","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017237","14.902","0.004","8.969","0.002","18.434","0.005","90","","112.397","0.009","90","","2278","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]- μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","","- C23 H28 Co N2 O4 -","- C23 H28 Co N2 O4 -","- C92 H112 Co4 N8 O16 -","4","0.5","GA3125","Lennartson, Anders; Håkansson, Mikael","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']: a one-dimensional coordination polymer capable of forming clathrates with prochiral aldehydes","Acta Crystallographica Section C","2009","65","8","m325","m327","10.1107/S0108270109027589","","","0.71073","MoKα","","0.0425","0.0371","","","0.1129","0.1177","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017238","8.8759","0.0018","10.72","0.002","14.137","0.003","73.07","0.03","86.87","0.03","65.61","0.03","1168.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[3,5-DBr-2,6-DAPyH]2.CdBr4","bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidocadmate(II)","","- C10 H12 Br8 Cd N6 -","- C10 H12 Br8 Cd N6 -","- C20 H24 Br16 Cd2 N12 -","2","1","GA3128","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^","Acta Crystallographica Section C","2009","65","8","m321","m324","10.1107/S0108270109028571","","","0.71073","MoKα","","0.0496","0.0343","","","0.0761","0.0817","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017239","8.8776","0.0019","10.705","0.002","13.962","0.003","72.757","0.004","86.692","0.004","66.159","0.004","1156.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[3,5-DBr-2,6-DAPyH]2.MnBr4","bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidomanganate(II)","","- C10 H12 Br8 Mn N6 -","- C10 H12 Br8 Mn N6 -","- C20 H24 Br16 Mn2 N12 -","2","1","GA3128","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three-dimensional framework structures: isomorphous bis(2,6-diamino-3,5-dibromopyridinium) tetrabromidometallate(II) salts with Cd^II^ and Mn^II^","Acta Crystallographica Section C","2009","65","8","m321","m324","10.1107/S0108270109028571","","","0.71073","MoKα","","0.0533","0.0357","","","0.0823","0.0891","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017240","5.0961","0.0007","25.084","0.0019","8.0217","0.0006","90","","104.637","0.008","90","","992.14","0.18","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Cl O3 -","- C10 H11 Cl O3 -","- C40 H44 Cl4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0401","0.0353","","","0.0775","0.08","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017241","5.0911","0.0008","25.4143","0.0018","8.0469","0.0005","90","","104.69","0.009","90","","1007.13","0.19","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Br O3 -","- C10 H11 Br O3 -","- C40 H44 Br4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0183","0.0178","","","0.0473","0.0475","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017242","11.4093","0.0011","11.3589","0.0011","24.176","0.002","90","","101.861","0.002","90","","3066.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-Diselenodibenzyl bromide","bis[2-(bromomethyl)phenyl] diselenide","","- C14 H12 Br2 Se2 -","- C14 H12 Br2 Se2 -","- C112 H96 Br16 Se16 -","8","1","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0709","0.0393","","","0.0725","0.0817","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017243","7.916","0.0002","8.0215","0.0001","23.4689","0.0004","98.388","0.001","95.287","0.001","90.61","0.001","1467.58","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2,2'-Diselenodibenzyl chloride","bis[2-(chloromethyl)phenyl] diselenide","","- C14 H12 Cl2 Se2 -","- C14 H12 Cl2 Se2 -","- C56 H48 Cl8 Se8 -","4","2","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0936","0.0501","","","0.0854","0.0998","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017244","8.4461","0.0002","8.9003","0.0003","9.7427","0.0003","72.904","0.001","78.95","0.001","76.978","0.001","675.81","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2,2'-(diselenodi-<i>o</i>phenylene)dimethanol","2,2'-(diselenodi-<i>o</i>phenylene)dimethanol","","- C14 H14 O2 Se2 -","- C14 H14 O2 Se2 -","- C28 H28 O4 Se4 -","2","1","GD3293","Lari, Alberth; Rominger, Frank; Gleiter, Rolf","Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide","Acta Crystallographica Section C","2009","65","8","o400","o403","10.1107/S0108270109025682","","","0.71073","MoKα","","0.0316","0.0259","","","0.069","0.071","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017245","10.521","0.002","19.769","0.004","9.056","0.002","90","","111.49","0.03","90","","1752.6","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1042","0.0426","","","0.0778","0.0899","","","","","","0.878","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017246","9.111","0.002","18.83","0.004","23.754","0.005","90","","90","","90","","4075.2","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole acetonitrile solvate","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C184 H144 N32 O16 -","8","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1536","0.0469","","","0.086","0.1058","","","","","","0.814","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017247","11.728","0.002","11.365","0.002","29.241","0.006","90","","94.62","0.02","90","","3884.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole methanol solvate","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C176 H152 N24 O24 -","8","2","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.2084","0.0673","","","0.1269","0.1564","","","","","","0.876","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017248","5.813","0.001","15.003","0.003","23.243","0.005","90","","95.48","0.003","90","","2017.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole methanol solvate","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1466","0.0587","","","0.1245","0.1503","","","","","","0.911","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017249","16.242","0.003","9.583","0.002","11.615","0.002","90","","94.36","0.02","90","","1802.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-2-(3-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1032","0.0564","","","0.1385","0.1538","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017250","11.855","0.002","12.384","0.002","14.791","0.003","111.95","0.03","99.56","0.03","109.63","0.03","1788.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-methyl-2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","2","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.0812","0.0437","","","0.1165","0.1303","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017251","11.9829","0.0006","12.4737","0.0006","14.4368","0.0007","77.378","0.001","70.132","0.001","86.305","0.001","1980.28","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","<i>catena</i>-poly[dipotassium(I) [bis(2,2'-bipyridine)di-μ~3~-trifluoroacetato-dodeca-μ~2~-trifluoroacetato-\ diplatinum(II)octasilver(I)]]","","- C48 H16 Ag8 F42 K2 N4 O28 Pt2 -","- C48 H16 Ag8 F42.006 K2 N4 O28 Pt2 -","- C48 H16 Ag8 F42.006 K2 N4 O28 Pt2 -","1","0.5","GZ3165","Hudson, Zachary M.; Sun, Yi; Ross, Bryan; Wang, Rui-Yao; Wang, Suning","The anionic coordination polymer {K~2~[Pt^II^~2~Ag^I^~8~(2,2'-bipyridine)~2~(O~2~CCF~3~)~14~]}~<i>n~</i>","Acta Crystallographica Section C","2009","65","8","m328","m330","10.1107/S010827010902839X","","","0.71073","MoKα","","0.027","0.0242","","","0.0565","0.0578","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017252","4.9343","0.001","6.8918","0.0014","11.342","0.002","81.943","0.003","85.847","0.003","86.529","0.003","380.39","0.13","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ia","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0444","0.0337","","","0.0789","0.0854","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017253","4.8848","0.0012","6.8723","0.0016","11.259","0.003","82.261","0.003","84.711","0.003","85.64","0.003","372.15","0.16","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","Ib","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0486","0.0409","","","0.1143","0.1215","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017254","4.8641","0.0012","5.738","0.0014","13.325","0.003","82.814","0.003","87.274","0.003","86.435","0.004","367.97","0.15","173","0.1","173","2","","","","","","","","4","P 1","P 1","1","II","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0739","0.0537","","","0.126","0.138","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017255","4.9215","0.0018","6.871","0.003","11.314","0.004","81.973","0.005","85.839","0.005","86.562","0.005","377.4","0.3","283","0.1","283","0.1","","","","","","","","4","P 1","P 1","1","Ic","2,2,3,3,4,4-hexafluoropentane-1,5-diol","","- C5 H6 F6 O2 -","- C5 H6 F6 O2 -","- C10 H12 F12 O4 -","2","2","GZ3166","Ha, Jeong-Myeong; Young, Victor","Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol","Acta Crystallographica Section C","2009","65","8","o388","o395","10.1107/S0108270109025141","","","0.71073","MoKα","","0.0797","0.0489","","","0.1141","0.1291","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017256","5.6645","0.0002","9.4282","0.0006","10.7437","0.0005","91.907","0.004","95.553","0.003","102.426","0.004","556.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-cyclohexane-1,4-carboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^)manganese(II)]","","- C22 H28 Mn N4 O6 -","- C22 H28 Mn N4 O6 -","- C22 H28 Mn N4 O6 -","1","0.5","SK3329","Wang, Qing-Wei; Wang, Xiu-Yan; Wang, Ming; Li, Bing-Yang; Ma, Xiao-Yuan","Poly[diaqua[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-<i>trans</i>-cyclohexane-1,4-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)manganese(II)]: a three-dimensional hydrogen-bonding α-polonium net","Acta Crystallographica Section C","2009","65","8","m276","m278","10.1107/S0108270109022331","","","0.71073","MoKα","","0.0413","0.0313","","","0.073","0.0756","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017257","8.593","0.002","9.761","0.002","10.054","0.003","93.32","0.02","114.45","0.03","113.75","0.03","676.6","0.4","299","2","299","2","","","","","","","","4","P 1","P 1","1","","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","2","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.0735","0.0609","","","0.1567","0.1702","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017258","8.981","0.003","24.056","0.008","10.895","0.003","90","","90","","90","","2353.8","1.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.123","0.0629","","","0.1285","0.1584","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017259","14.361","0.0016","8.0094","0.0007","13.0715","0.0014","90","","111.301","0.002","90","","1400.8","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloroanilinium hydrogen phthalate","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C56 H48 Cl4 N4 O16 -","4","1","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0584","0.0423","","","0.121","0.1333","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017260","12.7082","0.0004","14.4422","0.0005","14.3394","0.0004","90","","105.287","0.002","90","","2538.65","0.14","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxyanilinium hydrogen phthalate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","2","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0795","0.0449","","","0.112","0.1318","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017261","5.8924","0.0003","8.1467","0.0004","25.6509","0.0015","90","","95.984","0.002","90","","1224.63","0.11","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxyanilinium hydrogen phthalate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","SK3331","Jagan, R.; Sivakumar, K.","N—H···O and O—H···O hydrogen-bonded supramolecular networks in 4-chloroanilinium, 2-hydroxyanilinium and 3-hydroxyanilinium hydrogen phthalates","Acta Crystallographica Section C","2009","65","8","o414","o418","10.1107/S0108270109025724","","","0.71073","MoKα","","0.0576","0.0434","","","0.1074","0.1169","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017262","8.4158","0.0017","14.779","0.003","10.438","0.002","90","","110.58","0.03","90","","1215.4","0.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'- (<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.1301","0.08","","","0.1179","0.1338","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017263","9.7566","0.0005","12.7626","0.0006","9.3138","0.0004","90","","90","","90","","1159.75","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","0.5","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0507","0.0365","","","0.0938","0.1017","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017264","9.2208","0.0013","12.6517","0.0019","9.6894","0.0015","90","","92.123","0.002","90","","1129.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3'-[1,4-phenylene-bis-(methylene)]-bis-[6-(chloromethyl)- 1,4-dimethyl-2,5-piperazinedione]","","- C22 H28 Cl2 N4 O4 -","- C22 H28 Cl2 N4 O4 -","- C44 H56 Cl4 N8 O8 -","2","1","SK3332","Polaske, Nathan W.; Nichol, Gary S.; Olenyuk, Bogdan","Polymorphism and phase transition behavior of 6,6'-bis(chloromethyl)-1,1',4,4'-tetramethyl-3,3'-(<i>p</i>-phenylenedimethylene)bis(piperazine-2,5-dione)","Acta Crystallographica Section C","2009","65","8","o381","o384","10.1107/S0108270109024457","","","0.71073","MoKα","","0.0424","0.0349","","","0.0808","0.0847","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017265","6.257","0.0005","6.257","0.0005","13.4","0.002","90","","90","","90","","524.61","0.1","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","vanadophosphate dihydrate","poly[diaqua-μ-oxido-μ-phosphato-hemiocobalt(II)vanadium(II)]","","- Co0.5 H4 O7 P V -","- Co0.5 H4 O7 P V -","- Co2 H16 O28 P4 V4 -","4","0.25","SQ3194","Meng, Lianxia; Ma, Yuping; Zhang, Xiaoliang; Xu, Yan","Co~0.50~VOPO~4~·2H~2~O","Acta Crystallographica Section C","2009","65","8","i45","i47","10.1107/S010827010902397X","","","0.71073","MoKα","","0.0172","0.0172","","","0.0399","0.0399","","","","","","1.202","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017267","5.7924","0.0004","6.1663","0.0004","8.0748","0.0005","90","","92.21","0.005","90","","288.2","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","distrontium hexahydroxidocuprate(II)","distrontium hexahydroxidocuprate(II)","","- Cu H6 O6 Sr2 -","- Cu H6 O6 Sr2 -","- Cu2 H12 O12 Sr4 -","2","0.5","SQ3197","Šutović, Sabina; Karanović, Ljiljana; Poleti, Dejan","Reinvestigation of Sr~2~[Cu(OH)~6~]","Acta Crystallographica Section C","2009","65","8","i48","i51","10.1107/S0108270109021519","","","0.71069","MoKα","","0.0296","0.0236","","","0.0464","0.0472","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017268","5.9697","0.0005","6.841","0.0005","9.9092","0.0008","86.184","0.002","87.3","0.002","84.293","0.002","401.45","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>trans</i>-tetraamminedibromidochromium(III) <i>trans</i>-diamminetetrabromidochromate(III)","","- Br6 Cr2 H18 N6 -","- Br6 Cr2 H18 N6 -","- Br6 Cr2 H18 N6 -","1","0.5","SQ3202","Stork, Ludwig; Liu, Xiaohui; Fokwa, Boniface P. T.; Dronskowski, Richard","[CrBr~2~(NH~3~)~4~][CrBr~4~(NH~3~)~2~], a new chromium(III) complex","Acta Crystallographica Section C","2009","65","8","i54","i56","10.1107/S0108270109027218","","","0.71073","MoKα","","0.0301","0.0254","","","0.0593","0.0605","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017269","24.155","0.003","10.583","0.0007","18.712","0.003","90","","105.743","0.01","90","","4604","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-Fluorophenyl)-6-(1<i>H</i>-indol-1-yl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","","- C28 H18 F N5 -","- C28 H18 F N5 -","- C224 H144 F8 N40 -","8","1","SU3034","Quiroga, Jairo; Sánchez, Ana; Cobo, Justo; Glidewell, Christopher","4-(2-Fluorophenyl)-6-(1<i>H</i>-indol-1-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile: a chain of rings built from N—H···N, C—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2009","65","8","o374","o376","10.1107/S0108270109025566","","","0.71073","MoKα","","0.113","0.0687","","","0.1803","0.2109","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017270","13.2423","0.0002","35.3359","0.0007","8.7298","0.0001","90","","90","","90","","4084.92","0.11","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C128 H192 Cl32 Cu8 N16 -","8","0.5","SU3035","Bond, Marcus R.","Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type","Acta Crystallographica Section C","2009","65","8","m279","m283","10.1107/S0108270109023968","","","0.71073","MoKα","","0.0517","0.0342","","","0.0793","0.0869","","","","","","1.032","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017271","17.8882","0.0004","14.8736","0.0003","8.3772","0.0001","90","","96.854","0.001","90","","2212.93","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II)","","- C16 H24 Br4 Cu N2 -","- C16 H24 Br4 Cu N2 -","- C64 H96 Br16 Cu4 N8 -","4","1","SU3035","Bond, Marcus R.","Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type","Acta Crystallographica Section C","2009","65","8","m279","m283","10.1107/S0108270109023968","","","0.71073","MoKα","","0.07","0.0385","","","0.0811","0.0897","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017272","9.158","0.002","12.178","0.003","11.103","0.002","90","","105.207","0.018","90","","1194.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3<i>H</i>)-one","","- C12 H13 N5 O3 -","- C12 H13 N5 O3 -","- C48 H52 N20 O12 -","4","1","DN3119","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","2-Amino-3-methyl-6-[methyl(phenyl)amino]-5-nitropyrimidin-4(3<i>H</i>)-one: polarized molecules within hydrogen-bonded sheets","Acta Crystallographica Section C","2009","65","9","o441","o443","10.1107/S010827010902887X","","","0.71073","MoKα","","0.0915","0.0503","","","0.1268","0.1538","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017273","8.7606","0.0007","11.8494","0.001","17.0002","0.0012","90","","90","","90","","1764.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C80 H72 Cl4 N12 O4 -","4","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(<i>S</i>/<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0315","","","","0.0786","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017274","11.2728","0.0007","5.7612","0.0004","13.3573","0.0009","90","","90.171","0.004","90","","867.48","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(<i>S</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C40 H36 Cl2 N6 O2 -","2","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(<i>S</i>/<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0362","","","","0.0867","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017275","19.136","0.003","8.6409","0.0012","13.5549","0.0018","90","","109.172","0.002","90","","2117","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lamotrigine","6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine","","- C9 H7 Cl2 N5 -","- C9 H7 Cl2 N5 -","- C72 H56 Cl16 N40 -","8","1","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.0292","0.0281","","","0.0807","0.0818","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017276","16.664","0.005","5.5139","0.0017","13.392","0.004","90","","102.588","0.005","90","","1200.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lamotriginium chloride","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium chloride","","- C9 H8 Cl3 N5 -","- C9 H8 Cl3 N5 -","- C36 H32 Cl12 N20 -","4","1","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.064","0.0466","","","0.1118","0.1235","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017277","7.1356","0.0009","13.3711","0.0017","14.0294","0.0018","88.285","0.002","85.502","0.002","75.516","0.002","1291.9","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium nitrate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium nitrate","","- C9 H8 Cl2 N6 O3 -","- C9 H8 Cl2 N6 O3 -","- C36 H32 Cl8 N24 O12 -","4","2","DN3123","Sridhar, Balasubramanian; Ravikumar, Krishnan","Lamotrigine, an antiepileptic drug, and its chloride and nitrate salts","Acta Crystallographica Section C","2009","65","9","o460","o464","10.1107/S0108270109030960","","","0.71073","MoKα","","0.08","0.0674","","","0.1757","0.1841","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017278","9.2907","0.0011","10.872","0.0009","13.4523","0.0013","90","","95.964","0.008","90","","1351.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-7-chloro-2-<i>exo</i>-(2-chloro-6-fluorophenyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H12 Cl2 F N O -","- C16 H12 Cl2 F N O -","- C64 H48 Cl8 F4 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.1235","0.0485","","","0.094","0.1207","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017279","9.0768","0.0013","10.9461","0.0009","12.9971","0.0018","90","","99.768","0.009","90","","1272.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-2-<i>exo</i>-(2-Chloro-6-fluorophenyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H13 Cl F N O -","- C16 H13 Cl F N O -","- C64 H52 Cl4 F4 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.0767","0.047","","","0.1168","0.1368","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017280","9.7687","0.0009","10.3022","0.0017","14.239","0.002","90","","108.222","0.01","90","","1361.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-7-methyl-2-<i>exo</i>-(4-methylphenyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.1346","0.0626","","","0.1082","0.1353","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017281","8.8558","0.0019","7.3585","0.0013","9.9622","0.0018","90","","101.622","0.017","90","","635.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-<i>exo</i>-(2-Chlorophenyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C32 H28 Cl2 N2 O2 -","2","1","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.0573","0.0383","","","0.0716","0.0782","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017282","8.715","0.0009","10.406","0.002","15.312","0.004","99.547","0.019","90.621","0.014","96.514","0.013","1359.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","2","FA3200","Gómez, Sandra L.; Sanabria, Carlos M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2009","65","9","o465","o469","10.1107/S0108270109030339","","","0.71073","MoKα","","0.164","0.1126","","","0.2829","0.3083","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017283","13.0407","0.0016","8.0578","0.0015","13.383","0.002","90","","115.726","0.016","90","","1266.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[{μ~3~-2,2'-[(2-methyl-2-nitropropane-1,3- diyl)diimino]diacetato}copper(II)‒methanol‒water (1/0.45/0.55)","","- C8.45 H15.9 Cu N3 O7 -","- C8.45 H14 Cu N3 O7 -","- C33.8 H56 Cu4 N12 O28 -","4","1","FG3106","Munro, Orde Q.; Akerman, Matthew P.; Gillham, Kate","A bis(amine‒carboxylate) copper(II) coordination compound forms a two-dimensional metal‒organic framework when crystallized from water and methanol","Acta Crystallographica Section C","2009","65","9","m343","m346","10.1107/S010827010903128X","","","0.71073","MoKα","","0.0378","0.0272","","","0.0825","0.0847","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017284","20.3572","0.001","11.3133","0.0005","7.8904","0.0004","90","","90","","90","","1817.22","0.15","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","","- C14 H24 Ag N5 O5 -","- C14 H24 Ag N5 O5 -","- C56 H96 Ag4 N20 O20 -","4","0.5","FG3107","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","Acta Crystallographica Section C","2009","65","9","m352","m354","10.1107/S0108270109030509","","","0.71073","MoKα","","0.0534","0.0327","","","0.058","0.0638","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017285","6.8793","0.0017","7.644","0.002","8.026","0.003","101.51","0.02","112.03","0.02","92.82","0.03","379.8","0.2","167","2","167","2","","","","","","","","4","P -1","-P 1","2","cobalt(II) fumarate trihydrate","Poly[triaqua-μ~4~-fumarato-cobalt(II)]","","- C4 H8 Co O7 -","- C4 H8 Co O7 -","- C8 H16 Co2 O14 -","2","1","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0661","0.0377","","","0.0817","0.091","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017286","15.547","0.004","7.02","0.002","8.227","0.0013","90","","115.73","0.02","90","","808.9","0.4","165","2","165","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt(II) fumarate methanol disolvate","poly[μ~4~-fumarato-dimethanolcobalt(II)]","","- C6 H10 Co O6 -","- C6 H10 Co O6 -","- C24 H40 Co4 O24 -","4","0.5","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0282","0.0226","","","0.0581","0.0608","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017287","5.2561","0.0011","13.145","0.002","13.321","0.003","90","","95.188","0.016","90","","916.6","0.3","166","2","166","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt(II) fumarate pentahydrate","<i>catena</i>-poly[[[tetraaquacobalt(II)]-μ~2~-fumarato] monohydrate]","","- C4 H12 Co O9 -","- C4 H12 Co O9 -","- C16 H48 Co4 O36 -","4","0.5","FG3108","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate","Acta Crystallographica Section C","2009","65","9","m347","m351","10.1107/S0108270109030510","","","0.71073","MoKα","","0.0188","0.0181","","","0.0487","0.0489","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017288","31.212","0.003","11.3211","0.0009","15.114","0.0013","90","","90","","90","","5340.6","0.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di- μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","","- C51 H46 O P2 S10 W Zn -","- C51 H46 O P2 S10 W Zn -","- C204 H184 O4 P8 S40 W4 Zn4 -","4","1","FG3117","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di-μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","Acta Crystallographica Section C","2009","65","9","m331","m332","10.1107/S0108270109029072","","","0.71073","MoKα","","0.064","0.0542","","","0.0974","0.1004","","","","","","1.247","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017289","20.9613","0.0013","9.3021","0.0005","13.379","0.0008","90","","100.399","0.001","90","","2565.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-dithiodibenzoic acid‒1,3-di-4-pyridylpropane (1/1)","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","FG3122","Wang, Li-Li; Chang, Hong; Yang, En-Cui","Hydrogen-bonded zigzag chains in 2,2'-dithiodibenzoic acid‒1,3-di-4-pyridylpropane (1/1)","Acta Crystallographica Section C","2009","65","9","o492","o494","10.1107/S010827010903340X","","","0.71073","MoKα","","0.055","0.0346","","","0.0956","0.1172","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017290","17.0142","0.0013","5.9064","0.0004","19.9254","0.0015","90","","94.228","0.001","90","","1996.9","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium) 2,2'-dithiodibenzoate","","- C20 H18 N4 O4 S2 -","- C20 H18 N4 O4 S2 -","- C80 H72 N16 O16 S8 -","4","0.5","FG3123","Wei, Linheng; Wang, Ziliang; Meng, Xianggao","Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","Acta Crystallographica Section C","2009","65","9","o453","o456","10.1107/S0108270109030686","","","0.71073","Mokα","","0.0644","0.0461","","","0.119","0.1285","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017291","8.2486","0.0005","10.1528","0.0006","11.3724","0.0007","70.359","0.001","82.112","0.002","81.285","0.001","882.81","0.09","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C36 H32 N4 O8 S4 -","2","1","FG3123","Wei, Linheng; Wang, Ziliang; Meng, Xianggao","Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate","Acta Crystallographica Section C","2009","65","9","o453","o456","10.1107/S0108270109030686","","","0.71073","Mokα","","0.0498","0.0413","","","0.1177","0.1357","","","","","","1.125","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017292","7.4307","0.0008","10.8485","0.0011","13.5487","0.0014","74.685","0.002","85.084","0.002","88.818","0.002","1049.52","0.19","187","2","187","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[diaquasilver(I)] [bis[aquacopper(II)]-μ-pyridine-2,5-dicarboxylato- 2:1κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^,<i>O</i>^5'^- μ~3~-pyridine-2,5-dicarboxylato- 2':1:1'κ^5^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^- disilver(I)-μ~3~-pyridine-2,5-dicarboxylato- 1:1':2''κ^5^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^:<i>N</i>,<i>O</i>^2^- μ-pyridine-2,5-dicarboxylato- 1':2'''κ^4^<i>O</i>^5^,<i>O</i>^5'^:<i>N</i>,<i>O</i>^2^] hexahydrate]","","- C14 H18 Ag2 Cu N2 O14 -","- C14 H18 Ag2 Cu N2 O14 -","- C28 H36 Ag4 Cu2 N4 O28 -","2","1","FN3027","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing mixed-metal coordination polymers from copper(II)‒pyridinedicarboxylate metalloligands","Acta Crystallographica Section C","2009","65","9","m333","m336","10.1107/S010827010902890X","","","0.71073","MoKα","","0.0515","0.0386","","","0.0914","0.097","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017293","9.2322","0.0003","9.2322","0.0003","12.0541","0.0005","90","","90","","120","","889.77","0.06","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Lithium Carnallite","Lithium magnesium chloride heptahydrate","","- Cl3 H14 Li Mg O7 -","- Cl3 H14.01 Li Mg O7 -","- Cl9 H42.03 Li3 Mg3 O21 -","3","0.333333","FN3030","Schmidt, Horst; Euler, Bernhard; Voigt, Wolfgang; Heide, Gerhard","Lithium carnallite, LiCl·MgCl~2~·7H~2~O","Acta Crystallographica Section C","2009","65","9","i57","i59","10.1107/S0108270109029448","","","0.71073","MoKα","","0.0165","0.0156","","","0.0383","0.0384","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017294","10.4112","0.0005","11.5745","0.0005","19.1907","0.0009","96.319","0.004","93.869","0.005","100.628","0.004","2249.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~2~-naphthalene-1,4- dicarboxylato)zinc(II)]","","- C26 H20 N4 O4 Zn -","- C26 H20 N4 O4 Zn -","- C104 H80 N16 O16 Zn4 -","4","2","GD3296","Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Su, Guan-Fang; Li, Yu-Lin","A novel parallel interpenetrating two-dimensional (4,4) network: poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~2~-naphthalene-1,4-dicarboxylato)zinc(II)]","Acta Crystallographica Section C","2009","65","9","m340","m342","10.1107/S0108270109029084","","","0.71073","MoKα","","0.1034","0.0455","","","0.0881","0.0957","","","","","","0.831","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017295","13.6042","0.0002","20.8734","0.0004","11.4525","0.0002","90","","116.279","0.0011","90","","2916.02","0.09","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5,10,15,20-tetra-4-pyridylporphyrin","","- C40 H26 N8 -","- C40 H26 N8 -","- C160 H104 N32 -","4","1","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.059","0.0493","","","0.1213","0.1272","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017296","15.2155","0.0004","15.2155","0.0004","13.5388","0.0006","90","","90","","90","","3134.39","0.18","110","2","110","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","5,10,15,20-tetra-4-pyridylporphyrin 1.514-hydrate","","- C40 H29.028 N8 O1.514 -","- C40 H29.028 N8 O1.514 -","- C160 H116.112 N32 O6.056 -","4","0.25","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.0858","0.0513","","","0.1044","0.1151","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017297","6.5563","0.0002","10.0441","0.0003","16.1903","0.0005","77.841","0.002","88.9097","0.0019","79.6939","0.0014","1025.24","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetra-4-pyridylporphyrin 2-chlorophenol disolvate","","- C52 H36 Cl2 N8 O2 -","- C52 H36 Cl2 N8 O2 -","- C52 H36 Cl2 N8 O2 -","1","0.5","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.0823","0.0583","","","0.1415","0.1558","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017298","9.5382","0.0007","9.9155","0.0006","28.2197","0.0019","90","","90","","90","","2668.9","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","4-amino-5-cyano-1-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate","","- C12 H14 N5 O4.5 -","- C12 H14 N5 O4.5 -","- C96 H112 N40 O36 -","8","1","GG3204","Seela, Frank; Ingale, Sachin A.; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","A toyocamycin analogue with the sugar moiety in a <i>syn</i> conformation","Acta Crystallographica Section C","2009","65","9","o431","o434","10.1107/S0108270109029813","","","0.71073","MoKα","","0.0365","0.0313","","","0.0723","0.0752","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017299","7.9112","0.0011","5.5582","0.0006","30.665","0.003","90","","94.541","0.01","90","","1344.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C64 H52 N20 O8 -","4","1","GG3208","Rodríguez, Ricaurte; Nogueras, Manuel; Cobo, Justo; Glidewell, Christopher","5-Nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine: polarized molecules linked into π-stacked chains <i>via</i> three-centre C—H···(O)~2~ hydrogen bonds","Acta Crystallographica Section C","2009","65","9","o438","o440","10.1107/S0108270109029618","","","0.71073","MoKα","","0.1408","0.0566","","","0.117","0.1526","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017300","21.4869","0.0007","7.0302","0.0003","14.181","0.0005","90","","126.173","0.002","90","","1729.22","0.12","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","0.75","GG3209","Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile has <i>Z</i>' = 0.75 in the space group <i>C</i>2/<i>m</i>: fourfold disordered molecules lie in channels enclosed by fully ordered molecules","Acta Crystallographica Section C","2009","65","9","o444","o446","10.1107/S0108270109029667","","","0.71073","MoKα","","0.0634","0.0583","","","0.1305","0.1324","","","","","","1.25","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017301","8.9868","0.0002","10.8718","0.0004","12.4359","0.0004","94.333","0.002","93.634","0.003","102.49","0.002","1178.9","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(Phenylmethylene)bis(6-allyl-3-chloro-2-methylaniline)","","- C27 H28 Cl2 N2 -","- C27 H28 Cl2 N2 -","- C54 H56 Cl4 N4 -","2","1","GG3211","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives","Acta Crystallographica Section C","2009","65","9","o479","o482","10.1107/S0108270109031175","","","0.71073","MoKα","","0.0849","0.0611","","","0.1158","0.1282","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017302","8.7263","0.0002","10.6766","0.0002","12.2691","0.0003","77.11","0.001","87.793","0.001","82.367","0.002","1104.35","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(2-thienylmethylene)bis(6-allyl-3-chloro-2-methylaniline)","","- C25 H26 Cl2 N2 S -","- C25 H26 Cl2 N2 S -","- C50 H52 Cl4 N4 S2 -","2","1","GG3211","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives","Acta Crystallographica Section C","2009","65","9","o479","o482","10.1107/S0108270109031175","","","0.71073","MoKα","","0.0493","0.0397","","","0.0804","0.0862","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017303","10.7959","0.0011","14.2116","0.0016","17.4303","0.0011","90","","90","","90","","2674.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-chloro- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H11 Br Cl N O S -","- C14 H11 Br Cl N O S -","- C112 H88 Br8 Cl8 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1156","0.0499","","","0.0625","0.0763","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017304","8.3789","0.0012","9.6964","0.0014","30.952","0.004","90","","90","","90","","2514.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-methyl-2-thienyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H15 N O S -","- C15 H15 N O S -","- C120 H120 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1127","0.0503","","","0.0964","0.1213","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017305","15.042","0.003","15.739","0.003","5.6216","0.0013","90","","100.12","0.016","90","","1310.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-7-chloro-2-<i>exo</i>-(5-methyl-2-thienyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.0729","0.0423","","","0.0826","0.094","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017306","7.5367","0.0002","9.8819","0.0003","11.7402","0.0004","90","","96.28","0.003","90","","869.13","0.05","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(nitrato-κ<i>O</i>)bis(pyridine-4-carboxamide- κ<i>N</i>^1^)copper(II)","","- C12 H16 Cu N6 O10 -","- C12 H16 Cu N6 O10 -","- C24 H32 Cu2 N12 O20 -","2","0.5","GT3009","Daković, Marijana; Popović, Zora","Uncommon isonicotinamide supramolecular synthons in copper(II) complexes directed by nitrate and perchlorate anions","Acta Crystallographica Section C","2009","65","9","m361","m366","10.1107/S0108270109031989","","","0.71073","MoKα","","0.0291","0.0241","","","0.0666","0.0692","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017307","18.7783","0.0003","9.5648","0.0002","18.263","0.0002","90","","92.09","0.001","90","","3278.05","0.09","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Diaquatetrakis(pyridine-4-carboxamide-κ<i>N</i>^1^)copper(II) bis(perchlorate)","","- C24 H28 Cl2 Cu N8 O14 -","- C24 H28 Cl2 Cu N8 O14 -","- C96 H112 Cl8 Cu4 N32 O56 -","4","0.5","GT3009","Daković, Marijana; Popović, Zora","Uncommon isonicotinamide supramolecular synthons in copper(II) complexes directed by nitrate and perchlorate anions","Acta Crystallographica Section C","2009","65","9","m361","m366","10.1107/S0108270109031989","","","0.71073","MoKα","","0.0355","0.0322","","","0.0871","0.0886","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017308","8.5031","0.0015","11.387","0.002","14.075","0.003","90","","90","","90","","1362.8","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C56 H40 F16 N8 O8 -","8","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0372","","","","0.0999","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017309","4.468","0.002","8.486","0.003","8.881","0.001","90","","100.698","0.005","90","","330.87","0.19","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C14 H10 F4 N2 O2 -","2","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0313","","","","0.0762","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017310","8.113","0.002","13.852","0.002","14.9846","0.0003","90","","103.013","0.002","90","","1640.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4-[(Carbamimidoylhydrazono)methyl-κ^2^<i>N</i>^1^,<i>N</i>^4^]-5- hydroxymethyl-2-methylpyridinium-3-olate-κ<i>O</i>}(methanol- κ<i>O</i>)copper(II) dinitrate","","- C10 H17 Cu N7 O9 -","- C10 H17 Cu N7 O9 -","- C40 H68 Cu4 N28 O36 -","4","1","SF3109","Leovac, Vukadin M.; Vojinović-Ješić, Ljiljana S.; Češljević, Valerija I.; Novaković, Sladjana B.; Bogdanović, Goran A.","{4-[(Carbamimidoylhydrazono)methyl-κ^2^<i>N</i>^1^,<i>N</i>^4^]-5-hydroxymethyl-2-methylpyridinium-3-olate-κ<i>O</i>}(methanol-κ<i>O</i>)copper(II) dinitrate","Acta Crystallographica Section C","2009","65","9","m337","m339","10.1107/S0108270109029023","","","0.71073","MoKα","","0.0613","0.0453","","","0.1367","0.1414","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017311","15.4321","0.0017","9.4632","0.0011","9.9958","0.0011","90","","108.414","0.002","90","","1385","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis{μ-dihydrogen [(5-carboxypentylimino)dimethylene]diphosphonato- κ^2^<i>O</i>:<i>O</i>'}cadmium(II)]","","- C16 H36 Cd N2 O16 P4 -","- C16 H36 Cd N2 O16 P4 -","- C32 H72 Cd2 N4 O32 P8 -","2","0.5","SF3111","Ying, Shao-Ming; Fang, Xiao-Niu; Zhong, Fan; Wu, Jian-Hong; Kuang, Ren-Yun","<i>catena</i>-Poly[bis{μ-dihydrogen [(5-carboxypentylimino)dimethylene]diphosphonato-κ^2^<i>O</i>:<i>O</i>'}cadmium(II)]","Acta Crystallographica Section C","2009","65","9","m358","m360","10.1107/S0108270109030893","","","0.71073","MoKα","","0.0568","0.0384","","","0.0864","0.0886","","","","","","0.869","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017312","34.3729","0.0017","8.7718","0.0005","13.6662","0.0009","90","","111.847","0.002","90","","3824.6","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{2-[2-(4-Methoxybenzoyl)ethylamino]-4-nitroanilino}ethyl acetate","","- C20 H23 N3 O6 -","- C20 H23 N3 O6 -","- C160 H184 N24 O48 -","8","1","SF3112","Insuasty, Braulio; Caldfas, Yupanqui; Cobo, Justo; Glidewell, Christopher","2-{2-[2-(4-Methoxybenzoyl)ethylamino]-4-nitroanilino}ethyl acetate: complex sheets built from five independent hydrogen bonds","Acta Crystallographica Section C","2009","65","9","o483","o486","10.1107/S0108270109032235","","","0.71073","MoKα","","0.1475","0.062","","","0.1297","0.1603","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017313","6.6421","0.0004","5.9519","0.0003","31.516","0.0018","90","","90.687","0.003","90","","1245.84","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5:3,7-dimethano-1,3,5,7-benzotetrazonine‒hydroquinone (2/1)","","- C14 H17 N4 O -","- C28 H34 N8 O2 -","- C56 H68 N16 O4 -","2","0.5","SK3334","Rivera, Augusto; Guevara-Pulido, James; Sadat-Bernal, John; Ríos-Motta, Jaime; Zaragoza, Guillermo","The solid-state 2:1 molecular complex of 1,5:3,7-dimethano-1,3,5,7-benzotetrazonine with hydroquinone","Acta Crystallographica Section C","2009","65","9","o435","o437","10.1107/S0108270109025499","","","0.7107","MoKα","","0.0775","0.0494","","","0.1088","0.1205","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017314","19.606","0.002","5.7354","0.0006","25.4316","0.0018","90","","127.755","0.005","90","","2261","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Methylenediphenol‒4,4'-bipyridine (2/3)","","- C56 H48 N6 O4 -","- C56 H48 N6 O4 -","- C112 H96 N12 O8 -","2","0.5","SQ3200","Zhang, Zhi-Hui; Tan, Xue; Chen, Sheng-Chun","4,4'-Methylenediphenol‒4,4'-bipyridine (2/3): decarboxylation of 5,5'-methylenedisalicylic acid under hydrothermal conditions","Acta Crystallographica Section C","2009","65","9","o457","o459","10.1107/S0108270109030832","","","0.71073","MoKα","","0.067","0.0414","","","0.1042","0.1195","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017315","15.7072","0.0003","12.4989","0.0002","11.271","0.0002","90","","103.599","0.001","90","","2150.72","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trisodium(I) managnese(III) citrate(3-) dihydrate","","- C6 H9 Mn0.011 Na3 O9 -","- C6 H9 Mn0.0112 Na3 O9 -","- C48 H72 Mn0.0896 Na24 O72 -","8","1","SQ3205","Poleti, Dejan; Karanović, Ljiljana; Dordjević, Tamara; Duriš, Katarina","Sodium citrate dihydrate doped with Mn^3+^ ions","Acta Crystallographica Section C","2009","65","9","m355","m357","10.1107/S0108270109030595","","","0.71069","MoKα","","0.0327","0.0289","","","0.0769","0.0782","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017316","12.628","0.003","4.1398","0.0008","14.953","0.003","90","","90","","90","","781.7","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dierbium tetraselenide","","- Ba Er2 Se4 -","- Ba Er2 Se4 -","- Ba4 Er8 Se16 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0268","0.0249","","","0.066","0.0664","","","","","","1.539","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017317","12.605","0.003","4.1311","0.0008","14.919","0.003","90","","90","","90","","776.9","0.3","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium dithulium tetraselenide","","- Ba Se4 Tm2 -","- Ba Se4 Tm2 -","- Ba4 Se16 Tm8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0185","0.0176","","","0.042","0.0423","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017318","12.58","0.003","4.115","0.0008","14.86","0.003","90","","90","","90","","769.3","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium diytterbium tetraselenide","","- Ba Se4 Yb2 -","- Ba Se4 Yb2 -","- Ba4 Se16 Yb8 -","4","0.5","SQ3208","Bugaris, Daniel E.; Ibers, James A.","Ba<i>Ln</i>~2~Se~4~ (<i>Ln</i> = Er, Tm and Yb)","Acta Crystallographica Section C","2009","65","9","i60","i62","10.1107/S0108270109030571","","","0.71073","MoKα","","0.0204","0.0182","","","0.0411","0.0416","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017319","9.6393","0.0002","15.4265","0.0004","7.4346","0.0002","90","","111.984","0.001","90","","1025.15","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]","","- C3 H10 N2 Na O9 V -","- C3 H10 N2 Na O9 V -","- C12 H40 N8 Na4 O36 V4 -","4","1","DN3120","Zhang, Qi-Ying; Zhang, Heng-Qiang; Kong, Ai-Guo; Yang, Qian; Shan, Yong-Kui","A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]","Acta Crystallographica Section C","2009","65","10","m401","m403","10.1107/S0108270109036300","","","0.71073","MoKα","","0.0265","0.0233","","","0.0626","0.0649","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017320","14.8094","0.0011","6.4226","0.0007","7.0194","0.0008","90","","90.949","0.009","90","","667.56","0.12","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[aqua(4,4'-diazenediyldibenzoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)]","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C28 H20 Cd2 N4 O10 -","2","0.5","DN3124","Wang, Ru-Guo; Qiao, Qian; Tang, Tian-Di","Poly[[aqua(4,4'-diazenediyldibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)]: a twofold interpenetrated three-dimensional coordination polymer of PtS topology","Acta Crystallographica Section C","2009","65","10","m388","m390","10.1107/S0108270109035501","","","0.71073","MoKα","","0.0487","0.0343","","","0.0687","0.0722","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017321","10.0058","0.0002","20.0564","0.0004","10.9787","0.0002","90","","92.464","0.001","90","","2201.17","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride","","- C16 H64 Cl14 N8 Ni3 -","- C16 H64 Cl14 N8 Ni3 -","- C32 H128 Cl28 N16 Ni6 -","2","0.5","DN3125","Gerdes, Allison; Bond, Marcus R.","Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging","Acta Crystallographica Section C","2009","65","10","m398","m400","10.1107/S0108270109036853","","","0.71073","MoKα","","0.0567","0.0318","","","0.047","0.0519","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017322","9.11787","0.00006","9.11787","0.00006","9.11787","0.00006","90","","90","","90","","758.019","0.009","530","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","zirconium vanadium tungstate","","- O7.9 V0.2 W1.8 Zr -","- O7.9 V0.2 W1.8 Zr -","- O31.6 V0.8 W7.2 Zr4 -","4","0.166667","FA3187","Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua","Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K","Acta Crystallographica Section C","2009","65","10","i74","i76","10.1107/S0108270109028856","powder diffraction","","","","","","","","","","","","","2.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017323","4.022","0.0017","4.022","0.0017","17.408","0.008","90","","90","","120","","243.87","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","CaIn~2~P~2~","calcium indium phosphide","","- Ca In2 P2 -","- Ca In2 P2 -","- Ca2 In4 P4 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0359","0.028","","","0.0652","0.0728","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017324","4.0945","0.0016","4.0945","0.0016","17.812","0.007","90","","90","","120","","258.61","0.18","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","SrIn~2~P~2~","strontium indium phosphide","","- In2 P2 Sr -","- In2 P2 Sr -","- In4 P4 Sr2 -","2","0.0833333","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0171","0.0146","","","0.0344","0.0367","","","","","","1.251","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017325","9.9652","0.0008","4.1789","0.0003","12.9834","0.001","90","","95.326","0.002","90","","538.34","0.07","90","2","90","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","BaIn2P2","barium indium phosphide","","- Ba In2 P2 -","- Ba In2 P2 -","- Ba4 In8 P8 -","4","1","FA3198","Rauscher, Japheth F.; Condron, Cathie L.; Beault, Tanya; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary; Olmstead, Marilyn M.","Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~","Acta Crystallographica Section C","2009","65","10","i69","i73","10.1107/S0108270109035987","","","0.71073","MoKα","","0.0493","0.0383","","","0.0887","0.0931","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017326","17.1527","0.0003","28.5415","0.0006","13.5331","0.0002","90","","112.984","0.001","90","","6099.36","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquatetranitrato[5-(pyridinium-4-yl)-10,15,20-tri-4- pyridylporphyrin]lanthanum(III) 1,2-dichlorobenzene trisolvate","","- C58 H43 Cl6 La N12 O14 -","- C52 H39 Cl4 La N12 O14 -","- C208 H156 Cl16 La4 N48 O56 -","4","1","FA3203","Lipstman, Sophia; Goldberg, Israel","Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin","Acta Crystallographica Section C","2009","65","10","m371","m373","10.1107/S0108270109034532","","","0.71073","MoKα","","0.1218","0.0625","","","0.1304","0.1478","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017327","8.6312","0.0017","8.413","0.0017","15.301","0.003","90","","95.71","0.03","90","","1105.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[propane-1,3-diaminium hexa-μ-oxido-dioxidotellurium(IV)divanadium(V)]","","- C3 H12 N2 O8 Te V2 -","- C3 H12 N2 O8 Te V2 -","- C12 H48 N8 O32 Te4 V8 -","4","1","FA3204","Huang, Xihe; Liu, Zhongqian; Huang, Changcang; Shen, Lijuan; Yan, Xiaobao","New organically templated vanadium tellurites: (H~2~pn)[V~2~TeO~8~] (pn is propane-1,3-diamine)","Acta Crystallographica Section C","2009","65","10","m404","m406","10.1107/S0108270109038190","","","0.71073","MoKα","","0.0273","0.0207","","","0.051","0.0523","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017328","7.895","0.001","9.318","0.0009","9.313","0.0011","60.187","0.008","72.998","0.009","95.1","0.01","545.33","0.13","293","","293","1","","","","","","","","4","P -1","-P 1","2","","1,3-dibromo-5-iodo-2,4,6-trimethylbenzene","","- C9 H9 Br2 I -","- C9 H9 Br2.001 I0.999 -","- C18 H18 Br4.002 I1.998 -","2","1","FG3100","Ghanemi, Soumia; Hernandez, Olivier; Boudjada, Ali; Meinnel, Jean","Rotationally disordered phase of 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene at 293 K","Acta Crystallographica Section C","2009","65","10","o498","o501","10.1107/S0108270109032715","","","0.71073","MoKα","","0.0906","0.0399","","0.0667","","0.0436","","","","","","1.1769","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017329","6.306","0.002","9.325","0.003","10.04","0.004","62.508","0.003","86.763","0.004","73.842","0.004","501.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4'-bipyridinium tetrachloroterephthalate dihydrate","","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","- C18 H14 Cl4 N2 O6 -","1","0.5","FG3128","He, Ming-Yang; Zhang, Zhi-Hui; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","Acta Crystallographica Section C","2009","65","10","o525","o528","10.1107/S0108270109037500","","","0.71073","MoKα","","0.0415","0.0388","","","0.1251","0.1278","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017330","8.2931","0.0011","12.0916","0.0016","12.3108","0.0016","102.127","0.002","109.454","0.001","106.072","0.002","1054.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","","- C40 H26 Cl8 N4 O11 -","- C40 H20 Cl8 N4 O11 -","- C40 H20 Cl8 N4 O11 -","1","0.5","FG3128","He, Ming-Yang; Zhang, Zhi-Hui; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate","Acta Crystallographica Section C","2009","65","10","o525","o528","10.1107/S0108270109037500","","","0.71073","MoKα","","0.0509","0.0444","","","0.1343","0.1467","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017331","6.3371","0.0002","8.4915","0.0005","8.7216","0.0005","77.037","0.002","76.362","0.003","80.093","0.003","440.93","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","dmh102","(+<i>ac</i>,-<i>ac</i>)-<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta- 1,3,5-trienolato)copper(II)","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","1","0.5","FN3033","Ho, Douglas M.; Berardini, Michael E.; Arvanitis, Georgia M.","(+<i>ac</i>,{-}<i>ac</i>)-<i>trans</i>-Bis(hinokitiolato)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2009","65","10","m391","m394","10.1107/S0108270109034647","","","0.71073","MoKα","","0.0953","0.0654","","","0.1775","0.2039","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017332","6.1893","0.0002","8.4581","0.0003","25.7989","0.001","95.73","0.002","91.884","0.002","100.878","0.003","1317.82","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","dmh099","(+<i>ac</i>,-<i>ac</i>)-<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta- 1,3,5-trienolato)copper(II) chloroform disolvate","","- C22 H24 Cl6 Cu O4 -","- C22 H24 Cl6 Cu O4 -","- C44 H48 Cl12 Cu2 O8 -","2","1","FN3033","Ho, Douglas M.; Berardini, Michael E.; Arvanitis, Georgia M.","(+<i>ac</i>,{-}<i>ac</i>)-<i>trans</i>-Bis(hinokitiolato)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2009","65","10","m391","m394","10.1107/S0108270109034647","","","0.71073","MoKα","","0.0754","0.0496","","","0.1234","0.1363","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017333","10.8169","0.0003","8.0588","0.0002","15.8422","0.0004","90","","91.326","0.003","90","","1380.61","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-ethyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H14 I N O3 -","- C14 H14 I N O3 -","- C56 H56 I4 N4 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0362","0.0259","","","0.0743","0.0796","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017334","10.8406","0.0002","8.2843","0.0002","15.9269","0.0003","90","","93.127","0.002","90","","1428.21","0.05","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-cyclopropyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H14 I N O3 -","- C15 H14 I N O3 -","- C60 H56 I4 N4 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0463","0.0287","","","0.0728","0.0785","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017335","10.8437","0.0003","9.966","0.0002","14.4482","0.0004","90","","108.436","0.003","90","","1481.26","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(dimethylamino)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H15 I N2 O3 -","- C14 H15 I N2 O3 -","- C56 H60 I4 N8 O12 -","4","1","GA3130","Bauer, Jurica; Milić, Dalibor; Modrić, Marina","Three quinolone compounds featuring O···I halogen bonding","Acta Crystallographica Section C","2009","65","10","o512","o516","10.1107/S0108270109036361","","","0.71073","MoKα","","0.0418","0.0304","","","0.0752","0.0785","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017336","8.5265","0.0008","8.5265","0.0008","24.388","0.002","90","","90","","90","","1773","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","pyridinium trifluoromethanesulfonate","","- C6 H6 F3 N O3 S -","- C6 H6 F3 N O3 S -","- C48 H48 F24 N8 O24 S8 -","8","1","GA3132","Goldberg, Israel","Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","10","o509","o511","10.1107/S0108270109034866","","","0.71073","MoKα","","0.0994","0.0594","","","0.1095","0.1206","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017337","15.1899","0.0003","9.8327","0.0002","17.1131","0.0004","90","","100.78","0.001","90","","2510.87","0.09","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl- κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol- 1-yl-κ<i>N</i>^2^)borato]nickel(II)","","- C21 H30 B2 N10 Ni -","- C21 H30 B2 N10 Ni -","- C84 H120 B8 N40 Ni4 -","4","1","GD3299","Vachon, Jason; Schougaard, Steen Brian","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl-κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)","Acta Crystallographica Section C","2009","65","10","m382","m384","10.1107/S0108270109030789","","","1.54178","CuKα","","0.0606","0.0447","","","0.1336","0.1416","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017338","8.9267","0.0005","11.1863","0.0006","14.6796","0.0004","90","","104.788","0.003","90","","1417.3","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","GD3303","Callear, Samantha K.; Hursthouse, Michael B.","A new polymorph of 2-methyl-6-nitroaniline","Acta Crystallographica Section C","2009","65","10","o539","o542","10.1107/S0108270109035069","","","0.71073","MoKα","","0.0766","0.0491","","","0.1053","0.117","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017339","3.9248","0.0002","12.8496","0.0008","14.2746","0.0009","90","","91.464","0.004","90","","719.66","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","GD3303","Callear, Samantha K.; Hursthouse, Michael B.","A new polymorph of 2-methyl-6-nitroaniline","Acta Crystallographica Section C","2009","65","10","o539","o542","10.1107/S0108270109035069","","","0.71073","MoKα","","0.0768","0.0451","","","0.1069","0.1254","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017340","8.7174","0.0007","20.116","0.0016","11.8827","0.0009","90","","97.145","0.002","90","","2067.6","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-aminophenyl)-1-phenylhydrazin-1-ium 3-carboxy-4-hydroxybenzenesulfonate methanol solvate","","- C20 H21 N3 O7 S -","- C20 H21 N3 O7 S -","- C80 H84 N12 O28 S4 -","4","1","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0456","0.0377","","","0.0969","0.101","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017341","5.7601","0.0004","13.0794","0.0008","23.6556","0.0015","77.937","0.005","83.985","0.005","86.971","0.005","1732.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4-phenylazoanilinium benzenesulfonate","2-(4-aminophenyl)-1-phenylhydrazin-1-ium (4-phenyldiazenyl)anilinium bis(benzenesulfonate)","","- C36 H34 N6 O6 S2 -","- C36 H34 N6 O6 S2 -","- C72 H68 N12 O12 S4 -","2","1","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0515","0.0361","","","0.0898","0.0939","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017342","8.2048","0.0007","8.8859","0.0007","11.5802","0.0009","112.292","0.008","92.56","0.007","114.072","0.008","693.09","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-(phenyldiazenyl)aniline‒3,5-dinitrobenzoic acid (1/2)","","- C26 H19 N7 O12 -","- C26 H19 N7 O12 -","- C26 H19 N7 O12 -","1","0.5","GD3306","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","Proton transfer <i>versus</i> nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o543","o548","10.1107/S0108270109036622","","","0.71073","MoKα","","0.0408","0.0299","","","0.0818","0.0851","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017343","6.9254","0.001","7.4746","0.0011","14.31","0.002","75.861","0.004","89.207","0.003","79.842","0.004","706.72","0.18","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","2-chloro-5-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0365","0.0325","","","0.0925","0.0957","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017344","7.6022","0.0003","7.6251","0.0004","12.9978","0.0005","82.3","0.002","75.1792","0.0012","85.3277","0.0019","720.94","0.06","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","3-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0431","0.0366","","","0.1017","0.1062","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017345","7.9684","0.0008","8.6178","0.0007","11.1202","0.0009","88.959","0.002","80.348","0.003","78.671","0.003","738.06","0.11","185","1","185","1","","","","","","","","5","P -1","-P 1","2","","4-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0433","0.0372","","","0.1018","0.1061","","","","","","1.076","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017346","7.0456","0.0004","22.6829","0.0013","9.6273","0.0006","90","","106.318","0.0018","90","","1476.6","0.15","185","1","185","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-chloro-2-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C64 H44 Cl4 N8 O16 -","4","1","GD3308","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid","Acta Crystallographica Section C","2009","65","10","o534","o538","10.1107/S0108270109037688","","","0.71075","MoKα","","0.0409","0.0349","","","0.0897","0.0929","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017347","10.442","0.002","13.004","0.002","10.8849","0.0019","90","","111.119","0.009","90","","1378.8","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(1<i>H</i>-Pyrrol-2-yl)-1<i>H</i>-pyrazole","","- C7 H7 N3 -","- C7 H7 N3 -","- C56 H56 N24 -","8","2","GG3214","Marriott, Katie E. R.; Kilner, Colin A.; Halcrow, Malcolm A.","3-(1<i>H</i>-Pyrrol-2-yl)-1<i>H</i>-pyrazole forms an unusual hydrogen-bonded two-dimensional (3,4)-connected net","Acta Crystallographica Section C","2009","65","10","o506","o508","10.1107/S0108270109034568","","","0.71073","MoKα","","0.054","0.0394","","","0.1008","0.1108","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017348","12.7022","0.001","10.671","0.0008","13.5477","0.0011","90","","108.316","0.001","90","","1743.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~3~-<i>N'</i>-(3-cyanobenzylidene)nicotinohydrazide]silver(I)] hexafluoroarsenate]","","- C14 H10 Ag As F6 N4 O -","- C14 H10 Ag As F6 N4 O -","- C56 H40 Ag4 As4 F24 N16 O4 -","4","1","MX3016","Niu, Cao-Yuan; Ning, Ai-Min; Meng, Lei; Kou, Chun-Hong; He, Yong","A stair-like two-dimensional silver(I) coordination polymer of <i>N</i>'-(3-cyanobenzylidene)nicotinohydrazide","Acta Crystallographica Section C","2009","65","10","m407","m410","10.1107/S0108270109036506","","","0.71073","MoKα","","0.0382","0.0303","","","0.0786","0.0826","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017349","4.196","0.0001","10.6058","0.0003","13.0059","0.0004","90","","90.8559","0.0012","90","","578.72","0.03","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-5-hydroxy-2-pyridone","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0436","0.0342","","","0.0762","0.0813","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017350","27.1736","0.001","27.1736","0.001","6.9253","0.0002","90","","90","","90","","5113.7","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine chloroform 0.125-solvate","","- C5.125 H4.125 Cl1.375 N O2 -","- C5.125 H4.125 Cl1.375 N O2 -","- C164 H132 Cl44 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.1066","0.0517","","","0.1212","0.1458","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017351","27.1708","0.0004","27.1708","0.0004","6.9458","0.0001","90","","90","","90","","5127.75","0.13","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine carbon tetrachloride 0.125-solvate","","- C5.125 H4 Cl1.5 N O2 -","- C5.125 H4 Cl1.5 N O2 -","- C164 H128 Cl48 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","1.54178","CuKα","","0.0354","0.0339","","","0.0898","0.0916","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017352","27.1149","0.001","27.1149","0.001","6.9618","0.0002","90","","90","","90","","5118.4","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,2 dichloroethane solvate","","- C5.25 H4.5 Cl1.25 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0779","0.051","","","0.1232","0.1331","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017353","27.2426","0.001","27.2426","0.001","6.9534","0.0003","90","","90","","90","","5160.5","0.3","90","0.2","90","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,1,2,2-tetrachloroethane solvate","","- C5.25 H4.25 Cl1.5 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","1.54178","CuKα","","0.037","0.035","","","0.0919","0.093","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017354","4.2481","0.0001","10.7075","0.0002","13.0362","0.0003","90","","91.2416","0.0011","90","","592.83","0.02","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-5-hydroxy-2-pyridone","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0661","0.04","","","0.0929","0.1058","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017355","27.4722","0.0002","27.4722","0.0002","7.0495","0.0001","90","","90","","90","","5320.41","0.09","293","0.2","293","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","6-Chloro-2,5-dihydroxypyridine 1,1,2,2-tetrachloroethane solvate","","- C5.25 H4.25 Cl1.5 N O2 -","- C5 H4 Cl N O2 -","- C160 H128 Cl32 N32 O64 -","32","2","MX3019","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone","Acta Crystallographica Section C","2009","65","10","o529","o533","10.1107/S0108270109036476","","","0.71073","MoKα","","0.0805","0.0591","","","0.1835","0.1955","","","","","","1.145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017356","5.5859","0.0006","8.9617","0.0006","25.333","0.003","90","","93.88","0.009","90","","1265.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","SF3113","Koşar, Başak; Albayrak, Çigdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2009","65","10","o517","o520","10.1107/S0108270109034350","","","0.71073","MoKα","","0.0697","0.0377","","","0.0869","0.0978","","","","","","0.984","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017357","22.446","0.003","7.2259","0.0007","16.727","0.002","90","","113.428","0.009","90","","2489.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C112 H96 Cl8 N8 O16 -","8","1","SF3113","Koşar, Başak; Albayrak, Çigdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[(4-Chlorophenyl)iminomethyl]-5-methoxyphenol and (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2009","65","10","o517","o520","10.1107/S0108270109034350","","","0.71073","MoKα","","0.0667","0.0377","","","0.0909","0.1022","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017358","5.9983","0.0005","8.9198","0.0008","11.5785","0.001","75.711","0.001","84.66","0.001","86.038","0.001","597.04","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Lenalidomide","(<i>RS</i>)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","SF3114","Ravikumar, Krishnan; Sridhar, Balasubramanian","Lenalidomide, an antineoplastic drug, and its hemihydrate","Acta Crystallographica Section C","2009","65","10","o502","o505","10.1107/S0108270109033642","","","0.71073","MoKα","","0.0407","0.0393","","","0.1022","0.1037","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017359","8.4425","0.0007","22.2874","0.0019","13.6627","0.0012","90","","101.069","0.001","90","","2523","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide hemihydrate","(<i>RS</i>)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione hemihydrate","","- C13 H14 N3 O3.5 -","- C13 H14 N3 O3.5 -","- C104 H112 N24 O28 -","8","2","SF3114","Ravikumar, Krishnan; Sridhar, Balasubramanian","Lenalidomide, an antineoplastic drug, and its hemihydrate","Acta Crystallographica Section C","2009","65","10","o502","o505","10.1107/S0108270109033642","","","0.71073","MoKα","","0.04","0.0362","","","0.1003","0.1045","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017360","6.3601","0.0002","11.275","0.0005","13.8028","0.0005","105.972","0.002","91.253","0.003","98.539","0.002","938.99","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5- yl)iminomethyl]quinolin-2(1<i>H</i>)-one","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C46 H44 N8 O2 -","2","1","SK3342","Castillo, Juan C.; Abonía, Rodrigo; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","3-[(<i>E</i>)-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)iminomethyl]quinolin-2(1<i>H</i>)-one: chains built by π-stacking of hydrogen-bonded <i>R</i>~2~^2^(8) dimers","Acta Crystallographica Section C","2009","65","10","o495","o497","10.1107/S0108270109033861","","","0.71073","MoKα","","0.0899","0.0533","","","0.1313","0.1512","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017361","6.2142","0.0012","20.959","0.004","8.9443","0.0018","90","","95.24","0.03","90","","1160.1","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua(μ~3~-3-nitrophthalato)calcium(II)] monohydrate]","","- C8 H9 Ca N O9 -","- C8 H9 Ca N O9 -","- C32 H36 Ca4 N4 O36 -","4","1","SK3344","Guo, Ming-Lin","Poly[[diaqua(μ~3~-3-nitrophthalato)calcium(II)] monohydrate]","Acta Crystallographica Section C","2009","65","10","m395","m397","10.1107/S0108270109036130","","","0.71073","MoKα","","0.0362","0.034","","","0.0856","0.0874","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017362","10.168","0.001","10.168","0.001","10.168","0.001","90","","90","","90","","1051.25","0.18","293","","293","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Bismuth germanate","Tetrabismuth tris(germanate)","","- Bi4 Ge3 O12 -","- Bi4 Ge3 O12 -","- Bi16 Ge12 O48 -","4","0.0833333","SQ3206","Grzechnik, Andrzej","Bi~4~Ge~3~O~12~ at the onset of pressure-induced amorphization","Acta Crystallographica Section C","2009","65","10","i63","i65","10.1107/S0108270109030601","","","0.71069","MoKα","","0.0806","0.0564","","","0.054","0.056","","","","","","2.72","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017363","16.6086","0.0015","6.1031","0.0003","31.45","0.003","90","","101.495","0.006","90","","3124","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ~4~-benzene-1,2-dicarboxylato)(isonicotinato- κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","","- C14 H12 Gd N O8 -","- C14 H12 Gd N O8 -","- C112 H96 Gd8 N8 O64 -","8","1","SQ3207","Chen, Li-Juan; Zhao, Zheng-Guo; Yang, Ming-Xing; Chen, Xiao-Hua","Poly[diaqua(μ~4~-benzene-1,2-dicarboxylato)(isonicotinato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","Acta Crystallographica Section C","2009","65","10","m374","m376","10.1107/S0108270109031084","","","0.71073","MoKα","","0.0372","0.0331","","","0.0709","0.0734","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017364","17.719","0.006","8.159","0.003","7.326","0.002","90","","90","","90","","1059.1","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~- thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)]","","- C6 H54 Ag2 N5 S2 -","- C6 H5 Ag2 N5 S2 -","- C24 H20 Ag8 N20 S8 -","4","0.5","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0435","0.0416","","","0.1033","0.1044","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017365","20.955","0.004","11.282","0.002","24.166","0.005","90","","90","","90","","5713.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~- thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","","- C7 H9 Ag N4 S -","- C7 H9 Ag N4 S -","- C168 H216 Ag24 N96 S24 -","24","3","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0832","0.0537","","","0.1172","0.1247","","","","","","0.898","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017366","28.252","0.01","5.569","0.002","28.27","0.011","90","","113.12","0.019","90","","4091","3","100","1","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","nonactin","nonactin","","- C40 H64 O12 -","- C40 H64 O12 -","- C160 H256 O48 -","4","1","SQ3212","Guzei, Ilia A.; Wang, Cheng; Zhan, Yulian; Dolomanov, Oleg V.; Cheng, Yi-Qiang","Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions","Acta Crystallographica Section C","2009","65","10","o521","o524","10.1107/S0108270109033083","","","1.54178","Cu-Kα","","0.0437","0.043","","","0.1092","0.1102","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017367","26.939","0.002","5.1596","0.0004","11.6242","0.0012","90","","90.06","0.04","90","","1615.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[2,2'-iminodiethanaminium [hexa-μ~2~-oxido-tetraoxidoditellurium(IV)divanadium(V)] dihydrate]","","- C4 H19 N3 O12 Te2 V2 -","- C4 H19 N3 O12 Te2 V2 -","- C16 H76 N12 O48 Te8 V8 -","4","0.5","SQ3213","Huang, Xihe; Liu, Zhongqian; Huang, Changcang; Shen, Lijuan; Yan, Xiaobao","A new organically templated vanadium tellurite: (H~2~dien)[(VO~2~)(TeO~3~)]~2~·2H~2~O (dien is diethylenetriamine)","Acta Crystallographica Section C","2009","65","10","m385","m387","10.1107/S0108270109035495","","","0.71073","MoKα","","0.0282","0.0256","","","0.0668","0.068","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017368","12.2665","0.0011","4.8875","0.0004","8.3697","0.0008","90","","90","","90","","501.78","0.08","293","","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","europium iodide","europium(II) diiodide","","- Eu I2 -","- Eu I2 -","- Eu4 I8 -","4","0.5","SQ3214","Krings, Michael; Wessel, Michael; Dronskowski, Richard","EuI~2~, a low-temperature europium(II) iodide phase","Acta Crystallographica Section C","2009","65","10","i66","i68","10.1107/S0108270109038542","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017369","10.7614","0.0002","31.0703","0.0005","14.7131","0.0003","90","","110.948","0.002","90","","4594.32","0.16","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","lagoden","sodium 3β,16,18-trihydroxy-8,13-<i>epi</i>-9,13-epoxylabdan-15-oate dimethylformamide hemisolvate dihydrate","","- C21.5 H40.5 N0.5 Na O8.5 -","- C21.5 H40.5 N0.5 Na O8.5 -","- C172 H324 N4 Na8 O68 -","8","4","SU3037","Wicher, Barbara; Gdaniec, Maria; Dalimov, Davran N.; Zainutdinov, Umardjon N.","Lagoden dimethylformamide hemisolvate dihydrate: absolute configuration, dipolar interactions and~hydrogen-bonding interactions","Acta Crystallographica Section C","2009","65","10","m367","m370","10.1107/S010827010903354X","","","1.54184","CuKα","","0.0325","0.0322","","","0.0861","0.0863","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017370","17.82","0.002","8.5232","0.0012","9.1706","0.0012","90","","95.913","0.006","90","","1385.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Copper (II) Boron Oxyde","Nonacopper(II) bis(hexaoxodiborate) bisorthoborate","","- B6 Cu9 O18 -","- B6 Cu9 O18 -","- B24 Cu36 O72 -","4","1","BD3006","Kuratieva, Natalia V.; Mikhailova, Daria; Ehrenberg, Helmut","A new polymorph of Cu~3~B~2~O~6~","Acta Crystallographica Section C","2009","65","11","i85","i86","10.1107/S0108270109036865","","","0.71073","MoKα","","0.0548","0.0302","","","0.0585","0.063","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017371","12.0236","0.0013","12.4384","0.0014","14.0058","0.0015","82.98","0.001","73.411","0.001","74.536","0.001","1932.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis[μ-1,3-bis(pentafluorophenyl)propane-1,3-dionato]- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>']nickel(II)} benzene tetrasolvate","","- C84 H32 F40 Ni2 O10 -","- C84 H32 F40 Ni2 O10 -","- C84 H32 F40 Ni2 O10 -","1","0.5","BG3106","Hori, Akiko; Mizutani, Masaya","A benzene-rich pseudopolymorph of bis[μ-1,3-bis(pentafluorophenyl)propane-1,3-dionato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']nickel(II)} benzene tetrasolvate","Acta Crystallographica Section C","2009","65","11","m415","m417","10.1107/S0108270109037184","","","0.71073","MoKα","","0.0457","0.033","","","0.0809","0.0867","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017372","10.2861","0.0007","13.4443","0.0009","15.7523","0.0011","90","","90","","90","","2178.4","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocuprate(II) dihydrate","","- C10 H12 Br8 Cu N2 O2 -","- C10 H12 Br8 Cu N2 O2 -","- C40 H48 Br32 Cu4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0534","0.0328","","","0.0765","0.0875","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017373","10.6168","0.0007","13.5358","0.0009","15.6473","0.0011","90","","90","","90","","2248.6","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidocadmate(II) dihydrate","","- C10 H12 Br8 Cd N2 O2 -","- C10 H12 Br8 Cd N2 O2 -","- C40 H48 Br32 Cd4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.041","0.0271","","","0.0591","0.064","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017374","10.6328","0.0007","13.5144","0.0009","15.6141","0.0011","90","","90","","90","","2243.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis(2,6-dibromopyridinium) tetrabromidomercurate(II) dihydrate","","- C10 H12 Br8 Hg N2 O2 -","- C10 H12 Br8 Hg N2 O2 -","- C40 H48 Br32 Hg4 N8 O8 -","4","0.5","BG3107","Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares","Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C~5~H~4~Br~2~N)~2~[<i>M</i>Br~4~]·2H~2~O (<i>M</i> = Cu, Cd and Hg)","Acta Crystallographica Section C","2009","65","11","m451","m454","10.1107/S010827010903772X","","","0.71073","MoKα","","0.0488","0.0311","","","0.063","0.0679","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017375","6.6019","0.0008","11.1195","0.0013","13.9076","0.0017","106.693","0.001","102.362","0.001","103.715","0.001","905.31","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione","","- C18 H20 F2 N4 O2 S -","- C18 H20 F2 N4 O2 S -","- C36 H40 F4 N8 O4 S2 -","2","1","DN3126","Zhang, Zhenfeng; Zhang, Jinming; Zhang, Guisheng; Wang, Jange","Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione","Acta Crystallographica Section C","2009","65","11","o558","o561","10.1107/S0108270109038487","","","0.71073","MoKα","","0.049","0.038","","","0.0909","0.0984","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017376","11.342","0.002","6.4613","0.001","15.269","0.004","90","","116.55","0.03","90","","1001","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cooper succinate 1,3-di-4-pyridylethane","poly[di-μ~4~-succinato-μ~2~-1,2-di-4-pyridylethane-dicopper(II)]","","- C10 H10 Cu N O4 -","- C10 H10 Cu N O4 -","- C40 H40 Cu4 N4 O16 -","4","1","FA3201","González Garmendia, M. J.; Nacianceno, V. San; Seco, J. M.; Zúñiga, F. J.","Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane","Acta Crystallographica Section C","2009","65","11","m436","m439","10.1107/S0108270109040566","","","0.71073","MoKα","","0.2113","0.0579","","","0.0466","0.0683","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017377","15.563","0.001","6.4472","0.0007","24.1","0.002","90","","116.913","0.009","90","","2156.2","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cooper succinate 1,3-di-4-pyridylpropane)","poly[di-μ~4~-succinato-μ~2~-1,3-di-4-pyridylpropane-dicopper(II)]","","- C21 H22 Cu2 N2 O8 -","- C21 H22 Cu2 N2 O8 -","- C84 H88 Cu8 N8 O32 -","4","1","FA3201","González Garmendia, M. J.; Nacianceno, V. San; Seco, J. M.; Zúñiga, F. J.","Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane","Acta Crystallographica Section C","2009","65","11","m436","m439","10.1107/S0108270109040566","","","0.71069","MoKα","","0.1535","0.0559","","","0.0506","0.0536","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017378","14.2141","0.0002","12.0446","0.0001","5.05009","0.00006","90","","96.5811","0.0008","90","","858.894","0.017","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ethenzamide","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","FA3207","Pagola, Silvina; Stephens, Peter W.","Herringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high-resolution X-ray powder diffraction","Acta Crystallographica Section C","2009","65","11","o583","o586","10.1107/S0108270109040803","powder diffraction","","0.69847","synchrotron","","","","","","","","","","1.45","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017379","8.6441","0.0002","11.1173","0.0003","13.3944","0.0003","101.234","0.002","107.521","0.003","106.587","0.002","1119.51","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ-but-2-enoato-bis[diaqua(μ~2~-but-2-enoato)dysprosium(III)]‒2,6- diaminopurine (1/2)","","- C34 H50 Dy2 N12 O16 -","- C34 H50 Dy2 N12 O16 -","- C34 H50 Dy2 N12 O16 -","1","0.5","FG3130","Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous crotonatolanthanide complexes: tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)Ln]‒2,6-diaminopurine (1/2) (Ln = Dy and Ho)","Acta Crystallographica Section C","2009","65","11","m411","m414","10.1107/S0108270109037512","","","0.71073","MoKα","","0.0202","0.0192","","","0.0464","0.047","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017380","8.644","0.002","11.141","0.003","13.412","0.003","101.36","0.003","107.537","0.004","106.518","0.004","1122.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ-but-2-enoato-bis[diaqua(μ~2~-but-2-enoato)holmium(III)]‒2,6- diaminopurine (1/2)","","- C34 H50 Ho2 N12 O16 -","- C34 H50 Ho2 N12 O16 -","- C34 H50 Ho2 N12 O16 -","1","0.5","FG3130","Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous crotonatolanthanide complexes: tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)Ln]‒2,6-diaminopurine (1/2) (Ln = Dy and Ho)","Acta Crystallographica Section C","2009","65","11","m411","m414","10.1107/S0108270109037512","","","0.71073","MoKα","","0.0311","0.029","","","0.0709","0.0717","","","","","","1.349","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017381","24.624","0.003","6.6934","0.0009","9.403","0.0013","90","","102.088","0.003","90","","1515.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclohexanecarboxamide","","- C7 H13 N O -","- C7 H13 N O -","- C56 H104 N8 O8 -","8","1","FG3132","Zipp, Caitlin F.; Fernandes, Manuel A.; Michael, Joseph P.; Winks, Susan","Cyclohexanecarboxamide","Acta Crystallographica Section C","2009","65","11","o553","o554","10.1107/S0108270109036440","","","0.71073","MoKα","","0.072","0.0557","","","0.1334","0.1431","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017382","7.0455","0.0006","19.5294","0.0017","8.3412","0.0011","90","","107.446","0.01","90","","1094.9","0.2","293","","293","","","","","","","","Kutna Hora polymetallic deposit, Czech Republic","5","P 1 21/c 1","-P 2ybc","14","","Silver lead tris(dibismuth/antimony) hexasulfide","Gustavite","- Ag Bi1.998 Pb S6 Sb0.911 -","- Ag Bi1.998 Pb S6 Sb0.911 -","- Ag4 Bi7.992 Pb4 S24 Sb3.644 -","4","1","FN3031","Pažout, Richard; Dušek, Michal","Natural monoclinic AgPb(Bi~2~Sb)~3~S~6~, an Sb-rich gustavite","Acta Crystallographica Section C","2009","65","11","i77","i80","10.1107/S0108270109040293","","","0.71073","MoKα","","0.1129","0.0588","","","0.0547","0.0596","","","","","","1.98","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2017383","25.702","0.005","4.4419","0.0004","18.718","0.004","90","","129.14","0.03","90","","1657.4","0.9","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexane-1,6-diaminium chloride chloroacetate - chloroacetic acid","","- C10 H23 Cl3 N2 O4 -","- C10 H23 Cl3 N2 O4 -","- C40 H92 Cl12 N8 O16 -","4","0.5","FN3035","Paul, Agnieszka; Kubicki, Maciej","Hexane-1,6-diaminium chloride [hydrogen bis(chloroacetate)]","Acta Crystallographica Section C","2009","65","11","o555","o557","10.1107/S0108270109035835","","","0.71073","MoKα","","0.04","0.0291","","","0.0602","0.0622","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017384","10.2731","0.0002","8.5637","0.0002","25.6968","0.0006","90","","93.218","0.001","90","","2257.13","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","</i>rac</i>-5-diphenylacetyl-2,3,4,5-tetrahydro-2,2,4-trimethyl- 1,5-benzothiazepine","</i>rac</i>-5-diphenylacetyl-2,3,4,5-tetrahydro-2,2,4-trimethyl- 1,5-benzothiazepine","","- C26 H27 N O S -","- C26 H27 N O S -","- C104 H108 N4 O4 S4 -","4","1","GD3302","Kanagasabapathy, Thanikasalam; Krishnaswamy, Panchanatheswaran; Ramasubbu, Jeyaraman","<i>rac</i>-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and <i>rac</i>-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine","Acta Crystallographica Section C","2009","65","11","o579","o582","10.1107/S0108270109036646","","","0.71073","MoKα","","0.066","0.042","","","0.1019","0.1165","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017385","9.6038","0.0008","9.9485","0.0008","13.6818","0.0011","90","","107.713","0.002","90","","1245.23","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","</i>rac</i>-5-formyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","</i>rac</i>-5-formyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","GD3302","Kanagasabapathy, Thanikasalam; Krishnaswamy, Panchanatheswaran; Ramasubbu, Jeyaraman","<i>rac</i>-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and <i>rac</i>-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine","Acta Crystallographica Section C","2009","65","11","o579","o582","10.1107/S0108270109036646","","","0.71073","MoKα","","0.0637","0.0414","","","0.1101","0.1238","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017386","5.8366","0.0001","15.3018","0.0004","8.1078","0.0002","90","","91.444","0.001","90","","723.88","0.03","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0307","0.0296","","","0.0759","0.0765","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017387","8.5024","0.0004","11.948","0.0005","17.6485","0.0007","90","","90","","90","","1792.85","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}- 2-methylpropan-2-ol","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0436","0.0353","","","0.0807","0.0833","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017388","9.3438","0.0002","15.9896","0.0004","10.9479","0.0003","90","","114.441","0.001","90","","1489.08","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,1-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0682","0.0435","","","0.0905","0.0972","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017389","8.6781","0.0005","12.8084","0.0007","14.5243","0.0008","90","","90","","90","","1614.41","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-hydroxy-2-methylpropyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0563","0.0414","","","0.0905","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017390","8.9681","0.0008","12.5151","0.0011","16.396","0.0014","90","","90","","90","","1840.2","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-Hydroxy-2-phenylethyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0519","0.0402","","","0.0833","0.0864","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017391","9.5577","0.0009","9.9481","0.0009","15.9403","0.0015","90","","100.136","0.002","90","","1492","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0475","0.0376","","","0.088","0.0922","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017392","9.5879","0.0005","10.0655","0.0006","16.1252","0.0009","90","","99.034","0.001","90","","1536.89","0.15","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0708","0.0436","","","0.1042","0.113","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017393","4.8894","0.001","12.404","0.003","13.096","0.003","90","","90","","90","","794.2","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-amino-1-naphthol","5-amino-1-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","GD3309","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","5-Amino-1-naphthol: two-dimensional sheets built up from <i>R</i>~4~^4^(18) rings formed by O—H···N, N—H···O and π‒π interactions","Acta Crystallographica Section C","2009","65","11","o565","o568","10.1107/S0108270109038694","","","0.71073","MoKα","","0.1429","0.0509","","","0.0469","0.0591","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017394","9.3507","0.0007","14.6003","0.0011","14.3335","0.0011","90","","90","","90","","1956.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Yb(THF)~3~I~3~","triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","","- C12 H24 I3 O3 Yb -","- C12 H24 I3 O3 Yb -","- C48 H96 I12 O12 Yb4 -","4","0.5","GG3217","Emge, Thomas J.; Kornienko, A.; Brennan, John G.","<i>Trans</i> influence in a <i>mer</i>-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)","Acta Crystallographica Section C","2009","65","11","m422","m425","10.1107/S0108270109038268","","","0.71073","MoKα","","0.0465","0.029","","","0.0622","0.0663","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017395","12.87","0.004","13.548","0.004","5.8772","0.0018","90","","116.729","0.005","90","","915.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[(μ~3~-chloro)-(μ~2~-4,4'-bipyridine-κ^2^N,N')silver(I)]","","- C10 H8 Ag Cl N2 -","- C10 H8 Ag Cl N2 -","- C40 H32 Ag4 Cl4 N8 -","4","0.5","KU3015","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","<i>catena</i>-Poly[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ~3~-chlorido]: self-assembly of a two-dimensional bilayer silver(I) coordination polymer from AgCl and a bipodal spacer","Acta Crystallographica Section C","2009","65","11","m440","m442","10.1107/S0108270109042176","","","0.71073","MoKα","","0.0376","0.0365","","","0.0896","0.0902","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017396","7.1444","0.0003","9.6123","0.0005","11.4228","0.0005","90.46","0.001","94.924","0.001","108.783","0.002","739.4","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[bis[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>'] naphthalene-2,6-dicarboxylate tetrahydrate]","","- C32 H30 Ag2 N4 O8 -","- C32 H30 Ag2 N4 O8 -","- C32 H30 Ag2 N4 O8 -","1","0.5","LG3022","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","<i>catena</i>-Poly[bis[silver(I)-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework <i>via</i> coordination bonds and supramolecular interactions","Acta Crystallographica Section C","2009","65","11","m418","m421","10.1107/S0108270109036488","","","0.71073","MoKα","","0.0306","0.029","","","0.0768","0.0781","","","","","","1.008","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2017397","7.5068","0.0016","11.303","0.003","20.444","0.004","90","","90.041","0.005","90","","1734.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","chloroferrocene","1-chloroferrocene","","- C10 H9 Cl Fe -","- C10 H9 Cl Fe -","- C80 H72 Cl8 Fe8 -","8","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0645","0.0472","","","0.1056","0.1144","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017398","7.5222","0.0014","11.613","0.002","20.44","0.004","90","","90.05","0.003","90","","1785.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bromoferrocene","1-bromoferrocene","","- C10 H9 Br Fe -","- C10 H9 Br Fe -","- C80 H72 Br8 Fe8 -","8","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0391","0.0312","","","0.0749","0.0784","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017399","7.6372","0.0019","11.371","0.003","11.694","0.003","72.22","0.003","80.196","0.003","79.577","0.003","943.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Iodoferrocene","1-Iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0323","0.0298","","","0.0813","0.0829","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017400","6.2918","0.001","9.7229","0.0015","15.146","0.002","90","","93.437","0.002","90","","924.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","iodoferrocene","1-Iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0183","0.0178","","","0.0406","0.0408","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017401","15.1204","0.0009","12.2337","0.0007","23.6514","0.0016","90","","105.912","0.002","90","","4207.4","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylpyridyl)ethane-1,2- diamine]manganese(III,IV)} tris(perchlorate) hexahydrate","","- C28 H48 Cl3 Mn2 N8 O20 -","- C28 H48 Cl3 Mn2 N8 O20 -","- C112 H192 Cl12 Mn8 N32 O80 -","4","1","SF3119","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order‒disorder phase transition","Acta Crystallographica Section C","2009","65","11","m447","m450","10.1107/S0108270109042127","","","0.71073","MoKα","","0.0729","0.0507","","","0.1466","0.1583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017402","15.4488","0.0007","12.2792","0.0005","23.7512","0.001","90","","106.852","0.002","90","","4312.1","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylpyridyl)ethane-1,2- diamine]manganese(III,IV)} tris(perchlorate) hexahydrate","","- C28 H48 Cl3 Mn2 N8 O20 -","- C28 H46 Cl3 Mn2 N8 O19 -","- C112 H184 Cl12 Mn8 N32 O76 -","4","0.5","SF3119","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order‒disorder phase transition","Acta Crystallographica Section C","2009","65","11","m447","m450","10.1107/S0108270109042127","","","0.71073","MoKα","","0.0866","0.0672","","","0.2196","0.2347","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017403","12.4467","0.0012","9.1849","0.0008","8.5635","0.0008","90","","107.065","0.008","90","","935.89","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5-fluorocytosine dimethyl sulfoxide solvate","4-amino-5-fluoropyrimidin-2(1<i>H</i>)-one dimethyl sulfoxide solvate","","- C6 H10 F N3 O2 S -","- C6 H10 F N3 O2 S -","- C24 H40 F4 N12 O8 S4 -","4","1","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.0546","0.0391","","","0.0931","0.0995","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017404","7.7247","0.0012","8.284","0.0013","13.238","0.002","90.204","0.013","104.336","0.012","107.774","0.012","778.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-fluorocytosine dimethylacetamide hemisolvate","","- C6 H8.5 F N3.5 O1.5 -","- C6 H8.5 F N3.5 O1.5 -","- C24 H34 F4 N14 O6 -","4","2","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.1218","0.0688","","","0.1685","0.1993","","","","","","0.937","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017405","14.7039","0.0013","12.4546","0.001","13.7921","0.0014","90","","115.474","0.007","90","","2280.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-fluorocytosine hemihydrate","","- C4 H5 F N3 O1.5 -","- C4 H5 F N3 O1.5 -","- C64 H80 F16 N48 O24 -","16","4","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.0535","0.0375","","","0.074","0.0779","","","","","","0.875","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017406","7.9734","0.0018","8.452","0.002","8.9099","0.0002","75.158","0.009","84.727","0.007","64.436","0.016","523.48","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1- yl)pyrimidin-4(3<i>H</i>)-one monohydrate","","- C9 H15 N5 O3 -","- C9 H15 N5 O3 -","- C18 H30 N10 O6 -","2","1","SK3349","Orozco, Fabían; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3<i>H</i>)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2009","65","11","o549","o552","10.1107/S0108270109039018","","","0.71073","MoKα","","0.0648","0.0461","","","0.107","0.116","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017407","11.8125","0.0006","7.1372","0.0007","11.8588","0.0019","90","","107.91","0.004","90","","951.34","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","","- C7 H13 N5 O3 -","- C7 H13 N5 O3 -","- C28 H52 N20 O12 -","4","1","SK3349","Orozco, Fabían; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3<i>H</i>)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2009","65","11","o549","o552","10.1107/S0108270109039018","","","0.71073","MoKα","","0.0821","0.0462","","","0.0949","0.1087","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017408","10.7948","0.0002","10.9672","0.0002","18.5874","0.0003","90","","101.105","0.001","90","","2159.34","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichlorido{4,4'-dimethyl-2,2'-[cyclohexane-1,2- diylbis(sulfanediyl)]diphenolato}titanium(IV)","","- C20 H22 Cl2 O2 S2 Ti -","- C20 H22 Cl2 O2 S2 Ti -","- C80 H88 Cl8 O8 S8 Ti4 -","4","0.5","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0625","0.0423","","","0.1035","0.1122","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017409","9.4627","0.0007","16.8985","0.0004","12.081","0.0011","90","","104.195","0.006","90","","1872.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV)","","- C18 H18 Cl2 O2 S2 Ti -","- C18 H18 Cl2 O2 S2 Ti -","- C72 H72 Cl8 O8 S8 Ti4 -","4","1","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0686","0.049","","","0.0916","0.0979","","","","","","1.239","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017410","9.7622","0.0003","16.3667","0.0004","14.5713","0.0004","90","","106.899","0.001","90","","2227.6","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV) toluene hemisolvate","","- C21.5 H22 Cl2 O2 S2 Ti -","- C21.5 H22 Cl2 O2 S2 Ti -","- C86 H88 Cl8 O8 S8 Ti4 -","4","1","SK3350","Dols, Thomas S.; Spaniol, Thomas P.; Okuda, Jun","Titanium complexes with sulfur-linked bis(phenolate) ligands","Acta Crystallographica Section C","2009","65","11","m443","m446","10.1107/S0108270109042280","","","0.71073","MoKα","","0.0673","0.0349","","","0.0774","0.0874","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017411","12.495","0.0013","6.4978","0.0007","9.9943","0.0011","90","","106.362","0.001","90","","778.57","0.14","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium-magnesium decahydrate","disodium magnesium disulfate decahydrate","","- H20 Mg Na2 O18 S2 -","- H20 Mg Na2 O18 S2 -","- H40 Mg2 Na4 O36 S4 -","2","0.5","SQ3201","Leduc, Evelyne M. S.; Peterson, Ronald C.; Wang, Ruiyao","Sodium magnesium sulfate decahydrate, Na~2~Mg(SO~4~)~2~·10H~2~O, a new sulfate salt","Acta Crystallographica Section C","2009","65","11","i81","i84","10.1107/S0108270109028881","","","0.71073","MoKα","","0.032","0.0266","","","0.0629","0.0654","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017412","7.2696","0.0005","10.7776","0.0007","12.0288","0.0008","90","","90","","90","","942.44","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Iodocymantrene","Tricarbonyl(η^5^-1-iodocyclopentadienyl)manganese(I)","","- C8 H4 I Mn O3 -","- C8 H4 I Mn O3 -","- C32 H16 I4 Mn4 O12 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0221","0.02","","","0.0466","0.0476","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017413","6.4096","0.001","10.9991","0.0016","11.9798","0.0018","90","","100.507","0.002","90","","830.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(cymantrenyl)acetylene","[μ-1,2(η^5^)-Acetylenedicyclopentadienyl]bis[tricarbonylmanganese(I)]","","- C18 H8 Mn2 O6 -","- C18 H8 Mn2 O6 -","- C36 H16 Mn4 O12 -","2","0.5","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0338","0.0278","","","0.0684","0.0709","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017414","7.4117","0.0014","10.922","0.002","11.987","0.002","90","","90","","90","","970.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl(η^5^-1-iodocyclopentadienyl)rhenium(I)","","- C8 H4 I O3 Re -","- C8 H4 I O3 Re -","- C32 H16 I4 O12 Re4 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0194","0.0184","","","0.0408","0.0411","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017415","6.2633","0.001","11.7262","0.0018","11.8471","0.0018","90","","98.206","0.002","90","","861.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1,2(η^5^)-Acetylenedicyclopentadienyl]bis[tricarbonylrhenium(I)]","","- C18 H8 O6 Re2 -","- C18 H8 O6 Re2 -","- C36 H16 O12 Re4 -","2","0.5","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0266","0.0213","","","0.0489","0.0511","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017416","6.9028","0.0014","27.756","0.006","12.624","0.004","90","","120.21","0.02","90","","2090.2","1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylammonium 2-{4-[1-(4-carboxymethoxyphenyl)-1-methylethyl]phenoxy}acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","SU3040","Zheng, Ze-Bao; Zhao, Xue; Li, Ji-Kun; Han, Yin-Feng; Ji, Ning-Ning","1:1 Adducts of 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","11","o569","o573","10.1107/S0108270109040761","","","0.71073","MoKα","","0.0979","0.0488","","","0.1105","0.1344","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017417","8.8698","0.0015","14.673","0.002","20.087","0.003","96.749","0.002","94.18","0.003","99.751","0.004","2547.1","0.7","295","","295","","","","","","","","","4","P -1","-P 1","2","","2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid‒4,4'-bipyridine (1/1)","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C116 H112 N8 O24 -","4","2","SU3040","Zheng, Ze-Bao; Zhao, Xue; Li, Ji-Kun; Han, Yin-Feng; Ji, Ning-Ning","1:1 Adducts of 2,2'-[isopropylidenebis(<i>p</i>-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine","Acta Crystallographica Section C","2009","65","11","o569","o573","10.1107/S0108270109040761","","","0.71073","MoKα","","0.1551","0.07","","","0.1799","0.2353","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017418","10.4545","0.0012","10.859","0.003","32.168","0.005","90","","91.796","0.01","90","","3650.1","1.2","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl ketone triperoxide","3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane","","- C15 H30 O6 -","- C15 H30 O6 -","- C120 H240 O48 -","8","2","UK3010","Cerna, Jorge; Bernès, Sylvain; Cañizo, Adriana; Eyler, Nora","3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane at 296 K","Acta Crystallographica Section C","2009","65","11","o562","o564","10.1107/S0108270109039833","","","0.71073","MoKα","","0.0646","0.0395","","","0.0978","0.1119","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017419","14.676","0.002","7.435","0.002","7.574","0.002","90","","111.79","0.02","90","","767.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cytosinium hydrogen sulfate","Cytosinium hydrogen sulfate","","- C4 H7 N3 O5 S -","- C4 H7 N3 O5 S -","- C16 H28 N12 O20 S4 -","4","1","BD3008","Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane","Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate","Acta Crystallographica Section C","2009","65","12","o607","o611","10.1107/S0108270109043765","","","0.71073","MoKα","","0.0501","0.0377","","","0.0838","0.0914","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017420","17.194","0.002","4.94","0.001","8.901","0.001","90","","90","","90","","756","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","cytosinium perchlorate","cytosinium perchlorate","","- C4 H6 Cl N3 O5 -","- C4 H6 Cl N3 O5 -","- C16 H24 Cl4 N12 O20 -","4","1","BD3008","Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane","Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate","Acta Crystallographica Section C","2009","65","12","o607","o611","10.1107/S0108270109043765","","","0.71073","MoKα","","0.0196","0.019","","","0.0539","0.0551","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017421","9.9357","0.0003","12.4348","0.0005","21.6047","0.0003","90","","95.067","0.004","90","","2658.8","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~4~-benzene-1,2-dicarboxylato)di-μ~3~-isonicotinato- dilanthanum(III)]","","- C28 H16 La2 N2 O12 -","- C28 H16 La2 N2 O12 -","- C112 H64 La8 N8 O48 -","4","1","BG3111","Wang, Guo-Ming; Xue, Shu-Yun; Li, Hui; Liu, Hui-Luan","Poly[bis(μ~4~-benzene-1,2-dicarboxylato)di-μ~3~-isonicotinato-dilanthanum(III)]","Acta Crystallographica Section C","2009","65","12","m469","m471","10.1107/S0108270109043856","","","0.71073","MoKα","","0.0453","0.0359","","","0.0786","0.0823","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017422","3.6087","0.0001","15.4328","0.0005","12.7326","0.0003","90","","97.566","0.002","90","","702.93","0.03","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[bis(μ~2~-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^)(μ~2~-nitrato-\ κ^2^<i>O</i>:<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')disilver(I)]","","- C8 H10 Ag2 N8 O6 -","- C8 H10 Ag2 N8 O6 -","- C16 H20 Ag4 N16 O12 -","2","1","DN3128","Sun, Di; Luo, Geng-Geng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Poly[bis(μ~2~-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^)(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')disilver(I)]: an achiral two-dimensional coordination polymer forming chiral crystals","Acta Crystallographica Section C","2009","65","12","m478","m480","10.1107/S0108270109045806","","","0.71073","MoKα","","0.0247","0.0227","","","0.0495","0.0498","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017423","15.893","0.003","44.48","0.005","7.3582","0.001","90","","90","","90","","5201.7","1.3","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dichlorido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Cl2 N6 O6 Zn -","- C22 H26 Cl2 N6 O6 Zn -","- C176 H208 Cl16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0248","","","","0.0678","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017424","16.1158","0.0012","44.425","0.004","7.3861","0.0005","90","","90","","90","","5288","0.7","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dibromido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Br2 N6 O6 Zn -","- C22 H26 Br2 N6 O6 Zn -","- C176 H208 Br16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0333","","","","0.09","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017425","6.334","0.0007","19.247","0.003","8.4472","0.0012","90","","110.562","0.013","90","","964.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Diamino-2-morpholino-5-nitrosopyrimidine","","- C8 H12 N6 O2 -","- C8 H12 N6 O2 -","- C32 H48 N24 O8 -","4","1","EG3030","García, Angélica; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","4,6-Diamino-2-morpholino-5-nitrosopyrimidine: a polarized molecular structure within hydrogen-bonded sheets","Acta Crystallographica Section C","2009","65","12","o598","o600","10.1107/S0108270109041122","","","0.71073","MoKα","","0.1181","0.0589","","","0.1378","0.1736","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017426","5.9632","0.0002","8.1157","0.0002","10.9434","0.0003","105.007","0.002","101.213","0.002","105.935","0.002","471.36","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate","","- H7 Na4 Np O9 -","- H7 Na4 Np O9 -","- H14 Na8 Np2 O18 -","2","1","FA3208","Grigoriev, Mikhail S.; Krot, Nikolai N.","Novel heptavalent actinide compounds: tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate and its plutonium analogue","Acta Crystallographica Section C","2009","65","12","i91","i93","10.1107/S0108270109044394","","","0.71073","MoKα","","0.0256","0.0215","","","0.0493","0.0541","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017427","5.9177","0.0002","8.0736","0.0002","10.8696","0.0003","105.007","0.002","101.224","0.002","105.76","0.002","462.72","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrasodium dihydroxidotetraoxidoplutonate(VII) hydroxide dihydrate","","- H7 Na4 O9 Pu -","- H7 Na4 O9 Pu -","- H14 Na8 O18 Pu2 -","2","1","FA3208","Grigoriev, Mikhail S.; Krot, Nikolai N.","Novel heptavalent actinide compounds: tetrasodium dihydroxidotetraoxidoneptunate(VII) hydroxide dihydrate and its plutonium analogue","Acta Crystallographica Section C","2009","65","12","i91","i93","10.1107/S0108270109044394","","","0.71073","MoKα","","0.0418","0.0281","","","0.0368","0.0386","","","","","","0.855","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017428","10.5598","0.001","15.4984","0.0015","19.4769","0.0019","83.508","0.001","75.251","0.001","84.088","0.001","3053.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate","","- C19 H17 F6 Fe O0.33 P S2 -","- C57 H51 F18 Fe3 O P3 S6 -","- C114 H102 F36 Fe6 O2 P6 S12 -","2","1","FN3032","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate","Acta Crystallographica Section C","2009","65","12","m466","m468","10.1107/S0108270109035847","","","0.71073","MoKα","","0.117","0.0629","","","0.1497","0.1801","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017429","10.001","0.002","12.345","0.003","20.513","0.004","88.49","0.03","87.32","0.03","83.62","0.03","2513.6","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2<i>S</i>)-2'-ethoxy-1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline- 2,3'-3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazine]","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","2","FN3034","Lin, Jian; Chai, Wenxiang; Song, Li; Qin, Laishun; Shu, Kangying","An organic photochromic compound: (2<i>S</i>)-2'-ethoxy-1,3,3-trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazine]","Acta Crystallographica Section C","2009","65","12","o621","o623","10.1107/S0108270109043339","","","0.71075","mokα","","0.1368","0.0525","","","0.1367","0.1889","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017430","15.179","0.007","13.746","0.006","36.18","0.016","90","","101.564","0.007","90","","7396","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-triisopropylsilanethiolato)-\ 1:2κ^4^<i>S</i>:<i>S</i>;2:3κ^4^<i>S</i>:<i>S</i>-\ bis(triisopropylsilanethiolato)-1κ<i>S</i>,3κ<i>S</i>-trizinc(II)","","- C54 H126 S6 Si6 Zn3 -","- C54 H126 S6 Si6 Zn3 -","- C216 H504 S24 Si24 Zn12 -","4","1","FN3038","Medina-Ramírez, Iliana E.; Fink, Mark J.; Donahue, James P.","Tetrakis(μ-triisopropylsilanethiolato)-1:2κ^4^<i>S</i>:<i>S</i>;2:3κ^4^<i>S</i>:<i>S</i>-bis(triisopropylsilanethiolato)-1κ<i>S</i>,3κ<i>S</i>-trizinc(II)","Acta Crystallographica Section C","2009","65","12","m475","m477","10.1107/S0108270109045570","","","0.71073","MoKα","","0.0587","0.0518","","","0.1093","0.1111","","","","","","1.282","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017431","13.467","0.002","13.467","0.002","13.467","0.002","90","","90","","90","","2442.4","0.6","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Borophosphate hydroxide","Potassium pentanickel hexaborophosphate tridecahydroxide","","- B12 H26 K2 Ni10 O72 P12 -","- B12 H26 K2 Ni10 O72 P12 -","- B24 H52.0001 K4 Ni20 O144 P24 -","2","0.0833333","FN3039","Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.","12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]","Acta Crystallographica Section C","2009","65","12","i94","i98","10.1107/S0108270109044217","","","0.71073","MoKα","","0.0492","0.0324","","","0.0574","0.0606","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017432","12.0797","0.0017","12.0797","0.0017","28.326","0.006","90","","90","","120","","3579.5","1","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(7<i>S</i>)-<i>N</i>-[4-(3-thienyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3- carbonyl]-2,10-camphorsultam tetrahydrofuran hemisolvate","","- C26 H33 N O3.5 S2 -","- C26 H33 N O3.5 S2 -","- C156 H198 N6 O21 S12 -","6","1","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.0595","0.0378","","","0.0767","0.0841","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017433","11.687","0.002","12.849","0.003","31.547","0.006","90","","90","","90","","4737.3","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7<i>S</i>)-<i>N</i>-[4-(4-tolyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl]- 2,10-camphorsultam","","- C27 H33 N O3 S -","- C27 H33 N O3 S -","- C216 H264 N8 O24 S8 -","8","2","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.063","0.0414","","","0.0872","0.0955","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017434","15.8669","0.0003","7.5765","0.0001","16.4065","0.0002","90","","97.9769","0.0013","90","","1953.23","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C28 H18 N2 Ni O2 -","- C28 H18 N2 Ni O2 -","- C112 H72 N8 Ni4 O8 -","4","1","GD3313","Blagus, Anita; Kaitner, Branko","Interactions between dimers of {1,1'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]di-2-naphtholato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2009","65","12","m455","m458","10.1107/S0108270109044503","","","0.71069","MoKα","","0.0481","0.0388","","","0.09","0.0942","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017435","6.9614","0.0003","18.2529","0.0007","7.4731","0.0003","90","","116.84","0.002","90","","847.28","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzofuran-2,3-dicarboxylic acid","","- C10 H6 O5 -","- C10 H6 O5 -","- C40 H24 O20 -","4","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.0659","0.0488","","","0.1301","0.1407","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017436","3.7576","0.0001","18.3933","0.0006","17.9788","0.0007","90","","93.5522","0.0011","90","","1240.21","0.07","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridinium 2-carboxylato-1-benzofuran-3-carboxylic acid","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.1111","0.0516","","","0.1118","0.1387","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017437","5.3881","0.0002","8.3227","0.0004","18.6514","0.0011","90","","90.3794","0.0018","90","","836.38","0.07","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Phenazinium 3-carboxylato-1-benzofuran-2-carboxylic acid","","- C22 H14 N2 O5 -","- C22 H14 N2 O5 -","- C44 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.081","0.0448","","","0.0918","0.1051","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017438","5.8427","0.0002","17.5893","0.0007","7.1302","0.0003","90","","104.634","0.0016","90","","708.99","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Aminoanilinium 2-carboxylato-1-benzofuran-3-carboxylic acid","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.0554","0.0419","","","0.1043","0.1103","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017439","8.594","0.0004","4.7435","0.0002","10.7293","0.0005","90","","95.183","0.004","90","","435.6","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","4-methoxy-1-naphthol","4-methoxy-1-naphthol","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","GD3319","Marciniak, Bernard; Rozycka-Sokolowska, Ewa","4-Methoxy-1-naphthol: chains formed by O—H···O hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2009","65","12","o630","o634","10.1107/S0108270109047556","","","0.71073","MoKα","","0.044","0.0358","","","0.0805","0.0838","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017440","7.52863","0.00018","11.565","0.0003","14.0547","0.0003","90","","102.833","0.002","90","","1193.16","0.05","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(methoxycarbimido)aminato]copper(II)‒1-methylpyrrolidin-2-one (1/2)","","- C18 H34 Cu N8 O6 -","- C18 H34 Cu N8 O6 -","- C36 H68 Cu2 N16 O12 -","2","0.5","GG3219","Chippindale, Ann M.; Bilbé, Edward J.; Hibble, Simon J.","Bis[bis(methoxycarbimido)aminato]copper(II) 1-methylpyrrolidin-2-one disolvate","Acta Crystallographica Section C","2009","65","12","m485","m487","10.1107/S0108270109048252","","","0.71073","MoKα","","0.0281","0.0223","","0.0253","0.0248","0.0245","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017441","11.692","0.002","10.298","0.002","22.19","0.004","90","","100.12","0.03","90","","2630.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trimethylimidazolium sodium dimethylimidazole octamolybdate","Tris(1-methylimidazolium) bis(1-methylimidazole)hexacosaoxidooctamolybdatesodium","","- C20 H33 Mo8 N10 Na O26 -","- C28 H45 Mo8 N14 Na O26 -","- C56 H90 Mo16 N28 Na2 O52 -","2","0.5","KU3013","Feldmann, Claus; Alam, Nure","The novel chain-like anion ~{∞~}^1^[NaMo~8~O~26~(mim)~2~]^3{-^} in (Hmim)~3~[NaMo~8~O~26~(mim)~2~] (mim is 1-methylimidazole)","Acta Crystallographica Section C","2009","65","12","m494","m496","10.1107/S0108270109045089","","","0.71073","MoKα","","0.0545","0.0403","","","0.0901","0.0952","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017442","7.3188","0.0006","8.5847","0.0007","10.1033","0.0008","96.487","0.001","98.756","0.002","107.62","0.001","589.37","0.08","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)","","- C24 H22 Cu N4 O8 -","- C24 H22 Cu N4 O8 -","- C24 H22 Cu N4 O8 -","1","0.5","KU3016","Wang, Ziliang; Wei, Linheng","Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) and bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section C","2009","65","12","m481","m484","10.1107/S0108270109048203","","","0.71073","MoKα","","0.0304","0.028","","","0.0677","0.069","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017443","14.386","0.0002","15.262","0.0004","24.6922","0.0005","90","","113.288","0.002","90","","4979.71","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) monohydrate","","- C24 H28 Cu N4 O5 -","- C24 H28 Cu N4 O5 -","- C192 H224 Cu8 N32 O40 -","8","2","KU3016","Wang, Ziliang; Wei, Linheng","Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-κ<i>O</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) and bis(3-methylbenzoato-κ<i>N</i>)bis(4-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section C","2009","65","12","m481","m484","10.1107/S0108270109048203","","","0.71073","MoKα","","0.0938","0.0466","","","0.0958","0.1083","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017444","14.9475","0.0012","16.5004","0.0011","21.4067","0.0015","90","","108.427","0.006","90","","5009","0.7","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-acesulfamato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>- bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]","","- C40 H44 Cd2 N8 O16 S4 -","- C40 H44 Cd2 N8 O16 S4 -","- C160 H176 Cd8 N32 O64 S16 -","4","0.5","LG3020","Şahin, Zarife Sibel; İçbudak, Hasan; Işık, Şamil","Di-μ-acesulfamato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]","Acta Crystallographica Section C","2009","65","12","m463","m465","10.1107/S0108270109044515","","","0.71073","MoKα","","0.05","0.0315","","","0.0669","0.072","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017445","9.147","0.0004","11.1289","0.0004","15.2605","0.0006","90","","100.231","0.001","90","","1528.76","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-formyl-7-hydroxy-3',3'-dimethylspiro[2<i>H</i>-chromene-2,1'(3'<i>H</i>)-2- benzofuran]","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","LG3023","Bulanov, Antony O.; Shcherbakov, Igor N.; Tupolova, Yulia P.; Popov, Leonid D.; Lukov, Vladimir V.; Kogan, Victor A.; Belikov, Pavel A.","A novel chelatofore functionalized spiropyran of the 2-oxaindane series","Acta Crystallographica Section C","2009","65","12","o618","o620","10.1107/S0108270109044771","","","0.71073","MoKα","","0.045","0.0382","","","0.0995","0.1048","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017446","9.7347","0.0001","19.2639","0.0003","9.7987","0.0001","90","","118.93","0.0008","90","","1608.22","0.04","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chromium thallium pentadecamolybdenum nonadecaselenide","","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr1.453 Mo15 Se19 Tl1.87 -","- Cr2.906 Mo30 Se38 Tl3.74 -","2","0.5","LG3024","Gougeon, P.; Salloum, D.; Potel, M.","Cr~1.45~Tl~1.87~Mo~15~Se~19~, a monoclinic variant of the hexagonal In~3~Mo~15~Se~19~ type","Acta Crystallographica Section C","2009","65","12","i87","i90","10.1107/S0108270109047301","","","0.71069","MoKα","","0.0925","0.0489","","","0.0785","0.0865","","","","","","1.49","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017447","24.517","0.006","4.0505","0.0011","16.222","0.004","90","","127.924","0.002","90","","1270.8","0.6","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-((3-nitrophenylamino)methyl)-3-nitrobenzenamine","<i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C52 H48 N16 O16 -","4","0.5","LN3134","Zhang, Zhenfeng; Wang, Siqian; Zhang, Guisheng","Double anomeric effects and a hydrogen-bonded supramolecular motif in <i>N</i>,<i>N</i>'-bis(3-nitrophenyl)methanediamine","Acta Crystallographica Section C","2009","65","12","o615","o617","10.1107/S0108270109045788","","","0.71073","MoKα","","0.0635","0.0509","","","0.1357","0.1481","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017448","11.1891","0.0011","7.4401","0.0007","21.359","0.002","90","","90","","90","","1778.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C72 H56 N24 O8 S8 -","8","1","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0366","0.0296","","","0.0777","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017449","8.1257","0.0004","11.3239","0.0005","11.386","0.0005","90","","99.363","0.001","90","","1033.72","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-phenyl-2,3-dihydro-7<i>H</i>-1,3-thiazolo[3,2-<i>b</i>][1,2,4]triazin-7-one","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","2","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKα","","0.0242","0.0236","","","0.0603","0.0609","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017450","21.627","0.003","8.1222","0.001","11.8888","0.0015","90","","104.638","0.002","90","","2020.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-phenyl-6,7-dihydro-4<i>H</i>-1,3-thiazolo[2,3-<i>c</i>][1,2,4]triazin-4-one","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C88 H72 N24 O8 S8 -","8","2","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0535","0.0401","","","0.0944","0.101","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017451","7.528","0.002","8.744","0.004","12.695","0.011","90","","100.15","0.04","90","","822.6","0.8","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-allolactoside monohydrate","Methyl β-allolactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","MX3023","Klepach, Thomas E.; Reed, Meredith; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-allolactoside [methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 6)-β-<small>D</small>-glucopyranoside] monohydrate","Acta Crystallographica Section C","2009","65","12","o601","o606","10.1107/S0108270109042310","","","0.7749","synchrotron","","0.0551","0.0491","","","0.1175","0.1212","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017452","8.7749","0.0007","21.8204","0.0017","13.574","0.0011","90","","105.479","0.001","90","","2504.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)- 1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)}","","- C54 H32 Cd2 Cl2 F2 N8 O10 -","- C54 H32 Cd2 Cl2 F2 N8 O10 -","- C108 H64 Cd4 Cl4 F4 N16 O20 -","2","0.5","SK3340","Wang, Xiu-Yan; Wang, Ming; Ma, Xiao-Yuan","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)} and its zinc(II) analogue","Acta Crystallographica Section C","2009","65","12","m459","m462","10.1107/S0108270109044886","","","0.71073","MoKα","","0.0559","0.0366","","","0.0791","0.0866","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017453","8.695","0.003","21.72","0.006","13.211","0.004","90","","104.655","0.005","90","","2413.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)- 1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]zinc(II)}","","- C54 H32 Cl2 F2 N8 O10 Zn2 -","- C54 H32 Cl2 F2 N8 O10 Zn2 -","- C108 H64 Cl4 F4 N16 O20 Zn4 -","2","0.5","SK3340","Wang, Xiu-Yan; Wang, Ming; Ma, Xiao-Yuan","Bis(μ-benzene-1,2-dicarboxylato)bis{aqua[2-(2-chloro-6-fluorophenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]cadmium(II)} and its zinc(II) analogue","Acta Crystallographica Section C","2009","65","12","m459","m462","10.1107/S0108270109044886","","","0.71073","MoKα","","0.0904","0.0499","","","0.0988","0.1158","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017454","5.6201","0.0004","11.3645","0.0009","19.0281","0.0016","90","","96.659","0.004","90","","1207.12","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-5-(prop-1-ynyl)-pyrimidin- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","2","SK3346","Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","2'-Deoxy-5-propynyluridine: a nucleoside with two conformations in the asymmetric unit","Acta Crystallographica Section C","2009","65","12","o645","o648","10.1107/S0108270109044850","","","0.71073","MoKα","","0.0386","0.033","","","0.0846","0.0884","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017455","10.371","0.002","9.18","0.002","19.084","0.004","90","","90.209","0.004","90","","1816.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-bis[(<i>E</i>)-quinoxalin-2-ylmethylidene]propane-1,3-diamine","","- C21 H18 N6 -","- C21 H18 N6 -","- C84 H72 N24 -","4","0.5","SK3348","Varghese, Digna; Arun, V.; Robinson, P. P.; Sebastian, Manju; Leeju, P.; Varsha, G.; Yusuff, K. K. M.","Two novel bis-azomethines derived from quinoxaline-2-carbaldehyde","Acta Crystallographica Section C","2009","65","12","o612","o614","10.1107/S0108270109045168","","","0.71073","MoKα","","0.0921","0.076","","","0.161","0.1689","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017456","4.4819","0.0012","5.3333","0.0014","39.456","0.01","90","","92.266","0.004","90","","942.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis[(<i>E</i>)-quinoxalin-2-ylmethylidene]butane-1,4-diamine","","- C22 H20 N6 -","- C22 H20 N6 -","- C44 H40 N12 -","2","0.5","SK3348","Varghese, Digna; Arun, V.; Robinson, P. P.; Sebastian, Manju; Leeju, P.; Varsha, G.; Yusuff, K. K. M.","Two novel bis-azomethines derived from quinoxaline-2-carbaldehyde","Acta Crystallographica Section C","2009","65","12","o612","o614","10.1107/S0108270109045168","","","0.71073","MoKα","","0.0839","0.0712","","","0.1784","0.1862","","","","","","1.14","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017457","10.412","0.003","14.466","0.003","15.411","0.004","90","","98.956","0.002","90","","2292.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aqua(11-chloropyrido[2',3':2,3]pyrimidino[5,6- <i>f</i>][1,10]peneanthroline-κ^2^<i>N</i>^4^,<i>N</i>^5^)cadmium(II)]- μ-benzene-1,4-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]","","- C25 H14 Cd Cl N5 O5 -","- C25 H14 Cd Cl N5 O5 -","- C100 H56 Cd4 Cl4 N20 O20 -","4","1","SQ3222","Kong, Zhi-Guo; Wang, Ming; Ma, Xiao-Yuan; Wang, Qing-Wei","<i>catena</i>-Poly[[aqua(11-chloropyrido[2',3':2,3]pyrimidino[5,6-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^4^,<i>N</i>^5^)cadmium(II)]-μ-benzene-1,4-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]: an inclined interpenetrating (6,3) network","Acta Crystallographica Section C","2009","65","12","m472","m474","10.1107/S0108270109045235","","","0.71073","MoKα","","0.0604","0.0316","","","0.0629","0.0663","","","","","","0.889","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017458","15.1836","0.0017","11.3719","0.0013","13.5342","0.0016","90","","115.447","0.001","90","","2110.2","0.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato- κ^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]","","- C24 H14 N4 O8 Pb -","- C24 H14 N4 O8 Pb -","- C96 H56 N16 O32 Pb4 -","4","0.5","SQ3226","Xie, Cheng-Zhi; Qiao, Xin; Xue, Fei; Xu, Jing-Yuan","Poly[bis(μ~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato-κ^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]","Acta Crystallographica Section C","2009","65","12","m491","m493","10.1107/S0108270109047015","","","0.71073","MoKα","","0.0209","0.02","","","0.0488","0.0492","","","","","","1.094","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017459","11.1693","0.0004","10.2261","0.0003","9.0551","0.0003","90","","102.799","0.003","90","","1008.56","0.06","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate","","- C7 H8 N2 O4 S2 -","- C7 H8 N2 O4 S2 -","- C28 H32 N8 O16 S8 -","4","1","UK3015","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","2,3-Dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate and 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","12","o624","o629","10.1107/S0108270109045673","","","0.71073","MoKα","","0.0349","0.0313","","","0.0855","0.0897","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017460","18.9085","0.0011","8.236","0.0006","12.9684","0.001","90","","121.605","0.009","90","","1720","0.3","291","0.3","291","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate","","- C7 H6 N2 O3 S2 -","- C7 H6 N2 O3 S2 -","- C56 H48 N16 O24 S16 -","8","1","UK3015","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","2,3-Dihydro-1,3-benzothiazol-2-iminium monohydrogen sulfate and 2-iminio-2,3-dihydro-1,3-benzothiazole-6-sulfonate: a combined structural and theoretical study","Acta Crystallographica Section C","2009","65","12","o624","o629","10.1107/S0108270109045673","","","0.71073","MoKα","","0.0346","0.034","","","0.0879","0.0886","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017461","9.817","0.002","9.741","0.003","11.012","0.002","90","","101.76","0.02","90","","1030.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","lithium cobalt(II/III) bis(diphosphate)","","- Co1.97 Li4.03 O14 P4 -","- Co1.969 Li4.021 O14 P4 -","- Co7.876 Li16.084 O56 P16 -","4","1","DN3129","Kouass, Salah; Guesmi, Abderrahmen; Driss, Ahmed","Le phosphate de cobalt et de lithium à valence mixte Li~4+<i>x~</i>Co~2{-~<i>x</i>}(P~2~O~7~)~2~ (<i>x</i> = 0,03): étude structurale et analyse de distribution de charge","Acta Crystallographica Section C","2010","66","1","i4","i6","10.1107/S0108270109052810","","","0.71073","MoKα","","0.0504","0.0377","","","0.0942","0.1002","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017462","6.961","0.0014","7.038","0.0014","13.322","0.003","94.82","0.02","103.75","0.03","92.58","0.02","630.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-aqua[μ~3~-1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1- yl)ethylidenediphosphonato]potassium(I)] monohydrate]","","- C5 H13 K N2 O9 P2 -","- C5 H13 K N2 O9 P2 -","- C10 H26 K2 N4 O18 P4 -","2","1","DN3131","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. I. Poly[[μ~2~-aqua[μ~3~-1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)] monohydrate]","Acta Crystallographica Section C","2010","66","1","m13","m16","10.1107/S0108270109054006","","","0.71073","MoKα","","0.0281","0.0259","","","0.0686","0.0698","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017463","6.7339","0.0011","15.469","0.004","21.327","0.004","90","","90","","90","","2221.6","0.8","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-amino-7-methoxy-1,4-dihydroquinoxaline-2,3-dione hydrochloride hydrate","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C72 H96 Cl8 N24 O32 -","8","1","DN3132","Brüning, Jürgen; Peters, Alexander; Bats, Jan W.; Schmidt, Martin U.","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","Acta Crystallographica Section C","2010","66","1","o1","o4","10.1107/S0108270109050197","","","0.71073","MoKα","","0.1465","0.0538","","","0.0918","0.1174","","","","","","0.993","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017464","7.5571","0.0002","7.7903","0.0003","29.8324","0.0008","90","","90","","90","","1756.3","0.09","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0257","0.0249","","","0.0619","0.0622","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017465","7.6062","0.0003","7.6426","0.0003","30.3987","0.0011","90","","90","","90","","1767.11","0.12","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0369","0.0347","","","0.0868","0.0878","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017466","10.4969","0.0017","9.855","0.0009","12.6739","0.0016","90","","99.883","0.009","90","","1291.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5- dihydrofuran-2(3<i>H</i>)-one","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","FA3210","Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","A simple hydrogen-bonded chain in (3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","Acta Crystallographica Section C","2010","66","1","o25","o28","10.1107/S0108270109052846","","","0.71073","MoKα","","0.0906","0.0481","","","0.1064","0.1277","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017467","8.0402","0.0011","8.2025","0.0017","15.348","0.003","91.999","0.014","99.785","0.012","99.172","0.015","982.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5- dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5- dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","","- C20 H26 N6 O4 -","- C20 H26 N6 O4 -","- C40 H52 N12 O8 -","2","1","FA3210","Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","A simple hydrogen-bonded chain in (3<i>Z</i>)-3-{1-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3<i>Z</i>)-3-{1-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3<i>H</i>)-one‒6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1)","Acta Crystallographica Section C","2010","66","1","o25","o28","10.1107/S0108270109052846","","","0.71073","MoKα","","0.0776","0.0462","","","0.1065","0.1232","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017468","7.9772","0.0002","10.0023","0.0004","10.8409","0.0005","93.693","0.002","93.562","0.003","99.196","0.002","849.8","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4- (dimethylamino)phenyl]acrylamide","","- C18 H19 N5 O3 -","- C18 H19 N5 O3 -","- C36 H38 N10 O6 -","2","1","FA3211","Quiroga, Jairo; Gálvez, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide: a π-stacked dimer and a hydrogen-bonded ribbon containing three types of ring","Acta Crystallographica Section C","2010","66","1","o39","o43","10.1107/S0108270109053785","","","0.71073","MoKα","","0.0682","0.0471","","","0.1194","0.1327","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017469","8.152","0.0005","9.2984","0.0008","9.7299","0.0008","69.609","0.003","70.741","0.004","79.447","0.005","650.69","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8- hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C24 H30 N10 O6 -","2","1","FA3211","Quiroga, Jairo; Gálvez, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-<i>d</i>]pyrimidin-8-ide: a π-stacked dimer and a hydrogen-bonded ribbon containing three types of ring","Acta Crystallographica Section C","2010","66","1","o39","o43","10.1107/S0108270109053785","","","0.71073","MoKα","","0.1098","0.065","","","0.1617","0.1938","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017470","5.13763","0.00008","8.1188","0.00012","9.75293","0.0001","73.126","0.001","76.885","0.001","76.025","0.001","372.346","0.009","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","","- C6 H6 F6 Mn N2 O6 S2 -","- C6 H6 F6 Mn N2 O6 S2 -","- C6 H6 F6 Mn N2 O6 S2 -","1","0.5","FG3146","Lutz, Martin; Schreurs, Antoine M. M.; Spek, Anthony L.; Moelands, Marcel A. H.; Klein Gebbink, Robertus J. M.","<i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2010","66","1","m9","m12","10.1107/S0108270109053281","","","0.71073","MoKα","","0.0183","0.0178","","","0.0475","0.0478","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017471","16.638","0.003","13.609","0.002","15.214","0.003","90","","121.309","0.002","90","","2943.2","0.9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potasium barium magnesium borate fluoride","","- B14 Ba7 F5 K Mg2 O28 -","- B14 Ba6.999 F5 K1.001 Mg2 O28 -","- B56 Ba27.996 F20 K4.004 Mg8 O112 -","4","0.5","FN3043","Li, R. K.; Chen, Peng","KBa~7~Mg~2~B~14~O~28~F~5~, a new borate with an unusual heptaborate group and double perovskite unit","Acta Crystallographica Section C","2010","66","1","i7","i8","10.1107/S0108270109054341","","","0.71073","MoKα","","0.0255","0.0213","","","0.0397","0.0411","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017472","11.2449","0.0004","6.0053","0.0002","29.0699","0.0011","90","","96.428","0.0017","90","","1950.72","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C112 H72 N8 O8 -","4","0.5","GD3316","Fourati, M. Amine; Maris, Thierry; Bazuin, C. Géraldine; Prud'homme, Robert E.","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375K","Acta Crystallographica Section C","2010","66","1","o11","o14","10.1107/S0108270109050379","","","1.54178","CuKα","","0.0358","0.0322","","","0.0874","0.0905","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017473","11.3459","0.0005","6.0578","0.0003","29.6234","0.0015","90","","95.073","0.003","90","","2028.08","0.17","375","","375","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C112 H72 N8 O8 -","4","0.5","GD3316","Fourati, M. Amine; Maris, Thierry; Bazuin, C. Géraldine; Prud'homme, Robert E.","(<i>E</i>)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375K","Acta Crystallographica Section C","2010","66","1","o11","o14","10.1107/S0108270109050379","","","1.54178","CuKα","","0.0704","0.0584","","","0.1683","0.1763","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017474","10.8346","0.0014","7.4952","0.0009","24.621","0.003","90","","90","","90","","1999.4","0.4","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate","","- C11 H12 N3 O1.5 -","- C11 H12 N3 O1.5 -","- C88 H96 N24 O12 -","8","1","GG3225","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of <i>R</i>~10~^8^(34) rings","Acta Crystallographica Section C","2010","66","1","o47","o49","10.1107/S0108270109053906","","","0.71073","MoKα","","0.0934","0.0551","","","0.112","0.1263","","","","","","1.158","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017475","6.3784","0.0015","12.793","0.002","18.014","0.005","90","","97.28","0.02","90","","1458.1","0.6","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentamethylbenzophenone","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.0786","0.0566","","","0.1572","0.1772","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017476","10.7926","0.0018","14.931","0.002","7.8275","0.0011","90","","90","","90","","1261.4","0.3","299","2","299","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-diphenylbutan-1-one","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.0438","0.0382","","","0.1088","0.1152","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017477","9.2288","0.001","12.0541","0.0014","18.821","0.002","90","","90.021","0.009","90","","2093.7","0.4","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4,6-triisopropyl-4'-methoxybenzophenone‒ 3,5-diisopropyl-7-(4-methoxyphenyl)-8,8-dimethylbicyclo[4.2.0]octa-1,3,5- trien-7-ol (9/1)","","- C23 H30 O2 -","- C23 H29.588 O2 -","- C92 H118.352 O8 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.1463","0.0657","","","0.1756","0.2316","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017478","6.416","0.0007","7.9559","0.0008","11.9569","0.0012","77.574","0.007","80.837","0.007","75.518","0.006","573.51","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Narconumal, Enallylpropymal","5-allyl-5-isopropyl-1-methylbarbituric acid","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C22 H32 N4 O6 -","2","1","JZ3168","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","Hydrogen-bond motifs in <i>N</i>-monosubstituted derivatives of barbituric acid: 5-allyl-5-isopropyl-1-methylbarbituric acid (enallylpropymal) and 1,5-di(but-2-enyl)-5-ethylbarbituric acid","Acta Crystallographica Section C","2010","66","1","o55","o58","10.1107/S0108270109054249","","","0.71073","MoKα","","0.1257","0.0709","","","0.1022","0.1144","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017479","10.2825","0.0011","13.2972","0.0016","10.3959","0.001","90","","92.999","0.007","90","","1419.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-di(but-2-enyl)-5-ethylbarbituric acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","JZ3168","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","Hydrogen-bond motifs in <i>N</i>-monosubstituted derivatives of barbituric acid: 5-allyl-5-isopropyl-1-methylbarbituric acid (enallylpropymal) and 1,5-di(but-2-enyl)-5-ethylbarbituric acid","Acta Crystallographica Section C","2010","66","1","o55","o58","10.1107/S0108270109054249","","","0.71073","MoKα","","0.1693","0.0796","","","0.1096","0.1271","","","","","","1.209","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017480","10.696","0.001","9.281","0.001","16.741","0.001","90","","110.39","0.02","90","","1557.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis(2-pyridylthiomethyl)pyridine","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.0317","0.0282","","","","0.0804","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017481","7.946","0.001","9.842","0.001","12.503","0.001","69.829","0.002","75.053","0.002","80.807","0.002","884.06","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(6-methyl-2-pyridylthiomethyl)pyridine","","- C19 H19 N3 S2 -","- C19 H19 N3 S2 -","- C38 H38 N6 S4 -","2","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.034","0.0319","","","","0.0892","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017482","7.407","0.001","11.1","0.001","12.428","0.001","95.91","0.01","99.8","0.01","97.31","0.01","990.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(4-methyl-2-pyrimidylthiomethyl)pyridine n-pentane hemisolvate","","- C19.5 H23 N5 S2 -","- C19.5 H23 N5 S2 -","- C39 H46 N10 S4 -","2","1","KU3018","Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Di Pietro, Santo","Dithioether ligands containing a 2,6-disubstituted pyridine linker with two thioether-heterocycle arms","Acta Crystallographica Section C","2010","66","1","o15","o19","10.1107/S0108270109051543","","","0.71073","MoKα","","0.0505","0.0442","","","","0.1349","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017483","9.0227","0.001","10.4548","0.0011","13.2014","0.0014","98.705","0.002","108.738","0.002","111.873","0.002","1041.1","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib monohydrate","<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine monohydrate","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C44 H50 N6 O10 -","2","1","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0487","0.043","","","0.1135","0.1195","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017484","7.6285","0.0008","10.2252","0.001","14.6525","0.0014","86.076","0.002","84.925","0.002","70.559","0.002","1072.62","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib hemioxalate","4-amino-<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-1-ium hemioxalate","","- C46 H48 N6 O12 -","- C46 H48 N6 O12 -","- C46 H48 N6 O12 -","1","0.5","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0857","0.0666","","","0.1338","0.1422","","","","","","1.168","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017485","7.967","0.002","13.248","0.004","13.745","0.004","108.916","0.005","106.673","0.005","101.909","0.005","1240.9","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Erlotinib fumaric acid hemisolvate dihydrate","<i>N</i>-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine fumaric acid hemisolvate dihydrate","","- C24 H29 N3 O8 -","- C24 H29 N3 O8 -","- C48 H58 N6 O16 -","2","1","SF3120","Sridhar, B.; Ravikumar, K.; Krishnan, Harihara; Singh, A. N.","Multicomponent crystals of erlotinib","Acta Crystallographica Section C","2010","66","1","o33","o38","10.1107/S0108270109052470","","","0.71073","MoKα","","0.0678","0.0535","","","0.1303","0.1396","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017486","7.3073","0.0012","12.1065","0.0013","14.541","0.002","90","","90","","90","","1286.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-aminopyridinium hydrogen L-tartrate dihydrate","3-aminopyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate dihydrate","","- C9 H16 N2 O8 -","- C9 H16 N2 O8 -","- C36 H64 N8 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0485","0.0386","","","0.0942","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017487","6.5792","0.0002","7.7637","0.0002","21.683","0.0005","90","","90","","90","","1107.54","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinic acid hydrogen L-tartrate","3-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","","- C10 H11 N O8 -","- C10 H11 N O8 -","- C40 H44 N4 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0377","0.0294","","","0.0644","0.0662","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017488","7.1536","0.0004","7.8273","0.0003","22.0145","0.001","90","","90","","90","","1232.67","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","picolinic acid hydrogen L-tartrate monohydrate","2-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C10 H13 N O9 -","- C10 H13 N O9 -","- C40 H52 N4 O36 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0608","0.047","","","0.1021","0.1067","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017489","5.7799","0.0002","9.9485","0.0003","13.0849","0.0005","83.343","0.002","86.652","0.002","77.128","0.002","728.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)prop-2- enone","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C38 H28 N4 O8 -","2","1","SK3356","Abonía, Rodrigo; Cuervo, Paola; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)prop-2-enone: a sheet built by π-stacking of hydrogen-bonded chains of rings","Acta Crystallographica Section C","2010","66","1","o44","o46","10.1107/S0108270109053554","","","0.71073","MoKα","","0.0543","0.0426","","","0.1022","0.1115","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017490","9.2153","0.0016","15.299","0.003","51.544","0.008","90","","90","","90","","7267","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hydronium tetrakis[(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)- 3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate] pentakis[tetrachloridoaurate(III)] hexahydrate","","- C36 H79 Au5 Cl20 N4 O19 -","- C36 H59 Au5 Cl20 N4 O19 -","- C144 H236 Au20 Cl80 N16 O76 -","4","1","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.041","0.04","","","0.098","0.099","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017491","10.0276","0.0001","15.7339","0.0002","18.6416","0.0002","90","","90","","90","","2941.15","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)-3-hydroxy-8-methyl-8- azoniabicyclo[3.2.1]octane-2-carboxylate tetrachloridoaurate(III)","","- C9 H16 Au Cl4 N O3 -","- C9 H16 Au Cl4 N O3 -","- C72 H128 Au8 Cl32 N8 O24 -","8","2","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.019","0.018","","","0.046","0.047","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017492","11.674","0.002","8.623","0.0017","23.318","0.005","90","","98.97","0.03","90","","2318.6","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diammonium <i>closo</i>-decahydrodecaborate sesquihydrate","","- B10 H21 N2 O1.5 -","- B10 H21 N2 O1.5 -","- B80 H168 N16 O12 -","8","2","SQ3215","Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Meyers, Edward A.; Shore, Sheldon G.; Zhao, Ji-Cheng","Intermolecular dihydrogen- and hydrogen-bonding interactions in diammonium <i>closo</i>-decahydrodecaborate sesquihydrate","Acta Crystallographica Section C","2010","66","1","m1","m3","10.1107/S0108270109040815","","","0.71073","MoKα","","0.0803","0.0446","","","0.1076","0.1211","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017493","5.0381","0.0006","5.0381","0.0006","15.155","0.0019","90","","90","","120","","333.13","0.07","295","2","295","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","cadmium dizinc potassium borate fluoride","","- B2 Cd F K O6 Zn2 -","- B2 Cd F K O6 Zn2 -","- B4 Cd2 F2 K2 O12 Zn4 -","2","0.166667","SQ3218","Zhang, Fan; Jiao, Zhi-Wei; Shen, De-Zhong; Shen, Guang-Qiu; Wang, Xiao-Qing","CdZn~2~KB~2~O~6~F, a new fluoride borate crystal","Acta Crystallographica Section C","2010","66","1","i1","i3","10.1107/S0108270109050069","","","0.71073","MoKα","","0.04","0.0374","","","0.0816","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017494","8.581","0.003","13.862","0.001","17.17","0.004","90","","104.53","0.02","90","","1977","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-cyanophenylimino)triphenylphosphorane","","- C25 H19 N2 P -","- C25 H19 N2 P -","- C100 H76 N8 P4 -","4","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0852","0.0367","","","0.0801","0.0945","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017495","9.118","0.002","17.536","0.004","14.245","0.004","90","","117.591","0.017","90","","2018.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-nitrophenylimino)triphenylphosphorane","","- C24 H19 N2 O2 P -","- C24 H19 N2 O2 P -","- C96 H76 N8 O8 P4 -","4","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0542","0.0324","","","","0.0894","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017496","9.001","0.002","9.77","0.007","12.098","0.005","84.34","0.004","78.19","0.004","78.41","0.003","1018.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3-nitrophenylimino)triphenylphosphorane","","- C24 H19 N2 O2 P -","- C24 H19 N2 O2 P -","- C48 H38 N4 O4 P2 -","2","1","UK3009","De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank","Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes","Acta Crystallographica Section C","2010","66","1","o50","o54","10.1107/S0108270109047763","","","0.71073","MoKα","","0.0484","0.0392","","","0.1036","0.1099","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017497","13.793","0.0012","13.5544","0.0012","17.9574","0.0016","90","","90","","90","","3357.2","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Granisetron","1-methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0491","0.043","","","0.1179","0.1283","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017498","9.6311","0.0009","9.9794","0.0009","16.0133","0.0014","92.611","0.001","103.449","0.001","118.037","0.001","1299.5","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","diaqua[1-methyl-<i>N</i>-(9-methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide]cobalt(II) tetrachloride dodecahydrate","","- C36 H78 Cl4 Co N8 O16 -","- C36 H78 Cl4 Co N8 O16 -","- C36 H78 Cl4 Co N8 O16 -","1","0.5","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0416","0.0382","","","0.1058","0.1139","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017499","9.059","0.002","10.238","0.003","10.983","0.002","74.18","0.02","76.324","0.018","71.74","0.02","917.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-{2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4-oxo-4,5-dihydro- 1,3-thiazol-5-ylidene}acetate","","- C20 H16 N4 O3 S -","- C20 H16 N4 O3 S -","- C40 H32 N8 O6 S2 -","2","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.1145","0.0398","","","0.0622","0.0786","","","","","","0.889","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017500","4.7035","0.0002","18.5073","0.0004","9.1172","0.0002","90","","102.689","0.003","90","","774.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4<i>H</i>-1,3- thiazin-4-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.0548","0.0417","","","0.0909","0.0953","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017501","8.6535","0.0005","18.6374","0.0009","7.835","0.0006","90","","99.372","0.006","90","","1246.75","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9,10-dihydroacridin-9-ylidene)thiosemicarbazide","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C56 H48 N16 S4 -","4","1","DN3135","Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas","4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives","Acta Crystallographica Section C","2010","66","2","o87","o92","10.1107/S0108270110001277","","","0.71073","MoKα","","0.1078","0.0398","","","0.0696","0.0766","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017502","19.696","0.002","5.3916","0.0008","14.209","0.0016","90","","105.203","0.002","90","","1456.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]","","- C14 H4 N2 O8 Pb2 -","- C14 H4 N2 O8 Pb2 -","- C56 H16 N8 O32 Pb8 -","4","0.5","EG3035","Zhou, Su-Ping; Wu, Xu-Xian; Zu, Chao; Chen, Zi-Lu; Liang, Fu-Pei","Poly[μ~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]","Acta Crystallographica Section C","2010","66","2","m26","m28","10.1107/S0108270109053736","","","0.71073","MoKα","","0.0384","0.0331","","","0.0841","0.087","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017503","7.3048","0.0011","7.3048","0.0011","6.9003","0.0014","90","","90","","120","","318.87","0.09","294","2","294","2","","","","","","","","3","P 31","P 31","144","","5-ammoniomethyl-1<i>H</i>-tetrazolide","","- C2 H5 N5 -","- C2 H5 N5 -","- C6 H15 N15 -","3","1","EG3037","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex","Acta Crystallographica Section C","2010","66","2","m22","m25","10.1107/S0108270109055164","","","0.71073","MoKα","","0.0296","0.0291","","","0.0775","0.0781","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017504","7.0452","0.0018","8.907","0.002","9.059","0.002","90","","107.8","0.02","90","","541.3","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[bis(μ~2~-5-aminomethyl-1<i>H</i>-tetrazolido- κ^3^<i>N</i>^1^,<i>N</i>5:<i>N</i>^4^)copper(II)] dihydrate]","","- C4 H12 Cu N10 O2 -","- C4 H12 Cu N10 O2 -","- C8 H24 Cu2 N20 O4 -","2","0.5","EG3037","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex","Acta Crystallographica Section C","2010","66","2","m22","m25","10.1107/S0108270109055164","","","0.71073","MoKα","","0.0298","0.0251","","","0.0717","0.0764","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017505","8.3742","0.0002","10.1785","0.0002","11.6146","0.0002","74.958","0.001","84.717","0.001","66.701","0.001","878.04","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^5^)dioxidouranium(VI) dihydrate","","- C9 H12 I N O11 S U -","- C9 H14 I N O11 S U -","- C18 H28 I2 N2 O22 S2 U2 -","2","1","EM3028","Sasikumar, Pandian; Muthiah, Packianathan Thomas","Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^8^)dioxidouranium(VI) dihydrate","Acta Crystallographica Section C","2010","66","2","m48","m50","10.1107/S0108270109054092","","","0.71073","MoKα","","0.0317","0.026","","","0.0572","0.0591","","","","","","1.037","","","","has coordinates,has Fobs","189213","2020-10-21","18:00:00",""
"2017506","5.8737","0.0009","9.2927","0.0011","9.6759","0.0011","113.04","0.011","90.834","0.013","100.401","0.012","475.9","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","caesium(I) 3-cyano-4-dicyanomethylene-2,5-dioxopyrrolidin-3-ide","","- C8 H Cs N4 O2 -","- C8 H Cs N4 O2 -","- C16 H2 Cs2 N8 O4 -","2","1","FG3147","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Fazylbekov, Marat F.; Baranov, Andrey N.; Aslanov, Leonid A.","Luminescence properties of the structure built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and caesium(I)","Acta Crystallographica Section C","2010","66","2","m32","m34","10.1107/S0108270109055097","","","0.71073","MoKα","","0.086","0.0534","","","0.1183","0.1343","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017507","10.1264","0.001","28.487","0.003","11.3835","0.0011","90","","90","","90","","3283.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'- bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","","- C76 H56 Co2 N4 O18 -","- C38 H28 Co N2 O9 -","- C152 H112 Co4 N8 O36 -","4","1","FN3036","Zhan, Ge; Li, Xin-Hua","Poly[[<i>trans</i>-diaquabis(μ~2~-biphenyl-2,2'-dicarboxylato)bis(μ~2~-4,4'-bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]","Acta Crystallographica Section C","2010","66","2","m29","m31","10.1107/S0108270109044205","","","0.71073","MoKα","","0.052","0.0452","","","0.0971","0.1003","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017508","7.4496","0.0001","10.0211","0.0002","18.4713","0.0004","90","","99.42","0.001","90","","1360.35","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]","","- C18 H28 Cl8 Cu3 N2 -","- C18 H28 Cl8 Cu3 N2 -","- C36 H56 Cl16 Cu6 N4 -","2","0.5","GA3139","Bond, Marcus R.","<i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]: an alternating zigzag chain of CuCl~4~ and Cu~2~Cl~6~ complexes","Acta Crystallographica Section C","2010","66","2","m17","m21","10.1107/S0108270109054560","","","0.71073","MoKα","","0.0775","0.0459","","","0.1136","0.1286","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017509","5.11","0.0009","9.946","0.003","12.107","0.003","100.54","0.02","93.9","0.02","103.53","0.02","584.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","1","0.5","GD3326","Kuś, Piotr; Borek, Jerzy; Jones, Peter G.","Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","Acta Crystallographica Section C","2010","66","2","o93","o96","10.1107/S0108270110001952","","","1.54184","CuKα","","0.0569","0.0529","","","0.1566","0.1615","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017510","11.5899","0.0006","16.7899","0.0008","13.4785","0.0008","90","","114.667","0.006","90","","2383.5","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","1","GD3326","Kuś, Piotr; Borek, Jerzy; Jones, Peter G.","Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","Acta Crystallographica Section C","2010","66","2","o93","o96","10.1107/S0108270110001952","","","1.54184","CuKα","","0.0551","0.0549","","","0.1524","0.1525","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017511","14.6031","0.0006","6.2725","0.0003","22.6997","0.0012","90","","90","","90","","2079.25","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3<i>Z</i>)-3-(1<i>H</i>-pyrrol-2-ylmethylidene)-1<i>H</i>-indol- 2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0817","0.053","","","0.0998","0.1104","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017512","11.9297","0.0005","10.8294","0.0006","16.6986","0.0009","90","","90","","90","","2157.32","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(3<i>Z</i>)-3-(2-thienylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0706","0.0539","","","0.113","0.1245","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017513","19.225","0.0007","5.0503","0.0003","22.1886","0.0014","90","","90","","90","","2154.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(3<i>E</i>)-3-(2-furylmethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one monohydrate","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0854","0.0518","","","0.1057","0.1175","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017514","9.7504","0.0003","10.2281","0.0003","14.053","0.0005","95.766","0.002","107.842","0.002","96.617","0.002","1311.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(1-methylethylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C11 H11 N O -","- C11 H11 N O -","- C66 H66 N6 O6 -","6","3","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.1204","0.0788","","","0.1445","0.1681","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017515","10.6939","0.0002","17.2595","0.0004","12.7714","0.0003","90","","108.322","0.001","90","","2237.73","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-methylethylidene)-2-oxo-2,3-dihydro-1<i>H</i>-indole-1-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C104 H104 N8 O24 -","8","2","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0723","0.0488","","","0.1206","0.1344","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017516","5.3732","0.0001","13.4962","0.0004","15.8088","0.0005","95.389","0.001","98.498","0.002","101.201","0.002","1103.32","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-cyclohexylidene-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","2","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.094","0.066","","","0.1199","0.1347","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017517","9.5406","0.0002","8.4295","0.0002","12.4103","0.0003","90","","101.956","0.002","90","","976.42","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","spiro[1,3-dioxane-2,3'-indolin]-2'-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.048","0.0386","","","0.0967","0.1032","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017518","20.1789","0.0004","20.1789","0.0004","8.4712","0.0002","90","","90","","90","","3449.37","0.13","100","2","100","2","","","","","","","","3","I 4","I 4","79","","Methyl β-D-galactopyranosyl-(1→4)-α-D-mannopyranoside methanol 0.375-solvate","","- C13.375 H25.5 O11.375 -","- C13 H24 O11 -","- C104 H192 O88 -","8","1","GZ3172","Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate","Acta Crystallographica Section C","2010","66","2","o67","o70","10.1107/S0108270109055012","","","1.54178","CuKα","","0.0455","0.0436","","","0.1029","0.1037","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017519","7.8556","0.0005","8.4155","0.0005","9.155","0.0006","78.524","0.001","69.771","0.001","82.813","0.001","555.5","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-methylquinolin-8-olato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>; κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(thiocyanato-κ<i>N</i>)lead(II)]","","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","1","0.5","SF3124","Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Langer, Vratislav","Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate","Acta Crystallographica Section C","2010","66","2","m44","m47","10.1107/S010827011000096X","","","0.71073","MoKα","","0.0367","0.0303","","","0.0699","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017520","12.037","0.005","5.731","0.002","16.327","0.006","90","","90.368","0.007","90","","1126.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-methylquinolin-8-olato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>; κ^3^<i>O</i>:<i>N</i>,<i>O</i>)bis[(thiocyanato-κ<i>N</i>)lead(II)]","","- C22 H16 N4 O2 Pb2 S2 -","- C22 H16 N4 O2 Pb2 S2 -","- C44 H32 N8 O4 Pb4 S4 -","2","0.5","SF3124","Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Langer, Vratislav","Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate","Acta Crystallographica Section C","2010","66","2","m44","m47","10.1107/S010827011000096X","","","0.71073","MoKα","","0.0659","0.0381","","","0.0823","0.0898","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017521","9.4669","0.0006","9.9255","0.0006","13.4949","0.0008","90","","104.601","0.001","90","","1227.08","0.13","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate","","- C18 H36 Cl2 N2 O6 S -","- C18 H36 Cl2 N2 O6 S -","- C36 H72 Cl4 N4 O12 S2 -","2","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0316","0.0308","","","0.0828","0.0836","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017522","9.963","0.0016","10.6998","0.0017","26.324","0.004","90","","90","","90","","2806.2","0.8","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate ethanol solvate","","- C20 H42 Cl2 N2 O7 S -","- C20 H42 Cl2 N2 O7 S -","- C80 H168 Cl8 N8 O28 S4 -","4","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0518","0.0497","","","0.1173","0.1186","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017523","9.8325","0.0003","9.8649","0.0004","12.0365","0.0003","97.468","0.002","95.512","0.002","114.643","0.001","1037.44","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>- (4-methoxybenzyl)acetamide","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","SK3357","Castillo, Juan C.; Abonía, Rodrigo; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","<i>N</i>-(3-<i>tert</i>-Butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>-(4-methoxybenzyl)acetamide: a hydrogen-bonded chain of centrosymmetric rings","Acta Crystallographica Section C","2010","66","2","o64","o66","10.1107/S0108270109054602","","","0.71073","MoKα","","0.0581","0.0422","","","0.0945","0.1024","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017524","12.5465","0.0001","11.9181","0.0001","12.6531","0.0001","90","","96.7859","0.0006","90","","1878.77","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicaesium tris[oxidovanadate(IV)] hydrogenphosphate dihydrate","","- Cs2 O21 P4 V3 -","- Cs2 O21 P4 V3 -","- Cs8 O84 P16 V12 -","4","1","SQ3221","Gautier, Romain; Colin, Jean-François; Le Fur, Eric","Two caesium vanadium hydrogenphosphates with tunnelled structures: Cs~2~V~2~O~3~(PO~4~)(HPO~4~) and Cs~2~[(VO)~3~(HPO~4~)~4~(H~2~O)]·H~2~O","Acta Crystallographica Section C","2010","66","2","i12","i15","10.1107/S010827010905433X","","","0.71073","MoKα","","0.0668","0.039","","","0.0854","0.0952","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017525","8.918","0.0002","16.9479","0.0004","7.2199","0.0001","90","","99.092","0.001","90","","1077.52","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium divanadium trioxide phosphate hydrogenphosphate","","- Cs2 O11 P2 V2 -","- Cs2 O11 P2 V2 -","- Cs8 O44 P8 V8 -","4","1","SQ3221","Gautier, Romain; Colin, Jean-François; Le Fur, Eric","Two caesium vanadium hydrogenphosphates with tunnelled structures: Cs~2~V~2~O~3~(PO~4~)(HPO~4~) and Cs~2~[(VO)~3~(HPO~4~)~4~(H~2~O)]·H~2~O","Acta Crystallographica Section C","2010","66","2","i12","i15","10.1107/S010827010905433X","","","0.71073","MoKα","","0.0483","0.0328","","","0.0526","0.0548","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017526","8.8593","0.0008","7.1787","0.0006","10.7955","0.001","90","","91.671","0.001","90","","686.28","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","oxonium neodymium bis(sulfate)","","- H3 Nd O9 S2 -","- H3 Nd O9 S2 -","- H12 Nd4 O36 S8 -","4","1","SQ3229","Zhang, Zaichao; Zhang, Zhibin","(H~3~O)Nd(SO~4~)~2~","Acta Crystallographica Section C","2010","66","2","i9","i11","10.1107/S0108270109054316","","","0.71073","MoKα","","0.0227","0.0214","","","0.0546","0.0555","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017527","8.2533","0.0004","8.2533","0.0004","6.3196","0.0004","90","","90","","120","","372.8","0.03","298","","298","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tripotassium octafluorotantalate","","- F8 K3 Ta -","- F8 K3 Ta -","- F16 K6 Ta2 -","2","0.166667","SQ3230","Smrčok, Ľubomír; Černý, Radovan; Boča, Miroslav; Macková, Iveta; Kubíková, Blanka","K~3~TaF~8~ from laboratory X-ray powder data","Acta Crystallographica Section C","2010","66","2","i16","i18","10.1107/S0108270109055140","powder diffraction","","1.78892","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017528","7.625","0.0005","10.2576","0.0004","10.716","0.0007","95.281","0.004","107.222","0.006","92.001","0.004","795.46","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","glycyl-methionine sulfoxide hydrogen tetrachloroaurate","({(1<i>S</i>,<i>R</i>)-1-carboxy-3-[(<i>R</i>,<i>S</i>)-methylsulfinyl]propyl}aminocarbonyl)methanaminium tetrachloridoaurate(III)","","- C7 H15 Au Cl4 N2 O4 S -","- C7 H15 Au Cl4 N2 O4 S -","- C14 H30 Au2 Cl8 N4 O8 S2 -","2","1","SQ3231","Rychlewska, Urszula; Warzajtis, Beata; Glisic, Biljana D.; Rajkovic, Snezana; Djuran, Miloš","Crystallographic evidence of Gly-<small>D</small>,<small>L</small>-Met oxidation to its sulfoxide in the presence of gold(III): solid solution of the racemic mixture of two diastereoisomers","Acta Crystallographica Section C","2010","66","2","m51","m54","10.1107/S0108270110001666","","","0.71073","MoKα","","0.0168","0.0159","","","0.0411","0.0415","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017529","13.876","0.003","5.7725","0.0008","16.28","0.003","90","","107.799","0.016","90","","1241.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzoylmethyl-3-hydroxyindolin-2-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0771","0.0566","","","0.1358","0.1439","","","","","","1.195","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017530","6.873","0.002","7.67","0.0017","13.394","0.005","99.48","0.02","101.68","0.03","96.33","0.02","674.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-hydroxy-3-[(4-methylbenzoyl)methyl]indolin-2-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0972","0.062","","","0.1404","0.1587","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017531","6.8858","0.0007","7.7074","0.0008","12.701","0.0009","98.229","0.007","103.667","0.007","96.034","0.009","641.43","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-[(4-fluorobenzoyl)methyl]indolin-2-one","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C32 H24 F2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0967","0.0533","","","0.1221","0.1508","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017532","6.987","0.002","7.689","0.004","12.907","0.004","99.3","0.03","101.82","0.04","96.33","0.03","662.4","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-[(4-chlorobenzoyl)methyl]indolin-2-one","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C32 H24 Cl2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0635","0.0431","","","0.1008","0.114","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017533","7.016","0.003","7.7349","0.0012","13.052","0.006","99.69","0.03","101.51","0.04","96.7","0.03","675.8","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-[(4-bromobenzoyl)methyl]-3-hydroxyindolin-2-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0614","0.0399","","","0.0792","0.087","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017534","7.026","0.001","7.598","0.003","13.365","0.004","97.54","0.03","102.67","0.02","96.46","0.02","682.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-hydroxy-3-[(4-nitrobenzoyl)methyl]indolin-2-one","","- C16 H12 N2 O5 -","- C16 H12 N2 O5 -","- C32 H24 N4 O10 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.1238","0.0571","","","0.1247","0.1578","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017535","6.5958","0.0007","7.9577","0.0014","12.045","0.003","78.51","0.02","76.555","0.013","84.559","0.015","601.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-hydroxy-3-(2-thienylcarbonylmethyl)indolin-2-one","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C28 H22 N2 O6 S2 -","2","1","SQ3233","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in 3-alkyl-3-hydroxyindolin-2-ones","Acta Crystallographica Section C","2010","66","2","o79","o86","10.1107/S0108270110001058","","","0.71073","MoKα","","0.0672","0.045","","","0.1014","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017536","12.3461","0.0003","19.7566","0.0005","28.4452","0.0007","90","","92.818","0.002","90","","6929.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate","","- C59 H73 Cl6 Co N3 O14 P2 -","- C59.075 H73.15 Cl6.15 Co N3 O14 P2 -","- C236.3 H292.6 Cl24.6 Co4 N12 O56 P8 -","4","1","TR3058","Becker, Clifford A. L.; Black, Robert S.; Forbes, Roy P.","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate and tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate: modification of a trigonal‒bipyramidal structure with change of metal oxidation state","Acta Crystallographica Section C","2010","66","2","m40","m43","10.1107/S0108270109054626","","","0.71073","MoKα","","","0.0512","","","","0.1459","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017537","21.7568","0.0003","21.7568","0.0003","23.3983","0.0006","90","","90","","120","","9591.9","0.3","173","2","173","2","","","","","","","","7","P 63/m","-P 6c","176","","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate","","- C59 H73 Cl5 Co N3 O10 P2 -","- C59 H74 Cl5 Co N3 O10 P2 -","- C354 H444 Cl30 Co6 N18 O60 P12 -","6","0.5","TR3058","Becker, Clifford A. L.; Black, Robert S.; Forbes, Roy P.","Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate and tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate: modification of a trigonal‒bipyramidal structure with change of metal oxidation state","Acta Crystallographica Section C","2010","66","2","m40","m43","10.1107/S0108270109054626","","","0.71073","MoKα","","","0.0473","","","","0.152","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017538","9.734","0.003","15.993","0.005","10.827","0.004","90","","107.488","0.005","90","","1607.6","0.9","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-4a,8a-dihydroxyperhydronaphthalene-2,3,6,7-tetrayl tetrabenzoate","","- C38 H34 O10 -","- C38 H34 O10 -","- C76 H68 O20 -","2","0.5","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.0719","0.0451","","","0.1046","0.1181","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017539","9.888","0.007","14.747","0.01","10.417","0.007","90","","110.444","0.01","90","","1423.3","1.7","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>*,3<i>R</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a,8a-dihydroxyperhydronaphthalene-2,3-diyl diacetate","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.0547","0.0415","","","0.0976","0.1039","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017540","16.246","0.003","11.167","0.002","11.829","0.002","90","","92.219","0.006","90","","2144.4","0.7","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,3<i>R</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a,8a-dihydroxyperhydronaphthalene-2,3-diyl dibenzoate","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","1","TR3062","Mehta, Goverdhan; Sen, Saikat","Modulating the preferred O—H···O hydrogen-bonding motif in a conformationally constrained environment through hydroxy-group derivatization","Acta Crystallographica Section C","2010","66","2","o59","o63","10.1107/S0108270109054870","","","0.71073","MoKa","","0.1926","0.0473","","","0.0725","0.1119","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017541","12.6621","0.0007","3.75947","0.00018","26.7435","0.0016","90","","114.208","0.002","90","","1161.12","0.11","225","1","225","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyrimidin-1-ium hydrogen chloranilate monohydrate","","- C10 H8 Cl2 N2 O5 -","- C10 H8 Cl2 N2 O5 -","- C40 H32 Cl8 N8 O20 -","4","1","EG3036","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120K","Acta Crystallographica Section C","2010","66","3","o114","o118","10.1107/S010827011000363X","","","0.71075","MoKα","","0.0299","0.027","","","0.0729","0.0751","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017542","25.5952","0.0009","3.71581","0.00013","26.3761","0.0009","90","","114.529","0.0013","90","","2282.16","0.14","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyrimidin-1-ium hydrogen chloranilate monohydrate","","- C10 H8 Cl2 N2 O5 -","- C10 H8 Cl2 N2 O5 -","- C80 H64 Cl16 N16 O40 -","8","2","EG3036","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Two solid phases of pyrimidin-1-ium hydrogen chloranilate monohydrate determined at 225 and 120K","Acta Crystallographica Section C","2010","66","3","o114","o118","10.1107/S010827011000363X","","","0.71075","MoKα","","0.0346","0.029","","","0.0755","0.0779","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017543","9.6282","0.0009","15.2848","0.0014","20.391","0.002","90","","101.376","0.008","90","","2941.9","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (V)","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57)","","- C17 H16 N O0.42 P -","- C17 H16 N O0.4305 P -","- C136 H128 N8 O3.444 P8 -","8","2","EM3032","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole-κ^2^<i>N</i>,<i>P</i>)titanium(IV)","Acta Crystallographica Section C","2010","66","3","m79","m82","10.1107/S0108270110004506","","","0.71073","MoKα","","0.1373","0.0651","","","0.0798","0.095","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017544","8.1481","0.0017","8.6323","0.0016","14.202","0.003","98.159","0.015","98.727","0.016","100.588","0.016","955.6","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","Compound (VI)","tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole- κ^2^<i>N</i>,<i>P</i>)titanium(IV)","","- C17 H16 Cl4 N P Ti -","- C17 H16 Cl4 N P Ti -","- C34 H32 Cl8 N2 P2 Ti2 -","2","1","EM3032","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole-κ^2^<i>N</i>,<i>P</i>)titanium(IV)","Acta Crystallographica Section C","2010","66","3","m79","m82","10.1107/S0108270110004506","","","0.71073","MoKα","","0.1329","0.0566","","","0.0838","0.0984","","","","","","0.889","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017545","12.02","0.02","5.15","0.002","7.198","0.004","90","","122.08","0.1","90","","377.5","0.8","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Thallium Carbonate","Dithallium carbonate","","- C O3 Tl2 -","- C O3 Tl2 -","- C4 O12 Tl8 -","4","0.5","FA3213","Grzechnik, A.; Friese, K.","Crystal structure and stability of Tl~2~CO~3~ at high pressures","Acta Crystallographica Section C","2010","66","3","i37","i38","10.1107/S0108270110005652","","","0.71073","MoKα","","0.1624","0.0909","","","0.085","0.0884","","","","","","2.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017546","9.9418","0.0008","9.3619","0.0005","10.9337","0.0013","90","","90","","90","","1017.64","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>O</i>-ethyl benzoylthiocarbamate","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0986","0.0482","","","0.1048","0.1303","","","","","","1.139","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017547","12.2845","0.0014","9.1431","0.0017","9.7897","0.0004","90","","90.182","0.007","90","","1099.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>O</i>-ethyl (4-methylbenzoyl)thiocarbamate","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.093","0.0486","","","0.111","0.1343","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017548","7.247","0.0016","8.887","0.0007","10.737","0.001","100.691","0.007","99.984","0.013","107.307","0.011","629.19","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>O</i>,<i>S</i>-diethyl (4-methylbenzoyl)imidothiocarbonate","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C26 H34 N2 O4 S2 -","2","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0719","0.0597","","","0.161","0.1671","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017549","7.8028","0.0014","9.48","0.002","9.86","0.002","69.545","0.013","75.683","0.014","69.548","0.015","633.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>O</i>,<i>S</i>-diethyl (4-chlorobenzoyl)imidothiocarbonate","","- C12 H14 Cl N O2 S -","- C12 H14 Cl N O2 S -","- C24 H28 Cl2 N2 O4 S2 -","2","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0753","0.0454","","","0.1014","0.119","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017550","12.3017","0.0001","17.1436","0.0001","15.8633","0.0001","90","","103.301","0.0005","90","","3255.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]","","- C60 H96 N4 O10 Sn4 -","- C60 H96 N4 O10 Sn4 -","- C120 H192 N8 O20 Sn8 -","2","0.5","FG3152","Linden, Anthony; Basu Baul, Tushar S.; Das, Pradip","Tetrakis(μ~2~-4-aminobenzoato)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]","Acta Crystallographica Section C","2010","66","3","m58","m61","10.1107/S0108270110003033","","","0.71073","MoKα","","0.0447","0.0322","","","0.0719","0.0782","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2017551","8.8599","0.0008","15.0248","0.0014","5.8952","0.0004","90","","90","","90","","784.76","0.11","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>p</i>-phenylenedimamine dihydrate","","- C6 H12 N2 O2 -","- C6 H12 N2 O2 -","- C24 H48 N8 O8 -","4","0.5","FG3154","Czapik, Agnieszka; Konowalska, Hanna; Gdaniec, Maria","<i>p</i>-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H···N and N—H···π interactions","Acta Crystallographica Section C","2010","66","3","o128","o132","10.1107/S010827011000541X","","","0.71073","MoKα","","0.0442","0.0317","","","0.0791","0.0859","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017552","8.302","0.0002","5.897","0.0001","22.76","0.0005","90","","93.579","0.002","90","","1112.09","0.04","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>p</i>-phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","FG3154","Czapik, Agnieszka; Konowalska, Hanna; Gdaniec, Maria","<i>p</i>-Phenylenediamine and its dihydrate: two-dimensional isomorphism and mechanism of the dehydration process, and N—H···N and N—H···π interactions","Acta Crystallographica Section C","2010","66","3","o128","o132","10.1107/S010827011000541X","","","0.71073","MoKα","","0.0416","0.0309","","","0.0795","0.0817","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017553","8.7666","0.0012","9.5089","0.0013","9.7804","0.0013","99.152","0.004","101.983","0.004","113.91","0.004","701.61","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","hexakis(ethylene glycol)disodium bis(ethyleneglycolato)-copper(II)","bis(μ-ethylene glycol)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(ethylene glycol-κ^2^<i>O</i>,<i>O</i>')(ethylene glycol-κ<i>O</i>)sodium] bis(ethylene glycolato-κ<i>O</i>,<i>O</i>')copper(II)","","- C16 H44 Cu Na2 O16 -","- C16 H43.822 Cu Na2 O16 -","- C16 H43.822 Cu Na2 O16 -","1","0.5","FG3156","Rivers, Joseph H.; Carroll, Kyler J.; Jones, Richard A.; Carpenter, Everett E.","A copper‒polyol complex: [Na~2~(C~2~H~6~O~2~)~6~][Cu(C~2~H~4~O~2~)~2~]","Acta Crystallographica Section C","2010","66","3","m83","m85","10.1107/S0108270110006311","","","0.71069","MoKα","","0.0393","0.0342","","","0.0773","0.0797","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017554","11.7","0.001","15.59","0.001","5.03","0.001","90","","98","0.01","90","","908.6","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Iron aluminium tris(dihydrogenphosphate)","","- Al0.19 Fe0.81 H6 O12 P3 -","- Al0.193 Fe0.807 H6 O12 P3 -","- Al0.772 Fe3.228 H24 O48 P12 -","4","1","FN3041","Belfguira, Nadia; Walha, Siwar; Ben Salah, Abdelhamid; Fransolet, André Mathieu; Kabadou, Ahlem","The solid solution (Fe~0.81~Al~0.19~)(H~2~PO~4~)~3~ with a strong hydrogen bond","Acta Crystallographica Section C","2010","66","3","i33","i36","10.1107/S0108270110001344","","","0.71073","MoKα","","0.0318","0.0287","","","0.0722","0.074","","","","","","1.042","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2017555","9.0522","0.0013","9.0522","0.0013","26.964","0.005","90","","90","","120","","1913.5","0.5","295","2","295","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","dilanthanum(III) lead(II) bis[tetrasulfidosilicate(IV)]","","- La2 Pb S8 Si2 -","- La2.088 Pb0.912 S8 Si2 -","- La12.528 Pb5.472 S48 Si12 -","6","0.166667","FN3045","Gulay, L. D.; Daszkiewicz, M.; Ruda, I. P.; Marchuk, O. V.","La~2~Pb(SiS~4~)~2~","Acta Crystallographica Section C","2010","66","3","i19","i21","10.1107/S0108270110000247","","","0.71073","MoKα","","0.0161","0.0152","","","0.0432","0.0434","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017556","17.1373","0.0003","16.4776","0.0003","16.6127","0.0003","90","","119.08","0.001","90","","4099.77","0.13","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pyrimethaminium 4-methylbenzoate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 4-methylbenzoate","","- C20 H21 Cl N4 O2 -","- C20 H21 Cl N4 O2 -","- C160 H168 Cl8 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0678","0.0469","","","0.1264","0.1443","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017557","11.2563","0.0003","14.3968","0.0004","11.7902","0.0003","90","","103.625","0.001","90","","1856.89","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pyrimethaminium 3-hydroxypicolinate","2,4-diamino-(<i>p</i>-chlorophenyl)-6-ethylpyrimidinium 3-hydroxypicolinate'","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C72 H72 Cl4 N20 O12 -","4","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0751","0.0513","","","0.1379","0.1531","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017558","14.3808","0.0002","12.6799","0.0002","22.4021","0.0003","90","","90","","90","","4084.96","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pyrimethaminium 2,4-dichlorobenzoate","2,4-diamino-(4-chlorophenyl)-6-ethylpyrimidinium 2,4-dichlorobenzoate","","- C19 H17 Cl3 N4 O2 -","- C19 H17 Cl3 N4 O2 -","- C152 H136 Cl24 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0714","0.0424","","","0.1004","0.1181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017559","11.3143","0.0006","4.7466","0.0002","17.5024","0.0009","90","","108.54","0.003","90","","891.17","0.08","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C24 H36 Cl4 N4 O16 P4 -","4","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0318","0.0295","","","0.0811","0.0838","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017560","9.7371","0.0019","7.8756","0.0016","25.141","0.005","90","","90","","90","","1928","0.7","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0451","0.0395","","","0.1206","0.1272","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017561","27.2712","0.0006","7.3272","0.0002","15.4592","0.0003","90","","100.389","0.002","90","","3038.44","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[bis(η^5^-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV)","","- C16 H13 Cl2 P Zr -","- C16 H13 Cl2 P Zr -","- C128 H104 Cl16 P8 Zr8 -","8","1","GD3332","Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias","The <i>ansa</i>-zirconocene [bis(η^5^-cyclopentadienyl)phenylphosphine]dichloridozirconium(IV)","Acta Crystallographica Section C","2010","66","3","m86","m88","10.1107/S0108270110004531","","","0.71073","MoKα","","0.0385","0.0247","","","0.051","0.0527","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017562","6.675","0.002","23.025","0.005","7.5","0.002","90","","110.946","0.011","90","","1076.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dipyridinium dioxidobis(oxydiacetato)uranate(VI)","","- C18 H20 N2 O12 U -","- C18 H20 N2 O12 U -","- C36 H40 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0176","0.0156","","","0.0371","0.0377","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017563","9.183","0.002","11.104","0.003","12.826","0.004","90","","111.49","0.007","90","","1216.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-methyl-pyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0352","0.0219","","","0.0528","0.0594","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017564","7.415","0.002","13.312","0.005","11.806","0.004","90","","91.224","0.015","90","","1165.1","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0581","0.0497","","","0.1235","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017565","7.3439","0.0013","12.999","0.002","12.194","0.002","90","","92.438","0.009","90","","1163","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","","- C20 H24 N2 O12 U -","- C20 H24 N2 O12 U -","- C40 H48 N4 O24 U2 -","2","0.5","GG3221","Lennartson, Anders; Håkansson, Mikael","Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)","Acta Crystallographica Section C","2010","66","3","m69","m74","10.1107/S0108270109053839","","","0.71073","MoKα","","0.0413","0.0332","","","0.0804","0.0856","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017566","10.377","0.002","23.166","0.005","10.37","0.002","90","","93.22","0.03","90","","2488.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trichlorido[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) dimethyl sulfoxide solvate","","- C24 H23 Cl3 Ir N3 O S -","- C24 H23 Cl3 Ir N3 O S -","- C96 H92 Cl12 Ir4 N12 O4 S4 -","4","1","GZ3173","Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R.","Mono- and bis-tolylterpyridine iridium(III) complexes","Acta Crystallographica Section C","2010","66","3","m62","m64","10.1107/S0108270110002751","","","0.41328","Synchrotron","","0.0477","0.0366","","","0.0902","0.1006","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017567","14.6977","0.0014","16.3737","0.0016","21.42","0.002","90","","105.639","0.002","90","","4964","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) tris(hexafluorophosphate) acetonitrile disolvate","","- C48 H40 F18 Ir N8 P3 -","- C48 H40 F18 Ir N8 P3 -","- C192 H160 F72 Ir4 N32 P12 -","4","0.5","GZ3173","Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R.","Mono- and bis-tolylterpyridine iridium(III) complexes","Acta Crystallographica Section C","2010","66","3","m62","m64","10.1107/S0108270110002751","","","0.71073","MoKα","","0.0782","0.0508","","","0.1289","0.1455","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017568","5.35502","0.00011","7.96182","0.00014","20.1151","0.0005","90","","92.061","0.002","90","","857.07","0.03","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","2,3,4,6-tetraacetyl-1-fluoro-α-D-glucopyranose","2,3,4,6-tetra-<i>O</i>-acetyl-1-fluoro-α-D-glucopyranose","","- C14 H19 F O9 -","- C14 H19 F O9 -","- C28 H38 F2 O18 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-<small>D</small>-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.0428","0.0325","","","0.0701","0.0731","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017569","5.63832","0.00009","18.2908","0.0003","14.8144","0.0002","90","","94.4966","0.0015","90","","1523.1","0.04","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 2","2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranosyl-(1→4)-\ 2,3,6-tri-<i>O</i>-acetyl-1-fluoro-α-D-glucopyranose","","- C26 H35 F O17 -","- C26 H35 F O17 -","- C52 H70 F2 O34 -","2","1","JZ3170","Dedola, Simone; Hughes, David L.; Field, Robert A.","Peracetylated α-<small>D</small>-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride","Acta Crystallographica Section C","2010","66","3","o124","o127","10.1107/S0108270110003641","","","0.71073","MoKα","","0.063","0.0483","","","0.1117","0.1172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017570","11.617","0.003","17.2235","0.0016","9.062","0.001","90","","111.327","0.01","90","","1689","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C16 H22 N4 O4 -","- C16 H22 N4 O4 -","- C64 H88 N16 O16 -","4","1","KU3017","Tvedte, Laura M.; Smith, Kenneth L.; Patterson, Eric V.; Baughman, Russell G.","2-Amino-5-(3,4-dimethoxybenzylidene)-1-methylimidazol-4(5<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2010","66","3","o101","o103","10.1107/S0108270110000181","","","0.71073","MoKα","","0.1884","0.0572","","","0.1042","0.1439","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017571","12.896","0.003","5.212","0.001","17.549","0.004","90","","104.08","0.03","90","","1144.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","barium gadolinium silicate","dibarium digadolinium(III) tetrasilicate","","- Ba2 Gd2 O13 Si4 -","- Ba2 Gd2 O13 Si4 -","- Ba8 Gd8 O52 Si16 -","4","0.5","LG3027","Wierzbicka-Wieczorek, Maria; Kolitsch, Uwe; Tillmanns, Ekkehart","Ba~2~Gd~2~(Si~4~O~13~): a silicate with finite Si~4~O~13~ chains","Acta Crystallographica Section C","2010","66","3","i29","i32","10.1107/S0108270110002842","","","0.71073","MoKα","","0.0474","0.0264","","","0.0417","0.0459","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017572","9.602","0.005","9.259","0.005","13.89","0.006","90","","90","","90","","1234.9","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium bis(tetrafluoroborate)","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","LN3136","Goreshnik, Evgeny; Vakulka, Andrii; Žemva, Boris","Strontium tetrafluoroborate. Erratum","Acta Crystallographica Section C","2010","66","3","e9","","10.1107/S0108270109054286","","","0.71069","MoKα","","","0.0593","","","","0.1106","","","","","","1.337","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017573","17.685","0.009","10.69","0.005","12.748","0.007","90","","94.457","0.012","90","","2403","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammine(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I) nitrate","","- C10 H11 Ag N4 O3 -","- C10 H11 Ag N4 O3 -","- C80 H88 Ag8 N32 O24 -","8","1","MX3026","Sun, Di; Zhang, Na; Luo, Geng-Geng; Huang, Rong-Bin; Zheng, Lan-Sun","Ammine(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I) nitrate: a dimer formed by π‒π stacking and ligand-unsupported Ag···Ag interactions","Acta Crystallographica Section C","2010","66","3","m75","m78","10.1107/S010827011000377X","","","0.71073","MoKα","","0.047","0.0438","","","0.1093","0.1116","","","","","","1.211","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017574","14.075","0.004","16.577","0.005","14.041","0.004","90","","112.34","0.03","90","","3030.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc^0^‒Gly^1^‒Δ^Z^Phe^2^‒Gly^3^‒Δ^Z^Phe^4^‒Gly^5^‒OH","(<i>Z</i>,<i>Z</i>)-<i>N</i>-(<i>tert</i>- butoxycarbonyl)glycylphenylalanylglycylphenylalanylglycine methanol solvate","","- C30 H37 N5 O9 -","- C30 H37 N5 O9 -","- C120 H148 N20 O36 -","4","1","SK3358","Makowski, Maciej; Lisowski, Marek; Maciag, Anna; Wiktor, Maciej; Szlachcic, Anna; Lis, Tadeusz","Two pentadehydropeptides with different configurations of the ΔPhe residues","Acta Crystallographica Section C","2010","66","3","o119","o123","10.1107/S0108270110003094","","","1.5418","CuKα","","0.0915","0.0695","","","","0.2045","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017575","13.52","0.006","22.922","0.0011","9.795","0.005","90","","97.41","0.05","90","","3010","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc^0^‒Gly^1^‒Δ^E^Phe^2^‒Gly^3^‒Δ^E^Phe^4^‒Gly^5^‒OH","(<i>E</i>,<i>E</i>)-<i>N</i>-(<i>tert</i>- butoxycarbonyl)glycylphenylalanylglycylphenylalanylglycine","","- C29 H33 N5 O8 -","- C29 H33 N5 O8 -","- C116 H132 N20 O32 -","4","1","SK3358","Makowski, Maciej; Lisowski, Marek; Maciag, Anna; Wiktor, Maciej; Szlachcic, Anna; Lis, Tadeusz","Two pentadehydropeptides with different configurations of the ΔPhe residues","Acta Crystallographica Section C","2010","66","3","o119","o123","10.1107/S0108270110003094","","","1.5418","CuKα","","0.0823","0.0531","","","0.1309","0.1399","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017576","7.662","0.0015","10.488","0.002","11.606","0.002","98.24","0.03","91.07","0.03","98.49","0.03","912.1","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol][triaquadisodium(I)][μ-(1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol]] tetrahydrate]","","- C12 H24 N4 Na O11.5 -","- C12 H23 N4 Na O11.5 -","- C24 H46 N8 Na2 O23 -","2","2","SK3359","Gainsford, Graeme J.; Furneaux, Richard H.; Tyler, Peter C.; Sauve, Anthony; Shramm, Vern L.","A synchrotron radiation study of the one-dimensional complex of sodium with (1<i>S</i>)-<i>N</i>-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-<small>D</small>-ribitol, a member of the 'immucillin' family","Acta Crystallographica Section C","2010","66","3","m65","m68","10.1107/S0108270110002738","","","0.98","synchrotron","","0.0356","0.0353","","","0.0914","0.0919","","","","","","1.072","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2017577","9.6342","0.0013","33.216","0.005","9.747","0.003","90","","90.237","0.018","90","","3119.1","1.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Amino-5-methyl-2-phenyl-6-(phenyldiazenyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C19 H16 N6 -","- C19 H16 N6 -","- C152 H128 N48 -","8","2","SK3361","Portilla, Jaime; Estupiñan, Diego; Cobo, Justo; Glidewell, Christopher","7-Amino-5-methyl-2-phenyl-6-(phenyldiazenyl)pyrazolo[1,5-<i>a</i>]pyrimidine crystallizes with <i>Z</i>' = 2: pseudosymmetry and the formation of complex sheets built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","3","o133","o136","10.1107/S0108270110003549","","","0.71073","MoKα","","0.1359","0.0594","","","0.1287","0.1687","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017578","10.013","0.002","12.3487","0.0012","17.666","0.004","90","","90","","90","","2184.4","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine","","- C26 H19 Cl2 N5 -","- C26 H19 Cl2 N5 -","- C104 H76 Cl8 N20 -","4","1","SK3364","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine: a three-dimensional framework structure built from only two hydrogen bonds","Acta Crystallographica Section C","2010","66","3","o137","o140","10.1107/S0108270110004026","","","0.71073","MoKα","","0.1067","0.0566","","","0.1052","0.1266","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017579","4.5992","0.0004","9.0514","0.0008","13.8635","0.0011","90","","90","","90","","577.13","0.08","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","trilanthanum undeca(zinc/magnesium)","","- La6 Mg2.77 Zn19.23 -","- La6 Mg2.766 Zn19.234 -","- La6 Mg2.766 Zn19.234 -","1","0.0625","SQ3225","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","The new ternary phases of La~3~(Zn~0.874~Mg~0.126~)~11~ and Ce~3~(Zn~0.863~Mg~0.137~)~11~","Acta Crystallographica Section C","2010","66","3","i25","i28","10.1107/S0108270110002556","","","0.71073","MoKα","","0.0271","0.023","","","0.0501","0.0507","","","","","","1.109","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2017580","4.5641","0.0006","8.9542","0.0014","13.7261","0.0018","90","","90","","90","","560.96","0.14","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","tricerium undeca(zinc/magnesium)","","- Ce6 Mg3.02 Zn18.98 -","- Ce6 Mg2.692 Zn19.308 -","- Ce6 Mg2.692 Zn19.308 -","1","0.0625","SQ3225","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","The new ternary phases of La~3~(Zn~0.874~Mg~0.126~)~11~ and Ce~3~(Zn~0.863~Mg~0.137~)~11~","Acta Crystallographica Section C","2010","66","3","i25","i28","10.1107/S0108270110002556","","","0.71073","MoKα","","0.028","0.0222","","","0.0485","0.0506","","","","","","1.004","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2017581","13.5073","0.0008","8.8803","0.0005","35.482","0.002","90","","90","","90","","4256","0.4","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate)","","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba20 Cl16 H64 O192 P32 V32 -","4","","SQ3227","Zhang, Ai-Yun; Zheng, Juan; Wang, Qiu-Fen","Ba~5~Cl~4~(H~2~O)~8~(VPO~5~)~8~: a novel three-dimensional framework solid","Acta Crystallographica Section C","2010","66","3","i22","i24","10.1107/S0108270110001393","","","0.71073","MoKα","","0.0425","0.0308","","","0.0723","0.0781","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017582","9.0059","0.0004","17.2762","0.0007","11.0719","0.0004","90","","91.61","0.002","90","","1721.97","0.12","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","chlorido(cyclohexyldiphenylphosphine)gold(I)","","- C18 H21 Au Cl P -","- C18 H21 Au Cl P -","- C72 H84 Au4 Cl4 P4 -","4","1","SQ3235","Guzei, Ilia A.; Arachchige, Indika; Ivanov, Sergei A.","Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)","Acta Crystallographica Section C","2010","66","3","m55","m57","10.1107/S0108270110001861","","","0.71073","MoKα","","0.0201","0.017","","","0.0358","0.0366","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017583","13.144","0.0009","11.49","0.0008","13.1056","0.0009","90","","119.786","0.002","90","","1717.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chlorido(cyclohexyldiphenylphosphine)gold(I)","","- C18 H21 Au Cl P -","- C18 H21 Au Cl P -","- C72 H84 Au4 Cl4 P4 -","4","1","SQ3235","Guzei, Ilia A.; Arachchige, Indika; Ivanov, Sergei A.","Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I)","Acta Crystallographica Section C","2010","66","3","m55","m57","10.1107/S0108270110001861","","","0.71073","MoKα","","0.0316","0.0314","","","0.0881","0.0882","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017584","5.1723","0.0002","10.356","0.0004","12.1866","0.0005","97.765","0.002","97.304","0.002","102.394","0.002","623.43","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-(ethylammonium)oxamide hydrogen bis(oxamate)","2-(oxamoylamino)ethylammonium oxamate‒oxamic acid (1/1)","","- C8 H15 N5 O8 -","- C8 H15 N5 O8 -","- C16 H30 N10 O16 -","2","1","TR3064","Martinez Belmonte, Marta; Price, Daniel J.","Strong asymmetric hydrogen bonding in 2-(oxamoylamino)ethylammonium oxamate‒oxamic acid (1/1)","Acta Crystallographica Section C","2010","66","3","o147","o150","10.1107/S0108270110004233","","","0.71073","MoKα","","0.0579","0.0399","","","0.0972","0.1057","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017585","9.807","0.0013","7.3982","0.0007","13.738","0.002","90","","105.441","0.011","90","","960.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-2-<i>exo</i>-vinyl-2,3,4,5-tetrahydro-1<i>H</i>- 1,4-epoxy-1-benzazepine","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0814","0.0446","","","0.092","0.107","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017586","11.0631","0.0007","5.7212","0.0005","21.203","0.006","90","","102.587","0.016","90","","1309.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>exo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C60 H72 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.1011","0.0677","","","0.1383","0.1548","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017587","8.6828","0.0011","10.1456","0.0006","14.2976","0.0016","90","","107.587","0.009","90","","1200.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>SR</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>exo</i>-(prop-1-en-2-yl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0683","0.0433","","","0.084","0.0925","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017588","10.4753","0.0013","5.4759","0.0008","10.9632","0.0012","90","","105.791","0.013","90","","605.13","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7,9-dichloro-2-<i>exo</i>-(prop-1-en-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C13 H13 Cl2 N O -","- C13 H13 Cl2 N O -","- C26 H26 Cl4 N2 O2 -","2","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0557","0.0445","","","0.1069","0.1146","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017589","9.716","0.003","7.229","0.003","17.406","0.006","90","","90","","90","","1222.5","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","SQ3234","Yu, Li-Li; Cheng, Mei-Ling; Liu, Qi; Zhang, Zhi-Hui; Chen, Qun","Three-dimensional supramolecular architecture in imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","Acta Crystallographica Section C","2010","66","4","o179","o181","10.1107/S0108270110004221","","","0.71073","MoKα","","0.0296","0.0265","","","0.0711","0.0735","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017590","8.3989","0.0005","8.535","0.0003","11.4883","0.0005","89.325","0.004","69.014","0.005","67.269","0.004","701.48","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaqua(μ~7~-pyridine-2,3,5,6-tetracarboxylato)dicadmium(II)] monohydrate]","","- C9 H11 Cd2 N O13 -","- C9 H11 Cd2 N O13 -","- C18 H22 Cd4 N2 O26 -","2","1","SQ3239","Yan, Sitang; Shi, Lianxu; Wu, Chuande","Poly[[tetraaqua(μ~7~-pyridine-2,3,5,6-tetracarboxylato)dicadmium(II)] monohydrate]","Acta Crystallographica Section C","2010","66","4","m110","m113","10.1107/S0108270110008085","","","0.71073","MoKα","","0.0307","0.0229","","","0.0432","0.0441","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017591","10.8627","0.0009","11.1883","0.0009","11.3773","0.0011","69.362","0.001","79.777","0.002","74.451","0.001","1241.35","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[bis[diaquacadmium(II)]-μ~2~-<i>trans</i>-1,2- bis(4-pyridyl)ethene]bis{μ~2~-2,2'-[(5-carboxymethoxy-<i>m</i>- phenylene)dioxy]diacetato}] <i>trans</i>-1,2-bis(4-pyridyl)ethene solvate dihydrate]","","- C48 H52 Cd2 N4 O24 -","- C48 H52 Cd2 N4 O24 -","- C48 H52 Cd2 N4 O24 -","1","0.5","BM3089","Wang, Suna; Li, Dacheng; Dou, Jianmin; Wang, Daqi","An unusual polycatenating network self-assembled by the 2D →2D parallel →3D parallel interpenetration of coordinative and hydrogen-bonded (6,3) motifs","Acta Crystallographica Section C","2010","66","4","m118","m121","10.1107/S0108270110009984","","","0.71073","MoKα","","0.037","0.0318","","","0.0753","0.0778","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017592","9.069","0.0018","11.309","0.002","12.594","0.003","115.58","0.03","98.86","0.03","99.76","0.03","1110","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Sodium zoledronate","<i>catena</i>-Poly[[tetraaquabis[hemihydrogen μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']bis[μ~3~-1-hydroxy-2-(imidazol-3-ium- 1-yl)ethylidene-1,1-diphosphonato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'']trisodium] dihydrate]","","- C20 H49 N8 Na3 O34 P8 -","- C20 H49 N8 Na3 O34 P8 -","- C20 H49 N8 Na3 O34 P8 -","1","0.5","DN3137","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. II. <i>catena</i>-Poly[[tetraaquabis[hemihydrogen μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']bis[μ~3~-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'']trisodium] dihydrate]","Acta Crystallographica Section C","2010","66","4","m122","m126","10.1107/S010827011001022X","","","0.71073","MoKα","","0.0665","0.0561","","","0.1626","0.1698","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017593","6.8262","0.0009","10.1914","0.0013","18.834","0.002","98.825","0.002","90.804","0.002","98","0.002","1281.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Benzene-1,4-diboronic acid‒4,4'-bipyridine‒water (1/2/2)","","- C26 H28 B2 N4 O6 -","- C26 H28 B2 N4 O6 -","- C52 H56 B4 N8 O12 -","2","1","DN3139","Vega, Araceli; Zarate, Maria; Tlahuext, Hugo; Höpfl, Herbert","Benzene-1,4-diboronic acid‒4,4'-bipyridine‒water (1/2/2)","Acta Crystallographica Section C","2010","66","4","o219","o221","10.1107/S0108270110009121","","","0.71073","MoKα","","0.0617","0.0477","","","0.1209","0.129","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017594","7.5165","0.0001","11.6572","0.0003","17.6917","0.0005","90","","92.701","0.002","90","","1548.45","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridine","","- C19 H16 Br N3 -","- C19 H16 Br N3 -","- C76 H64 Br4 N12 -","4","1","EG3040","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded dimer in 6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine and a chain of rings built from N—H···N and C—H···π(pyridine) hydrogen bonds in 3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2010","66","4","o163","o167","10.1107/S0108270110006451","","","0.71073","MoKα","","0.0385","0.0292","","","0.0658","0.0694","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017595","7.0408","0.0001","9.636","0.0003","11.1961","0.0003","84.906","0.001","89.177","0.002","81.012","0.002","747.31","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C36 H24 N8 O4 -","2","1","EG3040","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded dimer in 6-(4-bromophenyl)-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine and a chain of rings built from N—H···N and C—H···π(pyridine) hydrogen bonds in 3-(4-nitrophenyl)-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section C","2010","66","4","o163","o167","10.1107/S0108270110006451","","","0.71073","MoKα","","0.0494","0.0384","","","0.0944","0.1012","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017596","14.71917","0.00018","14.71917","0.00018","18.9694","0.0003","90","","90","","120","","3559.19","0.08","85","0.1","85","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Tris(diethylammonium) hexachloridoantimonate(III)","","- C12 H36 Cl6 N3 Sb -","- C12 H36 Cl6 N3 Sb -","- C72 H216 Cl36 N18 Sb6 -","6","0.333333","EM3030","Bujak, Maciej","Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III)","Acta Crystallographica Section C","2010","66","4","m101","m103","10.1107/S0108270110006074","","","0.71073","MoKα","","0.0095","0.0082","","","0.018","0.0296","","","","","","1.478","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017597","13.806","0.003","5.066","0.001","11.705","0.002","90","","102.87","0.03","90","","798.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-chloropyridin-2-amine‒(2<i>E</i>)-but-2-enedioate (2/1)","","- C14 H14 Cl2 N4 O4 -","- C14 H14 Cl2 N4 O4 -","- C28 H28 Cl4 N8 O8 -","2","0.5","FA3217","Perpétuo, Genivaldo Julio; Janczak, Jan","Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate","Acta Crystallographica Section C","2010","66","4","o225","o228","10.1107/S010827011000987X","","","0.71073","MoKα","","0.051","0.0414","","","0.1061","0.1166","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017598","7.619","0.0015","7.473","0.0015","19.042","0.004","90","","99.85","0.03","90","","1068.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminopyridinium DL-malate","2-aminopyridinium DL-3-carboxy-2-hydroxypropanoate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","FA3217","Perpétuo, Genivaldo Julio; Janczak, Jan","Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate","Acta Crystallographica Section C","2010","66","4","o225","o228","10.1107/S010827011000987X","","","0.71073","MoKα","","0.1238","0.0593","","","0.0726","0.0836","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017599","10.7475","0.0007","10.7842","0.0012","20.5812","0.0019","90","","91.688","0.007","90","","2384.4","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0848","0.0464","","","0.1022","0.1226","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017600","8.2405","0.0014","11.5432","0.0016","27.442","0.002","90","","101.03","0.013","90","","2562.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-exo-(4-chlorophenyl)-2,3,4,5-tetrahydro-1<i>H</i>- 1,4-epoxy-1-benzazepine","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C128 H112 Cl8 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.1036","0.0501","","","0.0903","0.1077","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017601","10.9966","0.0017","23.691","0.01","10.6323","0.0008","90","","111.661","0.008","90","","2574.3","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-exo-(3-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4- epoxy-1-benzazepine","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.094","0.0565","","","0.1013","0.1144","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017602","5.5214","0.0003","10.2982","0.0012","22.9","0.003","90","","90","","90","","1302.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-bromo-2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4- epoxy-1-benzazepine","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0458","0.0324","","","0.0598","0.0639","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017603","15.3626","0.0016","11.5436","0.0013","7.8832","0.0013","90","","96.08","0.011","90","","1390.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-exo-(4-bromophenyl)-7-chloro-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H13 Br Cl N O -","- C16 H13 Br Cl N O -","- C64 H52 Br4 Cl4 N4 O4 -","4","1","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0738","0.0411","","","0.0835","0.0948","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017604","17.753","0.01","17.753","0.01","12.756","0.007","90","","90","","120","","3482","3","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H14 F4 N4 O2 -","- C14 H14 F4 N4 O2 -","- C126 H126 F36 N36 O18 -","9","0.5","FG3149","Xu, Huan; Mi, Jin-Ling; Hu, Zhao-Jian; Guo, Xiu-Kai; Chen, Qun","An ice-like water hexamer with øverline{3} symmetry in the hydrogen-bonded structure of 2,3,5,6-tetrafluoro-1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","Acta Crystallographica Section C","2010","66","4","o151","o153","10.1107/S0108270110007572","","","0.71073","MoKα","","0.0465","0.0415","","","0.1293","0.1344","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017605","9.4334","0.0002","10.028","0.0003","10.4651","0.0003","112.954","0.001","92.429","0.001","102.055","0.001","883.02","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-hydroxyethyl)amino]cyclohexanol","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","2","FG3157","de Sousa, Alvaro S.; Hlam, Zanele; Fernandes, Manuel A.; Marques, Helder M.","Hydrogen-bonding controls the solid-state and enantiomeric comformations of the amino alcohol ligand 2-[(2-hydroxyethyl)amino]cyclohexanol","Acta Crystallographica Section C","2010","66","4","o229","o232","10.1107/S0108270110009820","","","0.71073","MoKα","","0.0462","0.0369","","","0.0965","0.103","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017606","7.533","0.0017","7.835","0.0015","20.098","0.004","90","","90","","90","","1186.2","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","benzene-1,2-diamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","FG3158","Czapik, Agnieszka; Gdaniec, Maria","A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs","Acta Crystallographica Section C","2010","66","4","o198","o201","10.1107/S0108270110008474","","","0.71073","MoKα","","0.0588","0.0355","","","0.0827","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017607","11.1304","0.0017","15.25","0.002","18.098","0.003","99.305","0.004","90.01","0.003","100.168","0.003","2982.6","0.8","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate","","- C26 H45 N3 O8 -","- C26 H45 N3 O8 -","- C104 H180 N12 O32 -","4","2","FN3037","Sengar, Raghvendra Singh; Geib, Steven J.; Nigam, Archana; Wiener, Erik C.","Tri-<i>tert</i>-butyl 3-oxo-4-oxa-1,8,11-triazaspiro[5.6]dodecane-1,8,11-triacetate","Acta Crystallographica Section C","2010","66","4","o174","o175","10.1107/S0108270109049361","","","0.71073","MoKα","","0.092","0.0606","","","0.1539","0.1701","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017608","9.3001","0.0004","11.2399","0.0005","15.101","0.0006","90","","90","","90","","1578.54","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tricaesium calcium iron bis(diphosphate)","","- Ca Cs3 Fe O14 P4 -","- Ca Cs3 Fe O14 P4 -","- Ca4 Cs12 Fe4 O56 P16 -","4","1","FN3046","Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Babaryk, Artem A.; Slobodyanik, Nikolay S.","The triple pyrophosphate Cs~3~CaFe(P~2~O~7~)~2~","Acta Crystallographica Section C","2010","66","4","i39","i41","10.1107/S0108270110007195","","","0.71073","MoKα","","0.0489","0.0357","","","0.061","0.0685","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017609","7.3752","0.0006","6.3516","0.0004","13.8654","0.0011","90","","103.648","0.004","90","","631.18","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-amino-8-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)imidazo[1,2-<i>a</i>]- 1,3,5-triazin-4(8<i>H</i>)-one monohydrate","","- C10 H14 F N5 O5 -","- C10 H14 F N5 O5 -","- C20 H28 F2 N10 O10 -","2","1","GD3329","Jiang, Dawei; Budow, Simone; Glaçon, Virginie; Eickmeier, Henning; Reuter, Hans; He, Yang; Seela, Frank","2-Amino-8-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)imidazo[1,2-<i>a</i>][1,3,5]triazin-4(8<i>H</i>)-one monohydrate, a 2'-deoxyguanosine analogue with an altered Watson‒Crick recognition site","Acta Crystallographica Section C","2010","66","4","o194","o197","10.1107/S0108270110008036","","","0.71073","MoKα","","0.0352","0.0308","","","0.0763","0.0789","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017610","14.7443","0.0006","5.7669","0.0002","12.0082","0.0003","90","","106.119","0.002","90","","980.9","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Amino-1-benzoyl-3-methylpyrazole","(5-amino-3-methylpyrazol-1-yl)(phenyl)methanone","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","GG3230","Quiroga, Jairo; Portilla, Jaime; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","5-Amino-1-benzoyl-3-methylpyrazole: complex sheets built from N—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o159","o162","10.1107/S0108270110006980","","","0.71073","MoKα","","0.0633","0.0537","","","0.11","0.1129","","","","","","1.197","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017611","10.052","0.004","5.299","0.004","12.976","0.008","90","","91.1","0.04","90","","691","0.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-7-fluoro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-\ tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H16 F N O -","- C18 H16 F N O -","- C36 H32 F2 N2 O2 -","2","1","GG3231","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in (2<i>S</i>*,4<i>R</i>*)-7-fluoro-2-<i>exo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","Acta Crystallographica Section C","2010","66","4","o206","o208","10.1107/S010827011000884X","","","0.71073","MoKα","","0.0775","0.0493","","","0.0948","0.1067","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017612","4.793","0.003","11.365","0.007","36.79","0.02","90","","90","","90","","2004","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(β-D-Erythrofuranosyl)adenosine","","- C9 H11 N5 O3 -","- C9 H11 N5 O3 -","- C72 H88 N40 O24 -","8","2","GT3016","Kline, Paul C.; Zhao, Hongqiu; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","1-(β-<small>D</small>-Erythrofuranosyl)adenosine","Acta Crystallographica Section C","2010","66","4","o215","o218","10.1107/S0108270110008024","","","0.7749","synchrotron","","0.0546","0.0472","","","0.1206","0.1258","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017613","6.9634","0.0011","9.3732","0.0014","10.9416","0.0017","90","","90","","90","","714.15","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-pyrazol-1-ylethylammonium chloride","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C20 H40 Cl4 N12 -","4","1","KU3022","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride","Acta Crystallographica Section C","2010","66","4","m89","m96","10.1107/S010827011000572X","","","0.71073","Mo-Kα","","0.023","0.0224","","","0.0592","0.0598","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017614","6.258","0.002","6.653","0.003","8.369","0.003","83.57","0.03","86.37","0.05","86.19","0.02","344.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaqua-dichlorido-bis(hydroxyethylammonium)cobalt(II) dichloride","","- C4 H20 Cl4 Co N2 O4 -","- C4 H20 Cl4 Co N2 O4 -","- C4 H20 Cl4 Co N2 O4 -","1","0.5","KU3022","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride","Acta Crystallographica Section C","2010","66","4","m89","m96","10.1107/S010827011000572X","","","0.71073","Mo-Kα","","0.0182","0.0182","","","0.0468","0.0468","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017615","9.2077","0.0018","4.9369","0.001","15.074","0.003","90","","92.15","0.03","90","","684.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium copper(II) phosphate(V) (2.88/3.12/4)","strontium copper(II) phosphate(V) (2.88/3.12/4)","","- Cu3.12 O16 P4 Sr2.88 -","- Cu3.12 O16 P4 Sr2.88 -","- Cu6.24 O32 P8 Sr5.76 -","2","0.5","LG3029","Karanović, Ljiljana; Šutović, Sabina; Poleti, Dejan; Dordević, Tamara; Pačevski, Aleksandar","Substitutional and positional disorder in Sr~2.88~Cu~3.12~(PO~4~)~4~","Acta Crystallographica Section C","2010","66","4","i42","i44","10.1107/S0108270110007146","","","0.71073","MoKα","","0.0461","0.038","","","0.0798","0.0826","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017616","11.3363","0.0002","9.3622","0.0001","14.4053","0.0002","90","","104.846","0.0006","90","","1477.84","0.04","135","1","135","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","","- C15 H12 Mn N2 O7 -","- C15 H12 Mn N2 O7 -","- C60 H48 Mn4 N8 O28 -","4","1","LN3137","Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K","Acta Crystallographica Section C","2010","66","4","m97","m100","10.1107/S0108270110006979","","","0.71073","MoKα","","0.0267","0.0242","","","0.0622","0.0637","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017617","11.3911","0.0002","9.4023","0.0001","14.4361","0.0002","90","","104.74","0.001","90","","1495.26","0.04","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","","- C15 H12 Mn N2 O7 -","- C15 H12 Mn N2 O7 -","- C60 H48 Mn4 N8 O28 -","4","1","LN3137","Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K","Acta Crystallographica Section C","2010","66","4","m97","m100","10.1107/S0108270110006979","","","0.71073","MoKα","","0.0263","0.0239","","","0.0605","0.0621","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017618","16.5171","0.0008","10.4952","0.0005","18.2931","0.0009","90","","116.272","0.001","90","","2843.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(2-hydroxy-3-methoxybenzylideneamino)phenolato- κ<i>O</i>]dimethylsilicon","","- C30 H30 N2 O6 Si -","- C30 H30 N2 O6 Si -","- C120 H120 N8 O24 Si4 -","4","1","LN3141","Böhme, Uwe; Fels, Sabine","Pentacoordination <i>versus</i> tetracoordination in silicon derivatives of an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2010","66","4","o202","o205","10.1107/S0108270110009285","","","0.71073","MoKα","","0.0529","0.0361","","","0.0928","0.1001","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017619","9.0207","0.0003","12.8134","0.0005","12.9427","0.0005","90","","91.303","0.002","90","","1495.61","0.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(3-methoxy-2-oxidobenzylideneamino)phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']dimethylsilicon","","- C16 H17 N O3 Si -","- C16 H17 N O3 Si -","- C64 H68 N4 O12 Si4 -","4","1","LN3141","Böhme, Uwe; Fels, Sabine","Pentacoordination <i>versus</i> tetracoordination in silicon derivatives of an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2010","66","4","o202","o205","10.1107/S0108270110009285","","","0.71073","MoKα","","0.0432","0.0367","","","0.1049","0.1092","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017620","10.948","0.002","13.548","0.003","15.828","0.003","108.96","0.03","94.57","0.03","110.33","0.03","2032.3","1","298","1","298","2","","","","","","","","6","P -1","-P 1","2","","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(N,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)]‒ bis(μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>')-bis(μ~2~-ferrocenecarboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(N,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)] (0.84/0.16)","","- C39.57 H43.05 Cu2 Fe2.84 N2 O10 -","- C39.569 H43.046 Cu2 Fe2.841 N2 O10 -","- C79.138 H86.092 Cu4 Fe5.682 N4 O20 -","2","1","LN3142","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Wang, Jin-Gen","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]. Corrigendum","Acta Crystallographica Section C","2010","66","4","e11","e12","10.1107/S0108270110009443","","","0.71073","MoKα","","0.08","0.0526","","","0.1338","0.1547","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017621","5.1661","0.0001","10.3981","0.0002","18.2979","0.0003","90","","90","","90","","982.92","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Cysteinylhydroquinone","(2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","","- C9 H11 N O4 S -","- C9 H11 N O4 S -","- C36 H44 N4 O16 S4 -","4","1","MX3028","Kociok-Köhn, Gabriele; Lewis, Simon E.","Crystallographic rationalization of the reactivity and spectroscopic properties of (2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","Acta Crystallographica Section C","2010","66","4","o187","o189","10.1107/S0108270110005780","","","0.71073","MoKα","","0.0449","0.0337","","","0.072","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017622","9.8895","0.0003","16.1689","0.0005","18.4642","0.0007","90","","90","","90","","2952.47","0.17","293","2","293","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","tetradehydrohaliclonacyclamine A","(1S,16S,17S,31S)-3,20- Diazatetracyclo[15,15,0^1,17^,1^3,31^,1^16,20^]tetratriaconta-6,8,23,25- tetraene","","- C32 H52 N2 -","- C32 H52 N2 -","- C128 H208 N8 -","4","1","SK3354","Mudianta, I. Wayan; Garson, Mary J.; Bernhardt, Paul V.","The 293K structure of tetradehydrohaliclonacyclamine A","Acta Crystallographica Section C","2010","66","4","o176","o178","10.1107/S0108270110004634","","","1.5418","CuKα","","0.0938","0.0491","","","0.1305","0.1477","","","","","","0.881","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017623","28.1954","0.0015","19.6534","0.0011","15.7245","0.0009","90","","121.348","0.001","90","","7441.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate","","- C36 H31 Cd Cl2 N6 O11.5 -","- C36 H31 Cd Cl2 N6 O11.5 -","- C288 H248 Cd8 Cl16 N48 O92 -","8","1","SK3355","Sun, Yu-Hui; Du, Zi-Yi; Zhang, Shi-Yong; He, Yan-Fang; Zhou, Zhong-Gao","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) bis(perchlorate) 3.5-hydrate: a water chain stabilized by perchlorate anions","Acta Crystallographica Section C","2010","66","4","m104","m106","10.1107/S0108270110004567","","","0.71073","MoKα","","0.0567","0.0399","","","0.0991","0.1089","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017624","5.22187","0.00019","6.5081","0.0002","9.1165","0.0003","99.0064","0.0015","102.448","0.0015","90.2997","0.0018","298.562","0.017","295","","295","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[dibromidocopper(II)]-bis(μ-2-methyl-2<i>H</i>-tetrazol- 5-amine)-κ^2^<i>N</i>^4^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^4^]","","- C4 H10 Br2 Cu N10 -","- C4 H10 Br2 Cu N10 -","- C4 H10 Br2 Cu N10 -","1","0.5","SK3362","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Mosalkova, Anastasiya P.; Gaponik, Pavel N.; Ivashkevich, Oleg A.","Copper(II) chloride and bromide complexes with 2-methyl-2<i>H</i>-tetrazol-5-amine: an X-ray powder diffraction study","Acta Crystallographica Section C","2010","66","4","m114","m117","10.1107/S0108270110009510","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.74","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017625","5.16248","0.00013","6.32103","0.00016","8.9925","0.0002","100.165","0.0013","101.454","0.0012","90.4234","0.0012","282.813","0.012","295","2","295","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[dichloridocopper(II)]-bis(μ-2-methyl-2<i>H</i>-tetrazol- 5-amine)-κ^2^<i>N</i>^4^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^4^]","","- C4 H10 Cl2 Cu N10 -","- C4 H10 Cl2 Cu N10 -","- C4 H10 Cl2 Cu N10 -","1","0.5","SK3362","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Mosalkova, Anastasiya P.; Gaponik, Pavel N.; Ivashkevich, Oleg A.","Copper(II) chloride and bromide complexes with 2-methyl-2<i>H</i>-tetrazol-5-amine: an X-ray powder diffraction study","Acta Crystallographica Section C","2010","66","4","m114","m117","10.1107/S0108270110009510","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.56","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017626","7.649","0.004","10.504","0.002","10.538","0.002","117.624","0.003","104.576","0.004","94.663","0.004","706.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)-3,5-dimethyl-1<i>H</i>- pyrazol-2-ium dihydrogen phosphate","","- C11 H19 N4 O4 P -","- C11 H19 N4 O4 P -","- C22 H38 N8 O8 P2 -","2","1","SK3363","Hazra, Dipak K.; Chatterjee, Rajarshi; Ali, Mahammad; Mukherjee, Monika","4-(3,5-Dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)-3,5-dimethyl-1<i>H</i>-pyrazol-2-ium dihydrogen phosphate: a combined X-ray and DFT study","Acta Crystallographica Section C","2010","66","4","o190","o193","10.1107/S0108270110007134","","","0.71073","MoKα","","0.083","0.0516","","","0.1206","0.1357","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017627","14.0831","0.0014","10.6487","0.0012","5.7225","0.0006","90","","106.739","0.007","90","","821.82","0.15","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","bis(trimethylsilyl)acetylene benzene solvate","","- C14 H24 Si2 -","- C14 H24 Si2 -","- C28 H48 Si4 -","2","0.25","SK3366","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Bolte, Michael","C—H···π interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene","Acta Crystallographica Section C","2010","66","4","o182","o184","10.1107/S0108270110005846","","","0.71073","MoKα","","0.0352","0.0327","","","0.0887","0.0902","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017628","5.7078","0.0006","9.0681","0.0007","14.4212","0.0016","90","","99.741","0.009","90","","735.66","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,2-diphenylacetylene benzene solvate","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","0.5","SK3366","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Bolte, Michael","C—H···π interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene","Acta Crystallographica Section C","2010","66","4","o182","o184","10.1107/S0108270110005846","","","0.71073","MoKα","","0.0411","0.0358","","","0.0968","0.0993","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017629","10.0761","0.0012","10.5208","0.0008","11.1868","0.0019","96.546","0.007","95.79","0.009","116.035","0.009","1043.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-2-chloro- <i>N</i>-(4-methoxybenzyl)acetamide","","- C23 H26 Cl N3 O2 -","- C23 H26 Cl N3 O2 -","- C46 H52 Cl2 N6 O4 -","2","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.1118","0.0549","","","0.1268","0.1538","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017630","10.12","0.002","10.7732","0.0018","19.2751","0.0014","90","","95.662","0.009","90","","2091.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-2-chloro- <i>N</i>-(4-chlorobenzyl)acetamide","","- C22 H23 Cl2 N3 O -","- C22 H23 Cl2 N3 O -","- C88 H92 Cl8 N12 O4 -","4","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.085","0.0488","","","0.099","0.1159","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017631","9.6847","0.0014","11.3127","0.0009","12.3425","0.0012","77.04","0.008","72.789","0.009","84.977","0.009","1258.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-[<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)- <i>N</i>-(4-methylbenzyl)carbamoyl]methyl <i>O</i>-ethyl carbonodithioate","","- C26 H31 N3 O2 S2 -","- C26 H31 N3 O2 S2 -","- C52 H62 N6 O4 S4 -","2","1","SK3367","López, Gerson; Jaramillo, L. Marina; Abonia, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in three substituted <i>N</i>-benzyl-<i>N</i>-(3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)acetamides","Acta Crystallographica Section C","2010","66","4","o168","o173","10.1107/S0108270110006244","","","0.71073","MoKα","","0.1773","0.0561","","","0.1269","0.1723","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017632","13.7831","0.0014","7.5324","0.0009","15.2987","0.0012","90","","94.925","0.008","90","","1582.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin- 6-ium chloride monohydrate","","- C16 H21 Cl N6 O -","- C16 H21 Cl N6 O -","- C64 H84 Cl4 N24 O4 -","4","1","SK3368","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","2-Amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o154","o158","10.1107/S0108270110006967","","","0.71073","MoKα","","0.075","0.0439","","","0.095","0.1113","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017633","10.9559","0.0013","11.2372","0.0013","11.432","0.002","102.894","0.012","112.176","0.014","107.512","0.01","1149","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5- <i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1)","","- C25 H27 Cl N8 -","- C25 H27 Cl N8 -","- C50 H54 Cl2 N16 -","2","1","SK3368","Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","2-Amino-4-(piperidin-1-yl)-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11<i>H</i>-pyrimido[4,5-<i>b</i>][1,5]benzodiazepin-6-ium chloride‒benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2010","66","4","o154","o158","10.1107/S0108270110006967","","","0.71073","MoKα","","0.07","0.042","","","0.0903","0.1029","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017634","12.4858","0.0002","18.8016","0.0003","9.8354","0.0002","90","","96.601","0.0013","90","","2293.58","0.07","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,7,9,13,15,19,21- octaazapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octaeicosane monohydrate","","- C20 H42 N8 O -","- C20 H42 N8 O -","- C80 H168 N32 O4 -","4","1","SK3369","Rivera, Augusto; Ríos-Motta, Jaime; Dušek, Michal; Jarošová, Markéta","Unexpected conformational consequences of weak hydrogen bonds on 1,3,7,9,13,15,19,21-octaazapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosane monohydrate","Acta Crystallographica Section C","2010","66","4","o222","o224","10.1107/S0108270110010413","","","1.54184","CuKα","","0.0363","0.0341","","","0.1237","0.1253","","","","","","2.73","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017635","5.6445","0.0005","25.744","0.003","8.3894","0.0011","90","","95.124","0.009","90","","1214.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-7-chloro-2-<i>exo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0843","0.0484","","","0.1116","0.1292","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017636","5.289","0.0009","9.3076","0.0016","13.551","0.003","94.554","0.015","94.684","0.015","97.298","0.014","656.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>,4<i>RS</i>)-8-chloro-9-methyl-2-<i>endo</i>-(2-methylprop-1-enyl)- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H18 Cl N O -","- C15 H18 Cl N O -","- C30 H36 Cl2 N2 O2 -","2","1","SK3373","Acosta, Lina M.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2010","66","4","o209","o214","10.1107/S0108270110009017","","","0.71073","MoKα","","0.0697","0.0491","","","0.1042","0.1127","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017637","6.2","0.0012","10.89","0.002","12.53","0.003","90","","100.49","0.03","90","","831.9","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","SQ3232","Andrade, L. C. R.; de Almeida, M. J. M.; Neves, M. A. C.; Dinis, T. C. P.; Sá e Melo, M. L.","6β-Methyl-<i>B</i>-norandrostenedione","Acta Crystallographica Section C","2010","66","4","o185","o186","10.1107/S0108270110005871","","","0.71073","MoKα","","0.05","0.0363","","","0.0926","0.0997","","","","","","1.06","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017638","8.4945","0.0005","8.4945","0.0005","15.9195","0.0013","90","","90","","120","","994.8","0.12","295","","295","","","","","","","","","5","P 63 2 2","P 6c 2c","182","Cobalt(sepulchrate)trinitrate","[(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane) cobalt(III) trinitrate","","- C12 H30 Co N11 O9 -","- C12 H30 Co N11.0002 O9.0006 -","- C24 H60 Co2 N22.0004 O18.0012 -","2","0.166667","SU3043","Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs","Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate","Acta Crystallographica Section C","2010","66","4","m107","m109","10.1107/S0108270110005755","","","0.71069","MoKα","","0.0358","0.0342","","","0.0528","0.0532","","","","","","2.25","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017639","16.197","0.001","16.197","0.001","16.197","0.001","90","","90","","90","","4249.2","0.5","295","","295","","","","","","","","","6","F 2 3","F 2 2 3","196","","aluminium barium lanthanum ruthenium strontium oxide","","- Al13.92 Ba8 La26.32 O167.04 Ru18.08 Sr53.68 -","- Al13.984 Ba8 La26.424 O167.04 Ru18.016 Sr53.576 -","- Al13.984 Ba8 La26.424 O167.04 Ru18.016 Sr53.576 -","1","0.0208333","FA3216","Zúñiga, F. J.; García-García, F. J.; Hoelzel, M.; Reller, A.","Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite with isolated RuO~6~ units","Acta Crystallographica Section C","2010","66","5","i50","i54","10.1107/S0108270110013879","","","0.71069","MoKα","","0.0529","0.0433","","","0.0867","0.0904","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017640","16.197","0.001","16.197","0.001","16.197","0.001","90","","90","","90","","4249.2","0.5","298","","298","","","","","","","","","6","F 2 3","F 2 2 3","196","","aluminium barium lanthanum ruthenium strontium oxide","","- Al13.984 Ba8 La26.424 O167.193 Ru18.02 Sr53.64 -","- Al14.096 Ba8 La26.736 O167.04 Ru17.904 Sr53.264 -","- Al14.096 Ba8 La26.736 O167.04 Ru17.904 Sr53.264 -","1","0.0208333","FA3216","Zúñiga, F. J.; García-García, F. J.; Hoelzel, M.; Reller, A.","Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite with isolated RuO~6~ units","Acta Crystallographica Section C","2010","66","5","i50","i54","10.1107/S0108270110013879","powder diffraction","neutron","1.548","neutron","","","","","","","","","","4.65","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017641","16.932","0.003","5.0171","0.001","10.564","0.002","90","","91.27","0.03","90","","897.2","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diammineaqua-bis[zincophosphato(V)]zinc","ammineaquadi-μ~5~-phosphato-trizinc(II)","","- H5.2 N1.2 O8.8 P2 Zn3 -","- H5.20002 N1.2 O8.8 P2 Zn3 -","- H20.8001 N4.8 O35.2 P8 Zn12 -","4","0.5","FA3219","Stojanović, Jovica; Dordević, Tamara; Karanović, Ljiljana","[Zn~3~(PO~4~)~2~(H~2~O)~0.8~(NH~3~)~1.2~]","Acta Crystallographica Section C","2010","66","5","i55","i57","10.1107/S0108270110014885","","","0.71073","MoKα","","0.0142","0.0135","","","0.0352","0.0354","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017642","10.2311","0.0015","13.041","0.002","17.344","0.003","73.969","0.006","88.123","0.006","70.353","0.006","2090","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","[μ-4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene]bis[(trifluoroacetato)gold(I)]","","- C43 H32 Au2 F6 O5 P2 -","- C43 H32 Au2 F6 O5 P2 -","- C86 H64 Au4 F12 O10 P4 -","2","1","FG3162","Tunyogi, Tünde; Deák, Andrea","[μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)] and its dichloromethane 0.58-solvate","Acta Crystallographica Section C","2010","66","5","m133","m136","10.1107/S0108270110013363","","","0.7107","MoKα","","0.0486","0.0413","","","0.1023","0.1077","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017643","10.548","0.003","17.028","0.004","24.724","0.007","90","","100.253","0.011","90","","4370","2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene]bis[(trifluoroacetato)gold(I)] dichloromethane 0.58-solvate","","- C43.58 H33.16 Au2 Cl1.15 F6 O5 P2 -","- C43 H32 Au2 F6 O5 P2 -","- C172 H128 Au8 F24 O20 P8 -","4","1","FG3162","Tunyogi, Tünde; Deák, Andrea","[μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)] and its dichloromethane 0.58-solvate","Acta Crystallographica Section C","2010","66","5","m133","m136","10.1107/S0108270110013363","","","0.7107","MoKα","","0.0451","0.0365","","","0.0893","0.0924","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017644","6.2221","0.0007","25.234","0.003","8.4624","0.0009","90","","95.355","0.001","90","","1322.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4<i>H</i>-1-benzopyran-4-one","","- C15 H F9 O2 -","- C15 H F9 O2 -","- C60 H4 F36 O8 -","4","1","FG3163","Hori, Akiko; Naganuma, Kohei","Fully and partially fluorinated flavone derivatives","Acta Crystallographica Section C","2010","66","5","o256","o259","10.1107/S0108270110013387","","","0.71073","MoKα","","0.0464","0.0345","","","0.0826","0.094","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017645","7.54","0.0011","6.4742","0.001","23.92","0.004","90","","94.635","0.002","90","","1163.8","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7,8-tetrafluoro-2-phenyl-4<i>H</i>-1-benzopyran-4-one","","- C15 H6 F4 O2 -","- C15 H6 F4 O2 -","- C60 H24 F16 O8 -","4","1","FG3163","Hori, Akiko; Naganuma, Kohei","Fully and partially fluorinated flavone derivatives","Acta Crystallographica Section C","2010","66","5","o256","o259","10.1107/S0108270110013387","","","0.71073","MoKα","","0.0606","0.0403","","","0.0865","0.0943","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017646","13.8005","0.0005","10.0348","0.0003","13.4973","0.0004","90","","117.008","0.001","90","","1665.33","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","dichloridotriphenylantimony","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","2","FG3167","MacDonald, Daniel J.; Jennings, Michael C.; Preuss, Kathryn E.","A new polymorph of dichloridotriphenylantimony","Acta Crystallographica Section C","2010","66","5","m137","m140","10.1107/S010827011001437X","","","0.71073","MoKα","","0.0165","0.0156","","","0.0362","0.0365","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017647","26.272","0.005","8.8773","0.0018","14.453","0.003","90","","115.46","0.03","90","","3043.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ-4-benzoyl-1-isonicotinoylthiosemicarbazide- κ^2^<i>N</i>:<i>S</i>)dichloridocadmium(II)]","","- C28 H24 Cd Cl2 N8 O4 S2 -","- C28 H24 Cd Cl2 N8 O4 S2 -","- C112 H96 Cd4 Cl8 N32 O16 S8 -","4","0.5","FN3054","Wang, Yu-Bo; Pan, Tong-Hen; Liang, Qian; Liu, Dong-Sheng; Huang, Chang-Cang","Poly[bis(μ-4-benzoyl-1-isonicotinoylthiosemicarbazide-κ^2^<i>N</i>:<i>S</i>)dichloridocadmium(II)]","Acta Crystallographica Section C","2010","66","5","m127","m129","10.1107/S0108270110011455","","","0.71073","MoKα","","0.0397","0.0367","","","0.0667","0.0677","","","","","","1.233","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017648","12.7458","0.0008","5.807","0.0003","14.721","0.001","90","","113.519","0.007","90","","999.06","0.12","292","","292","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dithallium chromate","","- Cr O4 Tl2 -","- Cr O4 Tl2 -","- Cr8 O32 Tl16 -","8","1","FN3055","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl","A new modification of thallium chromate related to the β-K~2~SO~4~ family","Acta Crystallographica Section C","2010","66","5","i45","i49","10.1107/S0108270110010425","","","0.71073","MoKα","","0.0806","0.0331","","","0.0795","0.0857","","","","","","0.94","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017649","6.9596","0.0003","17.2201","0.0009","8.7147","0.0004","90","","103.315","0.004","90","","1016.34","0.08","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","bromodragonfly 3,5-dinitrosalicylate","1-(8-bromobenzo[1,2-<i>b</i>;5,4-<i>b</i>']difuran-4-yl)propan-2-aminium 2-carboxy-4,6-dinitrophenolate","","- C20 H16 Br N3 O9 -","- C20 H16 Br N3 O9 -","- C40 H32 Br2 N6 O18 -","2","1","GA3145","Smith, Graham; Cotton, Marcus S.; Wermuth, Urs D.; Boyd, Sue E.","Crystallographic characterization of the first reported crystalline form of the potent hallucinogen (<i>R</i>)-2-amino-1-(8-bromobenzo[1,2-<i>b</i>;5,4-<i>b</i>']difuran-4-yl)propane or `bromodragonfly': the 1:1 anhydrous proton-transfer compound with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2010","66","5","o252","o255","10.1107/S0108270110012850","","","0.71073","MoKα","","0.0586","0.0476","","","0.1066","0.1123","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017650","10.3839","0.0005","7.9745","0.0003","20.5463","0.0008","90","","109.846","0.002","90","","1600.32","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,6-difluorophenyl)-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","GG3222","Fatila, Elisabeth M.; Jennings, Michael C.; Goodreid, Jordan; Preuss, Kathryn E.","A third polymorph of 4-(2,6-difluorophenyl)-1,2,3,5-dithiadiazolyl","Acta Crystallographica Section C","2010","66","5","o260","o264","10.1107/S0108270110014393","","","0.71073","MoKα","","0.0656","0.0389","","","0.0829","0.0917","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017651","3.7797","0.0017","10.362","0.003","11.297","0.003","62.92","0.02","82.3","0.03","87.6","0.04","390.3","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]","","- C12 H16 F6 N2 O4 V2 -","- C12 H16 F6 N2 O4 V2 -","- C12 H16 F6 N2 O4 V2 -","1","0.5","GG3227","Aldous, David W.; Slawin, Alexandra M. Z.; Lightfoot, Philip","A new chain structure: <i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]","Acta Crystallographica Section C","2010","66","5","m130","m132","10.1107/S010827011001156X","","","0.71075","MoKα","","0.0395","0.0329","","","0.0765","0.08","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017652","8.2228","0.0003","8.3506","0.0002","28.7043","0.001","90","","90","","90","","1970.99","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine","","- C22 H21 Cl N4 O -","- C22 H21 Cl N4 O -","- C88 H84 Cl4 N16 O4 -","4","1","GG3232","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine: polarized molecules within sheets of π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2010","66","5","o245","o248","10.1107/S0108270110012023","","","0.71073","MoKα","","0.0897","0.0555","","","0.1185","0.1341","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017653","4.8358","0.0017","10.293","0.004","17.403","0.006","90","","97.524","0.01","90","","858.8","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-{(5<i>S</i>)-3-[4-(5,6-dihydro-2<i>H</i>,4<i>H</i>-2- methylpyrrolo[3,4-<i>c</i>]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3- oxazolidin-5-yl}acetamide","","- C18 H20 F N5 O3 -","- C18 H20 F N5 O3 -","- C36 H40 F2 N10 O6 -","2","1","MX3027","Cheung, Eugene Y.; Peterson, Matthew L.; Chiarella, Renato; Foxman, Bruce M.","A novel oxazolidinone antibiotic: RWJ-416457","Acta Crystallographica Section C","2010","66","5","o249","o251","10.1107/S0108270110009339","","","0.71073","MoKα","","0.0852","0.0491","","0.0868","0.0744","0.0868","","","","","","0.9625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017654","11.261","0.002","11.261","0.002","13.495","0.006","90","","90","","120","","1482","0.8","298","2","298","2","","","","","","","","5","P 32","P 32","145","","poly[diaqua(μ~2~-4,4'-bipyridine)(μ~2~-4-carboxylatocinnamato)nickel(II)]","","- C20 H18 N2 Ni O6 -","- C20 H18 N2 Ni O6 -","- C60 H54 N6 Ni3 O18 -","3","1","SQ3241","Wang, Suna; Wang, Daqi; Dou, Jianmin; Li, Dacheng","An unusual three-dimensional chiral threefold polycatenating network self-assembled from inclined two-dimensional (4,4) layer motifs","Acta Crystallographica Section C","2010","66","5","m141","m144","10.1107/S0108270110012394","","","0.71073","MoKα","","0.1076","0.0714","","","0.1806","0.2108","","","","","","1.06","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017655","6.9612","0.0014","12.043","0.002","26.481","0.005","90","","94.97","0.03","90","","2211.7","0.7","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","dicopper(I) triselenostannate(IV)","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu32 Se48 Sn16 -","16","4","SQ3242","Gulay, L. D.; Daszkiewicz, M.; Ostapyuk, T. A.; Klymovych, O. S.; Zmiy, O. F.","Monoclinic Cu~2~Se~3~Sn","Acta Crystallographica Section C","2010","66","5","i58","i60","10.1107/S0108270110014034","","","0.71073","MoKα","","0.0821","0.0465","","","0.0924","0.1038","","","","","","0.76","","","","has coordinates,has Fobs","199611","2020-10-21","18:00:00",""
"2017656","4.7578","0.0002","13.8845","0.0004","10.1331","0.0003","90","","103.465","0.002","90","","650.99","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","0.5","UK3019","Lee, Gene-Hsiang","Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","Acta Crystallographica Section C","2010","66","5","o241","o244","10.1107/S0108270110010280","","","0.71073","MoKα","","0.0937","0.0404","","","0.0857","0.1006","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017657","5.3668","0.0005","10.7271","0.001","14.8628","0.0014","90","","94.746","0.002","90","","852.72","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","","- C14 H16 N6 O8 -","- C14 H16 N6 O8 -","- C28 H32 N12 O16 -","2","0.5","UK3019","Lee, Gene-Hsiang","Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate","Acta Crystallographica Section C","2010","66","5","o241","o244","10.1107/S0108270110010280","","","0.71073","MoKα","","0.0864","0.0522","","","0.1223","0.1403","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017658","34.176","0.003","9.1227","0.0009","12.1235","0.0011","90","","91.962","0.008","90","","3777.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloroacetyl-3-ethyl-2,6-diphenylpiperidin-4-one oxime","","- C21 H23 Cl N2 O2 -","- C21 H23 Cl N2 O2 -","- C168 H184 Cl8 N16 O16 -","8","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","0.71073","MoKα","","0.1237","0.0499","","","0.0702","0.0787","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017659","33.849","0.003","9.025","0.001","11.98","0.001","90","","92.51","0.01","90","","3656.2","0.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloroacetyl-3-ethyl-2,6-diphenylpiperidin-4-one oxime","","- C21 H23 Cl N2 O2 -","- C21 H23 Cl N2 O2 -","- C168 H184 Cl8 N16 O16 -","8","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","0.71073","MoKα","","0.0357","0.0302","","","0.0765","0.0783","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017660","9.469","0.001","16.658","0.002","12.653","0.002","90","","90.29","0.01","90","","1995.8","0.4","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-chloroacetyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-one oxime","","- C22 H25 Cl N2 O2 -","- C22 H25 Cl N2 O2 -","- C88 H100 Cl4 N8 O8 -","4","1","DN3141","Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramachandran, R.; Kabilan, S.; Kubicki, Maciej","Different hydrogen-bonding modes in two closely related oximes","Acta Crystallographica Section C","2010","66","6","o274","o278","10.1107/S0108270110015532","","","1.54184","CuKα","","0.0469","0.0447","","","0.1189","0.1204","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017661","9.6263","0.0002","12.8911","0.0004","19.4499","0.0006","72.847","0.002","79.812","0.002","88.897","0.002","2268.5","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","dmh097","tetrakis(μ~2~-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)-1:2κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^7^;1:2κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^7^;2:3κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^1^;2:3κ^3^<i>O</i>^7^:<i>O</i>^1^,<i>O</i>^7^-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)-1κ^2^<i>O</i>^1^,<i>O</i>^7^;3κ^2^<i>O</i>^1^,<i>O</i>^7^-tricopper(II)‒bis(μ-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)-κ^3^<i>O</i>^1^,<i>O</i>^7^:<i>O</i>^7^;κ^3^<i>O</i>^7^:<i>O</i>^1^,<i>O</i>^7^-bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)] (1/1)","","- C100 H110 Cu5 O20 -","- C100 H110 Cu5 O20 -","- C100 H110 Cu5 O20 -","1","0.5","EG3045","Ho, Douglas M.","Bis(hinokitiolato)copper(II): modification (III)","Acta Crystallographica Section C","2010","66","6","m145","m148","10.1107/S0108270110015581","","","0.71073","MoKα","","0.1121","0.0558","","","0.1231","0.149","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017662","6.0741","0.0007","13.8336","0.0016","26.076","0.003","90","","90","","90","","2191.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'- piperazine]-3',6'-dione dimethylformamide solvate","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C92 H104 Br4 N12 O16 -","4","1","EG3048","Nichol, Gary S.; Murigi, Francis N.; Mash, Eugene A.","A synchrotron study of (2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'-piperazine]-3',6'-dione dimethylformamide solvate","Acta Crystallographica Section C","2010","66","6","o302","o304","10.1107/S0108270110017579","","","0.7749","synchrotron","","0.043","0.0336","","0.0733","0.0661","0.0733","","","","","","0.9978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017663","8.2438","0.0008","5.1781","0.0004","15.8222","0.0016","90","","97.445","0.005","90","","669.71","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trizinc(II) diarsenite","trizinc(II) bis[trioxidoarsenate(III)]","","- As2 O6 Zn3 -","- As2 O6 Zn3 -","- As8 O24 Zn12 -","4","1","FA3222","Harrison, William T. A.","β-Zn~3~(AsO~3~)~2~","Acta Crystallographica Section C","2010","66","6","i64","i66","10.1107/S0108270110017403","","","0.71073","MoKα","","0.1249","0.0635","","","0.128","0.1515","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017664","14.195","0.006","4.816","0.003","17.029","0.006","90","","102.58","0.03","90","","1136.2","1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Histidine‒Inosine-5'-phosphate complex methanol solvate hydrate","L-Histdinium inosine-5'-phosphate methanol solvate monohydrate","","- C17 H28 N7 O12 P -","- C17 H28 N7 O12 P -","- C34 H56 N14 O24 P2 -","2","1","FG3159","Ślepokura, Katarzyna; Petrus, Rafał","Nucleotide‒amino acid interactions in the <small>L</small>-His‒IMP·MeOH·H~2~O complex","Acta Crystallographica Section C","2010","66","6","o265","o269","10.1107/S0108270110014381","","","0.71073","MoKα","","0.1492","0.0515","","","0.0565","0.0698","","","","","","0.774","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017665","9.9962","0.0001","9.9962","0.0001","15.5364","0.0003","90","","90","","120","","1344.47","0.03","293","","293","","","","","","","","","4","P -3","-P 3","147","","silver thallium molybdenum selenide","","- Ag2.535 Mo12 Se15 Tl2 -","- Ag2.535 Mo12 Se15 Tl2 -","- Ag5.07 Mo24 Se30 Tl4 -","2","0.333333","FN3050","Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.","Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2010","66","6","i67","i70","10.1107/S0108270110018536","","","0.71069","MoKα","","0.0807","0.0476","","","0.0732","0.0794","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017666","27.2046","0.0006","7.3566","0.0002","12.6687","0.0003","90","","91.621","0.002","90","","2534.41","0.11","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","benzamidinidium orotate hemihydrate","benzamidinidium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate hemihydrate","","- C12 H13 N4 O4.5 -","- C12 H13 N4 O4.5 -","- C96 H104 N32 O36 -","8","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0907","0.0649","","","0.1421","0.1518","","","","","","1.202","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017667","11.3562","0.0002","6.0402","0.0001","22.3763","0.0004","90","","96.221","0.002","90","","1525.84","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzamidinium isoorotate trihydrate","benzamidinium 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate trihydrate","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C48 H72 N16 O28 -","4","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.1346","0.0865","","","0.1671","0.1856","","","","","","1.238","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017668","10.7607","0.0003","5.0998","0.0002","27.2412","0.0005","90","","98.2485","0.0011","90","","1479.46","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzamidinium diliturate dihydrate","benzamidinium 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate dihydrate","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0748","0.0642","","","0.1598","0.1654","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017669","4.3625","0.0004","10.4461","0.0011","13.8556","0.0012","78.551","0.007","86.841","0.008","84.051","0.007","615.13","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","benzamidinidium 5-nitrouracilate","benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide","","- C11 H11 N5 O4 -","- C11 H11 N5 O4 -","- C22 H22 N10 O8 -","2","1","FN3053","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. I. Four molecular salts with uracil derivatives","Acta Crystallographica Section C","2010","66","6","o295","o301","10.1107/S0108270110016252","","","0.7107","MoKα","","0.0895","0.0508","","","0.1075","0.1187","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017670","7.009","0.0002","10.504","0.0003","25.562","0.0009","90","","90","","90","","1881.94","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","1","GD3337","Ejsmont, Krzysztof; Boeglin, Joel; Didierjean, Claude; Guichard, Gilles; Jelsch, Christian","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate refined using a multipolar atom model","Acta Crystallographica Section C","2010","66","6","o292","o294","10.1107/S0108270110016331","","","0.71073","MoKα","","0.048","0.0359","","","0.0253","0.0266","","","","","","1.651","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017671","7.468","0.0015","8.439","0.0017","9.819","0.002","105.11","0.03","111.98","0.03","97.04","0.03","537","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato- κ^2^<i>O</i>,<i>O</i>']magnesium(II)","","- C10 H22 Mg N4 O16 P4 -","- C10 H22 Mg N4 O16 P4 -","- C10 H22 Mg N4 O16 P4 -","1","0.5","GD3341","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>","Acta Crystallographica Section C","2010","66","6","m166","m170","10.1107/S0108270110017634","","","0.71073","MoKα","","0.057","0.0523","","","0.1459","0.1514","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017672","13.7027","0.0015","7.0429","0.0008","11.004","0.0012","90","","94.007","0.01","90","","1059.4","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquacalcium(II)]-μ~3~-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]- κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'']","","- C5 H10 Ca N2 O8 P2 -","- C5 H10 Ca N2 O8 P2 -","- C20 H40 Ca4 N8 O32 P8 -","4","1","GD3341","Freire, Eleonora; Vega, Daniel R.; Baggio, Ricardo","Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C~5~H~9~N~2~O~7~P~2~)~2~(H~2~O)~2~] and [Ca(C~5~H~8~N~2~O~7~P~2~)(H~2~O)]~<i>n~</i>","Acta Crystallographica Section C","2010","66","6","m166","m170","10.1107/S0108270110017634","","","0.71073","MoKα","","0.0486","0.034","","","0.0826","0.0852","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017673","9.0996","0.001","11.2154","0.0012","23.974","0.003","90","","90","","90","","2446.7","0.5","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","GD3345","Howard, Ruth H.; Theobald, Nicola; Bochmann, Manfred; Wright, Joseph A.","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","Acta Crystallographica Section C","2010","66","6","o310","o312","10.1107/S0108270110018433","","","0.71073","MoKα","","0.1121","0.0557","","","0.0871","0.1012","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017674","12.9726","0.0009","4.7485","0.0003","14.1782","0.001","90","","116.309","0.003","90","","782.91","0.09","100","0.1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine","","- C16 H14 F6 N2 O2 -","- C16 H14 F6 N2 O2 -","- C32 H28 F12 N4 O4 -","2","0.5","GG3229","Lu, Norman; Tu, Wen-Han; Wu, Zong-Wei; Wen, Yuh-Sheng; Liu, Ling-Kang","4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine","Acta Crystallographica Section C","2010","66","6","o289","o291","10.1107/S0108270110014356","","","0.71073","MoKα","","0.0396","0.0314","","","0.0768","0.0819","","","","","","1.035","","","","has coordinates,has Fobs","209040","2020-10-21","18:00:00",""
"2017675","8.3396","0.0003","21.7131","0.0007","9.201","0.0003","90","","106.683","0.002","90","","1595.97","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-2-chloro-8,11-dimethyl-5,6,11,12- tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocine","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","GG3233","Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Ring conformations and intermolecular interactions in two fused dibenzoazocines","Acta Crystallographica Section C","2010","66","6","o284","o288","10.1107/S0108270110014708","","","0.71073","MoKα","","0.0801","0.0552","","","0.1294","0.1428","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017676","18.9549","0.001","9.8917","0.0004","9.4354","0.0005","90","","97.348","0.003","90","","1754.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14-acetyl-8,11-dimethyl-7,8,13,14- tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine‒14-acetyl- 8,9-dimethyl-7,8,13,14-tetrahydrobenzo[<i>f</i>]naphtho[1,2-<i>b</i>]azocine (74/26)","","- C23 H23 N O -","- C23.023 H23.023 N1.001 O1.001 -","- C92.092 H92.092 N4.004 O4.004 -","4","1","GG3233","Yepes, Andrés F.; Jaimes, Ederson; Bahsas, Ali; Palma, Alirio; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","Ring conformations and intermolecular interactions in two fused dibenzoazocines","Acta Crystallographica Section C","2010","66","6","o284","o288","10.1107/S0108270110014708","","","0.71073","MoKα","","0.0882","0.0541","","","0.1247","0.1417","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017677","15.436","0.005","13.622","0.007","9.359","0.005","90","","105","0.04","90","","1900.9","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-dione","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","GZ3177","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2010","66","6","o305","o309","10.1107/S0108270110018500","","","0.71073","MoKα","","0.0762","0.0485","","","0.0956","0.1063","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017678","8.9952","0.0015","9.6201","0.0015","12.537","0.004","98.72","0.02","103.31","0.02","95.48","0.02","1033.9","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-methyl-7-(4-methylphenyl)-10-phenyl-5<i>H</i>- benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-dione","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C56 H38 N6 O4 -","2","1","GZ3177","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Two similarly substituted benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline-5,6(10<i>H</i>)-diones: supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2010","66","6","o305","o309","10.1107/S0108270110018500","","","0.71073","MoKα","","0.0833","0.0522","","","0.1021","0.1146","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017679","13.2312","0.0003","10.4394","0.0002","11.7282","0.0002","90","","95.518","0.002","90","","1612.46","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","1","LG3030","Barceló-Oliver, Miquel; Terrón, Angel; García-Raso, Angel; Lah, Nina; Turel, Iztok","Intermolecular C—H···π interactions in 1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline","Acta Crystallographica Section C","2010","66","6","o313","o316","10.1107/S010827011001841X","","","0.71073","MoKα","","0.0762","0.0465","","","","0.1334","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017680","9.9638","0.0018","22.644","0.004","14.723","0.003","90","","97.998","0.007","90","","3289.5","1.1","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tetrapotassium [μ~2~-<i>N</i>-carboxylato-D-penicillaminato(3-)- 5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-D-penicillaminato(1-)- 2,3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-D-penicillaminato(2-)]- 1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>; 3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>; 4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C33 H79 Au4 K4 N6 Ni2 O25 S6 -","- C66 H158 Au8 K8 N12 Ni4 O50 S12 -","2","1","LG3031","Hashimoto, Yuji; Taguchi, Mai; Yoshinari, Nobuto; Konno, Takumi","Tetrapotassium [μ~2~-<i>N</i>-carboxylato-<small>D</small>-penicillaminato(3‒)-5:6κ^2^<i>S</i>:<i>S</i>][μ~2~-<small>D</small>-penicillaminato(1‒)-2:3κ^2^<i>S</i>:<i>S</i>]tetrakis[μ~2~-<small>D</small>-penicillaminato(2‒)]-1:2κ^3^<i>N</i>,<i>S</i>:<i>S</i>;1:6κ^3^<i>N</i>,<i>S</i>:<i>S</i>;3:4κ^3^<i>S</i>:<i>N</i>,<i>S</i>;4:5κ^3^<i>N</i>,<i>S</i>:<i>S</i>-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate","Acta Crystallographica Section C","2010","66","6","m160","m162","10.1107/S0108270110016550","","","0.71075","MoKα","","0.036","0.0298","","","0.0589","0.0641","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017681","11.8719","0.0008","6.1493","0.0002","20.8247","0.0014","90","","121.18","0.005","90","","1300.67","0.15","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium semi-oxalate","Glycinium semi-oxalate","","- C4 H7 N O6 -","- C4 H7 N O6 -","- C32 H56 N8 O48 -","8","2","LN3139","Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.","Two new structures in the glycine‒oxalic acid system","Acta Crystallographica Section C","2010","66","6","o279","o283","10.1107/S0108270110015519","","","0.71073","MoKα","","0.0543","0.0465","","","0.1146","0.1194","","","1.065","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017682","5.0068","0.0007","11.3293","0.0015","12.893","0.002","90","","106.077","0.012","90","","702.73","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diglycinium oxalate methanol disolvate","","- C8 H20 N2 O10 -","- C8 H20 N2 O10 -","- C16 H40 N4 O20 -","2","0.5","LN3139","Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.","Two new structures in the glycine‒oxalic acid system","Acta Crystallographica Section C","2010","66","6","o279","o283","10.1107/S0108270110015519","","","0.71073","MoKα","","0.0569","0.0419","","","0.1029","0.1107","","","1.06","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017683","7.4025","0.0015","8.9349","0.0018","11.16","0.002","68.66","0.03","74.28","0.03","71.14","0.03","640.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tripotassium benzene-1,3,5-tris(trifluoroborate)","","- C6 H3 B3 F9 K3 -","- C6 H3 B3 F9 K3 -","- C12 H6 B6 F18 K6 -","2","1","LN3143","Franz, Daniel; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","The twinned crystal structure of tripotassium benzene-1,3,5-tris(trifluoroborate)","Acta Crystallographica Section C","2010","66","6","m152","m156","10.1107/S0108270110015787","","","0.71073","MoKα","","0.0776","0.0641","","","0.1736","0.1796","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017684","11.03798","0.00015","11.03798","0.00015","15.266","0.0002","90","","90","","120","","1610.78","0.04","130","2","130","2","","","","","","","","4","P 31","P 31","144","DABCO monohydrate","1,4-Diazabicyclo[2.2.2]octane monohydrate","","- C6 H14 N2 O -","- C6 H14 N2 O -","- C54 H126 N18 O9 -","9","3","SF3127","Wicher, Barbara; Gdaniec, Maria","Polymorphs of DABCO monohydrate as structural analogues of NaCl","Acta Crystallographica Section C","2010","66","6","o270","o273","10.1107/S0108270110015428","","","1.54178","CuKα","","0.0421","0.0417","","","0.1156","0.1161","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017685","5.1127","0.0005","17.8516","0.0016","17.8746","0.0001","90","","90","","90","","1631.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","(2<i>S</i>)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0731","0.0423","","","0.0943","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017686","6.6297","0.0009","8.1015","0.0012","29.268","0.004","90","","90","","90","","1572","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","2(S)-[4-(3-Fluorobenzyloxy) benzylamino] propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0448","0.0431","","","0.1199","0.1213","","","","","","1.218","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017687","8.2299","0.0005","10.2956","0.0006","10.9902","0.0005","63.662","0.005","89.775","0.004","77.221","0.005","809.14","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","Tricaesium tris(oxalato-κ^2^O^1^,O^2^)chromate(III) dihydrate","","- C6 H4 Cr Cs3 O14 -","- C6 H4 Cr Cs3 O14 -","- C12 H8 Cr2 Cs6 O28 -","2","1","SQ3237","Martin, Lee; Christian, Anthony; Akutsu, Hiroki","Tricaesium tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromate(III) dihydrate","Acta Crystallographica Section C","2010","66","6","m157","m159","10.1107/S0108270110014861","","","0.71073","MoKα","","0.0275","0.0247","","0.0589","0.058","0.0589","","","","","","0.9844","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017688","13.875","0.003","13.142","0.003","22.166","0.004","90","","90","","90","","4041.9","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]","","- C40 H34 N12 O9 Zn2 -","- C40 H34 N12 O9 Zn2 -","- C160 H136 N48 O36 Zn8 -","4","0.5","SQ3238","Duan, Li; Wu, Xiang-Wen; Ma, Jian-Ping; Dong, Yu-Bin","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section C","2010","66","6","m149","m151","10.1107/S0108270110014988","","","0.71073","MoKα","","0.0641","0.0435","","","0.1068","0.1184","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017689","7.313","0.003","11.056","0.005","14.572","0.007","74.376","0.006","79.57","0.007","87.592","0.007","1115.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichlorido{2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-\ oxadiazole}cobalt(II)","","- C22 H18 Cl2 Co N6 O -","- C22 H18 Cl2 Co N6 O -","- C44 H36 Cl4 Co2 N12 O2 -","2","1","SQ3243","Wu, Yan; Hou, Gui-Ge; Ma, Jian-Ping; Dong, Yu-Bin","A novel 18-membered metallocycle in {2,5-bis[3-(1<i>H</i>-1,3-imidazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole}dichloridocobalt(II)","Acta Crystallographica Section C","2010","66","6","m163","m165","10.1107/S0108270110016689","","","0.71073","MoKα","","0.0882","0.0619","","","0.1328","0.1459","","","","","","1.004","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017690","18.7819","0.0013","6.2881","0.0004","10.5581","0.0004","90","","116.443","0.004","90","","1116.48","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[diaquaoxido[μ~3~-trioxidoseleato(2-)]vanadium(IV)] hemihydrate]","","- H5 O6.5 Se V -","- H5 O6.5 Se V -","- H40 O52 Se8 V8 -","8","1","SQ3246","Harrison, William T. A.","[VO(SeO~3~)(H~2~O)~2~]·0.5H~2~O","Acta Crystallographica Section C","2010","66","6","i61","i63","10.1107/S0108270110016707","","","0.71073","MoKα","","0.0293","0.0236","","","0.0518","0.0541","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017691","7.235","0.002","10.823","0.004","9.545","0.003","90","","98.78","0.02","90","","738.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate","","- C11 H21 N2 O5 P -","- C11 H21 N2 O5 P -","- C22 H42 N4 O10 P2 -","2","1","DN3143","Arfaoui, Youssef; Kouass, Salah; Salah, Nesrine; Ben Akacha, Azaiez; Guesmi, Abderrahmen","Ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate: a combined X-ray and density functional theory (DFT) study","Acta Crystallographica Section C","2010","66","7","o353","o355","10.1107/S0108270110020688","","","0.71073","MoKα","","0.0306","0.028","","","0.0785","0.0802","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017692","7.6715","0.0005","16.0963","0.001","12.0406","0.0008","90","","91.666","0.005","90","","1486.18","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{1-[(4-chloroanilino)methylidene]ethyl}pyridinium chloride methanol solvate","","- C14 H17 Cl2 N3 O -","- C14 H17 Cl2 N3 O -","- C56 H68 Cl8 N12 O4 -","4","1","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.0419","0.0347","","","0.093","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017693","6.8522","0.0012","11.5134","0.0016","15.856","0.002","90","","90.048","0.016","90","","1250.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{1-[(4-fluoroanilino)methylidene]ethyl}pyridinium chloride","","- C13 H13 Cl F N3 -","- C13 H13 Cl F N3 -","- C52 H52 Cl4 F4 N12 -","4","1","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.08","0.0617","","","0.1506","0.1631","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017694","7.0088","0.0008","11.7258","0.0014","21.843","0.002","96.321","0.009","92.066","0.009","107.247","0.009","1699.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-{1-[(4-Fluoroanilino)methylidene]ethyl}pyridinium chloride methanol disolvate","","- C15 H21 Cl F N3 O2 -","- C15 H21 Cl F N3 O2 -","- C60 H84 Cl4 F4 N12 O8 -","4","2","DN3144","Heilmann-Brohl, Julia; Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Structural comparison of three <i>N</i>-(4-halogenophenyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides","Acta Crystallographica Section C","2010","66","7","o364","o368","10.1107/S0108270110019827","","","0.71073","MoKα","","0.0572","0.0298","","","0.056","0.0584","","","","","","0.851","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017695","12.614","0.0013","15.1085","0.0014","12.6704","0.0017","90","","107.259","0.01","90","","2306","0.5","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(salen)chromium(V)-(μ-nitrido)-chloro(COD)rhodium(I)","chlorido-2κ<i>Cl</i>-[2(η^4^)-1,5-cyclooctadiene]{2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}-μ-nitrido- 1:2κ^2^<i>N</i>:<i>N</i>-chromium(V)rhodium(I)","","- C24 H26 Cl Cr N3 O2 Rh -","- C24 H26 Cl Cr N3 O2 Rh -","- C96 H104 Cl4 Cr4 N12 O8 Rh4 -","4","1","EG3042","Vibenholt, Johan; Magnussen, Magnus; Anthon, Christian; Bendix, Jesper","Synthesis and molecular structure of Cr(salen)(μ-N)RhCl(COD): the first example of a heterobimetallic nitride-bridged complex containing chromium","Acta Crystallographica Section C","2010","66","7","m177","m179","10.1107/S0108270110018238","","","0.71073","MoKα","","0.0458","0.0294","","","0.0607","0.0667","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017696","9.1393","0.0014","5.2461","0.0008","19.204","0.003","90","","91.807","0.011","90","","920.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","POPOP","5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C48 H32 N4 O4 -","2","0.5","EG3047","Schindler, Diana; Felsmann, Marika; Weber, Edwin","Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)","Acta Crystallographica Section C","2010","66","7","o361","o363","10.1107/S0108270110022092","","","0.71073","MoKα","","0.0523","0.0367","","","0.0873","0.0935","","","","","","1.028","","","","has coordinates,has Fobs","192310","2020-10-21","18:00:00",""
"2017697","12.2424","0.0006","5.9115","0.0003","18.5046","0.0009","90","","97.977","0.003","90","","1326.24","0.11","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","POPOP . 2dioxane","5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole dioxane disolvate","","- C32 H32 N2 O6 -","- C32 H32 N2 O6 -","- C64 H64 N4 O12 -","2","0.5","EG3047","Schindler, Diana; Felsmann, Marika; Weber, Edwin","Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(<i>p</i>-phenylene)di-1,3-oxazole (POPOP)","Acta Crystallographica Section C","2010","66","7","o361","o363","10.1107/S0108270110022092","","","0.71073","MoKα","","0.0447","0.0302","","","0.069","0.075","","","","","","1.014","","","","has coordinates,has Fobs","192311","2020-10-21","18:00:00",""
"2017698","7.0743","0.0002","23.4468","0.0005","8.1134","0.0001","90","","107.063","0.001","90","","1286.53","0.05","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetoguanaminium hydrogen phthalate","2,4-diamino-6-methyl-1,3,5-triazinium hydrogen phthalate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.0484","0.0439","","","0.1233","0.1268","","","","","","1.124","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017699","7.1921","0.0003","8.2359","0.0003","9.4775","0.0004","98.287","0.002","104.656","0.002","91.032","0.003","536.58","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","acetoguanaminium hydrogen maleate","2,4-diamino-6-methyl-1,3,5-triazin-1-ium hydrogen maleate","","- C8 H11 N5 O4 -","- C8 H11 N5 O4 -","- C16 H22 N10 O8 -","2","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.075","0.0496","","","0.1384","0.1682","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017700","7.0397","0.0016","24.68","0.005","7.5047","0.0019","90","","94.462","0.007","90","","1299.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","acetoguanaminium 3-hydroxypicolinate monohydrate","2,4-diamino-6-methyl-1,3,5-triazinium 3-hydroxypicolinate monohydrate","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","FA3215","Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.","Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate","Acta Crystallographica Section C","2010","66","7","o324","o328","10.1107/S0108270110014150","","","0.71073","MoKα","","0.084","0.0512","","","0.1354","0.1539","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017701","6.443","0.001","6.883","0.001","9.301","0.001","90","","98.8","0.2","90","","407.6","0.2","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","Ammonium Tungstate Tellurite","Diammonium [oxtaoxidoditellurato(IV)]tungstate","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","FA3227","Grzechnik, A.; Halasyamani, P. S.; Kim, J.-H.; Friese, K.","(NH~4~)~2~WTe~2~O~8~ at 5.09GPa: a single-crystal study using synchrotron radiation","Acta Crystallographica Section C","2010","66","7","i79","i81","10.1107/S0108270110022869","","","0.3978","synchrotron","","0.1117","0.1117","","","0.0948","0.0948","","","","","","2.27","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017702","6.171","0.0003","7.4134","0.0003","18.2438","0.0006","91.754","0.003","91.308","0.003","108.135","0.004","792.33","0.06","200","2","200","2","","","","","","","","4","P 1","P 1","1","4-(phenyldiazenyl)anilinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","4-(phenyldiazenyl)anilinium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C32 H34 N6 O12 -","2","2","FG3168","Smith, Graham; Wermuth, Urs D.; Young, David J.","Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2010","66","7","o345","o348","10.1107/S0108270110020597","","","0.71073","MoKα","","0.0597","0.0495","","","0.1136","0.1178","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017703","6.8689","0.0004","20.3896","0.0012","18.333","0.0011","90","","99.242","0.002","90","","2534.3","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane- κ^2^<i>N</i>^1^:<i>N</i>^1^']cadmium(II)] dithiocyanate dihydrate],","","- C50 H72 Cd N14 O4 S2 -","- C50 H72 Cd N14 O4 S2 -","- C100 H144 Cd2 N28 O8 S4 -","2","0.5","FG3170","Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform","Acta Crystallographica Section C","2010","66","7","m180","m183","10.1107/S0108270110021050","","","0.71073","MoKα","","0.0638","0.0417","","","0.0913","0.0977","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017704","6.9147","0.0005","20.4704","0.0014","18.419","0.0015","90","","100.168","0.002","90","","2566.2","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[diaquabis[μ~2~-3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane- κ^2^<i>N</i>^1^:<i>N</i>^1^']cadmium(II)] diselenocyanate dihydrate],","","- C50 H72 Cd N14 O4 Se2 -","- C50 H72 Cd N14 O4 Se2 -","- C100 H144 Cd2 N28 O8 Se4 -","2","0.5","FG3170","Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform","Acta Crystallographica Section C","2010","66","7","m180","m183","10.1107/S0108270110021050","","","0.71073","MoKα","","0.0944","0.0532","","","0.1186","0.1283","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017705","17.4052","0.0007","16.4768","0.0007","16.7408","0.0007","90","","90","","90","","4801","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Magic Blue","tris(4-bromophenyl)aminium hexachloridoantimonate","","- C18 H12 Br3 Cl6 N Sb -","- C18 H12 Br3 Cl6 N Sb -","- C144 H96 Br24 Cl48 N8 Sb8 -","8","1","FN3059","Quiroz-Guzman, Mauricio; Brown, Seth N.","Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization","Acta Crystallographica Section C","2010","66","7","m171","m173","10.1107/S0108270110019748","","","0.71073","MoKα","","0.072","0.0346","","","0.0632","0.0746","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017706","9.397","0.0006","16.0352","0.0015","11.3688","0.0007","90","","107.534","0.004","90","","1633.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tris(4-bromophenyl)amine","4-bromo-N,N-bis(4-bromophenyl)aniline","","- C18 H12 Br3 N -","- C18 H12 Br3 N -","- C72 H48 Br12 N4 -","4","1","FN3059","Quiroz-Guzman, Mauricio; Brown, Seth N.","Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization","Acta Crystallographica Section C","2010","66","7","m171","m173","10.1107/S0108270110019748","","","0.71073","MoKα","","0.0464","0.0304","","","0.0592","0.0637","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017707","11.6501","0.0003","16.4813","0.0004","7.5754","0.0002","90","","94.269","0.002","90","","1450.51","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methylanilinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","GD3342","Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang","Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate","Acta Crystallographica Section C","2010","66","7","o337","o340","10.1107/S0108270110020846","","","0.71073","Mokα","","0.084","0.0666","","","0.1644","0.172","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017708","4.3288","0.0018","23.372","0.01","15.292","0.006","90","","94.606","0.007","90","","1542.1","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,5-dichloroanilinium picrate","","- C12 H8 Cl2 N4 O7 -","- C12 H8 Cl2 N4 O7 -","- C48 H32 Cl8 N16 O28 -","4","1","GD3342","Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang","Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate","Acta Crystallographica Section C","2010","66","7","o337","o340","10.1107/S0108270110020846","","","0.71073","Mokα","","0.0467","0.0413","","","0.092","0.0935","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017709","7.3206","0.0007","11.2201","0.0007","19.4813","0.0012","90","","98.576","0.007","90","","1582.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triethylaminium hydrogen 4,5-dichlorophthalate","triethylaminium 2-carboxy-4,5-dichlorobenzoate","","- C14 H19 Cl2 N O4 -","- C14 H19 Cl2 N O4 -","- C56 H76 Cl8 N4 O16 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0376","0.0293","","","0.0749","0.0771","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017710","8.9588","0.0013","9.9042","0.0011","17.062","0.003","90","","104.58","0.014","90","","1465.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diethylaminium hydrogen 4,5-dichlorophthalate","diethylaminium 2-carboxy-4,5-dichlorobenzoate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0507","0.0373","","","0.1027","0.1062","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017711","8.1362","0.0006","9.3043","0.0011","15.406","0.001","78.678","0.007","85.846","0.006","67.777","0.009","1058.62","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","n-butylaminium 4,5-dichlorophthalate monohydrate","bis(butanaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C16 H28 Cl2 N2 O5 -","- C16 H28 Cl2 N2 O5 -","- C32 H56 Cl4 N4 O10 -","2","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0575","0.0455","","","0.1385","0.1445","","","","","","1.179","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017712","13.8481","0.001","10.5937","0.0008","14.6129","0.001","90","","99.903","0.007","90","","2111.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piperidinium 4,5-dichlorophthalate monohydrate","bis(piperidinium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C18 H28 Cl2 N2 O5 -","- C18 H28 Cl2 N2 O5 -","- C72 H112 Cl8 N8 O20 -","4","1","GD3347","Smith, Graham; Wermuth, Urs D.","Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, <i>n</i>-butylamine and piperidine","Acta Crystallographica Section C","2010","66","7","o374","o380","10.1107/S0108270110022328","","","0.71073","MoKα","","0.0591","0.0375","","","0.0954","0.1032","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017713","28.8774","0.0007","16.8275","0.0007","23.3186","0.0008","90","","120.068","0.002","90","","9806.5","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","25-Allyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate","","- C49 H62 Cl6 O4 -","- C49 H62 Cl6 O4 -","- C392 H496 Cl48 O32 -","8","1","GD3348","Gruber, Tobias; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","25-Allyloxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate","Acta Crystallographica Section C","2010","66","7","o334","o336","10.1107/S0108270110020858","","","0.71073","MoKα","","0.0657","0.0546","","","0.1612","0.168","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017714","5.94606","0.00019","15.8898","0.0005","21.3765","0.0006","90","","90","","90","","2019.69","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ezetimibe anhydrate","(3<i>R</i>,4<i>S</i>)-1-(4-fluorophenyl)-3-[(3<i>S</i>)-3-(4-fluorophenyl)- 3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","GT3018","Brüning, Jürgen; Alig, Edith; Schmidt, Martin U.","Ezetimibe anhydrate, determined from laboratory powder diffraction data","Acta Crystallographica Section C","2010","66","7","o341","o344","10.1107/S0108270110019190","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.161","","","","","","","has coordinates,has Fobs","203904","2020-10-21","18:00:00",""
"2017715","4.7855","0.0004","18.2887","0.0015","31.247","0.003","90","","90","","90","","2734.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-asparagine","","- C10 H21.188 N3 O5.094 -","- C10 H21.188 N3 O5.094 -","- C80 H169.504 N24 O40.752 -","8","2","JZ3182","Görbitz, Carl Henrik; Backe, Paul Hoff","<small>L</small>-Isoleucyl-<small>L</small>-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern","Acta Crystallographica Section C","2010","66","7","o349","o352","10.1107/S0108270110020895","","","0.71073","MoKα","","0.0725","0.0432","","","0.0928","0.1043","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017716","14.999","0.0008","5.4114","0.0003","10.8287","0.0006","90","","99.477","0.005","90","","866.92","0.08","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","Methyl-β-D-fructopyranoside","Methyl β-D-fructopyranoside","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","JZ3186","Allscher, Thorsten; Klüfers, Peter","Methyl β-<small>D</small>-fructopyranoside","Acta Crystallographica Section C","2010","66","7","o321","o323","10.1107/S0108270110019888","","","0.71073","MoKα","","0.0355","0.0337","","","0.0903","0.0915","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017717","12.5887","0.0006","8.5127","0.0004","20.3151","0.001","90","","103.853","0.001","90","","2113.72","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","caesium niobium selenide","Hexacaesium tetraniobium docosaselenide","","- Cs6 Nb4 Se22 -","- Cs6 Nb4 Se22 -","- Cs12 Nb8 Se44 -","2","0.5","KU3024","Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.","Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block","Acta Crystallographica Section C","2010","66","7","i75","i78","10.1107/S0108270110017038","","","0.71073","MoKα","","0.0618","0.0377","","","0.0794","0.0891","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017718","8.329","0.0004","13.2559","0.0007","55.974","0.003","90","","90","","90","","6180","0.6","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dodecapotassium hexaniobium pentatriacontaselenide","","- K12 Nb6 Se35.3 -","- K12 Nb6 Se35.3 -","- K48 Nb24 Se141.2 -","4","0.5","KU3024","Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.","Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block","Acta Crystallographica Section C","2010","66","7","i75","i78","10.1107/S0108270110017038","","","0.71073","MoKα","","0.0392","0.0314","","","0.0607","0.063","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017719","10.3927","0.0004","10.3927","0.0004","10.3927","0.0004","90","","90","","90","","1122.5","0.07","298","2","298","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","dipotassium tri-μ-arsenato-scandium(III)tin(IV)","","- As3 K2 O12 Sc Sn -","- As3 K2 O12 Sc Sn -","- As12 K8 O48 Sc4 Sn4 -","4","0.333333","KU3025","Harrison, William T. A.","K~2~ScSn(AsO~4~)~3~: an arsenate-containing langbeinite","Acta Crystallographica Section C","2010","66","7","i82","i84","10.1107/S0108270110021670","","","0.71073","MoKα","","0.0308","0.0272","","","0.0618","0.0629","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017720","7.5759","0.0002","8.4629","0.0002","13.1534","0.0002","103.082","0.002","94.473","0.002","104.401","0.002","787.52","0.03","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde","","- C17 H9 Br2 Cl N2 O -","- C17 H9 Br2 Cl N2 O -","- C34 H18 Br4 Cl2 N4 O2 -","2","1","KU3026","Abboud, Mohamed; Kadimi, Amal; Mamane, Victor; Aubert, Emmanuel","Conformational disorder in 4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde: role of π‒π and halogen interactions","Acta Crystallographica Section C","2010","66","7","o381","o384","10.1107/S0108270110024261","","","0.71069","MoKα","","0.0322","0.0277","","","0.071","0.0731","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017721","11.5729","0.0004","11.2385","0.0004","16.0232","0.0006","90","","94.329","0.001","90","","2078.06","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine hemihydrate","<i>cis</i>-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)pyrimidin- 2(1<i>H</i>)-one hemihydrate","","- C8 H12 N3 O3.5 S -","- C8 H12 N3 O3.5 S -","- C64 H96 N24 O28 S8 -","8","4","LN3144","Bhattacharya, Abir; Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Mukherjee, Alok K.","Lamivudine hemihydrate","Acta Crystallographica Section C","2010","66","7","o329","o333","10.1107/S0108270110020317","","","0.71073","MoKα","","0.0302","0.0282","","","0.0697","0.0709","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017722","7.1361","0.0005","7.407","0.0006","9.9686","0.0006","87.064","0.006","79.17","0.006","62.077","0.008","456.86","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Diamminesilver(I) bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1^')silver(I)","","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","1","0.5","SF3131","Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Diamminesilver(I) bis(2-amino-5-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)silver(I): a two-dimensional supramolecular sheet with a short intersheet distance containing a rare four-coordinate planar silver(I) centre","Acta Crystallographica Section C","2010","66","7","m174","m176","10.1107/S0108270110020585","","","0.71073","MoKα","","0.0211","0.0167","","","0.0473","0.0482","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017723","9.3621","0.0009","11.0618","0.001","11.5907","0.0011","90","","104.259","0.001","90","","1163.37","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium","","- C9 H17 Cl N2 Ti -","- C9 H17 Cl N2 Ti -","- C36 H68 Cl4 N8 Ti4 -","4","1","SF3132","Chapin, Brette M.; Hughs, Lauren D.; Golen, James A.; Rheingold, Arnold L.; Johnson, Adam R.","Chlorido(η^5^-cyclopentadienyl)bis(dimethylamido)titanium, [TiCl(η^5^-C~5~H~5~)(NMe~2~)~2~]","Acta Crystallographica Section C","2010","66","7","m191","m193","10.1107/S0108270110023176","","","0.71073","MoKα","","0.0279","0.0246","","","0.0612","0.0635","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017724","7.8148","0.0005","20.9889","0.0014","13.2464","0.0009","90","","91.21","0.002","90","","2172.2","0.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitro-N,N'-diethylbenzene-1,3-diamine","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C80 H120 N24 O16 -","8","2","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0686","0.0479","","","0.1273","0.139","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017725","10.988","0.008","4.865","0.004","21.22","0.018","90","","91.62","0.04","90","","1133.9","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-bis(ethylamino)-3-nitrobenzonitrile","2,6-bis(ethylamino)-3-nitrobenzonitrile","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0522","0.0452","","","0.1213","0.1313","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017726","15.514","0.005","8.573","0.004","15.012","0.005","90","","115.647","0.012","90","","1799.9","1.2","210","1","210","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di(4-ethylamino-3-nitrobenzene)sulfone","bis(4-ethylamino-3-nitrophenyl) sulfone","","- C16 H18 N4 O6 S -","- C16 H18 N4 O6 S -","- C64 H72 N16 O24 S4 -","4","1","SK3377","Payne, Thomas J.; Thurman, Chad R.; Yu, Hao; Sun, Qian; Mohanty, Dillip K.; Squattrito, Philip J.; Giolando, Mark-Robin; Brue, Christopher R.; Kirschbaum, Kristin","<i>N</i>,<i>N</i>'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone","Acta Crystallographica Section C","2010","66","7","o369","o373","10.1107/S0108270110023188","","","0.71073","MoKα","","0.0417","0.0339","","","0.0903","0.0951","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017727","16.437","0.0002","10.0498","0.0001","9.9473","0.0001","90","","91.485","0.001","90","","1642.63","0.03","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tricaesium triindium tetraphosphate","","- Cs3 In3 O16 P4 -","- Cs3 In3 O16 P4 -","- Cs12 In12 O64 P16 -","4","0.5","SQ3240","Zatovsky, Igor V.; Baumer, Vyacheslav N.; Strutynska, Nataliya Yu.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","A novel In~3~O~16~ fragment in Cs~3~In~3~(PO~4~)~4~","Acta Crystallographica Section C","2010","66","7","i71","i74","10.1107/S0108270110017695","","","0.71073","MoKα","","0.0402","0.0302","","","","0.0703","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017728","9.0113","0.0018","9.6052","0.0019","9.6248","0.0019","79.95","0.03","72.14","0.03","71.4","0.03","748.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Poly[diaquabis(μ~3~-2,2-dimethylmalonato)calcium(II)copper(II)]","Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]","","- C10 H16 Ca Cu O10 -","- C10 H16 Ca Cu O10 -","- C20 H32 Ca2 Cu2 O20 -","2","1","SQ3244","Guo, Ming-Lin; Wang, Feng-Qin","Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]","Acta Crystallographica Section C","2010","66","7","m184","m187","10.1107/S0108270110020433","","","0.71073","MoKα","","0.0716","0.0532","","","0.1399","0.152","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017729","9.134","0.003","9.862","0.003","27.81","0.008","90","","90","","90","","2505.1","1.3","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","18-Crown-6 propane-1,3-diaminium tetrachlorozincate(II) clathrate","propane-1,3-diaminium tetrachloridozincate(II)‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C15 H36 Cl4 N2 O6 Zn -","- C15 H36 Cl4 N2 O6 Zn -","- C60 H144 Cl16 N8 O24 Zn4 -","4","1","SQ3249","Zhao, Min Min; Qu, Zhi Rong","Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate","Acta Crystallographica Section C","2010","66","7","m188","m190","10.1107/S0108270110022201","","","0.71073","MoKα","","0.0328","0.029","","","0.0785","0.0952","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017730","13.3937","0.0004","7.0389","0.0002","9.971","0.0002","90","","107.555","0.002","90","","896.26","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]","","- C8 H10 O4 Sr -","- C8 H10 O4 Sr -","- C32 H40 O16 Sr4 -","4","1","SU3046","Robertson, Karen A.; Harrison, William T. A.","Poly[(μ~6~-<i>rac</i>-<i>cis</i>-cyclohexane-1,2-dicarboxylato)strontium]","Acta Crystallographica Section C","2010","66","7","m194","m196","10.1107/S0108270110021165","","","0.71073","MoKα","","0.0641","0.0566","","","0.1529","0.1617","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017731","3.6671","0.001","7.585","0.002","9.582","0.002","88.14","0.02","85.67","0.02","77.41","0.02","259.34","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","pyrazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)","","- C10 H6 F4 N2 O2 -","- C10 H6 F4 N2 O2 -","- C10 H6 F4 N2 O2 -","1","0.5","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0562","0.0482","","","0.1242","0.1321","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017732","7.2094","0.0005","7.429","0.0004","23.585","0.013","90","","90","","90","","1263.2","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","quinoxaline‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)","","- C14 H8 F4 N2 O2 -","- C14 H8 F4 N2 O2 -","- C56 H32 F16 N8 O8 -","4","1","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0332","0.0306","","","0.0817","0.0837","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017733","9.1482","0.0005","11.0393","0.0006","12.4185","0.0008","90","","102.585","0.005","90","","1224.01","0.13","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","phenazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (2/1)","","- C30 H18 F4 N4 O2 -","- C30 H18 F4 N4 O2 -","- C60 H36 F8 N8 O4 -","2","0.5","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0536","0.0413","","","0.1173","0.1251","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017734","10.5528","0.0002","10.9391","0.0002","13.1938","0.0002","102.367","0.001","98.134","0.001","105.059","0.001","1404.91","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[μ~3~-<i>cis</i>-<i>N</i>-(2-Aminoethyl)-<i>N</i>'-(2- carboxylatophenyl)oxamidato(3-)]bis(2,2'-diamino-4,4'- bithiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)","","- C46 H36 Cu4 N20 O22 S4 -","- C46 H36 Cu4 N20 O22 S4 -","- C46 H36 Cu4 N20 O22 S4 -","1","0.5","BG3125","Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Jiang, Fu-Bin","[μ~3~-<i>cis</i>-<i>N</i>-(2-Aminoethyl)-<i>N</i>'-(2-carboxylatophenyl)oxamidato(3{-})]bis(2,2'-diamino-4,4'-bi-1,3-thiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)","Acta Crystallographica Section C","2010","66","8","m218","m221","10.1107/S0108270110026491","","","0.71073","MoKα","","0.0581","0.0394","","","0.0946","0.1033","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017735","4.7936","0.0008","23.483","0.004","17.628","0.003","90","","91.824","0.002","90","","1983.3","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,15-bis[(4-butyl-2,3,5,6-tetrafluorophenyl)ethynyl]-10,20-dipropylporphyrin","","- C50 H42 F8 N4 -","- C50 H42 F8 N4 -","- C100 H84 F16 N8 -","2","0.5","BM3094","Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko","Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin","Acta Crystallographica Section C","2010","66","8","o406","o409","10.1107/S0108270110026405","","","0.71073","MoKα","","0.0808","0.0449","","","0.0942","0.1075","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017736","33.613","0.003","5.2845","0.0005","23.152","0.002","90","","111.252","0.001","90","","3832.8","0.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,15-bis[(4-butylphenyl)ethynyl]-10,20-dipropylporphyrin","","- C50 H50 N4 -","- C50 H50 N4 -","- C200 H200 N16 -","4","0.5","BM3094","Marushima, Yuta; Uchiumi, Yuri; Ogu, Kenichi; Hori, Akiko","Intermolecular π-stacking and F···F interactions of fluorine-substituted <i>meso</i>-alkynylporphyrin","Acta Crystallographica Section C","2010","66","8","o406","o409","10.1107/S0108270110026405","","","0.71073","MoKα","","0.0678","0.0437","","","0.0991","0.1097","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017737","30.803","0.008","9.796","0.003","19.157","0.005","90","","107.174","0.004","90","","5523","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.0647","0.0486","","","0.0988","0.1053","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017738","30.83","0.004","9.8047","0.0012","19.17","0.002","90","","107.211","0.0018","90","","5535.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.0739","0.0609","","","0.139","0.1467","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017739","30.83","0.004","9.8047","0.0012","19.17","0.002","90","","107.211","0.0018","90","","5535.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","","- C26 H45 B N6 Zn -","- C26 H45 B N6 Zn -","- C208 H360 B8 N48 Zn8 -","8","2","BM3097","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias","Ethyl[tris(3-<i>tert</i>-butyl-5-methylpyrazol-1-yl)hydridoborato]zinc(II)","Acta Crystallographica Section C","2010","66","8","m197","m200","10.1107/S0108270110024674","","","0.71073","MoKα","","0.085","0.0738","","","0.1817","0.1857","","","","","","1.252","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017740","7.94437","0.00007","11.71472","0.00017","16.82348","0.00012","90","","90","","90","","1565.7","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-2-[(2-Hydroxypropanoyl)oxy]propanoic acid","","- C6 H10 O5 -","- C6 H10 O5 -","- C48 H80 O40 -","8","2","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0283","0.0264","","","0.0747","0.0763","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017741","17.3594","0.0005","5.62712","0.00017","13.9888","0.0006","90","","123.861","0.001","90","","1134.71","0.07","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(<i>S</i>,<i>S</i>,<i>S</i>)-3-Hydroxybut-3-en-2-yl 2-[(2-hydroxypropanoyl)oxy]propanoate","","- C9 H14 O7 -","- C9 H14 O7 -","- C36 H56 O28 -","4","1","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0304","0.0278","","","0.067","0.0685","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017742","4.7106","0.0004","22.8634","0.0019","7.2804","0.0006","90","","98.154","0.003","90","","776.17","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(β-aminoethyl)glycine dihydrate","2-[(2-ammonioethyl)amino]acetate dihydrate","","- C4 H14 N2 O4 -","- C4 H14 N2 O4 -","- C16 H56 N8 O16 -","4","1","DN3147","Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders","Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt","Acta Crystallographica Section C","2010","66","8","o410","o413","10.1107/S0108270110026314","","","0.71073","MoKα","","0.0386","0.0293","","","0.083","0.0884","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017743","5.7129","0.0003","12.4269","0.0007","11.656","0.0007","90","","98.542","0.002","90","","818.32","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(β-aminoethyl)glycine hydroiodide","2-[(2-ammonioethyl)ammonio]acetate iodide","","- C4 H11 I N2 O2 -","- C4 H11 I N2 O2 -","- C16 H44 I4 N8 O8 -","4","1","DN3147","Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders","Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt","Acta Crystallographica Section C","2010","66","8","o410","o413","10.1107/S0108270110026314","","","0.71073","MoKα","","0.0156","0.0138","","","0.0313","0.0318","","","","","","0.898","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017744","24.254","0.002","6.7855","0.0006","20.2586","0.0016","90","","116.549","0.004","90","","2982.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]","","- C12 H18 O8 U -","- C12 H18 O8 U -","- C96 H144 O64 U8 -","8","1","EG3050","Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","A new adamantanecarboxylate coordination polymer: poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]","Acta Crystallographica Section C","2010","66","8","m207","m210","10.1107/S0108270110026065","","","0.71073","MoKα","","0.0495","0.0336","","","0.0678","0.0735","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017745","5.0872","0.0002","11.5569","0.0005","14.2784","0.0005","77.433","0.002","86.726","0.002","89.418","0.002","818.01","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","nicotinamide‒succinic acid (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","FG3180","Thompson, Laura J.; Voguri, Raja S.; Cowell, Adam; Male, Louise; Tremayne, Maryjane","The cocrystal nicotinamide‒succinic acid (2/1)","Acta Crystallographica Section C","2010","66","8","o421","o424","10.1107/S0108270110027319","","","0.71073","MoKα","","0.0803","0.0555","","","0.1162","0.132","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017746","6.3372","0.0004","22.4153","0.0014","6.8618","0.0004","90","","111.112","0.002","90","","909.3","0.1","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-1,3-thiazolium hydrogen maleate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C28 H32 N8 O16 S4 -","4","1","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0537","0.0412","","","","0.1169","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017747","20.7129","0.0005","7.1803","0.0002","37.4469","0.0009","90","","90","","90","","5569.3","0.2","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-1,3-thiazolium hydrogen fumarate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C168 H192 N48 O96 S24 -","24","3","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0679","0.0518","","","","0.1491","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017748","25.209","0.002","17.6946","0.0015","15.5541","0.0013","90","","90","","90","","6938.1","1","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di- μ~3~-oxido-dimanganese(III)disodium","","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C64 H112 Mn2 N4 Na2 O4 Si4 -","- C256 H448 Mn8 N16 Na8 O16 Si16 -","4","0.5","GA3151","Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.","Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium","Acta Crystallographica Section C","2010","66","8","m204","m206","10.1107/S010827011002442X","","","0.71073","MoKα","","0.0781","0.0672","","","0.149","0.155","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017749","16.139","0.005","10.145","0.005","17.453","0.005","90","","92.046","0.005","90","","2855.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Benzoyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8- tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonane","phenyl(<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl- 3-thia-7-azabicyclo[3.3.1]nonan-7-yl)methanone","","- C38 H33 N O S -","- C38 H33 N O S -","- C152 H132 N4 O4 S4 -","4","1","GD3335","Sakthivel, Chinniah; Jeyaraman, Ramasubbu","Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","8","o396","o400","10.1107/S0108270110023115","","","0.71073","MoKα","","0.0566","0.0382","","","0.0941","0.1031","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017750","16.8724","0.0007","9.4863","0.0003","19.2376","0.0008","90","","93.245","0.001","90","","3074.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8\ -tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonane","2-phenyl-1-(<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-\ tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonan-7-yl)ethanone","","- C39 H35 N O S -","- C39 H35 N O S -","- C156 H140 N4 O4 S4 -","4","1","GD3335","Sakthivel, Chinniah; Jeyaraman, Ramasubbu","Forced twin-chair conformation in 7-benzoyl- and 7-phenylacetyl-<i>r</i>-2,<i>c</i>-4,<i>t</i>-6,<i>t</i>-8-tetraphenyl-3-thia-7-azabicyclo[3.3.1]nonanes with 1,3-diaxial phenyl groups in the piperidine ring: single- and double-layered supramolecular sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","8","o396","o400","10.1107/S0108270110023115","","","0.71073","MoKα","","0.0642","0.0435","","","0.1119","0.1312","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017751","7.8078","0.0007","11.2328","0.001","23.639","0.002","90","","90","","90","","2073.2","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane","","- C18 H34 B N O2 Si -","- C18 H34 B N O2 Si -","- C72 H136 B4 N4 O8 Si4 -","4","1","GD3351","Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.","(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane: novel B—H···H—O hydrogen bonding","Acta Crystallographica Section C","2010","66","8","o418","o420","10.1107/S0108270110026879","","","0.71073","MoKα","","0.0565","0.0491","","","0.1262","0.1336","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017752","7.7897","0.0002","12.2577","0.0002","17.2316","0.0005","70.1447","0.001","89.341","0.001","75.3827","0.0016","1492.45","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[μ-5,15-bis(pyridin-1-ium-4-yl)-10,20-di-4- pyridylporphyrin]bis[aquatetranitratodysprosium(III)] benzene solvate","","- C40 H32 Dy2 N16 O26 -","- C40 H32 Dy2 N16 O26 -","- C40 H32 Dy2 N16 O26 -","1","0.5","GD3355","Lipstman, Sophia; Goldberg, Israel","Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate","Acta Crystallographica Section C","2010","66","8","m222","m226","10.1107/S0108270110026892","","","0.71073","MoKα","","0.0606","0.0415","","","0.079","0.0833","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017753","12.8961","0.0002","12.9222","0.0002","18.5978","0.0003","71.6843","0.0007","80.9684","0.0008","73.3707","0.0007","2811.52","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetrakis(pyridin-1-ium-4-yl)porphyrin pentaaquadinitratodysprosate(III) pentanitrate diethanol solvate dihydrate","","- C44 H56 Dy N15 O30 -","- C44 H56 Dy N15 O30 -","- C88 H112 Dy2 N30 O60 -","2","1","GD3355","Lipstman, Sophia; Goldberg, Israel","Coordination and hydrogen-bonding assemblies in hybrid reaction products between 5,10,15,20-tetra-4-pyridylporphyrin and dysprosium trinitrate hexahydrate","Acta Crystallographica Section C","2010","66","8","m222","m226","10.1107/S0108270110026892","","","0.71073","MoKα","","0.0404","0.0335","","","0.0784","0.0817","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017754","10.5167","0.0014","5.9729","0.0013","18.2602","0.001","90","","105.7","0.007","90","","1104.2","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrophenol‒4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide (2/1)","","- C22 H18 N4 O8 -","- C22 H18 N4 O8 -","- C44 H36 N8 O16 -","2","0.5","GG3235","Moreno-Fuquen, Rodolfo; Theodoro, Jahyr; Ellena, Javier; Montaño-A., Angela Marcela; Atencio, Reynaldo","3-Nitrophenol‒4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide (2/1): a DFT study and CSD analysis of DPNO molecular complexes","Acta Crystallographica Section C","2010","66","8","o425","o428","10.1107/S0108270110024601","","","0.71073","MoKα","","0.087","0.048","","","0.109","0.13","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017755","11.322","0.0015","12.9538","0.0016","17.659","0.002","71.165","0.012","84.364","0.011","71.257","0.012","2321.2","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","bi-TTF(pyridine-bi-ester)-TCNQ","bis{2-[(6,7-tetramethylene-3-methylsulfanyltetrathiafulvalen-2- yl)sulfanyl]ethyl} pyridine-2,6-dicarboxylate‒tetracyanoquinodimethane‒ dichloromethane (2/1/2)","","- C80 H74 Cl4 N6 O8 S24 -","- C80 H74 Cl4 N6 O8 S24 -","- C80 H74 Cl4 N6 O8 S24 -","1","0.5","GT3021","Kaboub, Lakhemici; Fabre, Jean-Marc; Vendier, Laure; Legros, Jean-Pierre","Donor‒acceptor complex of a new bis-TTF donor containing a pyridine diester spacer with TCNQ as the acceptor: a disappointing system","Acta Crystallographica Section C","2010","66","8","o429","o432","10.1107/S0108270110028155","","","0.71073","MoKα","","0.0677","0.0521","","","0.1414","0.1512","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017756","26.9702","0.0012","11.4912","0.0007","24.9646","0.0018","90","","90","","90","","7737","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Bis(adamantan-1-aminium) tetrachloridozincate(II)‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)","","- C32 H62 Cl4 N2 O7 Zn -","- C32 H62 Cl4 N2 O7 Zn -","- C256 H496 Cl32 N16 O56 Zn8 -","8","1","GZ3178","Zhao, Min Min; Qu, Zhi Rong","Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate","Acta Crystallographica Section C","2010","66","8","m215","m217","10.1107/S0108270110025795","","","0.71073","MoKα","","0.0771","0.0578","","","0.1257","0.1342","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017757","18.211","0.0005","23.6861","0.0004","5.8206","0.0001","90","","90","","90","","2510.7","0.09","100","","100","","","","","","","","","5","A m a 2","A 2 -2a","40","","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","","- C14 H16 Cu5 I6 P -","- C14 H16 Cu5 I6 P -","- C56 H64 Cu20 I24 P4 -","4","0.5","MX3031","Jalilian, Ehsan; Lidin, Sven","Poly[dimethyldiphenylphosphonium [di-μ~4~-iodido-tetra-μ~3~-iodido-pentacopper(I)]]","Acta Crystallographica Section C","2010","66","8","m227","m230","10.1107/S0108270110027149","","","0.71069","MoKα","","0.0688","0.0405","","","0.0622","0.0654","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017758","7.5314","0.0005","18.271","0.0012","8.4249","0.0006","90","","104.374","0.001","90","","1123.03","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cytosinium nicotinate hydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium nicotinate monohydrate","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","1","SF3134","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate","Acta Crystallographica Section C","2010","66","8","o414","o417","10.1107/S0108270110026430","","","0.71073","MoKα","","0.0401","0.0374","","","0.1031","0.1069","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017759","7.1852","0.0008","7.3627","0.0008","17.7387","0.0018","99.831","0.002","92.928","0.002","107.862","0.002","874.7","0.16","294","2","294","2","","","","","","","","4","P -1","-P 1","2","cytosinium isonicotinate cytosine dihydrate","4-amino-2-oxo-2,3-dihydropyrimidin-1-ium isonicotinate‒4-aminopyrimidin-2(1<i>H</i>)-one‒water (1/1/2)","","- C14 H19 N7 O6 -","- C14 H19 N7 O6 -","- C28 H38 N14 O12 -","2","1","SF3134","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonded networks in cytosinium nicotinate monohydrate and cytosinium isonicotinate cytosine dihydrate","Acta Crystallographica Section C","2010","66","8","o414","o417","10.1107/S0108270110026430","","","0.71073","MoKα","","0.0466","0.0409","","","0.1181","0.13","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017760","13.907","0.002","5.0357","0.0008","14.233","0.002","90","","108.946","0.004","90","","942.8","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile","","- C11 H9 F N2 O -","- C11 H9 F N2 O -","- C44 H36 F4 N8 O4 -","4","1","SK3374","Langer, Vratislav; Mach, Pavol; Smrčok, Ľubomír; Milata, Viktor; Plevová, Kristína","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile and 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies","Acta Crystallographica Section C","2010","66","8","o392","o395","10.1107/S0108270110023334","","","0.71073","MoKα","","0.0871","0.0474","","","0.1115","0.1281","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017761","6.3","0.0012","9.4753","0.0018","10.765","0.002","88.947","0.005","79.81","0.004","71.931","0.004","600.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C26 H24 F2 N2 O8 -","2","1","SK3374","Langer, Vratislav; Mach, Pavol; Smrčok, Ľubomír; Milata, Viktor; Plevová, Kristína","2-{[(3-Fluorophenyl)amino]methylidene}-3-oxobutanenitrile and 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies","Acta Crystallographica Section C","2010","66","8","o392","o395","10.1107/S0108270110023334","","","0.71073","MoKα","","0.1066","0.0498","","","0.1169","0.1473","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017762","7.9278","0.0008","15.2929","0.0018","22.41","0.004","90","","90.326","0.012","90","","2716.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SK3375","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","Acta Crystallographica Section C","2010","66","8","o385","o388","10.1107/S0108270110023152","","","0.71073","MoKα","","0.0778","0.0538","","","0.1405","0.1591","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017763","7.9278","0.0008","15.2929","0.0018","22.41","0.004","90","","90.326","0.012","90","","2716.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SK3375","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Pseudomerohedral twinning, pseudosymmetry and complex hydrogen-bonded sheets in 2-methoxy-4-(pyrrolo[1,2-<i>a</i>]quinoxalin-4-yl)phenol","Acta Crystallographica Section C","2010","66","8","o385","o388","10.1107/S0108270110023152","","","0.71073","MoKα","","0.0777","0.0528","","","0.1391","0.1592","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017764","8.382","0.002","10.777","0.003","12.745","0.004","73.18","0.03","85.13","0.04","76.43","0.03","1071.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9E)-9-benzylidene-3-methyl-2-(methylthio)-5-phenyl- 5,6,7,8,9,10-hexahydropyrimido[4,5-<i>b</i>]quinolin- 4(3<i>H</i>)-one","","- C26 H25 N3 O S -","- C26 H25 N3 O S -","- C52 H50 N6 O2 S2 -","2","1","SK3376","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(9<i>E</i>)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: polarized molecules within hydrogen-bonded bilayers","Acta Crystallographica Section C","2010","66","8","o389","o391","10.1107/S0108270110023139","","","0.71073","MoKα","","0.0816","0.0527","","","0.0945","0.1035","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017765","14.1052","0.0015","16.8934","0.0018","8.8967","0.001","90","","127.451","0.001","90","","1683","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)]","","- C18 H14 Cd N2 O7 -","- C18 H14 Cd N2 O7 -","- C72 H56 Cd4 N8 O28 -","4","0.5","SQ3245","Xu, Guohai; Xie, Yongrong","Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)], a threefold interpenetrating diamond net","Acta Crystallographica Section C","2010","66","8","m201","m203","10.1107/S0108270110023553","","","0.71073","MoKα","","0.0274","0.027","","","0.073","0.0734","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017766","14.617","0.003","33.273","0.007","13.897","0.003","90","","109.39","0.03","90","","6375","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,2'-bipyridine)-1κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'- {μ~4~-<i>N</i>,<i>N</i>'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4-)- 1:2:3:4κ<i>O</i>:κ^3^<i>N</i>,<i>N</i>',<i>O</i>':κ^3^<i>O</i>'', <i>N</i>'',<i>N</i>''':κ<i>O</i>'''}tetracopper(II) tetrakis(perchlorate)","","- C52 H54 Cl4 Cu4 N12 O20 -","- C52 H54 Cl4 Cu4 N12 O20 -","- C208 H216 Cl16 Cu16 N48 O80 -","4","1","SQ3251","Li, Yan-Tuan; Li, Xiao-Wen; Wu, Zhi-Yong; Zhang, Xiao-Wei; Yan, Cui-Wei","Tetrakis(2,2'-bipyridine)-1κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-{μ~4~-<i>N</i>,<i>N</i>'-bis[3-(2-oxidoethylamino)propyl]oxamidato(4{-})-1:2:3:4κ<i>O</i>:κ^3^<i>N</i>,<i>N</i>',<i>O</i>':κ^3^<i>O</i>'',<i>N</i>'',<i>N</i>''':κ<i>O</i>'''}tetracopper(II) tetrakis(perchlorate)","Acta Crystallographica Section C","2010","66","8","m211","m214","10.1107/S0108270110026089","","","0.71073","MoKα","","0.1277","0.0675","","","0.1597","0.1879","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017767","8.863","0.004","16.408","0.007","18.806","0.008","90","","90","","90","","2735","2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-methoxyanilinium tetrafluoroborate‒2,5,8,15,18,21- hexaoxatricyclo[20.4.0.0^9,14^]hexacosa-1(26),9,11,13,22,24-hexaene (1/1)","","- C27 H34 B F4 N O7 -","- C27 H34 B F4 N O7 -","- C108 H136 B4 F16 N4 O28 -","4","1","SQ3254","Fu, Xue-qun; Yang, Yong-le; Ye, Qiong","4-Methoxyanilinium tetrafluoroborate‒dibenzo-18-crown-6 (1/1)","Acta Crystallographica Section C","2010","66","8","o433","o435","10.1107/S0108270110027630","","","0.71073","MoKα","","0.0565","0.0502","","","0.1025","0.105","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017768","15.3159","0.0003","8.74371","0.00012","6.2177","0.00009","81.1652","0.001","93.4835","0.001","96.4282","0.0008","816.8","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","meso-hexamethyl propylene amine oxime (meso-HMPAO)","<i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime","","- C13 H28 N4 O2 -","- C13 H28 N4 O2 -","- C26 H56 N8 O4 -","2","1","SQ3256","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases","Acta Crystallographica, Section C","2010","66","9","o479","o483","10.1107/S0108270110032014","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.19","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017769","16.4453","0.0004","15.9587","0.0003","6.20073","0.00011","90","","94.7097","0.0013","90","","1621.86","0.06","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","meso-hexamethyl propylene amine oxime (meso-HMPAO)","<i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime","","- C13 H28 N4 O2 -","- C13 H28 N4 O2 -","- C52 H112 N16 O8 -","4","1","SQ3256","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases","Acta Crystallographica, Section C","2010","66","9","o479","o483","10.1107/S0108270110032014","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.16","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017771","8.0594","0.0005","8.8122","0.0005","15.9964","0.0009","90","","99.4514","0.0007","90","","1120.66","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren- 3-yl)acetamide","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","FA3231","Rukiah, Mwaffak; Assaad, Thaer","\ 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren-3-yl)\ acetamide by X-ray powder diffraction","Acta Crystallographica, Section C","2010","66","9","o475","o478","10.1107/S0108270110031124","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.27","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2017785","10.5696","0.001","27.589","0.002","12.609","0.0014","90","","109.039","0.002","90","","3475.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis[μ-3,5-bis(2-pyridyl)-1,2,4-triazolido]bis[3,5-bis(2-pyridyl)- 1,2,4-triazolido]dicopper(I)dicopper(II) dihydrate","","- C72 H52 Cu4 N30 O2 -","- C72 H52 Cu4 N30 O2 -","- C144 H104 Cu8 N60 O4 -","2","0.5","BG3127","Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","A mixed-valence chair-like tetranuclear copper(I,II) cluster with three linking modes of the 3,5-bis(2-pyridyl)-1,2,4-triazole ligand","Acta Crystallographica Section C","2010","66","9","m249","m252","10.1107/S0108270110030313","","","0.71073","MoKα","","0.0758","0.0544","","","0.1515","0.1699","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017786","12.6991","0.0003","14.0263","0.0003","15.03","0.0003","90","","107.103","0.002","90","","2558.77","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>- (2-carboxylatophenyl)-<i>N</i>'-[3- (dimethylamino)propyl]oxamidato(3-)}dicopper(II)] nitrate 0.6-hydrate]","","- C20 H23.2 Cu2 N8 O7.6 S2 -","- C20 H23.2 Cu2 N8 O7.6 S2 -","- C80 H92.8 Cu8 N32 O30.4 S8 -","4","1","BG3129","Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Li, Xiao-Wen; Yan, Cui-Wei","<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}dicopper(II)] nitrate 0.6-hydrate]","Acta Crystallographica Section C","2010","66","11","m323","m326","10.1107/S0108270110034396","","","0.71073","MoKα","","0.0498","0.0343","","","0.0867","0.0938","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017787","25.072","0.006","46.996","0.008","3.7592","0.0007","90","","90","","90","","4429.4","1.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C160 H144 N80 O16 -","16","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0856","0.0629","","","0.1449","0.1576","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017788","10.573","0.0011","7.0457","0.0005","21.261","0.002","90","","114.503","0.008","90","","1441.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","","- C16 H12 N6 O -","- C16 H12 N6 O -","- C64 H48 N24 O4 -","4","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0433","0.0365","","","0.0906","0.0954","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017789","7.7315","0.0004","15.8398","0.0009","12.0572","0.0008","90","","94.95","0.005","90","","1471.08","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","","- C16 H12 N6 O -","- C16 H12 N6 O -","- C64 H48 N24 O4 -","4","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0509","0.0385","","","0.092","0.0969","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017790","12.1365","0.0006","11.218","0.0007","10.3559","0.0005","90","","108.57","0.003","90","","1336.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid dimethylformamide monosolvate","","- C10 H14 N6 O3 S -","- C10 H14 N6 O3 S -","- C40 H56 N24 O12 S4 -","4","1","DN3145","Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K","Acta Crystallographica Section C","2010","66","10","o503","o507","10.1107/S0108270110034128","","","0.71073","MoKα","","0.0737","0.0539","","","0.1084","0.1196","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017791","4.0134","0.0003","20.3287","0.0012","12.6897","0.0007","90","","107.039","0.006","90","","989.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid monohydrate","","- C7 H9 N5 O3 S -","- C7 H9 N5 O3 S -","- C28 H36 N20 O12 S4 -","4","1","DN3145","Canfora, Loredana; Pillet, Sebastien; Espinosa, Enrique; Ruisi, Giuseppe","7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293K","Acta Crystallographica Section C","2010","66","10","o503","o507","10.1107/S0108270110034128","","","0.71073","MoKα","","0.0463","0.0369","","","0.1046","0.1075","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017792","6.9331","0.0015","7.1079","0.0016","7.5564","0.0017","99.089","0.004","98.029","0.003","101.331","0.004","354.89","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-9<i>H</i>-purine monohydrate","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C10 H16 N12 O2 -","2","1","DN3149","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes","Acta Crystallographica Section C","2010","66","11","o547","o552","10.1107/S0108270110035985","","","0.71073","MoKα","","0.0559","0.047","","","0.1177","0.1268","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017793","8.928","0.002","31.393","0.008","10.091","0.003","90","","90.833","0.005","90","","2828","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate","","- C19 H34 N12 O11 -","- C19 H34 N12 O11 -","- C76 H136 N48 O44 -","4","1","DN3149","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","2,6-Diamino-9<i>H</i>-purine monohydrate and bis(2,6-diamino-9<i>H</i>-purin-1-ium) 2-(2-carboxylatophenyl)acetate heptahydrate: two simple structures with very complex hydrogen-bonding schemes","Acta Crystallographica Section C","2010","66","11","o547","o552","10.1107/S0108270110035985","","","0.71073","MoKα","","0.1215","0.0594","","","0.123","0.1399","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017794","5.1249","0.0002","13.7748","0.0004","21.9297","0.0006","90","","90","","90","","1548.12","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Deoxy-3-fluoro-D-glucose","3-deoxy-3-fluoro-β-D-glucopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C48 H88 F8 O40 -","8","2","DN3151","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Co-crystals of 3-deoxy-3-fluoro-α-<small>D</small>-glucopyranose and 3-deoxy-3-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","11","o557","o560","10.1107/S0108270110040096","","","1.54178","CuKα","","0.0284","0.0272","","","0.069","0.0699","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017795","5.2585","0.0007","6.0483","0.0005","42.133","0.004","90","","90","","90","","1340","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","","- C12 H8 N2 O6 S2 -","- C12 H8 N2 O6 S2 -","- C48 H32 N8 O24 S8 -","4","1","EG3053","Brito, Iván; Albanez, Joselyn; Bolte, Michael; Cárdenas, Alejandro","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","Acta Crystallographica Section C","2010","66","9","o466","o468","10.1107/S0108270110027678","","","0.71073","MoKα","","0.0875","0.0635","","","0.1478","0.1574","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017796","23.406","0.005","18.97","0.004","27.592","0.006","90","","94.73","0.004","90","","12209","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dodeca-μ~2~-benzoato-tetrabenzoatotetra-μ~4~-oxido-octachromium(III) acetonitrile tetrasolvate dihydrate","","- C120 H92 Cr8 N4 O38 -","- C120 H92 Cr8 N4 O38 -","- C480 H368 Cr32 N16 O152 -","4","0.5","EG3055","Fielden, John; Ellern, Arkady; Kögerler, Paul","[Cr~8~(PhCO~2~)~16~O~4~]·4CH~3~CN·2H~2~O: structural origin of magnetic anisotropy in a molecular spin cluster","Acta Crystallographica Section C","2010","66","9","m253","m256","10.1107/S0108270110032683","","","0.71073","MoKα","","0.0932","0.0496","","","0.1219","0.1468","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017797","10.4995","0.0004","15.4913","0.0005","9.8227","0.0003","90","","101.117","0.003","90","","1567.69","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(5a<i>R</i>*,11b<i>R</i>*)-9-methoxy-3,8,11b-trimethyl- 5,6,7,11b-tetrahydro-1<i>H</i>-pentaleno[1,6a-<i>a</i>]naphthalen- 4(2<i>H</i>)-one","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","EG3057","Kennedy, Alan R.; Kerr, William J.; Paterson, Laura C.; Sutherland, Andrew","A tetrahydropentaleno[1,6a-<i>a</i>]naphthalen-4(2<i>H</i>)-one of defined relative stereochemistry for use towards Agariblazeispirol C","Acta Crystallographica Section C","2010","66","9","o473","o474","10.1107/S0108270110031781","","","0.71073","MoKα","","0.0865","0.0467","","","0.091","0.1","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017798","17.0125","0.0002","11.047","0.0002","17.2731","0.0003","90","","110.385","0.001","90","","3042.95","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dmh101","Bis(μ~2~-3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)- bis[(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)]‒urea‒acetone (1/6/2)","","- C52 H80 Cu2 N12 O16 -","- C52 H80 Cu2 N12 O16 -","- C104 H160 Cu4 N24 O32 -","2","0.5","EG3059","Ho, Douglas M.","A urea adduct of bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2010","66","10","m294","m299","10.1107/S0108270110035602","","","0.71073","MoKα","","0.0943","0.0529","","","0.1238","0.1465","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017799","16.8182","0.0009","16.8182","0.0009","7.524","0.0004","90","","90","","90","","2128.2","0.2","294","2","294","2","","","","","","","","4","I 4","I 4","79","","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1- carboxylato)]","","- C48 H60 O16 Th -","- C48 H60 O16 Th -","- C96 H120 O32 Th2 -","2","0.25","EG3060","Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V.","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding","Acta Crystallographica Section C","2010","66","10","m276","m279","10.1107/S0108270110034785","","","0.71073","MoKα","","0.0191","0.0186","","","0.0356","0.0356","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017800","9.504","0.0019","9.888","0.002","11.713","0.002","80.19","0.03","81.13","0.03","74.88","0.03","1040.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis(benzimidazol-2-yl)pyridine‒terephthalic acid‒water (2/1/4)","","- C23 H20 N5 O4 -","- C23 H20 N5 O4 -","- C46 H40 N10 O8 -","2","1","EM3031","Xiao, Hailian; Wang, Guixue; Jian, Fangfang","Supramolecular interactions in the 2,6-bis(benzimidazol-2-yl)pyridine‒terephthalic acid‒water (2/1/4) cocrystal","Acta Crystallographica Section C","2010","66","9","o446","o448","10.1107/S0108270110025552","","","0.71073","MoKα","","0.117","0.0531","","","0.1309","0.171","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017801","13.72031","0.00018","7.34436","0.0001","11.04962","0.00014","90","","106.12","0.0007","90","","1069.66","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Methyl-1'-aminoferrocene-1-carboxylate","Methyl 1'-aminoferrocene-1-carboxylate","","- C12 H13 Fe N O2 -","- C12 H13 Fe N O2 -","- C48 H52 Fe4 N4 O8 -","4","1","EM3033","Förster, Christoph; Siebler, Daniel; Heinze, Katja","Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate","Acta Crystallographica Section C","2010","66","9","m235","m237","10.1107/S0108270110025746","","","0.71073","MoKα","","0.0307","0.0267","","","0.0691","0.0706","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017802","12.7099","0.0008","11.2854","0.0007","9.4153","0.0006","90","","90","","90","","1350.5","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Zinc Ethylenediaminetetraacetate Monohydrate","poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","","- C10 H14 N2 O9 Zn2 -","- C10 H14 N2 O9 Zn2 -","- C40 H56 N8 O36 Zn8 -","4","1","EM3034","Gelabert, Maria C.; Hart, Jennifer; Emge, Thomas J.","Hydrothermal synthesis and extended structure of poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","Acta Crystallographica Section C","2010","66","11","m327","m329","10.1107/S0108270110037625","","","0.71073","MoKα","","0.0268","0.0249","","","0.0549","0.0556","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017803","6.9061","0.0008","8.3585","0.0012","11.7666","0.0016","75.066","0.001","80.565","0.002","76.003","0.001","633.04","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate","","- C18 H24 Cl2 N6 O6 Zn2 -","- C18 H24 Cl2 N6 O6 Zn2 -","- C18 H24 Cl2 N6 O6 Zn2 -","1","0.5","FA3235","Wang, Jing-lin; Liu, Bin; Yang, Bin-sheng","Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic‒aromatic π‒π stacking and N—H···Cl—Zn hydrogen bonding","Acta Crystallographica Section C","2010","66","10","m280","m282","10.1107/S0108270110033561","","","0.71073","MoKα","","0.0781","0.0572","","","0.1363","0.1462","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017804","15.1215","0.0004","13.2206","0.0003","11.9113","0.0003","90","","107.527","0.003","90","","2270.7","0.1","130","2","130","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate","","- C21 H18 Ag F3 N6 O3 S -","- C21 H18 Ag F3 N6 O3 S -","- C84 H72 Ag4 F12 N24 O12 S4 -","4","2","FA3242","Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations","Acta Crystallographica Section C","2010","66","11","m355","m357","10.1107/S0108270110044070","","","0.71073","MoKα","","0.0358","0.0248","","","0.0488","0.0543","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017805","4.292","0.0001","23.2084","0.0007","11.4552","0.0003","90","","95.393","0.002","90","","1136.01","0.05","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,4-dihydroxybenzophenone monohydrate","(3,4-dihydroxyphenyl)(phenyl)methanone monohydrate","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","FG3171","Landre, I. M. R.; Souza, T. E.; Corrêa, R. S.; Martins, F. T.; Doriguetto, A. C.","A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones","Acta Crystallographica Section C","2010","66","9","o463","o465","10.1107/S0108270110028544","","","0.71073","MoKα","","0.0769","0.0501","","","0.1357","0.1577","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017806","25.942","0.004","9.4027","0.0015","14.667","0.002","90","","105.842","0.015","90","","3441.8","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C160 H136 Cl16 N8 O8 -","8","1","FG3177","Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej","Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","Acta Crystallographica Section C","2010","66","10","o493","o495","10.1107/S0108270110034827","","","0.71073","MoKα","","0.0699","0.0361","","","0.0872","0.0944","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017807","26.462","0.003","9.4974","0.0015","14.813","0.002","90","","105.793","0.015","90","","3582.3","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","","- C20 H17 Br2 N O -","- C20 H17 Br2 N O -","- C160 H136 Br16 N8 O8 -","8","1","FG3177","Manszewski, Tomasz; Prukała, Dorota; Prukała, Wiesław; Kubicki, Maciej","Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(<i>E</i>)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide","Acta Crystallographica Section C","2010","66","10","o493","o495","10.1107/S0108270110034827","","","0.71073","MoKα","","0.0631","0.0318","","","0.071","0.083","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017808","9.3243","0.0012","11.0261","0.0014","19.675","0.003","90","","98.872","0.002","90","","1998.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-biphenyl-3,3',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(imidazol- 1-ylmethyl)benzene]dicobalt(II)]","","- C22 H17 Co N4 O4 -","- C22 H17 Co N4 O4 -","- C88 H68 Co4 N16 O16 -","4","1","FG3189","Wang, Zi-Liang; Li, Ming-Xue","Poly[(μ~4~-biphenyl-3,3',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]dicobalt(II)]","Acta Crystallographica Section C","2010","66","10","m311","m313","10.1107/S0108270110038503","","","0.71073","MoKα","","0.0737","0.0495","","","0.092","0.1011","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017809","4.812","0.003","15.505","0.008","18.958","0.01","90","","90","","90","","1414.5","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-His-L-Ser 3.7-hydrate","L-Histidyl-L-serine 3.7-hydrate","","- C9 H21.4 N4 O7.7 -","- C9 H18 N4 O7.7 -","- C36 H72 N16 O30.8 -","4","1","FG3190","Görbitz, Carl Henrik","<small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide","Acta Crystallographica Section C","2010","66","11","o531","o534","10.1107/S0108270110038254","","","0.71073","MoKα","","0.0905","0.0479","","","0.1073","0.1313","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017810","7.008","0.0014","18.717","0.004","24.825","0.005","90","","90","","90","","3256.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-D-ribitol] tetrakis(hydrochloride) monohydrate","","- C24 H40 Cl4 N10 O5 S2 -","- C24 H40 Cl4 N10 O5 S2 -","- C96 H160 Cl16 N40 O20 S8 -","4","1","FG3191","Gainsford, Graeme J.; Evans, Gary B.; Johnston, Karen A.; Seth, Michael","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-<small>D</small>-ribitol] tetrakis(hydrochloride) monohydrate: structure, DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different molecular conformations","Acta Crystallographica Section C","2010","66","11","o527","o530","10.1107/S0108270110037121","","","0.92014","synchrotron","","0.0269","0.0265","","","0.0652","0.0656","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017811","17.006","0.0004","7.957","0.0002","31.76","0.0005","90","","90","","90","","4297.66","0.16","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","","- C40 H30 Fe N20 O2 S2 -","- C40 H30 Fe N20 O2 S2 -","- C160 H120 Fe4 N80 O8 S8 -","4","1","FG3192","Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil-Azzeddine; Setifi, Fatima","A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","Acta Crystallographica Section C","2010","66","10","m286","m289","10.1107/S010827011003578X","","","0.71073","MoKα","","0.0787","0.0383","","","0.0811","0.1033","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017812","22.2716","0.0001","12.6944","0.0001","23.6689","0.0002","90","","109.749","0.0004","90","","6298.19","0.08","160","1","160","1","","","","","","","","7","P 1 21 1","P 2yb","4","","(<i>P</i>)-chloridobis[(<i>S</i>)-(+)-5-(3,5-dioxa-4- phosphacyclohepta[2,1-<i>a</i>;3,4-<i>a</i>']dinaphthalen-4-yl)- dibenz[<i>b</i>,<i>f</i>]azepine]iridium(I)‒benzene‒pentane (1/1/1)","","- C79 H62 Cl Ir N2 O4 P2 -","- C79 H62 Cl Ir N2 O4 P2 -","- C316 H248 Cl4 Ir4 N8 O16 P8 -","4","2","FG3194","Linden, Anthony; Dorta, Romano","An optically pure P‒alkene-ligated Ir^I^ complex","Acta Crystallographica Section C","2010","66","10","m290","m293","10.1107/S0108270110036413","","","0.71073","MoKα","","0.0312","0.028","","","0.0659","0.0678","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017813","16.7558","0.0015","9.9188","0.0007","9.7665","0.0006","90","","110.14","0.008","90","","1523.9","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-(propane-1,3-diyl)bis(pyridine-2-carboxamide)","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","FG3197","Munro, Orde Q.; Wilson, Colin","Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives","Acta Crystallographica Section C","2010","66","11","o535","o539","10.1107/S0108270110039983","","","0.71073","MoKα","","0.049","0.0374","","","0.0967","0.1014","","","","","","0.984","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017814","5.3215","0.0002","7.2734","0.0004","9.7993","0.0005","83.509","0.004","77.256","0.004","81.005","0.004","364.18","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-(butane-1,4-diyl)bis(pyridine-2-carboxamide)","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","1","0.5","FG3197","Munro, Orde Q.; Wilson, Colin","Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives","Acta Crystallographica Section C","2010","66","11","o535","o539","10.1107/S0108270110039983","","","0.71073","MoKα","","0.0513","0.044","","","0.1313","0.136","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017815","9.6668","0.0003","11.7616","0.0004","9.5471","0.0003","90","","97.21","0.002","90","","1076.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(2-hydroxycyclohexyl)-<i>N</i>,<i>N</i>'- bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride","","- C18 H38 Cl2 N2 O4 -","- C18 H38 Cl2 N2 O4 -","- C36 H76 Cl4 N4 O8 -","2","0.5","FG3200","de Sousa, Alvaro S.; Hlam, Zanele; Fernandes, Manuel A.; Marques, Helder M.","<i>N</i>,<i>N</i>'-Bis(2-hydroxycyclohexyl)-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride","Acta Crystallographica Section C","2010","66","11","o553","o556","10.1107/S0108270110039995","","","0.71073","MoKα","","0.0445","0.0343","","","0.0812","0.0855","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017816","6.5323","0.0002","9.2055","0.0003","12.6007","0.0003","90","","90","","90","","757.72","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-deoxy-4-fluoro-β-D-glucopyranose","4-Deoxy-4-fluoro-β-D-<i>ribo</i>-hexopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","1","FN3060","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","10","o496","o498","10.1107/S0108270110034001","","","1.54178","CuKα","","0.0257","0.0254","","","0.0669","0.0671","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017817","11.5203","0.0014","5.3453","0.0006","11.154","0.0013","90","","120.919","0.002","90","","589.25","0.12","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Sodium Octofuorotantalate","trisodium octafluoridotantalate","","- F8 Na3 Ta -","- F8 Na3 Ta -","- F32 Na12 Ta4 -","4","0.5","FN3061","Langer, Vratislav; Smrčok, Ľubomír; Boča, Miroslav","Redetermination of Na~3~TaF~8~","Acta Crystallographica Section C","2010","66","9","i85","i86","10.1107/S0108270110030556","","","0.71073","MoKα","","0.0292","0.0242","","","0.0489","0.0514","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017818","7.3878","0.0002","22.2436","0.0009","8.655","0.0003","90","","93.716","0.002","90","","1419.3","0.08","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-bis(<i>trans</i>-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido)copper(II)","","- C20 H36 Cu N6 O8 S2 -","- C20 H36 Cu N6 O8 S2 -","- C40 H72 Cu2 N12 O16 S4 -","2","0.5","GA3156","Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil","Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates","Acta Crystallographica Section C","2010","66","10","m314","m318","10.1107/S0108270110037066","","","0.71073","MoKα","","0.0449","0.0394","","","0.1048","0.1077","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017819","6.7489","0.0008","8.8871","0.0011","13.5562","0.0015","73.476","0.009","80.522","0.009","77.176","0.009","755.56","0.16","296","","296","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-diaquabis(cyclohexane-1,2-diamine)zinc(II) 6-methyl-2,2,4- trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ide dihydrate","","- C20 H44 N6 O12 S2 Zn -","- C20 H44 N6 O12 S2 Zn -","- C20 H44 N6 O12 S2 Zn -","1","0.5","GA3156","Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil","Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates","Acta Crystallographica Section C","2010","66","10","m314","m318","10.1107/S0108270110037066","","","0.71073","MoKα","","0.0386","0.0335","","","0.0862","0.089","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017820","8.0705","0.001","8.589","0.001","25.177","0.003","83.096","0.01","82.87","0.011","73.675","0.011","1655.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","[aquachlorido(2,2':6',2''-terpyridyl-κ^3^N,N',N'')]copper(II) [chlorido(2,2':6',2''-terpyridyl-κ^3^N,N',N'')(dithionato-κO)]cuprate(II) dihydrate","","- C30 H28 Cl2 Cu2 N6 O9 S2 -","- C30 H28 Cl2 Cu2 N6 O9 S2 -","- C60 H56 Cl4 Cu4 N12 O18 S4 -","2","1","GA3158","Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen","Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2010","66","11","m343","m347","10.1107/S0108270110041090","","","0.71073","MoKα","","0.0459","0.0421","","","0.1128","0.1157","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017821","8.1961","0.0013","8.6029","0.0015","12.2566","0.0019","107.927","0.013","99.171","0.013","105.244","0.013","765.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","(μ-dithionato-1:2κ^2^O:O')-bis[2,2':6',2''-terpyridyl-κ^3^N,N',N'')\ copper(II)] monohydrate","","- C30 H24 Cl2 Cu2 N6 O7 S2 -","- C30 H24 Cl2 Cu2 N6 O7 S2 -","- C30 H24 Cl2 Cu2 N6 O7 S2 -","1","0.5","GA3158","Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen","Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2010","66","11","m343","m347","10.1107/S0108270110041090","","","0.71073","MoKα","","0.052","0.034","","","0.0754","0.0792","","","","","","0.888","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017822","12.0121","0.0015","31.327","0.004","8.8522","0.0011","90","","109.794","0.002","90","","3134.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[[triaqua{μ~4~-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-\ ylsulfanyl]acetato}{μ~2~-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-\ 2-ylsulfanyl]acetato}barium(II)] monohydrate]","","- C18 H24 Ba N6 O16 S6 -","- C18 H24 Ba N6 O16 S6 -","- C72 H96 Ba4 N24 O64 S24 -","4","1","GA3159","Lu, Qingxiang; Wang, Daqi; Wang, Suna","A novel (4,6)-connected double-layered Ba^II^ coordination polymer based on the flexible tricarboxylate ligand 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]triacetic acid","Acta Crystallographica Section C","2010","66","11","m351","m354","10.1107/S0108270110042496","","","0.71073","MoKα","","0.0539","0.0333","","","0.0475","0.0521","","","","","","0.841","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017823","6.89","0.0009","20.3139","0.0018","7.2562","0.001","90","","113.138","0.009","90","","933.9","0.2","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate","","- C7 H6 Cl N3 O4 -","- C7 H6 Cl N3 O4 -","- C28 H24 Cl4 N12 O16 -","4","1","GD3352","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","Acta Crystallographica Section C","2010","66","9","o449","o454","10.1107/S0108270110029008","","","0.71073","MoKα","","0.0357","0.0347","","","0.0908","0.0913","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017824","6.1743","0.0008","17.6159","0.0019","9.7682","0.0011","90","","101.869","0.009","90","","1039.7","0.2","291","0.3","291","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","","- C7 H6 Cl2 N2 O5 -","- C7 H6 Cl2 N2 O5 -","- C28 H24 Cl8 N8 O20 -","4","1","GD3352","Kruszynski, Rafal; Trzesowska-Kruszynska, Agata","Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate","Acta Crystallographica Section C","2010","66","9","o449","o454","10.1107/S0108270110029008","","","0.71073","MoKα","","0.0275","0.0268","","","0.0709","0.0713","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017825","14.185","0.003","4.628","0.0009","18.483","0.004","90","","96.91","0.03","90","","1204.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Monothioindigo, Ciba violet A","(<i>E</i>)-2-(3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene)-2,3- dihydro-1<i>H</i>-indol-3-one","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","GD3356","Brüning, Jürgen; Heintz, Desiree; Meents, Alke; Bolte, Michael; Schmidt, Martin U.","Monothioindigo, determined by microcrystal structure analysis","Acta Crystallographica Section C","2010","66","9","o459","o462","10.1107/S0108270110027800","","","0.7084","synchrotron","","0.0781","0.0585","","","0.1466","0.1596","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017826","25.763","0.003","8.5526","0.0009","24.496","0.003","90","","116.458","0.003","90","","4832.1","1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[(<i>E</i>)-4-Allyl-1-(2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>][(<i>Z</i>)-4-allyl-2-(2- hydroxybenzylidene)thiosemicarbazide-κ<i>S</i>]copper(II) monohydrate","","- C22 H26 Cu N6 O3 S2 -","- C22 H26 Cu N6 O3 S2 -","- C176 H208 Cu8 N48 O24 S16 -","8","2","GD3359","Bon, Vladimir V.","The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands","Acta Crystallographica Section C","2010","66","10","m300","m302","10.1107/S0108270110035754","","","0.71073","MoKα","","0.0507","0.0358","","","0.0683","0.0742","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017827","9.3235","0.001","12.1765","0.0014","15.5502","0.0015","109.796","0.005","92.666","0.006","108.745","0.005","1548.9","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')dihydroxidoytterbium(III) hemihydrate","","- C2 H6 O4.5 Yb -","- C2 H5.66667 O4.5 Yb -","- C24 H68 O54 Yb12 -","12","6","GD3360","Zehnder, Ralph A.; Renn, Robert A.; Fronczek, Frank R.","(Acetato-κ^2^<i>O</i>,<i>O</i>')dihydroxidoytterbium(III) hemihydrate","Acta Crystallographica Section C","2010","66","10","m307","m310","10.1107/S0108270110037595","","","0.71073","MoKα","","0.057","0.044","","","0.113","0.12","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017828","7.1545","0.0002","11.0251","0.0003","18.1342","0.0005","90","","98.349","0.003","90","","1415.25","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide- κN)copper(II) 1.5 hydrate","","- C20 H30 Cu2 N4 O17 -","- C20 H30 Cu2 N4 O17 -","- C40 H60 Cu4 N8 O34 -","2","0.5","GD3364","Perec, Mireille; Baggio, Ricardo","Aqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II) sesquihydrate","Acta Crystallographica Section C","2010","66","11","m339","m342","10.1107/S0108270110040989","","","0.71073","MoKα","","0.0472","0.0338","","","0.0856","0.0888","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017829","7.1469","0.0003","8.7025","0.0004","9.11","0.0004","90","","104.056","0.002","90","","549.64","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Amino-1-(2-deoxy-β-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-1,2,3- triazolo[4,5-<i>d</i>]pyrimidine","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C18 H24 N12 O6 -","2","1","GD3369","Jiang, Dawei; He, Yang; Budow, Simone; Kazimierczuk, Zygmunt; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Amino-1-(2-deoxy-β-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidine: an 8-azaadenine nucleoside with the nucleobase in a <i>syn</i> conformation","Acta Crystallographica Section C","2010","66","11","o561","o564","10.1107/S0108270110043088","","","0.71073","MoKα","","0.0279","0.0276","","","0.0751","0.0755","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017830","19.068","0.0008","16.017","0.0005","20.013","0.0008","90","","104.353","0.004","90","","5921.4","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[μ-hydrogen bis(<i>N</i>,<i>N</i>'-dioxidobutane-2,3-diimine)]tetrakis(1,10- phenanthroline)cobalt(III) trinitrate ethanol disolvate 1.87-hydrate","","- C60 H60.74 Co2 N15 O16.87 -","- C60 H60.744 Co2 N15 O16.864 -","- C240 H242.976 Co8 N60 O67.456 -","4","0.5","GG3237","Czapik, Agnieszka; Gdaniec, Maria","Two cobalt(III) mono-dimethylglyoximates isolated from one reaction","Acta Crystallographica Section C","2010","66","9","m257","m262","10.1107/S0108270110032968","","","0.71073","MoKα","","0.0876","0.0432","","","0.0868","0.0954","","","","","","0.886","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017831","13.7587","0.0001","11.9763","0.0001","18.2055","0.0002","90","","96.744","0.001","90","","2979.11","0.05","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>-hydroxy-<i>N</i>'-oxidobutane-2,3-diimine(1-)- κ^2^<i>N</i>,<i>N</i>']bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>)cobalt(III) dinitrate ethanol monosolvate 0.4-hydrate","","- C30 H29.8 Co N8 O9.4 -","- C30 H29.403 Co N8 O9.403 -","- C120 H117.612 Co4 N32 O37.612 -","4","1","GG3237","Czapik, Agnieszka; Gdaniec, Maria","Two cobalt(III) mono-dimethylglyoximates isolated from one reaction","Acta Crystallographica Section C","2010","66","9","m257","m262","10.1107/S0108270110032968","","","1.54184","CuKα","","0.0438","0.0381","","","0.1067","0.109","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017832","12.6799","0.0003","12.0326","0.0003","11.6791","0.0002","90","","94.5495","0.0017","90","","1776.29","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>cis</i>-diacetonitrile[(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane- κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate monohydrate","","- C10 H22 N6 O7 Pt -","- C10 H22 N6 O7 Pt -","- C40 H88 N24 O28 Pt4 -","4","2","GG3238","Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr","A new [(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange","Acta Crystallographica Section C","2010","66","10","m273","m275","10.1107/S0108270110033135","","","0.71073","MoKα","","0.0136","0.0121","","","0.0298","0.0301","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017833","23.0675","0.0003","23.0675","0.0003","21.716","0.0004","90","","90","","120","","10007.2","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.0557","0.0439","","","0.0998","0.1049","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017834","23.2368","0.0003","23.2368","0.0003","22.1155","0.0003","90","","90","","120","","10341.4","0.2","293","2","293","2","","","","","","","","4","P 65","P 65","170","","1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C29 H18 F3 N3 -","- C29 H18 F3 N3 -","- C522 H324 F54 N54 -","18","3","GG3239","Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna","1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K","Acta Crystallographica Section C","2010","66","9","o488","o492","10.1107/S010827011003297X","","","0.71073","MoKα","","0.1076","0.0598","","","0.1408","0.1624","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017835","8.8941","0.00011","8.8941","0.00011","9.68482","0.00013","90","","90","","120","","663.478","0.015","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O4 S Zn -","- C12 H48 N12 O8 S2 Zn2 -","2","0.333333","GG3243","Lutz, Martin","Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section C","2010","66","11","m330","m335","10.1107/S0108270110041466","","","0.71073","MoKα","","0.0157","0.0153","","","0.0374","0.0375","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017836","8.8749","0.0007","17.6358","0.0011","19.1559","0.0011","89.582","0.003","90.296","0.005","119.845","0.004","2600.5","0.3","110","2","110","2","","","","","","","","6","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O4 S -","- C48 H192 Cu8 N48 O32 S8 -","8","","GG3243","Lutz, Martin","Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section C","2010","66","11","m330","m335","10.1107/S0108270110041466","","","0.71073","MoKα","","0.0548","0.0325","","","0.0669","0.0757","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017837","8.974","0.004","7.1817","0.0008","22.718","0.009","90","","95.39","0.03","90","","1457.7","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","2","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0602","0.0459","","","0.0927","0.0986","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017838","10.776","0.0013","8.9612","0.0011","15.4241","0.0015","90","","96.799","0.01","90","","1479","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-7-Methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.1061","0.0588","","","0.1343","0.1667","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017839","7.2209","0.0005","13.14","0.002","17.559","0.002","90","","90","","90","","1666","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-7-trifluoromethyl-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H16 F3 N O2 -","- C21 H16 F3 N O2 -","- C84 H64 F12 N4 O8 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0511","0.0399","","","0.0809","0.0857","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017840","7.4394","0.0007","14.498","0.003","15.136","0.003","90","","90","","90","","1632.5","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-8-Chloro-9-methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C84 H72 Cl4 N4 O4 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0662","0.0455","","","0.0834","0.0904","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017841","8.4577","0.0005","9.8762","0.0006","17.7889","0.0011","88.392","0.003","85.871","0.003","83.69","0.003","1472.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(prop-2-enamide)copper(II) bis(perchlorate)","","- C18 H30 Cl2 Cu N6 O14 -","- C18 H30 Cl2 Cu N6 O14 -","- C36 H60 Cl4 Cu2 N12 O28 -","2","1","GT3024","Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy","Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","Acta Crystallographica Section C","2010","66","11","m358","m362","10.1107/S0108270110038813","","","0.71073","MoKα","","0.0418","0.0308","","","0.0761","0.0814","","","","","","1.008","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017842","9.2804","0.0006","15.9533","0.001","10.6876","0.0007","90","","111.642","0.003","90","","1470.79","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","","- C18 H30 Cl2 Mn N6 O14 -","- C18 H30 Cl2 Mn N6 O14 -","- C36 H60 Cl4 Mn2 N12 O28 -","2","0.5","GT3024","Kellett, Andrew; Rosair, Georgina; Devereux, Michael; McNamara, Mary; McCann, Malachy","Hexakis(prop-2-enamide)copper(II) bis(perchlorate) and hexakis(prop-2-enamide)manganese(II) bis(perchlorate)","Acta Crystallographica Section C","2010","66","11","m358","m362","10.1107/S0108270110038813","","","0.71073","MoKα","","0.0481","0.0342","","","0.0842","0.0896","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017843","18.8725","0.001","18.4777","0.0008","13.417","0.002","90","","134.307","0.007","90","","3348.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate","","- C18 H18 Cl N4 O2.5 -","- C18 H17 Cl N4 O2.5 -","- C144 H136 Cl8 N32 O20 -","8","1","GZ3179","Trilleras, Jorge; López, Luis G.; Cobo, Justo; Glidewell, Christopher","10-Benzyl-4-oxo-2,3,4,10-tetrahydropyrimido[4,5-<i>b</i>]quinolin-2-iminium chloride sesquihydrate: a polarized electronic structure within a complex hydrogen-bonded sheet structure","Acta Crystallographica Section C","2010","66","9","o469","o472","10.1107/S010827011003115X","","","0.71073","MoKα","","0.0745","0.0442","","","0.0939","0.1066","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017844","17.8278","0.001","26.2103","0.0016","12.2116","0.0007","90","","108.069","0.001","90","","5424.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethoxygossypolone","7,7'-dihydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl- 1,1',4,4'-tetraoxo-2,2'-binaphthalene-8,8'-dicarbaldehyde","","- C32 H30 O10 -","- C32 H30 O10 -","- C256 H240 O80 -","8","2","KU3027","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","6,6'-Dimethoxygossypolone","Acta Crystallographica Section C","2010","66","10","o517","o520","10.1107/S0108270110036541","","","0.71073","MoKα","","0.0573","0.0446","","","0.1184","0.1271","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017845","4.8745","0.0006","6.4545","0.0008","8.7361","0.001","87.93","0.009","74.396","0.009","83.062","0.009","262.79","0.06","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","Iron dialuminide","","- Al12.59 Fe6.41 -","- Al12.59 Fe6.41 -","- Al12.59 Fe6.41 -","1","0.5","KU3029","Chumak, Ihor; Richter, Klaus W.; Ehrenberg, Helmut","Redetermination of iron dialuminide, FeAl~2~","Acta Crystallographica Section C","2010","66","9","i87","i88","10.1107/S0108270110033202","","","0.71073","MoKα","","0.0951","0.0515","","","0.1178","0.1359","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017846","12.483","0.004","17.516","0.007","12.604","0.004","90","","90.22","0.02","90","","2755.9","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl2 Co N4 -","- C21.997 H39.991 Cl2 Co N4 -","- C87.988 H159.964 Cl8 Co4 N16 -","4","1","KU3032","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Intramolecular hydrogen bonding in dichloridobis(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) as a consequence of ligand steric bulk","Acta Crystallographica Section C","2010","66","11","m336","m338","10.1107/S0108270110040412","","","1.54178","CuKα","","0.0796","0.0675","","","0.194","0.2051","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017847","9.2636","0.0005","12.2989","0.0005","3.01309","0.00015","90","","90","","90","","343.29","0.03","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","pentamagnesium titanium(IV) tetraoxide bis(borate)","","- B2 Mg5 O10 Ti -","- B2 Mg5 O10 Ti -","- B4 Mg10 O20 Ti2 -","2","0.25","KU3033","Kawano, Tetsuya; Yamane, Hisanori","Mg~5~TiO~4~(BO~3~)~2~","Acta Crystallographica Section C","2010","66","10","i92","i94","10.1107/S0108270110036577","","","0.71073","MoKα","","0.0243","0.0203","","","0.065","0.0704","","","","","","1.287","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017848","8.464","0.0006","19.2334","0.0014","9.0134","0.0006","90","","94.68","0.001","90","","1462.41","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[aqua(μ~7~-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]","","- C10 H16 Cd2 N2 O10 -","- C10 H16 Cd2 N2 O10 -","- C40 H64 Cd8 N8 O40 -","4","1","LG3036","Yang, Er-Lei; Jiang, Yun-Liang; Wang, Yu-Ling; Liu, Qing-Yan","Poly[[aqua(μ~7~-ethylenediaminetetraacetato)dicadmium(II)] monohydrate]","Acta Crystallographica Section C","2010","66","9","m231","m234","10.1107/S0108270110029124","","","0.71073","MoKα","","0.0284","0.0263","","","0.0719","0.0731","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017849","11.6507","0.0004","8.76","0.0005","11.7169","0.0006","90","","113.572","0.004","90","","1096.05","0.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Λ(+)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Λ(+)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C20 H56 Cl4 Co2 N10 O26 -","2","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0495","0.0445","","","0.1301","0.1386","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017850","9.2898","0.0003","9.2898","0.0003","48.9696","0.0014","90","","90","","90","","4226.1","0.2","122","1","122","1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Δ(-)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Δ(-)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C80 H224 Cl16 Co8 N40 O104 -","8","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0309","0.0264","","","0.0608","0.0635","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017851","8.25","0.0003","6.0649","0.0002","20.5484","0.0008","90","","96.479","0.004","90","","1021.58","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","i>N-</i>(4-fluorophenyl)pyridine-2-carboxamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","LN3145","Wilson, Colin R.; Munro, Orde Q.","Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides","Acta Crystallographica Section C","2010","66","10","o513","o516","10.1107/S0108270110036218","","","0.71073","MoKα","","0.0596","0.0486","","","0.1333","0.145","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017852","6.149","0.0003","7.3055","0.0003","13.6613","0.0005","100.162","0.004","97.147","0.003","112.76","0.004","544.33","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","<i>N-</i>(4-nitrophenyl)pyridine-2-carboxamide","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","LN3145","Wilson, Colin R.; Munro, Orde Q.","Unconventional hydrogen bonding and π-stacking in two substituted pyridine carboxamides","Acta Crystallographica Section C","2010","66","10","o513","o516","10.1107/S0108270110036218","","","0.71073","MoKα","","0.0491","0.0413","","","0.1185","0.1237","","","","","","1.073","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017853","22.3152","0.0002","11.722","0.0001","22.2786","0.0001","90","","112.415","0.001","90","","5387.31","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tungsten chloride cluster","bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","","- C32 H72 Cl14 N2 W6 -","- C32 H72 Cl14 N2 W6 -","- C128 H288 Cl56 N8 W24 -","4","1","MX3029","Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.","A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","Acta Crystallographica Section C","2010","66","10","m303","m306","10.1107/S0108270110037017","","","0.71073","MoKα","","0.0551","0.0307","","","0.0487","0.0536","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017854","22.3689","0.0002","11.7596","0.0001","22.3108","0.0002","90","","112.32","0.001","90","","5429.13","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tungsten chloride cluster","bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","","- C32 H72 Cl14 N2 W6 -","- C32 H72 Cl14 N2 W6 -","- C128 H288 Cl56 N8 W24 -","4","1","MX3029","Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.","A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate","Acta Crystallographica Section C","2010","66","10","m303","m306","10.1107/S0108270110037017","","","0.71073","MoKα","","0.0562","0.0307","","","0.0586","0.0639","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017855","17.467","0.003","9.205","0.0016","18.183","0.003","90","","90","","90","","2923.5","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Diphenylbenzamide","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","MX3035","Choudhury, Diganta; Banik, Abhijit; Sarma, Rupam","<i>N</i>,<i>N</i>-Diphenylbenzamide","Acta Crystallographica Section C","2010","66","10","o524","o526","10.1107/S0108270110036887","","","0.71073","MoKα","","0.0517","0.0358","","","0.0972","0.103","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017856","6.3902","0.0003","31.1619","0.0014","10.5428","0.0005","90","","93.77","0.001","90","","2094.85","0.17","165","2","165","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4- diyl)bis(ethanesulfonato)]disilver(I)]","","- C20 H68 Ag2 N10 O20 S2 -","- C20 H68 Ag2 N10 O20 S2 -","- C40 H136 Ag4 N20 O40 S4 -","2","0.5","SF3135","Guo, Peng; Wang, Jing; Pan, Dao-cheng; Xu, Guo-Hai","Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H~2~O)~12~ clusters","Acta Crystallographica Section C","2010","66","9","m266","m268","10.1107/S0108270110032609","","","0.71073","MoKα","","0.0413","0.0297","","","0.0787","0.0936","","","","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017857","8.0997","0.0007","8.436","0.0006","9.3521","0.0009","98.558","0.007","99.869","0.008","91.64","0.007","621.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hexaaqua nickel(II) bissulfato-1,4,8,11-tetraazacyclotetradecane nickelate(II) dihydrate","","- C10 H40 N4 Ni2 O16 S2 -","- C10 H40 N4 Ni2 O16 S2 -","- C10 H40 N4 Ni2 O16 S2 -","1","0.5","SF3137","Churchard, Andrew James; Cyrański, Michał Ksawery; Grochala, Wojciech","Hexaaquanickel(II) disulfato(1,4,8,11-tetraazacyclotetradecane)nickelate(II) dihydrate","Acta Crystallographica Section C","2010","66","9","m263","m265","10.1107/S0108270110031598","","","0.71073","MoKα","","0.0247","0.0179","","","0.0394","0.0402","","","","","","0.945","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017858","7.5621","0.0002","24.0471","0.0006","8.8524","0.0002","90","","111.966","0.001","90","","1492.92","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C68 H52 F4 N8 O12 -","4","1","SK3380","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","Acta Crystallographica Section C","2010","66","10","o499","o502","10.1107/S0108270110034773","","","0.71073","MoKα","","0.0728","0.0439","","","0.1092","0.1245","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017859","7.6404","0.0002","8.8734","0.0002","13.0368","0.0003","100.627","0.001","91.113","0.001","109.804","0.001","814.1","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","SK3380","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Neves, M. A. C.; Sá e Melo, M. L.","6-[(4-Fluorophenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1<i>H</i>-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol","Acta Crystallographica Section C","2010","66","10","o499","o502","10.1107/S0108270110034773","","","0.71073","MoKα","","0.1022","0.0462","","","0.1071","0.1298","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017860","15.1851","0.0003","18.6584","0.0006","19.9114","0.0006","90","","91.3","0.002","90","","5640","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benzidinium bis(5-sulfonate) dihydrate","biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","- C208 H224 N16 O112 S16 -","8","2","SK3381","Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao","Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2010","66","10","o508","o512","10.1107/S0108270110034657","","","0.71073","Mokα","","0.146","0.063","","","0.1278","0.1653","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017861","8.6625","0.0014","9.2851","0.0015","9.7249","0.0016","76.514","0.002","72.834","0.003","77.947","0.003","718.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","benzidinium bis(5-sulfonate) dihydrate","biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","- C26 H28 N2 O14 S2 -","1","0.5","SK3381","Yin, Wen-xing; Huang, Xue-ying; Xu, Xing-man; Meng, Xiang-gao","Two three-dimensional networks in two polymorphs of biphenyl-4,4'-diaminium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2010","66","10","o508","o512","10.1107/S0108270110034657","","","0.71073","Mokα","","0.0605","0.0542","","","0.1474","0.1539","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017862","4.176","0.0006","11.296","0.002","12.07","0.003","116.929","0.015","90.478","0.013","95.767","0.015","504.13","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C18 H20 N8 O6 -","2","1","SK3387","Gálvez, Jaime A.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","2-Cyano-<i>N</i>-(4,6-dimethoxypyrimidin-2-yl)acetamide: complex sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2010","66","10","o521","o523","10.1107/S010827011003619X","","","0.71073","MoKα","","0.0974","0.0583","","","0.1413","0.1626","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017863","17.3649","0.0009","8.6087","0.0004","23.8669","0.0012","90","","90","","90","","3567.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate]","","- C21 H11.5 N7 O2.25 Zn -","- C21 H11 N7 O2.25 Zn -","- C168 H88 N56 O18 Zn8 -","8","1","SQ3250","Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo","A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene","Acta Crystallographica Section C","2010","66","10","m283","m285","10.1107/S0108270110033998","","","0.71073","MoKα","","0.0355","0.0272","","","0.0682","0.0706","","","","","","0.968","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017864","24.0774","0.0019","8.5348","0.0007","19.2633","0.0015","90","","109.634","0.001","90","","3728.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dipotassium bis(sulfito-κ<i>S</i>)mercurate(II) 2.25-hydrate","","- H4.5 Hg K2 O8.25 S2 -","- Hg K2 O8.25 S2 -","- Hg16 K32 O132 S32 -","16","2","SQ3257","Weil, Matthias; Baumann, Stefan O.; Breitinger, Dietrich K.","K~2~[Hg(SO~3~)~2~]·2.25H~2~O","Acta Crystallographica Section C","2010","66","10","i89","i91","10.1107/S0108270110032373","","","0.71073","MoKα","","0.0269","0.0231","","","0.0567","0.0582","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017865","10.9066","0.0007","15.0537","0.001","15.0663","0.001","75.89","0.001","74.199","0.001","81.399","0.001","2299.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>- imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]","","- C52 H30 N10 O8 Pb2 -","- C52 H30 N10 O8 Pb2 -","- C104 H60 N20 O16 Pb4 -","2","1","SQ3261","Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan","Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net","Acta Crystallographica Section C","2010","66","9","m245","m248","10.1107/S0108270110032026","","","0.71073","MoKα","","0.0441","0.0305","","","0.0651","0.0699","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017866","10.744","0.004","14.847","0.003","6.722","0.003","90","","105.51","0.03","90","","1033.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","tetrasodium cobalt aluminium hexaarsenate","","- Al0.91 As6 Co5.63 Na4 O24 -","- Al0.916 As6 Co5.63 Na4 O24 -","- Al1.832 As12 Co11.26 Na8 O48 -","2","0.25","SQ3262","Marzouki, Riadh; Guesmi, Abderrahmen; Driss, Ahmed","The novel arsenate Na~4~Co~7{-~<i>x</i>}Al~2/3<i>x~</i>(AsO~4~)~6~ (<i>x</i> = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations","Acta Crystallographica Section C","2010","66","10","i95","i98","10.1107/S0108270110037376","","","0.71073","MoKα","","0.0312","0.0261","","","0.0656","0.0678","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017867","20.218","0.014","7.968","0.004","10.208","0.005","90","","91.288","0.013","90","","1644.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido- [chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate]","","- C14 H38 Cd3 Cl12 N4 O4 -","- C14 H38 Cd3 Cl12 N4 O4 -","- C28 H76 Cd6 Cl24 N8 O8 -","2","0.25","SQ3266","Xiao, Jing-Mei","<i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate]","Acta Crystallographica Section C","2010","66","11","m348","m350","10.1107/S0108270110040813","","","0.71073","MoKα","","0.028","0.0228","","","0.0624","0.085","","","","","","1.295","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017868","4.8188","0.0003","14.6889","0.0008","11.2087","0.0008","90","","91.855","0.002","90","","792.97","0.09","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diammonium 2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetate","","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","- C28 H40 N4 O20 -","2","0.5","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0633","0.0429","","","0.0929","0.102","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017869","10.2508","0.0002","11.1655","0.0003","14.7606","0.0004","79.5944","0.0012","82.151","0.0012","69.9402","0.0017","1555.74","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","poly[[aquabis[μ~4~-2,2'-(2-carboxylatomethyl-5-carboxymethyl-1,4- phenylenedioxy)diacetato]dilanthanum(III)] monohydrate]","","- C28 H26 La2 O22 -","- C28 H26 La2 O22 -","- C56 H52 La4 O44 -","2","1","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0517","0.0369","","","0.0825","0.0893","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017870","8.9186","0.0004","12.2656","0.0007","16.3199","0.0008","90","","91.384","0.004","90","","1784.75","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[{μ~4~-2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetato}zinc(II)] trihydrate]","","- C14 H18 O13 Zn -","- C14 H10 O10 Zn -","- C56 H40 O40 Zn4 -","4","1","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.1093","0.0729","","","0.2003","0.2204","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017871","7.7218","0.0004","8.352","0.0005","10.7204","0.0006","108.621","0.003","94.915","0.003","92.412","0.003","651.01","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaqua(μ~2~-4,4'-bipyridyl){μ~4~-2,2'-[2,5-bis(carboxymethyl)-1,4- phenylenedioxy]diacetato}dizinc(II)] dihydrate]","","- C24 H26 N2 O14 Zn2 -","- C24 H26 N2 O14 Zn2 -","- C24 H26 N2 O14 Zn2 -","1","0.5","SU3049","Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel","Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations","Acta Crystallographica Section C","2010","66","9","m238","m244","10.1107/S0108270110031318","","","0.71073","MoKα","","0.0644","0.0481","","","0.0865","0.0922","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017872","6.163","0.0006","13.7698","0.001","12.4856","0.0011","90","","101.37","0.008","90","","1038.77","0.16","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","poly[bis[μ~4~-1,2-bis(1,2,4-triazol-4-yl)ethane]di-μ~2~-fluorido-\ tetrafluoridodi-μ~2~-oxido-dicopper(I)divanadium(IV)]","","- C12 H16 Cu2 F6 N12 O2 V2 -","- C12 H16 Cu2 F6 N12 O2 V2 -","- C24 H32 Cu4 F12 N24 O4 V4 -","2","0.5","SU3051","Sharga, Olena V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","A three-dimensional heterometallic Cu^I^/V^IV^ 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids","Acta Crystallographica Section C","2010","66","9","m269","m272","10.1107/S0108270110034323","","","0.71073","MoKα","","0.0316","0.0263","","","0.067","0.0684","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017873","8.1826","0.0003","18.153","0.0007","13.4723","0.0004","90","","92.601","0.002","90","","1999.1","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-[[[6-[[(<i>N</i>-benzylcarbamimidoyl)amino]methyl]pyridine-2- carbonyl]amino]methyl]benzoic acid","<i>N</i>-benzyl-<i>N</i>'-{6-[(4-carboxylatobenzyl)aminocarbonyl]- 2-pyridylmethyl}guanidinium","","- C23 H23 N5 O3 -","- C23 H23 N5 O3 -","- C92 H92 N20 O12 -","4","1","UK3023","Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.","Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds","Acta Crystallographica Section C","2010","66","9","o455","o458","10.1107/S0108270110029252","","","0.71073","MoKα","","0.0876","0.0604","","","0.1167","0.1323","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017874","11.0848","0.0009","11.5591","0.0007","11.9676","0.0011","99.956","0.005","98.908","0.003","117.818","0.004","1286.03","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-[[[6-[[[<i>N</i>-[3-(benzylamino)-3-oxo-propyl]carbamimidoyl]amino]methyl] pyridine-2-carbonyl]amino]methyl]benzoic acid monohydrate","<i>N</i>-[2-(benzylaminocarbonyl)ethyl]-<i>N</i>'-{6-[(4- carboxylatobenzyl)aminocarbonyl]-2-pyridylmethyl}guanidinium monohydrate","","- C26 H30 N6 O5 -","- C26 H30 N6 O5 -","- C52 H60 N12 O10 -","2","1","UK3023","Ashiq, Muhammad Irfan; Hussain, Ishtiaq; Dixon, Sally; Light, Mark E.; Kilburn, Jeremy D.","Dimeric supramolecular motifs of two carboxylate‒guanidinium compounds","Acta Crystallographica Section C","2010","66","9","o455","o458","10.1107/S0108270110029252","","","0.71073","MoKα","","0.1078","0.0765","","","0.1337","0.1452","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017875","4.7071","0.0005","20.125","0.002","20.903","0.002","90","","90","","90","","1980.1","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-allopyranoside tetrahydrate","","- C13 H32 O15 -","- C13 H32 O15 -","- C52 H128 O60 -","4","1","UK3025","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-allopyranoside tetrahydrate","Acta Crystallographica Section C","2010","66","9","o484","o487","10.1107/S0108270110029471","","","0.7749","synchrotron","","0.0426","0.0391","","","0.0999","0.1024","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017876","8.7346","0.0017","10.187","0.002","14.253","0.003","70.79","0.003","76.059","0.003","78.143","0.004","1151.3","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C52 H56 N4 O8 S2 -","2","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0551","0.0408","","","0.1095","0.1153","","","","","","1.022","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017877","13.437","0.005","12.993","0.005","27.088","0.01","90","","90","","90","","4729","3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C208 H224 N16 O32 S8 -","8","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0659","0.0447","","","0.1152","0.1234","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017878","27.922","0.006","6.4261","0.0008","14.668","0.003","90","","118.849","0.018","90","","2305.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","EG3062","Cuenú, Fernando; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one: a three-dimensional framework structure built from N—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2010","66","12","o589","o592","10.1107/S0108270110040825","","","0.71073","MoKα","","0.0854","0.0492","","","0.1065","0.1261","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017879","5.7773","0.0001","5.7773","0.0001","13.0852","0.0003","90","","90","","120","","378.234","0.013","353","","353","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","strontium haxavanadium undecaoxide","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","FA3226","Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji","The structural phase transition in SrV~6~O~11~","Acta Crystallographica Section C","2010","66","12","i99","i102","10.1107/S0108270110046299","","","0.71073","MoKα","","0.0209","0.0205","","","0.0533","0.0535","","","","","","1.369","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017880","5.7702","0.0001","5.7702","0.0001","13.0784","0.0003","90","","90","","120","","377.109","0.013","295","","295","","","","","","","","","3","P 63 m c","P 6c -2c","186","","strontium haxavanadium undecaoxide","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.166667","FA3226","Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji","The structural phase transition in SrV~6~O~11~","Acta Crystallographica Section C","2010","66","12","i99","i102","10.1107/S0108270110046299","","","0.71073","MoKα","","0.0216","0.0216","","","0.0548","0.0549","","","","","","1.205","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017881","11.9437","0.001","12.5913","0.0012","13.8768","0.0013","104.9","0.001","100.968","0.002","115.129","0.001","1715.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","thiamiine iodide","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl- 1,3-thiazol-3-ium iodide 1.25-hydrate","","- C12 H19.5 I N4 O2.25 S -","- C12 H19.5 I N4 O2.25 S -","- C48 H78 I4 N16 O9 S4 -","4","2","FA3240","Li, Shu-Qiang; Hu, Ning-Hai","Interaction of thiamine with anions in the triclinic form of thiamine iodide: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide 1.25-hydrate","Acta Crystallographica Section C","2010","66","12","o581","o584","10.1107/S0108270110043325","","","0.71073","MoKα","","0.0627","0.0527","","","0.1473","0.1563","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017882","5.88","0.0012","11.46","0.002","16.14","0.003","103.53","0.03","99.31","0.03","104.61","0.03","994.6","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine","","- C23 H19 N7 -","- C23 H19 N7 -","- C46 H38 N14 -","2","1","FG3196","Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.","2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex","Acta Crystallographica Section C","2010","66","12","m366","m370","10.1107/S010827011004223X","","","0.71073","MoKα","","0.1214","0.0543","","","0.1333","0.1849","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017883","8.299","0.0017","12.956","0.003","14.52","0.003","88.56","0.03","84.76","0.03","87.36","0.03","1552.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","aqua[2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4- yl)pyridine](pyridine)(tetrafluoroborato)copper(II) tetrafluoroborate","","- C28 H26 B2 Cu F8 N8 O -","- C28 H26 B2 Cu F8 N8 O -","- C56 H52 B4 Cu2 F16 N16 O2 -","2","1","FG3196","Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.","2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex","Acta Crystallographica Section C","2010","66","12","m366","m370","10.1107/S010827011004223X","","","0.71073","MoKα","","0.1157","0.056","","","0.1203","0.1493","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017884","7.278","0.001","11.977","0.002","14.268","0.001","81.31","0.002","76.269","0.001","85.793","0.001","1193.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl- 2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate","","- C46 H48 Mn N12 O14 -","- C46 H48 Mn N12 O14 -","- C46 H48 Mn N12 O14 -","1","0.5","FG3201","Wang, Zi-Liang; Wei, Lin-heng; Li, Ming-Xue","A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl-2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate","Acta Crystallographica Section C","2010","66","12","m387","m390","10.1107/S0108270110046743","","","0.71073","MoKα","","0.0573","0.0467","","","0.1116","0.1171","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017885","6.9961","0.0001","7.9421","0.0001","13.0864","0.0002","73.3925","0.0006","84.1579","0.0006","70.8388","0.0006","658.168","0.016","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","","- C12 H17 Cl N2 O S -","- C12 H17 Cl N2 O S -","- C24 H34 Cl2 N4 O2 S2 -","2","1","FG3203","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section C","2010","66","12","o593","o595","10.1107/S0108270110045099","","","0.71073","MoKα","","0.0304","0.0281","","","0.0709","0.0722","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017886","11.8877","0.0002","9.212","0.0002","12.6673","0.0003","90","","99.0242","0.001","90","","1370.02","0.05","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","","- C12 H17 Cl N2 O S -","- C12 H17 Cl N2 O S -","- C48 H68 Cl4 N8 O4 S4 -","4","1","FG3203","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section C","2010","66","12","o593","o595","10.1107/S0108270110045099","","","0.71073","MoKα","","0.062","0.0419","","","0.1017","0.1117","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017887","13.4426","0.0011","13.7495","0.0013","8.3662","0.0015","90","","100.752","0.013","90","","1519.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipocotamide picrate","4-carbamoylpiperidinium 2,4,6-trinitrophenolate","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C48 H60 N20 O32 -","4","1","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.053","0.0359","","","0.1011","0.107","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017888","11.7131","0.0012","12.645","0.0011","11.8521","0.0014","90","","118.196","0.014","90","","1547.1","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide 3,5-dinitrosalicylate (polymorph 1)","4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","","- C13 H16 N4 O8 -","- C13 H16 N4 O8 -","- C52 H64 N16 O32 -","4","1","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.056","0.0388","","","0.0921","0.0983","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017889","6.4628","0.0004","10.2375","0.0005","23.8964","0.0012","98.644","0.004","96.905","0.005","100.753","0.005","1517.65","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide 3,5-dinitrosalicylate: polymorph 2","4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","","- C13 H16 N4 O8 -","- C13 H16 N4 O8 -","- C52 H64 N16 O32 -","4","2","FG3206","Smith, Graham; Wermuth, Urs D.","Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section C","2010","66","12","o609","o613","10.1107/S010827011004672X","","","0.71073","MoKα","","0.0598","0.0387","","","0.0875","0.0948","","","","","","0.819","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017890","10.7425","0.001","16.0538","0.0015","8.5067","0.0008","90","","97.224","0.009","90","","1455.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium cyclohexane-1,2-dicarboxylate","bis(guanidinium) <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylate","","- C10 H22 N6 O4 -","- C10 H22 N6 O4 -","- C40 H88 N24 O16 -","4","1","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.0472","0.0349","","","0.086","0.089","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017891","20.97","0.003","5.1421","0.0006","22.241","0.002","90","","107.577","0.014","90","","2286.3","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","guanidinium hydrogen isophthalate monohydrate","guanidinium 3-carboxybenzoate monohydrate","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C72 H104 N24 O40 -","8","1","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.067","0.052","","","0.1489","0.1555","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017892","18.0402","0.0007","5.142","0.0002","18.1496","0.0007","90","","110.297","0.004","90","","1579.07","0.11","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(guanidinium) terephthalate trihydrate","bis(guanidinium) benzene-1,4-dicarboxylate trihydrate","","- C10 H22 N6 O7 -","- C10 H22 N6 O7 -","- C40 H88 N24 O28 -","4","0.5","GD3361","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)","Acta Crystallographica Section C","2010","66","12","o575","o580","10.1107/S0108270110042356","","","0.71073","MoKα","","0.0541","0.0393","","","0.1089","0.1138","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017893","24.0265","0.0016","8.7253","0.0006","19.4746","0.0013","90","","90","","90","","4082.6","0.5","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","","- C18 H58 Nd2 O33 -","- C18 H58 Nd2 O33 -","- C72 H232 Nd8 O132 -","4","0.25","GD3367","Zehnder, Ralph A.; Fontaine, Nick C.; Zeller, Matthias; Renn, Robert A.","Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]","Acta Crystallographica Section C","2010","66","12","m371","m374","10.1107/S0108270110044872","","","0.71073","MoKα","","0.0337","0.0286","","","0.0784","0.083","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017894","12.4911","0.0006","8.51","0.0004","13.2883","0.0007","90","","90","","90","","1412.54","0.12","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxy-2,2'-biphenyldiol","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","0.5","GG3249","Langer, Vratislav; Lundquist, Knut","5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons","Acta Crystallographica Section C","2010","66","12","o606","o608","10.1107/S0108270110046913","","","0.71073","MoKα","","0.0492","0.038","","","0.1083","0.116","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017895","7.7873","0.0009","7.1895","0.0008","11.1111","0.0012","90","","99.274","0.005","90","","613.94","0.12","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(6aS,9S,10aR)-11,11-dimethyl-5,5-dioxo-2,3,8,9-tetrahydro-6<i>H</i>-6a,9- methanooxazaolo[2,3-<i>i</i>][2,1]benzisothiazol-10(7<i>H</i>)-one","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0373","0.0306","","","0.0686","0.0715","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017896","15.5889","0.0008","15.9297","0.0008","16.2269","0.0011","60.863","0.002","72.511","0.003","82.119","0.002","3356.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate","","- C78 H234 N6 O64 Si8 -","- C77.82 H233.7 N6 O64 Si8 -","- C77.82 H233.7 N6 O64 Si8 -","1","0.5","SF3136","Verlooy, Pieter L. H.; Robeyns, Koen; Van Meervelt, Luc; Kirschhock, Christine E. A.; Martens, Johan A.","Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate","Acta Crystallographica Section C","2010","66","12","o619","o622","10.1107/S0108270110044549","","","1.54178","CuKα","","0.0748","0.0651","","","0.1782","0.1864","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017897","7.0202","0.0014","5.6645","0.0011","9.938","0.002","90","","106.06","0.03","90","","379.77","0.14","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate]","","- C5 H10 Cu O6 -","- C5 H10 Cu O6 -","- C10 H20 Cu2 O12 -","2","1","SK3385","Guo, Ming-Lin; Wang, Feng-Qin","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","Acta Crystallographica Section C","2010","66","12","m379","m383","10.1107/S010827011004761X","","","0.71073","MoKα","","0.0606","0.0564","","","0.1494","0.1517","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017898","8.7697","0.0018","8.5492","0.0017","9.3313","0.0019","90","","105.42","0.03","90","","674.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C20 H32 Cu4 O20 -","4","1","SK3385","Guo, Ming-Lin; Wang, Feng-Qin","Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]","Acta Crystallographica Section C","2010","66","12","m379","m383","10.1107/S010827011004761X","","","0.71073","MoKα","","0.0389","0.0349","","","0.0829","0.0858","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017899","3.7762","0.0003","16.3219","0.0011","11.6334","0.0008","90","","91.525","0.005","90","","716.77","0.09","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Formylsalicylic acid","5-Formyl-2-hydroxybenzoic acid","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0591","0.0405","","","0.1111","0.1234","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017900","16.2033","0.0004","8.1005","0.0002","18.8425","0.0005","90","","90","","90","","2473.17","0.11","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(benzimidazolium-2-yl)salicylate","5-(1<i>H</i>-benzimidazol-3-ium-2-yl)-2-hydroxybenzoate","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0676","0.041","","","0.0935","0.104","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017901","6.775","0.004","6.924","0.003","22.815","0.009","84.69","0.03","84.73","0.05","68.34","0.04","988.5","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid","","- C17 H32 O2 S3 -","- C17 H32 O2 S3 -","- C34 H64 O4 S6 -","2","1","SK3394","Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher","2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid: a chain of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(20) rings built from O—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2010","66","12","o627","o630","10.1107/S0108270110044884","","","0.71073","MoKα","","0.0795","0.0513","","","0.1151","0.1291","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017902","16.586","0.004","14.082","0.003","10.507","0.002","90","","103.22","0.03","90","","2389","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-benzyl-3-(4-<i>n</i>-octyloxybenzylidene)dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>']palladium(II)","","- C46 H58 N4 O2 Pd S4 -","- C46 H58 N4 O2 Pd S4 -","- C92 H116 N8 O4 Pd2 S8 -","2","0.5","SQ3259","Tarafder, M. T. H.; Islam, M. A. A. A. A.; Howlader, M. B. H.; Guidolin, N.; Zangrando, E.","Bis[<i>S</i>-benzyl-3-(4-<i>n</i>-octyloxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>']palladium(II)","Acta Crystallographica Section C","2010","66","12","m363","m365","10.1107/S0108270110044008","","","0.71073","MoKα","","0.0843","0.0364","","","0.0751","0.0828","","","","","","0.77","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017903","7.1523","0.0002","20.0145","0.0005","36.8669","0.0008","90","","90","","90","","5277.5","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C288 H192 N16 O16 -","8","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.102","0.0522","","","0.1334","0.1556","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017904","10.3121","0.0003","11.1215","0.0003","19.8676","0.0006","91.593","0.002","96.918","0.002","108.463","0.002","2140.25","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi- 1,3-oxazole","","- C52 H56 N2 O2 -","- C52 H56 N2 O2 -","- C104 H112 N4 O4 -","2","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.1165","0.0569","","","0.1439","0.1801","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017905","11.0099","0.0009","12.558","0.001","19.2362","0.0015","90","","99.635","0.002","90","","2622.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-biphenyl-2,4'-dicarboxylate- κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)[μ~2~-1,4- bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cadmium(II)] 0.15-hydrate]","","- C28 H22.3 Cd N4 O4.15 -","- C28 H22.3 Cd N4 O4.15 -","- C112 H89.2 Cd4 N16 O16.6 -","4","1","SU3055","Li, Jie; Li, Chuanjiang; Wang, Zi-Liang","Poly[[(μ~2~-biphenyl-2,4'-dicarboxylato)[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]cadmium(II)] 0.15-hydrate]","Acta Crystallographica Section C","2010","66","12","m384","m386","10.1107/S0108270110045774","","","0.71073","MoKα","","0.114","0.0675","","","0.1233","0.1378","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017906","29.035","0.003","9.766","0.0009","10.5779","0.0012","90","","105.02","0.012","90","","2897","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","isonipecotamide 2-nitrobenzoate","4-carbamoylpiperidinium 2-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C104 H136 N24 O40 -","8","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0551","0.0348","","","0.0819","0.0872","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017907","14.2504","0.0015","6.8276","0.0005","15.458","0.0017","90","","115.41","0.013","90","","1358.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide 3-nitrobenzoate","4-carbamoylpiperidinium 3-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0584","0.0379","","","0.0877","0.0931","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017908","7.5371","0.0006","12.4216","0.0012","15.0911","0.0013","90","","99.848","0.007","90","","1392.1","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide 4-nitrobenzoate","4-carbamoylpiperidinium 4-nitrobenzoate","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0456","0.0347","","","0.0918","0.0954","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017909","5.7159","0.0005","11.997","0.0012","12.6447","0.001","111.37","0.008","99.504","0.007","100.772","0.008","767.04","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide 3,5-dinitrobenzoate","4-carbamoylpiperidinium 3,5-dinitrobenzoate","","- C13 H16 N4 O7 -","- C13 H16 N4 O7 -","- C26 H32 N8 O14 -","2","1","SU3056","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2010","66","12","o614","o618","10.1107/S0108270110045750","","","0.71073","MoKα","","0.0605","0.0397","","","0.0866","0.0924","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017910","7.697","0.0009","6.9954","0.0008","12.2852","0.0013","90","","98.145","0.005","90","","654.81","0.13","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(7aS,10S,11aR)-12,12-dimethyl-6,6-dioxo-3,4,9,10-tetrahydro-7<i>H</i>- 7a,10-methano- 2<i>H</i>-1,3-oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11(8<i>H</i>)-one","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0395","0.031","","","0.0731","0.0764","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017911","7.3091","0.0008","10.9033","0.0012","15.211","0.0016","90","","90","","90","","1212.2","0.2","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9S,10R,10aR)-11,11-dimethyl-5,5-dioxo-2,3,7,8,9,10-hexahydro- 6<i>H</i>-6a,9-methanooxazolo[2,3-<i>i</i>][2,1]benziisothiazol-10-ol","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C48 H76 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0365","0.031","","","0.0733","0.0766","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017912","16.5474","0.0018","7.5668","0.0009","11.5945","0.0013","90","","115.376","0.005","90","","1311.7","0.3","210","2","210","2","","","","","","","","5","C 1 2 1","C 2y","5","","(7aS,10S,11R,11aR)-12,12-dimethyl-6,6-dioxo-3,4,8,9,10,11-hexhydro- 7<i>H</i>-7a-methano- 2<i>H</i>-[1,3]oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11-ol","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C52 H84 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0379","0.0317","","","0.0699","0.0726","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017913","6.4612","0.0012","6.7246","0.0013","14.501","0.003","90","","102.151","0.003","90","","615.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0361","0.031","","","0.0726","0.0748","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017914","6.4579","0.0008","6.7248","0.0009","14.5052","0.0019","90","","102.364","0.002","90","","615.32","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(3-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C24 H32 F2 N2 O10 -","2","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0466","0.0366","","","0.0892","0.0967","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017915","6.4133","0.0006","6.6924","0.0006","28.699","0.003","90","","90","","90","","1231.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C48 H64 F4 N4 O20 -","4","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0376","0.0305","","","0.0687","0.0715","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017916","8.4719","0.0015","23.586","0.003","9.8635","0.0014","90","","103.683","0.006","90","","1915","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4- hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)]","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C76 H76 Cu4 N12 O20 -","4","1","MX3036","Jiang, Li-Fang","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)","Acta Crystallographica Section C","2010","66","12","m375","m378","10.1107/S0108270110044343","","","0.71073","MoKα","","0.0999","0.0595","","","0.1212","0.1384","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017917","7.4198","0.0015","14.969","0.003","15.885","0.003","90","","91.78","0.03","90","","1763.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazone)copper(II)","","- C19 H19 Cu N3 O4 -","- C19 H19 Cu N3 O4 -","- C76 H76 Cu4 N12 O16 -","4","1","MX3036","Jiang, Li-Fang","<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)","Acta Crystallographica Section C","2010","66","12","m375","m378","10.1107/S0108270110044343","","","0.71073","MoKα","","0.1351","0.0505","","","0.1086","0.154","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017918","5.49","0.005","15.72","0.015","24.82","0.02","90","","90","","90","","2142","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DAPT","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}- (<i>S</i>)-phenylglycine <i>tert</i>-butyl ester","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","0.7","synchrotron","","0.0399","0.0395","","","0.1115","0.1124","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017919","5.49","","15.72","","24.82","","90","","90","","90","","2142.03","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C22.512 H26 F1.955 Is27.357 N1.971 O3.892 -","- C90.048 H104 F7.82 Is109.428 N7.884 O15.568 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","","","","","","","","","","","","","","","","","","","has coordinates","209312","2020-10-21","18:00:00",""
"2017920","8.1587","0.0016","9.8055","0.0019","27.758","0.005","90","","94.358","0.003","90","","2214.2","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- <i>N</i>-methylpyridine-2-carboxamide","","- C21 H16 Cl F3 N4 O3 -","- C21 H16 Cl F3 N4 O3 -","- C84 H64 Cl4 F12 N16 O12 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0447","0.0368","","","0.0961","0.1023","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017921","21.276","0.004","9.116","0.0017","16.077","0.003","90","","108.143","0.003","90","","2963.1","1","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-2-(<i>N</i>- methylcarbamoyl)pyridinium 4-methylbenzenesulfonate","","- C28 H24 Cl F3 N4 O6 S -","- C28 H24 Cl F3 N4 O6 S -","- C112 H96 Cl4 F12 N16 O24 S4 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0741","0.05","","","0.1278","0.1422","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017922","6.6257","0.0004","26.488","0.002","8.0032","0.0005","90","","100.347","0.005","90","","1381.73","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethyl sulfoxide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide monosolvate","","- C10 H12 N4 O6 S -","- C10 H12 N4 O6 S -","- C40 H48 N16 O24 S4 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.091","0.0499","","","0.0975","0.1098","","","","","","0.885","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017923","16.171","0.0011","13.7985","0.0008","10.3465","0.0008","90","","102.358","0.006","90","","2255.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","nitrofurantoin dimethyl sulfoxide hemisolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide hemisolvate","","- C9 H9 N4 O5.5 S0.5 -","- C9 H9 N4 O5.5 S0.5 -","- C72 H72 N32 O44 S4 -","8","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.047","0.0386","","","0.0961","0.0998","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017924","6.6544","0.0005","7.9842","0.0006","14.3515","0.0011","100.021","0.006","93.566","0.006","99.274","0.006","737.85","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","nitrofurantoin dimethylacetamide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C24 H30 N10 O12 -","2","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0587","0.0384","","","0.0934","0.1004","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017925","16.2038","0.0016","7.4215","0.0005","13.1195","0.0012","90","","111.681","0.007","90","","1466.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0989","0.0504","","","0.0941","0.1064","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017926","20.874","0.002","11.5433","0.0009","8.7162","0.0009","90","","100.708","0.009","90","","2063.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide disolvat","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethylacetamide disolvat","","- C16 H24 N6 O7 -","- C16 H24 N6 O7 -","- C64 H96 N24 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0606","0.0467","","","0.1195","0.1261","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017927","11.3031","0.0007","13.1539","0.0008","9.3959","0.0005","90","","94.327","0.005","90","","1393","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diacetaminopyridine dimethylformamide monosolvate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C48 H72 N16 O12 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0583","0.0415","","","0.0931","0.099","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017928","9.8407","0.0006","17.9443","0.001","10.9902","0.0006","90","","97.839","0.005","90","","1922.56","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nitrofurantoin‒2,6-diacetaminopyridine (1/1)","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione‒2,6- diacetaminopyridine (1/1)","","- C17 H17 N7 O7 -","- C17 H17 N7 O7 -","- C68 H68 N28 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0597","0.0444","","","0.1151","0.1222","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017929","8.7142","0.0002","12.0207","0.0003","13.9102","0.0004","90","","100.974","0.0018","90","","1430.46","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-4-ylidene]-4- isopropylidenetetrahydrofuran-2,5-dione","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0452","0.0369","","","0.0928","0.0986","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017930","9.1881","0.0002","12.0022","0.0003","13.7215","0.0003","90","","100.433","0.0013","90","","1488.16","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>- cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0451","0.0349","","","0.0861","0.0909","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017931","8.7024","0.0002","12.8964","0.0004","26.9492","0.0007","90","","90","","90","","3024.5","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-\ cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0542","0.0377","","","0.0885","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017932","7.175","0.0002","12.0569","0.0002","19.9592","0.0004","103.814","0.0012","91.1022","0.0013","106.593","0.0012","1599.77","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-isopropylidene-4-[(<i>E</i>)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","2","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0532","0.0396","","","0.0992","0.1069","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017933","26.5923","0.0004","8.614","0.0001","15.355","0.0002","90","","115.848","0.0008","90","","3165.41","0.08","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-isopropylidene-4-[(<i>Z</i>)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0383","0.0339","","","0.0882","0.0911","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017934","3.9293","0.0003","8.6611","0.0007","9.6044","0.0008","83.111","0.005","88.09","0.006","81.479","0.006","320.88","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C8 H16 N8 O4 -","2","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0394","0.0358","","","0.1068","0.1118","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017935","17.236","0.011","3.987","0.003","18.717","0.012","90","","104.45","0.009","90","","1245.5","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0893","0.0556","","","0.1306","0.1477","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017936","11.633","0.001","26.665","0.002","15.2364","0.0014","90","","91.513","0.001","90","","4724.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate","","- C33 H24 Br -","- C33 H24 Br -","- C264 H192 Br8 -","8","2","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0766","0.0425","","","0.089","0.1011","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017937","19.749","0.003","13.2672","0.0017","7.3108","0.0009","90","","90.021","0.002","90","","1915.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0366","0.0301","","","0.0695","0.0731","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017938","21.053","0.004","7.203","0.0014","13.37","0.003","90","","92","0.01","90","","2026.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","","- C28 H42 Co O28 P4 -","- C28 H42 Co O28 P4 -","- C56 H84 Co2 O56 P8 -","2","0.5","GZ3188","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","Acta Crystallographica Section C","2011","67","1","m9","m12","10.1107/S0108270110051425","","","0.71073","MoKα","","0.0819","0.0355","","","0.0623","0.0729","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017939","5.054","0.0002","6.2507","0.0002","10.9778","0.0002","85.57","0.001","88.638","0.001","84.509","0.002","344.131","0.019","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato- κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]","","- C6 H4 Ag N3 O3 -","- C6 H4 Ag N3 O3 -","- C12 H8 Ag2 N6 O6 -","2","1","JZ3193","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.; Öhrström, Lars","The coordination polymer poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]","Acta Crystallographica Section C","2011","67","1","m1","m4","10.1107/S0108270110049875","","","0.71073","MoKα","","0.0787","0.0473","","","0.0801","0.0909","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017940","8.742","0.002","9.403","0.003","17.979","0.003","90","","90","","90","","1477.9","0.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Caesium aluminium dizirconium tetrakis[phosphate(V)]","","- Al Cs O16 P4 Zr2 -","- Al Cs O16 P4 Zr2 -","- Al4 Cs4 O64 P16 Zr8 -","4","0.5","KU3036","Zhao, Dan; Li, Fei-Fei; Zhang, Ai-Yun; Yang, Lei; Zhu, Rui","CsAlZr~2~(PO~4~)~4~: an anhydrous aluminium zirconium phosphate with a novel three-dimensional framework","Acta Crystallographica Section C","2011","67","1","i4","i6","10.1107/S0108270110050535","","","0.71073","MoKα","","0.0295","0.0279","","","0.0665","0.0675","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017941","9.0999","0.0005","9.5912","0.0005","12.3272","0.0007","89.133","0.003","69.418","0.002","82.74","0.003","998.66","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,6-diamino-1<i>H</i>-purin-3-ium) di-μ-croconato- κ^3^<i>O<i>,<i>O<i>':<i>O<i>'';κ^3^<i>O<i>:<i>O<i>',<i>O<i>''- bis[tetraaqua(croconato-κ^2^<i>O<i>,<i>O<i>')neodymium(III)]","","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","1","0.5","MX3042","Atria, Ana María; Morel, Mauricio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,6-diamino-1<i>H</i>-purin-3-ium) di-μ-croconato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-bis[tetraaqua(croconato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)]","Acta Crystallographica Section C","2011","67","1","m17","m21","10.1107/S0108270110052893","","","0.71073","MoKα","","0.0339","0.0311","","","0.0799","0.0818","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017942","9.6931","0.0009","16.8888","0.0016","16.4202","0.0018","90","","94.706","0.012","90","","2679","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","","- C16 H14 F N O S -","- C16 H14 F N O S -","- C128 H112 F8 N8 O8 S8 -","8","2","SF3141","Gutiérrez, Alexander; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2011","67","1","o10","o12","10.1107/S0108270110044550","","","0.71073","MoKα","","0.1238","0.0516","","","0.0966","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017943","8.6971","0.0005","10.3972","0.0005","21.728","0.0015","90","","90","","90","","1964.8","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-bis(hydroxymethyl)propane-1,3-diyl bis(thiocyanate)","","- C7 H10 N2 O2 S2 -","- C7 H10 N2 O2 S2 -","- C56 H80 N16 O16 S16 -","8","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.09","0.0397","","","0.0608","0.0691","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017944","6.1635","0.0003","19.6495","0.001","6.3889","0.0004","90","","96.617","0.005","90","","768.6","0.07","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2-bis(chloromethyl)propane-1,3-diol","","- C5 H10 Cl2 O2 -","- C5 H10 Cl2 O2 -","- C20 H40 Cl8 O8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0299","0.0277","","","0.0743","0.0748","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017945","13.1287","0.001","6.0588","0.0005","12.5024","0.0012","90","","98.135","0.008","90","","984.49","0.15","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,9-dimethyl-2,4,8,10-tetraoxa-3λ^4^-thiaspiro[5.5]undecan-3-one","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C32 H56 O20 S4 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0419","0.0291","","","0.0766","0.0792","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017946","9.3934","0.0002","8.5696","0.0002","15.7918","0.0004","90","","104.38","0.002","90","","1231.38","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,5-dimethenyl-2,2-dimethyl-1,3-dioxane bis(thiocyanate)","{[5-(cyanosulfanyl)-2,2-dimethyl-1,3-dioxan-5-yl]sulfanyl}formonitrile","","- C10 H14 N2 O2 S2 -","- C10 H14 N2 O2 S2 -","- C40 H56 N8 O8 S8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0422","0.0292","","","0.0746","0.0772","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017947","11.9079","0.0015","15.6452","0.0013","9.255","0.001","90","","91.727","0.011","90","","1723.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[(1-acetyl-3-<i>tert</i>-butyl-1<i>H</i>-pyrazol-5-yl)amino]-3-nitrobenzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","SK3396","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 4-[(1-acetyl-3-<i>tert</i>-butyl-1<i>H</i>-pyrazol-5-yl)amino]-3-nitrobenzoate","Acta Crystallographica Section C","2011","67","1","o26","o28","10.1107/S0108270110047955","","","0.71073","MoKα","","0.0725","0.049","","","0.1019","0.1116","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017948","10.108","0.002","21.824","0.004","10.393","0.002","90","","92.52","0.03","90","","2290.4","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C88 H144 N16 O16 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.71073","MoKα","","0.0774","0.0578","","","0.1305","0.1401","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017949","22.839","0.006","5.0394","0.0013","18.802","0.005","90","","111.224","0.004","90","","2017.2","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-ethyl-5-methylhexanamide","","- C9 H19 N O -","- C9 H19 N O -","- C72 H152 N8 O8 -","8","1","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.0697","0.0544","","","0.1467","0.1586","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017950","21.597","0.005","5.0469","0.0012","18.424","0.005","90","","111.529","0.003","90","","1868.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylpentanamide","","- C8 H17 N O -","- C8 H17 N O -","- C64 H136 N8 O8 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.08","0.049","","","0.1221","0.1405","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017951","14.27366","0.00009","11.75678","0.00007","7.19753","0.00004","90","","90","","90","","1207.83","0.012","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","","distrontium dimagnesium pentadecaoxidotetraphosphate","","- Mg2.64 O15 P4 Sr2.36 -","- Mg2.643 O15 P4 Sr2.357 -","- Mg10.572 O60 P16 Sr9.428 -","4","0.25","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0276","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017952","6.9443","0.0004","8.2861","0.0004","9.0438","0.0005","90","","113.816","0.003","90","","476.08","0.05","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimagnesium heptaoxidodiphosphate","","- Mg2 O7 P2 -","- Mg2 O7 P2 -","- Mg8 O28 P8 -","4","1","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0469","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017953","7.594","0.003","8.282","0.008","5.071","0.004","90","","94.01","0.06","90","","318.2","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trimagnesium ocyaoxidodiphosphate","","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.049","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017954","29.5249","0.0014","8.0969","0.0009","15.4717","0.0006","90","","98.635","0.004","90","","3656.7","0.5","291","","291","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diethyl 2,2'-[({[amino(pyrazin-2- yl)methylidene]hydrazinylidene}methylidene)bis(sulfanediyl)]diacetate","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C112 H152 N40 O32 S16 -","8","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0362","0.0292","","","0.0892","0.0917","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017955","7.7213","0.0001","8.1004","0.0001","9.3331","0.0001","87.9959","0.0011","79.0802","0.0012","82.8402","0.001","568.667","0.012","290","","290","","","","","","","","","4","P -1","-P 1","2","","methyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C8 H11 N5 S2 -","- C8 H11 N5 S2 -","- C16 H22 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0335","0.0319","","","0.0937","0.0945","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017956","7.2329","0.0001","7.9041","0.0001","14.0969","0.0002","105.717","0.001","91.368","0.001","93.863","0.001","773.274","0.019","290","","290","","","","","","","","","4","P -1","-P 1","2","","benzyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C14 H15 N5 S2 -","- C14 H15 N5 S2 -","- C28 H30 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","1.54178","CuKα","","0.0367","0.0359","","","0.0974","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017957","20.7274","0.0006","5.7456","0.0001","9.1455","0.0003","90","","90","","90","","1089.15","0.05","290","","290","","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>'-Anilinopyrazine-2-carboximidamide","","- C11 H11 N5 -","- C11 H11 N5 -","- C44 H44 N20 -","4","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0423","0.0295","","","0.0657","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017958","16.7686","0.0006","8.4646","0.0003","7.4464","0.0003","90","","99.093","0.001","90","","1043.66","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)]","","- C10 H8 Mn O6 -","- C10 H8 Mn O6 -","- C40 H32 Mn4 O24 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0197","0.0189","","","0.0514","0.0518","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017959","16.5936","0.0006","8.4438","0.0003","7.4838","0.0003","90","","97.649","0.002","90","","1039.25","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]","","- C10 H8 O6 Zn -","- C10 H8 O6 Zn -","- C40 H32 O24 Zn4 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0289","0.0222","","","0.0469","0.0487","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017960","8.779","0.0018","13.374","0.003","13.113","0.003","90","","101.99","0.03","90","","1506","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-bromido-bis[bromido(1-carboxymethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κ<i>N</i>^4^)(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] dihydrate","","- C16 H34 Br4 Cd2 N6 O10 -","- C16 H34 Br4 Cd2 N6 O10 -","- C32 H68 Br8 Cd4 N12 O20 -","2","0.5","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0612","0.0488","","","0.1119","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017961","7.343","0.002","16.254","0.005","12.85","0.004","90","","99.505","0.005","90","","1512.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquabromido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κ<i>N</i>^4^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II) monohydrate","","- C8 H18 Br Cd N5 O6 -","- C8 H18 Br Cd N5 O6 -","- C32 H72 Br4 Cd4 N20 O24 -","4","1","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0412","0.0352","","","0.1075","0.1232","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017962","9.0022","0.0002","11.2121","0.0004","13.8356","0.0004","90","","93.016","0.002","90","","1394.54","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C16 H24 Cl10 Cu4 N2 -","- C16 H24 Cl10 Cu4 N2 -","- C32 H48 Cl20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0489","0.0322","","","0.0705","0.0765","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017963","9.4742","0.0002","11.7845","0.0004","14.129","0.0004","90","","93.408","0.002","90","","1574.69","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C16 H24 Br10 Cu4 N2 -","- C16 H24 Br10 Cu4 N2 -","- C32 H48 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0718","0.0388","","","0.0817","0.0935","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017964","12.0358","0.0003","9.5125","0.0002","12.4133","0.0003","90","","105.756","0.001","90","","1367.81","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-methylpyridinium) hexa-μ~2~-bromido-tetrabromidotetracuprate(II)","","- C12 H16 Br10 Cu4 N2 -","- C12 H16 Br10 Cu4 N2 -","- C24 H32 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1026","0.0428","","","0.0769","0.0911","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017965","6.3969","0.0001","11.8734","0.0002","12.2699","0.0003","107.693","0.001","100.607","0.001","100.888","0.001","842.33","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(trimethylphenylammonium) hexa-μ~2~-bromido-tetrabromidocuprate(II)","","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0826","0.0453","","","0.0974","0.1128","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017966","6.363","0.0001","22.9814","0.0002","11.2713","0.0001","90","","91.205","0.001","90","","1647.85","0.03","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3-chloro-1-methylpyridinium) octa-μ~2~-chlorido-tetrachloridopentacuprate(II)","","- C12 H14 Br12 Cl2 Cu5 N2 -","- C12 H14 Br12 Cl2 Cu5 N2 -","- C24 H28 Br24 Cl4 Cu10 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0658","0.038","","","0.0838","0.0947","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017967","7.2353","0.0001","10.7361","0.0002","12.8913","0.0002","90.985","0.001","105.006","0.001","100.374","0.001","949.27","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(2-chloro-1-methylpyridinium) dodeca-μ~2~bromido-tetrabromidoheptacuprate(II)","","- C12 H14 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0681","0.0382","","","0.0846","0.0955","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017968","9.5112","0.0004","12.3581","0.0005","12.4617","0.0006","90","","91.502","0.003","90","","1464.25","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(3,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0652","0.0463","","","0.1352","0.1503","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017969","9.7548","0.0005","12.5783","0.0008","12.2179","0.0005","90","","96.459","0.003","90","","1489.61","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,3-dimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1223","0.0497","","","0.0921","0.1131","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017970","4.037","0.0001","22.3375","0.0006","15.8508","0.0003","90","","96.095","0.002","90","","1421.29","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0609","0.0447","","","0.1262","0.1376","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017971","9.084","0.004","26.311","0.01","2.8223","0.0011","90","","90","","90","","674.6","0.5","296","2","296","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Tetrasodium nonamanganese octadecaoxide","","- Mn9 Na4.32 O18 -","- Mn9 Na4.322 O18 -","- Mn18 Na8.644 O36 -","2","0.25","BI3006","Chu, Qingxin; Wang, Xiaofeng; Li, Qiliang; Liu, Xiaoyang","The tunnel manganese oxide Na~4.32~Mn~9~O~18~: a new Na^+^ site discovered by single-crystal X-ray diffraction","Acta Crystallographica Section C","2011","67","2","i10","i12","10.1107/S0108270110052856","","","0.71073","MoKα","","0.0441","0.0315","","","0.0632","0.0677","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017972","11.6765","0.001","12.4744","0.0008","26.024","0.002","90","","98.892","0.007","90","","3745","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-<i>tert</i>-Butylporphyrinato)copper(II)","","- C24 H20 Cu N4 -","- C24 H20 Cu N4 -","- C192 H160 Cu8 N32 -","8","2","DN3156","Senge, Mathias O.","(5-<i>tert</i>-Butylporphyrinato)copper(II), a nonplanar porphyrin with only one sterically demanding <i>meso</i> residue","Acta Crystallographica Section C","2011","67","2","m39","m42","10.1107/S0108270111000904","","","0.71073","MoKα","","0.0677","0.0479","","","0.1159","0.1229","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017973","10.7679","0.0017","8.5489","0.0014","11.4313","0.0018","90","","95.297","0.002","90","","1047.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","","- C8 H6 B F3 O4 W -","- C8 H6 B F3 O4 W -","- C32 H24 B4 F12 O16 W4 -","4","1","EG3068","Roll, Joachim; Tewes, Heiko; Castillo Soto, Eduardo; Oñate Rodríguez, Enrique","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","Acta Crystallographica Section C","2011","67","2","m43","m45","10.1107/S0108270111000631","","","0.71073","MoKα","","0.0234","0.0201","","","0.0425","0.0434","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017974","7.3326","0.0005","9.8832","0.0005","13.3922","0.0011","90","","90","","90","","970.53","0.11","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid","","- C11 H7 N O4 -","- C11 H7 N O4 -","- C44 H28 N4 O16 -","4","1","EM3036","Moreno-Fuquen, Rodolfo; Tenorio, Juan C.; Ellena, Javier; De Simone, Carlos A.; Ribeiro, Leandro","4-(2,5-Dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure","Acta Crystallographica Section C","2011","67","2","o67","o70","10.1107/S0108270111002265","","","0.71073","MoKα","","0.084","0.049","","","0.109","0.128","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017975","10.915","0.006","15.42","0.01","17.972","0.012","90","","115.945","0.002","90","","2720","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato- κ^2^<i>O</i>^5^,<i>O</i>^6^)bis[2-(2-pyridyl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)manganese(II) monohydrate","","- C29 H22 Mn N8 O5 -","- C29 H22 Mn N8 O5 -","- C116 H88 Mn4 N32 O20 -","4","1","FG3213","Ma, Cheng-Bing; Chen, Hui; Hu, Ming-Qiang; Chen, Chang-Neng","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^<i>O</i>^5^,<i>O</i>^6^)bis[2-(2-pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]manganese(II) monohydrate","Acta Crystallographica Section C","2011","67","2","m59","m61","10.1107/S0108270111002782","","","0.71073","MoKα","","0.0907","0.0654","","","0.1623","0.1822","","","","","","1.086","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017976","19.098","0.004","6.7985","0.0014","12.251","0.003","90","","111.85","0.03","90","","1476.4","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)]","","- C2 H3 Cd2 N3 O5 S -","- C2 H3 Cd2 N3 O5 S -","- C16 H24 Cd16 N24 O40 S8 -","8","1","FN3070","Liang, Qian; Pan, Tong-Hen; Huang, Chang-Cang","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)]: a cadmium‒triazolate coordination polymer with a pseudo-cubane-like tetranuclear cluster","Acta Crystallographica Section C","2011","67","2","m56","m58","10.1107/S0108270110052765","","","0.71073","MoKα","","0.0237","0.0228","","","0.0501","0.0506","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017977","17.0337","0.0006","18.0092","0.0005","7.355","0.0002","90","","109.651","0.002","90","","2124.84","0.11","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0261","0.0222","","","0.0573","0.0589","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017978","17.1082","0.0006","17.9456","0.0007","7.46654","0.00016","90","","109.701","0.002","90","","2158.17","0.13","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0391","0.0287","","","0.0697","0.0747","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017979","9.6848","0.0005","10.5107","0.0005","20.1765","0.0013","90","","90","","90","","2053.8","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-mannopyranoside","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","GD3372","Al-Mughaid, Hussein; Robertson, Katherine N.; Werner-Zwanziger, Ulrike; Lumsden, Michael D.; Cameron, T. Stanley; Grindley, T. Bruce","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2011","67","2","o60","o63","10.1107/S010827011005225X","","","0.7107","MoKα","","0.0411","0.0389","","","0.1104","0.1127","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017980","10.296","0.002","10.0793","0.0019","13.137","0.002","90","","96.646","0.014","90","","1354.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)","","- C34 H24 N2 S4 -","- C34 H24 N2 S4 -","- C68 H48 N4 S8 -","2","0.5","GG3251","Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher","1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)","Acta Crystallographica Section C","2011","67","2","o77","o79","10.1107/S0108270110053102","","","0.71073","MoKα","","0.0822","0.0522","","","0.0898","0.0988","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017981","4.7347","0.0001","18.1877","0.0007","18.1068","0.0006","90","","93.594","0.002","90","","1556.17","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,13,23-triazahexacyclo[14.7.0.0^2,10^.0^4,9^.0^11,15^.0^17,22^]tricosa- 1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dione","12,13-Dihydro-5<i>H</i>-indolo[2,3-<i>a</i>]pyrrolo[3,4-<i>c</i>]carbazole- 5,7(6<i>H</i>)-dione monohydrate","","- C20 H13 N3 O3 -","- C20 H13 N3 O3 -","- C80 H52 N12 O12 -","4","1","GT3028","Fernandes, José A.; Almeida Paz, Filipe A.; Marques, Joana; Marques, Maria P. M.; Braga, Susana S.","Arcyriaflavin A monohydrate","Acta Crystallographica Section C","2011","67","2","o57","o59","10.1107/S0108270110052741","","","0.71073","MoKα","","0.1123","0.0529","","","0.1186","0.1405","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017982","6.518","0.001","6.95","0.001","4.389","0.001","90","","90","","90","","198.82","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gadolinium ytterbium trifluoride","","- F3 Gd0.81 Yb0.19 -","- F3 Gd0.81 Yb0.19 -","- F12 Gd3.24 Yb0.76 -","4","0.5","KU3037","Vasyliev, Valentyn; Villora, Encarnacion G.; Nakamura, Masaru; Sato, Akira; Shimamura, Kiyoshi","Gadolinium ytterbium trifluoride, Gd~0.81~Yb~0.19~F~3~","Acta Crystallographica Section C","2011","67","2","i7","i9","10.1107/S0108270110049851","","","0.71073","MoKα","","0.0204","0.0197","","","0.0515","0.0519","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017983","7.7597","0.0016","8.4998","0.0017","10.641","0.002","70.98","0.03","87.9","0.03","70.32","0.03","622.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]- μ-oxalato]","","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","1","0.5","LG3047","Pan, Tong-Hen; Huang, Kun-Shan; Huang, Chong-En; Lai, Fu-Long; Huang, Chang-Cang","<i>catena</i>-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]-μ-oxalato]","Acta Crystallographica Section C","2011","67","2","m46","m49","10.1107/S0108270111001065","","","0.71073","MoKα","","0.0211","0.0209","","","0.0495","0.0497","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017984","12.4987","0.0019","6.6017","0.0006","11.3732","0.0018","90","","113.585","0.012","90","","860","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-Alaninium semioxalate monohydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","MX3041","Zakharov, Boris A.; Boldyreva, Elena V.","<small>DL</small>-Alaninium semi-oxalate monohydrate","Acta Crystallographica Section C","2011","67","2","o47","o51","10.1107/S0108270110053655","","","0.71073","MoKα","","0.0521","0.0371","","","0.0976","0.1041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017985","7.16","0.0015","11.688","0.003","17.514","0.004","90","","94.535","0.003","90","","1461.1","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,3<i>R</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0277","0.0268","","","0.071","0.0716","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017986","7.16","0.003","11.688","0.005","17.526","0.008","90","","94.57","0.007","90","","1462","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0329","0.0308","","","0.0735","0.0745","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017987","8.8218","0.0006","12.1304","0.0008","14.0031","0.0009","90","","90","","90","","1498.5","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>S</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0313","0.0297","","","0.0801","0.0813","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017988","8.8101","0.0006","12.1094","0.0008","13.9784","0.0009","90","","90","","90","","1491.29","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0304","0.0295","","","0.0821","0.0831","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017989","11.06","0.002","22.22","0.004","12.208","0.002","90","","95.87","0.03","90","","2984.4","0.9","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2- diol)-di-μ-sulfato-dicopper(II)]","","- C24 H32 Cu2 N4 O14 S2 -","- C24 H32 Cu2 N4 O14 S2 -","- C96 H128 Cu8 N16 O56 S8 -","4","0.5","SF3145","Zhong, Kai-Long; Chen, Li; Chen, Lin","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2-diol)di-μ-sulfato-dicopper(II)]","Acta Crystallographica Section C","2011","67","2","m62","m64","10.1107/S0108270110052558","","","0.71073","MoKα","","0.0556","0.0387","","","0.0864","0.0939","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017990","8.1296","0.0015","22.187","0.003","11.152","0.003","90","","102.222","0.018","90","","1965.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)- 1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H21 Br N4 O2 -","- C22 H21 Br N4 O2 -","- C88 H84 Br4 N16 O8 -","4","1","SK3398","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 2-(4-bromophenyl)-1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate: a hydrogen-bonded chain of edge-fused centrosymmetric rings","Acta Crystallographica Section C","2011","67","2","o64","o66","10.1107/S0108270110052911","","","0.71073","MoKα","","0.0783","0.0414","","","0.0716","0.0825","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017991","10.7944","0.0002","13.5205","0.0003","14.0573","0.0003","90","","104.238","0.0013","90","","1988.58","0.07","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","benzyl 4-(3-chloro-2-fluorophenyl)-2-methyl-5-oxo-4,5,6,7-tetrahydro- 1<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carboxylate","","- C23 H19 Cl F N O3 -","- C23 H19 Cl F N O3 -","- C92 H76 Cl4 F4 N4 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0781","0.0475","","","0.1139","0.1299","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017992","11.3696","0.0002","9.2177","0.0002","21.9577","0.0003","90","","92.5683","0.0011","90","","2298.89","0.07","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-pyridylmethyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5- oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C26 H24 F4 N2 O3 -","- C26 H24 F4 N2 O3 -","- C104 H96 F16 N8 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0758","0.0489","","","0.1152","0.1331","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017993","4.8272","0.0017","14.194","0.005","18.883","0.007","90","","91.472","0.007","90","","1293.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione) (<i>L</i>) and a novel [Ag~2~<i>L</i>~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.1097","0.0651","","","0.1409","0.1604","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017994","10.193","0.002","11.594","0.003","14.22","0.003","111.121","0.003","91.073","0.003","100.819","0.003","1532.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-1,1'-[(ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline- 2,3-dione)}disilver(I) bis(hexafluoridoantimonate)","","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","1","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione) (<i>L</i>) and a novel [Ag~2~<i>L</i>~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.0699","0.0525","","","0.1238","0.1342","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017995","9.4516","0.0007","12.5202","0.0012","7.502","0.0006","90","","101.559","0.004","90","","869.75","0.13","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinic acid hydrazide dihydrochloride","3-(azaniumylcarbamoyl)pyridinium dichloride","","- C6 H9 Cl2 N3 O -","- C6 H9 Cl2 N3 O -","- C24 H36 Cl8 N12 O4 -","4","1","UK3027","Kruszynski, Rafal","A structural and theoretical study of intermolecular interactions in nicotinohydrazide dihydrochloride","Acta Crystallographica Section C","2011","67","2","o52","o56","10.1107/S0108270110051644","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.0648","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017996","10.9848","0.0004","13.98","0.0004","13.9802","0.0004","105.649","0.0018","90.352","0.002","93.364","0.002","2063.22","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒2,2-difluoroethanol (2/3)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒2,2-difluoroethanol (2/3)","","- C40 H48 F8 N6 O9 -","- C40 H48 F8 N6 O9 -","- C80 H96 F16 N12 O18 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.7","synchrotron","","0.0812","0.0681","","","0.1907","0.2019","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017997","13.876","0.0012","15.876","0.0013","16.528","0.002","115.755","0.007","103.61","0.007","102.325","0.005","2972.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒water (3/14.5)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒water (3/14.5)","","- C51 H83 F3 N9 O23.5 -","- C51 H69 F3 N9 O23.5 -","- C102 H138 F6 N18 O47 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.71073","MoKα","","0.057","0.0425","","","0.1119","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017998","6.3823","0.0007","9.0629","0.0005","19.5457","0.0013","90","","90","","90","","1130.57","0.16","243","2","243","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-propylammonium benzoate","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0612","","","","0.1805","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017999","30.97","0.002","5.8832","0.0004","7.8239","0.0005","90","","99.825","0.002","90","","1404.63","0.16","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","benzylammonium (<i>R</i>)-2-phenylpropyl-1-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0352","","","","0.0861","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018000","8.8979","0.0009","12.0013","0.0008","16.0498","0.0015","100.213","0.005","103.102","0.003","90.652","0.005","1640.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(<i>RS</i>)-1-phenylethylammonium naphthalene-1-carboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0502","","","","0.1347","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018001","12.3249","0.0011","6.0804","0.0006","24.7669","0.0017","90","","95.526","0.005","90","","1847.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzylammonium benzoate‒benzoic acid (1/1)","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","0.1166","0.0445","","","0.0917","0.114","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018002","15.3307","0.001","6.3703","0.0003","17.9989","0.0011","90","","114.199","0.002","90","","1603.33","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclopropylammonium benzoate‒benzoic acid (1/1)","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0444","","","","0.11","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018003","10.2478","0.0004","9.6134","0.0004","23.8354","0.0009","90","","90","","90","","2348.17","0.16","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(cyclopropylammonium) <i>ea</i>-<i>cis</i>-cyclohexane-1,4-dicarboxylate‒ <i>ee</i>-<i>trans</i>-cyclohexane-1,4-dicarboxylic acid (1/1)","","- C22 H38 N2 O8 -","- C22 H38 N2 O8 -","- C88 H152 N8 O32 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0353","","","","0.094","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018004","6.7292","0.0016","6.8032","0.0016","19.193","0.005","89.875","0.004","86.747","0.005","84.726","0.004","873.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Cytosinium zoledronate trihydrate","4-amino-2-oxo- 2,3-dihydropyrimidin-1-ium 1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1-yl)ethylidenediphosphonate trihydrate","","- C9 H21 N5 O11 P2 -","- C9 H21 N5 O11 P2 -","- C18 H42 N10 O22 P4 -","2","1","DN3157","Sridhar, Balasubramanian; Ravikumar, Krishnan","Multiple hydrogen bonds in cytosinium zoledronate trihydrate","Acta Crystallographica Section C","2011","67","3","o115","o119","10.1107/S0108270111005191","","","0.71073","MoKα","","0.0649","0.0599","","","0.1398","0.1428","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018005","8.8428","0.0003","11.5331","0.0004","6.0539","0.0002","90","","98.712","0.002","90","","610.28","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) manganese(II) orthophosphate","","- Cu0.5 Mn2.5 O8 P2 -","- Cu0.5 Mn2.5 O8 P2 -","- Cu2 Mn10 O32 P8 -","4","1","FA3246","Bond, Andrew D.; Foghmoes, Søren P. V.; Warner, Terence E.","Copper(II) manganese(II) orthophosphate, Cu~0.5~Mn~2.5~(PO~4~)~2~","Acta Crystallographica Section C","2011","67","3","i21","i23","10.1107/S0108270110054156","","","0.71073","MoKα","","0.0202","0.0189","","","0.0493","0.0497","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018006","16.7421","0.0016","9.7941","0.0008","8.8898","0.0007","90","","93.69","0.02","90","","1454.7","0.2","200","2","200.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclopentanone","cyclopentan-1-one","","- C5 H8 O -","- C5 H8 O -","- C60 H96 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0442","0.0348","","","0.0917","0.099","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018007","15.5022","0.0016","9.0662","0.0009","8.6531","0.0007","90","","85.83","0.03","90","","1212.9","0.2","200","2","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclobutanone","cyclobutan-1-one","","- C4 H6 O -","- C4 H6 O -","- C48 H72 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0482","0.0389","","","0.1112","0.1206","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018008","9.4415","0.0004","9.4415","0.0004","9.1937","0.0008","90","","90","","120","","709.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ternary tetralanthanum trimagnesium tricontazinc","","- La4.27 Mg2.89 Zn30 -","- La4.274 Mg2.8908 Zn30 -","- La4.274 Mg2.8908 Zn30 -","1","0.0416667","FN3072","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","La~4.27~Mg~2.89~Zn~30~, a new structure type with strong positional disorder","Acta Crystallographica Section C","2011","67","3","i13","i16","10.1107/S0108270111002137","","","0.71073","MoKα","","0.0144","0.0132","","","0.048","0.0481","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018009","7.6785","0.0011","24.523","0.003","6.9265","0.001","90","","90","","90","","1304.3","0.3","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trilanthanum pentacopper heptaselenide","","- Cu4.88 La3 Se7 -","- Cu4.878 La3 Se7 -","- Cu19.512 La12 Se28 -","4","0.5","FN3073","Gulay, L. D.; Daszkiewicz, M.; Strok, O. M.; Pietraszko, A.","Disordered La~3~Cu~4.88~Se~7~","Acta Crystallographica Section C","2011","67","3","i24","i26","10.1107/S0108270111005889","","","0.71073","MoKα","","0.098","0.0407","","","0.0417","0.0514","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018010","19.6476","0.0012","5.2979","0.0003","26.3354","0.0016","90","","106.865","0.003","90","","2623.4","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-\ imidazo[1,2-<i>c</i>]pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate (1,<i>N</i>^6^-etheno-2'-deoxytubercidin hemihydrate","","- C26 H30 N8 O7 -","- C26 H30 N8 O7 -","- C104 H120 N32 O28 -","4","1","GD3377","Seela, Frank; Ding, Ping; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","Acta Crystallographica Section C","2011","67","3","o111","o114","10.1107/S0108270111005087","","","0.71073","MoKα","","0.0414","0.0386","","","0.1039","0.1059","","","","","","1.115","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018011","9.3772","0.0003","13.1249","0.0003","15.9198","0.0005","90","","103.085","0.003","90","","1908.45","0.1","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato- tetrapraseodymium(III)] dihydrate]","","- C22 H38 O28 Pr4 -","- C22 H38 O28 Pr4 -","- C44 H76 O56 Pr8 -","2","0.5","GD3378","Gutkowski, Karin; Freire, Eleonora; Baggio, Ricardo","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato-tetrapraseodymium(III)] dihydrate]","Acta Crystallographica Section C","2011","67","3","m77","m80","10.1107/S0108270111005403","","","0.71073","MoKα","","0.0302","0.0237","","","0.0548","0.0562","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018012","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[μ-hydroxido-μ~7~-(4-phosphonatobenzenesulfonato)-ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ3200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters","Acta Crystallographica Section C","2011","67","3","m73","m76","10.1107/S0108270111005105","","","0.71073","MoKα","","0.0322","0.0258","","","0.0683","0.0705","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018013","10.185","0.008","14.86","0.008","25.61","0.009","90","","90.87","0.02","90","","3876","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","panitite","sodium calcium magnesium tetrakis(phosphate)","","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca6 Mg50 Na32 O192 P48 -","4","1","KU3038","Jerbi, Hasna; Hidouri, Mourad; Rzeigui, Mohamed; Ben Amara, Mongi","Structure and ^31^P NMR spectroscopy of a new phosphate, Na~8~Ca~1.5~Mg~12.5~(PO~4~)~12~","Acta Crystallographica Section C","2011","67","3","i17","i20","10.1107/S0108270110054521","","","0.71073","MoKα","","0.0702","0.0508","","","0.1263","0.1328","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018014","8.4023","0.0014","9.4893","0.0015","15.21","0.003","87.02","0.004","83.192","0.004","77.714","0.004","1176.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-benzyl-2-[(7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]hydrazinecarbothioamide","1-benzyl-3-({7'-hydroxy-3,3-dimethylspiro[2-benzofuran-1,2'-chromene]-8'- ylmethylidene}amino)thiourea","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C54 H50 N6 O6 S2 -","2","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1334","0.0592","","","0.1202","0.1391","","","","","","1.154","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018015","8.591","0.002","17.272","0.005","17.569","0.005","90","","93.265","0.005","90","","2602.7","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>'-[(7-Hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]-4-methylbenzohydrazide acetone monosolvate","<i>N</i>'-{7'-hydroxy-3,3-dimethyl-3<i>H</i>-spiro[2-benzofuran-1,2'- chromene]-8'-ylmethylidene}-4-methylbenzohydrazide acetone monosolvate","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1015","0.0484","","","0.0807","0.0959","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018016","8.9276","0.0003","11.3625","0.0004","16.5006","0.0006","90","","94.456","0.001","90","","1668.76","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-Geodin","(2<i>R</i>)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro[benzofuran-2,1'- cyclohexa-2',5'-diene]-2'-carboxylate","","- C17 H12 Cl2 O7 -","- C17 H12 Cl2 O7 -","- C68 H48 Cl8 O28 -","4","2","LG3050","Rønnest, Mads H.; Nielsen, Morten T.; Leber, Blanka; Mortensen, Uffe H.; Krämer, Alwin; Clausen, Mads H.; Larsen, Thomas O.; Harris, Pernille","(+)-Geodin from <i>Aspergillus terreus</i>","Acta Crystallographica Section C","2011","67","3","o125","o128","10.1107/S0108270111005816","","","0.71073","MoKα","","0.0587","0.0527","","","0.1381","0.1454","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018017","9.199","0.0003","13.9977","0.0006","17.9153","0.0007","100.962","0.002","97.628","0.002","105.265","0.002","2143.78","0.15","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3<i>H</i>-inden-1-olate monohydrate","","- C56 H42 N4 O5 -","- C56 H42 N4 O5 -","- C112 H84 N8 O10 -","2","1","LN3147","Gainsford, Graeme J.; Ashraf, Mohamed; Bhuiyan, M. Delower H.; Kay, Andrew J.","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3<i>H</i>-inden-1-olate monohydrate","Acta Crystallographica Section C","2011","67","3","o107","o110","10.1107/S0108270111004951","","","0.71073","MoKα","","0.0509","0.0443","","","0.0941","0.0974","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018018","11.4071","0.0014","6.475","0.0008","16.961","0.002","90","","101.707","0.002","90","","1226.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQdiphenylmethoxy","(1<i>R</i>,3<i>S</i>)-6,7-dimethoxy-3-(methoxydiphenylmethyl)-1-phenyl- 1,2,3,4-tetrahydroisoquinoline","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.0528","0.0429","","","0.1025","0.1084","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018019","11.045","0.01","17.008","0.015","18.489","0.015","90","","105.287","0.015","90","","3350","5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-BenzylTIQdiphenyltrimethylsilyl","(1<i>R</i>,3<i>S</i>)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C40 H43 N O3 Si -","- C40 H43 N O3 Si -","- C160 H172 N4 O12 Si4 -","4","2","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.1025","0.0565","","","0.1072","0.1241","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018020","22.271","0.005","18.97","0.004","15.61","0.003","90","","132.79","0.03","90","","4840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[<i>P</i>,<i>P</i>-di-<i>tert</i>-butyl-<i>N</i>-(di-<i>tert</i>- butylphosphorothioyl)phosphinimidothioato-κ<i>S</i>]sulfur(II) toluene solvate","5,13-dibutyl-7,7,11,11-tetramethyl-8,9,10-trithia-6,12-diaza-5λ^5^,7λ^5^- diphospha-11λ^5^-phospha-13λ^5^-phosphaheptadeca-6,11-diene-5,13-dithione toluene solvate","","- C39 H80 N2 P4 S5 -","- C39 H80 N2 P4 S5 -","- C156 H320 N8 P16 S20 -","4","0.5","SF3147","Ritch, Jamie S.; Chivers, Tristram","A sulfur(II) complex of a dithioimidodiphosphinate","Acta Crystallographica Section C","2011","67","3","o89","o91","10.1107/S0108270111003064","","","0.71073","MoKα","","0.1099","0.0517","","","0.1008","0.1217","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018021","7.2966","0.0015","11.184","0.002","12.004","0.002","112.99","0.03","90.67","0.03","97.44","0.03","892.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)bismuthate(III)] dihydrate","","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0268","0.0244","","","0.062","0.0634","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018022","7.2615","0.0015","11.21","0.002","12.014","0.002","112.96","0.03","90.79","0.03","97.33","0.03","891","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)nickelate(III)] dihydrate","","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0263","0.0212","","","0.0477","0.0502","","","","","","1.055","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018023","14.163","0.0005","17.5777","0.0006","11.2915","0.0004","90","","104.595","0.002","90","","2720.34","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi(4,4'-bipyridinium) tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C40 H26 Cl6 N2 O18 S6 U2 -","- C40 H26 Cl6 N2 O18 S6 U2 -","- C80 H52 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0927","0.0373","","","0.0713","0.087","","","","","","0.994","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018024","14.5189","0.0002","18.1169","0.0003","11.1399","0.0002","90","","97.123","0.001","90","","2907.6","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi[4,4'-(ethane-1,2-diyl)dipyridinium]tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C42 H30 Cl6 N2 O18 S6 U2 -","- C42 H30 Cl6 N2 O18 S6 U2 -","- C84 H60 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0801","0.0399","","","0.0854","0.0984","","","","","","1.007","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018025","11.4692","0.0005","11.8976","0.0005","15.1818","0.0007","92.261","0.003","109.043","0.003","112.911","0.003","1770.51","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(Aqua-2κ<i>O</i>)bis(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>'){μ-<i>N</i>- [3-(dimethylamino)propyl]-<i>N</i>'-(2-oxidophenyl)oxamidato(3-)- 1:2κ^2^<i>O</i>,<i>O</i>':κ^4^<i>O</i>'',<i>N</i>,<i>N</i>',<i>N</i>''} copper(II)nickel(II) perchlorate","","- C33 H34 Cl Cu N7 Ni O8 -","- C33 H34 Cl Cu N7 Ni O8 -","- C66 H68 Cl2 Cu2 N14 Ni2 O16 -","2","1","BG3135","Yue, Xi-Teng; Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","(Aqua-2κ<i>O</i>)bis(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>'){μ-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-(2-oxidophenyl)oxamidato(3{-})-1:2κ^2^<i>O</i>,<i>O</i>':κ^4^<i>O</i>'',<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)nickel(II) perchlorate","Acta Crystallographica Section C","2011","67","4","m115","m118","10.1107/S0108270111008705","","","0.71073","MoKα","","0.0992","0.0491","","","0.1104","0.131","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018026","9.934","0.002","10.069","0.002","11.627","0.002","68.146","0.003","88.758","0.003","62.741","0.003","943.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol- 2-yl}phenolato)bis[(acetylacetonato)copper(II)]","","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","1","0.5","BM3100","Xiao, Jing; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}phenolato)bis[(acetylacetonato)copper(II)]: a novel binuclear metallocycle","Acta Crystallographica Section C","2011","67","4","m90","m92","10.1107/S0108270111006640","","","0.71073","MoKα","","0.0601","0.0488","","","0.1161","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018027","14.2694","0.0008","16.5639","0.0008","7.2237","0.0004","90","","90","","90","","1707.37","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","","- C18 H20 O10 -","- C18 H20 O10 -","- C72 H80 O40 -","4","0.5","EG3069","Thébault, Frédéric; Öhrström, Lars; Haukka, Matti","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks","Acta Crystallographica Section C","2011","67","4","o143","o145","10.1107/S0108270111002988","","","0.71073","MoKα","","0.1028","0.0495","","","0.1075","0.1298","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018028","17.45","0.01","15.48","0.008","12.636","0.007","90","","118.545","0.007","90","","2998","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1<i>H</i>-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cadmium(II)] dihydrate]","","- C30 H30 Cd N4 O8 -","- C30 H30 Cd N4 O8 -","- C120 H120 Cd4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0628","0.0397","","","0.0876","0.097","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018029","17.612","0.003","14.896","0.003","12.711","0.003","90","","119.724","0.003","90","","2895.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1<i>H</i>-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cobalt(II)] dihydrate]","","- C30 H30 Co N4 O8 -","- C30 H30 Co N4 O8 -","- C120 H120 Co4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0748","0.0523","","","0.1175","0.1271","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018030","4.6886","0.0001","14.4501","0.0003","34.788","0.0007","90","","90","","90","","2356.91","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C72 H152 N8 O56 -","8","2","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0525","0.0425","","","0.1045","0.1105","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018031","4.5374","0.0005","15.8837","0.0016","6.8993","0.0007","90","","100.185","0.004","90","","489.4","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-formamido-2-deoxy-β-D-glucopyranoside","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C16 H30 N2 O12 -","2","1","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0271","0.0271","","","0.0703","0.0703","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018032","6.2597","0.0006","10.482","0.0011","6.4281","0.0006","90","","98.134","0.004","90","","417.53","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-dibromo-2,5-dimethylbenzene","","- C8 H8 Br2 -","- C8 H8 Br2 -","- C16 H16 Br4 -","2","0.5","GD3380","Jones, Peter G.; Kuś, Piotr","A new polymorph of 1,4-dibromo-2,5-dimethylbenzene: H···Br and Br···π <i>versus</i> Br···Br interactions","Acta Crystallographica Section C","2011","67","4","o131","o133","10.1107/S0108270111008742","","","0.71073","MoKα","","0.0198","0.0187","","","0.0504","0.0508","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018033","7.7841","0.0002","16.3043","0.0004","18.2533","0.0004","90","","93.884","0.001","90","","2311.28","0.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[4'-(4-bromophenyl)-2,2':6',2''- terpyridine]chlorido(trifluoromethanesulfonato)copper(II)","","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C88 H56 Br4 Cl4 Cu4 F12 N12 O12 S4 -","4","1","GG3247","Chenneberg, Ludwig; Ferreira, Janaina G.; Hanan, Garry S.","Supramolecular interactions in a copper(II) 4'-(4-bromophenyl)-2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2011","67","4","m81","m84","10.1107/S0108270111004641","","","1.54178","CuKα","","0.0276","0.0256","","","0.0719","0.0731","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018034","9.7061","0.0015","17.855","0.003","10.4555","0.0016","90","","90","","90","","1812","0.5","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","<i>tert</i>-butylarsenium(V) tri-μ-chlorido-bis[trichloridotitanium(IV)]","","- C4 H12 As Cl9 Ti2 -","- C4 H12 As Cl9 Ti2 -","- C16 H48 As4 Cl36 Ti8 -","4","0.5","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0638","0.0407","","","0.0766","0.0809","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018035","10.4991","0.0002","10.7921","0.0003","21.5971","0.0006","81.21","0.001","83.017","0.002","67.448","0.001","2228.12","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis[bromidotriphenylarsenium(V)] di-μ-bromido-μ-oxido-bis[tribromidotitanium(IV)]","","- C36 H30 As2 Br10 O Ti2 -","- C36 H30 As2 Br10 O Ti2 -","- C72 H60 As4 Br20 O2 Ti4 -","2","1","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0788","0.05","","","0.0896","0.1011","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018036","5.0936","0.0008","9.832","0.0013","12.8114","0.0014","73.952","0.001","78.679","0.001","83.706","0.002","603.55","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","1","0.5","GT3029","Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Ma, De-Yun","<i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","Acta Crystallographica Section C","2011","67","4","m105","m107","10.1107/S0108270111008869","","","0.71073","MoKα","","0.0475","0.0411","","","0.1056","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018037","6.8506","0.0001","10.521","0.001","12.6995","0.0002","90","","98.773","0.002","90","","904.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C16 H16 Cr4 O40 Rb4 -","4","1","JZ3199","Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]: a new supramolecular isomer","Acta Crystallographica Section C","2011","67","4","m85","m89","10.1107/S0108270111005646","","","0.71073","MoKα","","0.0198","0.0163","","","0.0432","0.0438","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018038","11.6024","0.0006","14.0371","0.0007","17.202","0.0009","90","","126.97","0.001","90","","2238.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","","- C32 H68 Cu4 N4 O16 -","- C32 H68 Cu4 N4 O16 -","- C64 H136 Cu8 N8 O32 -","2","0.5","JZ3201","Klein, Johannes E. M. N.; Thatcher, Robert J.; Whitwood, Adrian C.; Taylor, Richard J. K.","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","Acta Crystallographica Section C","2011","67","4","m108","m110","10.1107/S0108270111007918","","","0.71073","MoKα","","0.0269","0.0239","","","0.0652","0.0671","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018039","18.604","0.004","5.5723","0.0006","11.27","0.002","90","","124.192","0.013","90","","966.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-cysteinium semioxalate","L-cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","KU3041","Minkov, Vasily S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate: a new monoclinic polymorph or a hydrate?","Acta Crystallographica Section C","2011","67","4","o139","o142","10.1107/S0108270111009760","","","0.71073","MoKα","","0.0565","0.0357","","","0.082","0.0926","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018040","19.0103","0.0009","15.7378","0.0007","7.6394","0.0004","90","","90","","90","","2285.56","0.19","220","2","220","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","0.5","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0536","0.0385","","","0.0951","0.1051","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018041","18.9529","0.0009","15.7268","0.0008","7.4934","0.0004","90","","90","","90","","2233.5","0.2","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","1","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0269","0.0234","","","0.0441","0.045","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018042","9.1971","0.0006","9.8999","0.0006","11.0409","0.0007","90","","113.223","0.0009","90","","923.83","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu296","<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)‒ <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (5/1)","","- C20 H22 Cu0.83 O4 Pd0.17 -","- C20 H22 Cu0.834 O4 Pd0.166 -","- C40 H44 Cu1.668 O8 Pd0.332 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","<i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0289","0.0225","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018043","9.1703","0.0012","9.8475","0.0012","10.985","0.0014","90","","112.681","0.0019","90","","915.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu369","<i>trans</i>-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (3/2)","","- C20 H22 Cu0.6 O4 Pd0.4 -","- C20 H22 Cu0.601 O4 Pd0.399 -","- C40 H44 Cu1.202 O8 Pd0.798 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","<i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0243","0.0187","","","0.044","0.0462","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018044","12.9108","0.0008","10.5408","0.0005","10.3022","0.0007","90","","94.016","0.006","90","","1398.59","0.15","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,4-Dioxan-2-yl)diphenylmethanol","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","OV3002","Hsiao, Tomi; Buchanan, Robert M.; Mashuta, Mark S.","Racemic (1,4-dioxan-2-yl)diphenylmethanol","Acta Crystallographica Section C","2011","67","4","o129","o130","10.1107/S0108270111008419","","","1.5418","CuKα","","0.0356","0.0299","","","0.0681","0.0704","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018045","24.458","0.005","13.672","0.003","16.588","0.003","90","","118.07","0.03","90","","4894","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-<i>N</i>,<i>N</i>'-bis(quinolin-8-yl)pyridine-2,6- dicarboxamido]dizinc(II) dichloromethane disolvate","","- C52 H34 Cl4 N10 O4 Zn2 -","- C52 H34 Cl4 N10 O4 Zn2 -","- C208 H136 Cl16 N40 O16 Zn8 -","4","0.5","SF3146","Xu, Hui-Hua; Tao, Xian; Li, Yue-Qin; Shen, Ying-Zhong; Wei, Yan-Hong","Bis[μ-<i>N</i>,<i>N</i>'-bis(quinolin-8-yl)pyridine-2,6-dicarboxamido]dizinc(II) dichloromethane disolvate","Acta Crystallographica Section C","2011","67","4","m93","m95","10.1107/S0108270111006974","","","0.71073","MoKα","","0.0943","0.0531","","","0.1154","0.1334","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018046","6.8003","0.0003","11.3961","0.0005","16.1548","0.0007","90","","92.968","0.002","90","","1250.27","0.09","87","2","87","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pipzH2(2+)cdo(2-).H2O","piperazine-1,4-diium 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylate monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0387","0.035","","","0.0966","0.0989","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018047","6.788","0.0003","8.065","0.0004","8.5675","0.0004","90.377","0.002","94.11","0.002","104.538","0.003","452.7","0.04","87","2","87","2","","","","","","","","4","P -1","-P 1","2","(pipH~2~)(cdoH)~2~","piperazine-1,4-diium bis(6-carboxy-4-oxo-4<i>H</i>-pyran-2-carboxylate)","","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","1","0.5","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0328","0.0313","","","0.0909","0.0923","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018048","10.5173","0.0002","17.5635","0.0003","19.4889","0.0004","90","","104.878","0.002","90","","3479.31","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C92 H168 B4 N28 S32 W8 -","4","1","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with <i>Z</i>' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.0501","0.0364","","","0.0944","0.0977","","","","","","1.09","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018049","17.8602","0.001","18.8742","0.001","20.6188","0.001","90","","90.343","0.005","90","","6950.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C184 H336 B8 N56 S64 W16 -","8","2","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with <i>Z</i>' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.1375","0.0662","","","0.1475","0.1711","","","","","","0.972","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018050","9.5909","0.0001","9.5909","0.0001","33.2924","0.0009","90","","90","","90","","3062.41","0.09","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2- phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","","- C32 H46 Cl2 P2 Pt -","- C32 H46 Cl2 P2 Pt -","- C128 H184 Cl8 P8 Pt4 -","4","0.5","BI3013","Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2011","67","5","m154","m156","10.1107/S0108270111013242","","","0.71073","MoKα","","0.0553","0.042","","","0.0645","0.0674","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:00",""
"2018051","6.9357","0.0007","7.3036","0.0007","8.8768","0.0008","73.295","0.001","82.707","0.001","88.071","0.001","427.2","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0496","0.0418","","","0.101","0.106","","","","","","1.08","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018052","6.567","0.001","5.0227","0.0007","26.723","0.005","90","","102.558","0.004","90","","860.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C40 H28 N8 O8 -","2","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0677","0.0398","","","0.0927","0.1057","","","","","","1.016","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018053","9.5741","0.001","9.9089","0.0011","11.3324","0.0012","99.957","0.006","90.886","0.007","116.562","0.006","941.87","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Benzyladeninium p-toluene sulfonate","6-benzylamino-7<i>H</i>-purin-3-ium <i>p</i>-toluenesulfonate","","- C19 H19 N5 O3 S -","- C19 H19 N5 O3 S -","- C38 H38 N10 O6 S2 -","2","1","BM3103","Tamilselvi, Duraisamy; Muthiah, P. Thomas","Supramolecular patterns in benzyladeninium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","2011","67","5","o192","o194","10.1107/S0108270111013424","","","0.71073","MoKα","","0.1199","0.0584","","","0.1702","0.2104","","","","","","0.97","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018054","26.7321","0.0005","26.7321","0.0005","10.87","0.0003","90","","90","","120","","6727.1","0.3","100","1","100","1","","","","","","","","3","R -3 :H","-R 3","148","racemic guest-free Dianin's compound","4-(4-hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.039","0.0371","","","0.1227","0.1261","","","","","","1.002","","","","has coordinates,has Fobs","288599","2024-01-02","06:49:37",""
"2018055","10.23394","0.00011","10.25106","0.0001","13.47563","0.00013","90","","90","","90","","1413.71","0.02","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dianin's amine","<i>(R)</i>-4-(4-Aminophenyl)-2,2,4-trimethylchroman","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0265","0.0264","","","0.0713","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018056","10.6043","0.0006","10.4104","0.0005","13.4126","0.0006","90","","90","","90","","1480.68","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Thiadianin's amine","<i>(S)</i>-4-(4-Aminophenyl)-2,2,4-trimethylthiachroman","","- C18 H21 N S -","- C18 H21 N S -","- C72 H84 N4 S4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0276","0.0272","","","0.0693","0.0697","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018057","11.298","0.002","11.346","0.002","18.391","0.003","101.66","0.01","93.46","0.01","115.55","0.01","2053.8","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","di-μ-iodido-1:1'κ^4^<i>I</i>-bis[tri-μ~3~-imido-1:2:3κ^3^<i>N</i>; 1:2:4κ^3^<i>N</i>;1:3:4κ^3^<i>N</i>-μ~3~-nitrido-2:3:4κ^3^<i>N</i>- tris[2,3,4(η^5^)-pentamethylcyclopentadienyl](pyridine-1κ<i>N</i>)- <i>tetrahedro</i>-potassiumtrititanium(IV)]","","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","1","0.5","DT3001","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","A new double-cube nitride complex containing titanium and potassium","Acta Crystallographica Section C","2011","67","5","m157","m159","10.1107/S0108270111012686","","","0.71073","MoKα","","0.0895","0.047","","","0.1053","0.1192","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018058","13.128","0.003","9.493","0.003","15.412","0.004","90","","113.57","0.03","90","","1760.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate","","- C14 H32 N8 O8 Re S10 -","- C14 H32 N8 O8 Re S10 -","- C28 H64 N16 O16 Re2 S20 -","2","0.5","FA3250","Kochel, Andrzej; Hołyńska, Małgorzata","Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate","Acta Crystallographica Section C","2011","67","5","m134","m136","10.1107/S0108270111010535","","","0.71073","MoKα","","0.0318","0.0233","","","0.0555","0.0571","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018059","6.7195","0.0005","7.1118","0.0004","19.2802","0.0012","80.061","0.005","81.798","0.006","83.04","0.006","893.83","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","sodium bis(6-carboxy-1-hydroxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium","","- C16 H15 B2 Na O13 -","- C16 H15 B2 Na O13 -","- C32 H30 B4 Na2 O26 -","2","1","FN3076","Simmons, Scott; Fratini, Albert; Benin, Vladimir","A sodium salt of the dimer of boronoterephthalic acid anhydride","Acta Crystallographica Section C","2011","67","5","m123","m125","10.1107/S0108270111008195","","","1.54178","CuKα","","0.0597","0.0456","","","0.1035","0.1114","","","","","","1.06","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018060","9.4999","0.0015","11.9323","0.0019","15.247","0.003","88.658","0.003","76.925","0.003","89.38","0.003","1683","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol","","- C38 H48 N O P -","- C38 H48 N O P -","- C76 H96 N2 O2 P2 -","2","1","FN3077","Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook","Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol","Acta Crystallographica Section C","2011","67","5","o151","o153","","","","0.71073","MoKα","","0.1221","0.053","","","0.1272","0.1598","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"2018061","9.808","0.004","6.555","0.003","22.018","0.009","90","","93.259","0.004","90","","1413.3","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-(2-phenoxyethoxy)phthalonitrile","4-Chloro-5-(2-phenoxyethoxy)benzene-1,2-dicarbonitrile","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.043","0.0345","","","0.0821","0.0874","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018062","5.8272","0.0013","13.319","0.003","19.38","0.004","90","","96.544","0.002","90","","1494.3","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H6 Cl F5 N2 O2 -","- C16 H6 Cl F5 N2 O2 -","- C64 H24 Cl4 F20 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.0425","0.0336","","","0.0821","0.0876","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018063","9.655","0.004","10.017","0.004","10.68","0.004","107.082","0.005","90.384","0.006","118.537","0.005","854","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)nickel(II) tetrahydrate","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]nickel(II) tetrahydrate","","- C28 H38 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0383","0.0354","","","0.0952","0.0973","","","","","","1.094","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018064","9.651","0.002","10.045","0.002","10.661","0.002","107.4","0.004","90.371","0.004","118.019","0.003","857.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)cobalt(II) tetrahydrate","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]cobalt(II) tetrahydrate","","- C28 H38 Co N12 O14 -","- C28 H34 Co N12 O14 -","- C28 H34 Co N12 O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0766","0.0508","","","0.1123","0.1263","","","","","","0.996","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018065","8.15051","0.00015","17.4091","0.0003","19.7447","0.0004","90","","90","","90","","2801.64","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","","- C26 H24 Cu2 N6 O11 -","- C26 H24 Cu2 N6 O11 -","- C104 H96 Cu8 N24 O44 -","4","1","GG3255","Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","Acta Crystallographica Section C","2011","67","5","m130","m133","10.1107/S0108270111011048","","","0.71073","MoKα","","0.0427","0.0292","","","0.0527","0.0542","","","","","","0.911","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018066","9.436","0.005","12.978","0.005","18.091","0.005","107.903","0.005","96.269","0.005","95.225","0.005","2077.3","1.5","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)iridium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 Ir O P2 -","- C46 H40 Cl3 Fe2 Ir O P2 -","- C92 H80 Cl6 Fe4 Ir2 O2 P4 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71069","MoKα","","0.0987","0.0475","","","0.0938","0.1064","","","","","","0.913","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018067","9.452","0.0019","12.989","0.003","18.067","0.004","108.05","0.03","96.38","0.03","95.21","0.03","2077.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)rhodium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 O P2 Rh -","- C46 H40 Cl3 Fe2 O P2 Rh -","- C92 H80 Cl6 Fe4 O2 P4 Rh2 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71073","MoKα","","0.0949","0.0496","","","0.1177","0.1311","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018068","11.736","0.003","6.801","0.0016","12.793","0.003","90","","102.686","0.002","90","","996.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)]","","- Dy2 H4 O12 S3 -","- Dy2 H4 O12 S3 -","- Dy8 H16 O48 S12 -","4","0.5","KU3040","Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su","Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound","Acta Crystallographica Section C","2011","67","5","i27","i29","10.1107/S0108270111009048","","","0.71073","MoKα","","0.0264","0.022","","","0.0471","0.0487","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018069","9.4744","0.0012","9.5803","0.0012","19.145","0.002","90","","90","","90","","1737.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]","","- C12 H20 In Na O12 -","- C12 H20 In Na O12 -","- C48 H80 In4 Na4 O48 -","4","1","LG3055","Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan","Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)]","Acta Crystallographica Section C","2011","67","5","m145","m148","10.1107/S0108270111013606","","","0.71073","MoKα","","0.0378","0.0285","","","0.0532","0.0568","","","","","","1.022","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018070","7.064","0.002","8.475","0.004","13.966","0.006","102.48","0.03","92.58","0.03","99.96","0.03","801.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt monohydrate","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate monohydrate","","- C11 H26 N O7 P -","- C11 H26 N O7 P -","- C22 H52 N2 O14 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0453","0.0341","","","0.091","0.0942","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018071","6.678","0.002","8.877","0.002","24.93","0.006","90","","90","","90","","1477.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate","","- C11 H24 N O6 P -","- C11 H24 N O6 P -","- C44 H96 N4 O24 P4 -","4","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","1.5418","CuKα","","0.0632","0.0371","","","0.055","0.0596","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018072","6.859","0.002","7.114","0.003","8.939","0.003","89.13","0.03","76","0.03","81.18","0.03","418.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinane-2-ol","","- C5 H11 O6 P -","- C5 H11 O6 P -","- C10 H22 O12 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0349","0.0304","","","0.0843","0.0861","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018073","8.2526","0.0003","11.9486","0.0004","32.1865","0.001","90","","90","","90","","3173.81","0.19","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","5-amino-8-(2,3,5-tri-<i>O</i>-benzoyl-β-D-ribofuranosyl)pyrimido[4,5- <i>d</i>]pyrimidine-2,4(3<i>H</i>,8<i>H</i>)-dione methanol monosolvate","","- C33 H29 N5 O10 -","- C33 H29 N5 O10 -","- C132 H116 N20 O40 -","4","1","QS3001","Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang","A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure","Acta Crystallographica Section C","2011","67","5","o175","o178","10.1107/S0108270111011383","","","0.7107","MoKα","","0.0633","0.0384","","","0.086","0.0928","","","","","","0.912","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018074","11.281","0.003","6.336","0.002","16.278","0.005","90","","102.676","0.008","90","","1135.1","0.6","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferric sulfate trihydrate","diiron(III) trisulfate trihydrate","","- Fe2 H6 O15 S3 -","- Fe2 H6 O15 S3 -","- Fe8 H24 O60 S12 -","4","1","QS3002","Xu, Wenqian; Parise, John B.","Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt","Acta Crystallographica Section C","2011","67","5","i30","i32","10.1107/S0108270111012273","","","0.71073","MoKα","","0.0356","0.0278","","","0.0798","0.0842","","","","","","1.047","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018075","9.8072","0.0005","17.1235","0.0009","14.6837","0.0006","90","","129.866","0.002","90","","1892.68","0.17","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol- 1-yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C72 H80 Cd4 N24 O16 -","4","1","QS3003","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing","A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]","Acta Crystallographica Section C","2011","67","5","m137","m139","10.1107/S0108270111011413","","","0.71073","MoKα","","0.0283","0.0235","","","0.0581","0.0604","","","","","","0.9","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018076","13.3928","0.0014","5.1432","0.0005","14.6577","0.0015","90","","112.646","0.0006","90","","931.81","0.16","298","","298","","101.3","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Benzoylsulfanyl)acetic acid","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C36 H32 O12 S4 -","4","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.1","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018077","6.51605","0.00007","8.52612","0.00009","12.9191","0.00011","84.3274","0.0006","80.5788","0.0006","69.19","0.0004","661.225","0.012","298","","298","","","","","","","","","5","P -1","-P 1","2","","2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C26 H22 N2 O10 S2 -","2","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018078","6.0318","0.0009","8.3396","0.001","25.361","0.004","90","","90","","90","","1275.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>- 1-benzazepin-4-ol","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","SK3404","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2011","67","5","o157","o160","10.1107/S010827011101016X","","","0.71073","MoKα","","0.05","0.0347","","","0.0768","0.0855","","","","","","1.114","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018079","7.715","0.0009","9.7229","0.0007","7.4514","0.0008","90","","114.453","0.008","90","","508.81","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diaminopyrimidin-4-one","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0482","0.0379","","","0.0883","0.0921","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018080","7.4417","0.0006","25.3217","0.0018","9.8578","0.0007","90","","108.476","0.006","90","","1761.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyrimidin-4-one dimethylformamide solvate hydrate (3/4/1)","","- C8 H16 N5.33 O2.67 -","- C8 H16 N5.33333 O2.66667 -","- C48 H96 N32 O16 -","6","3","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0558","0.0399","","","0.0809","0.0853","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018081","19.1494","0.0013","7.8704","0.0004","14.9104","0.0011","90","","104.868","0.006","90","","2172","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6-diaminopyrimidin-4-one dimethylacetamide solvate (1/1)","","- C8 H15 N5 O2 -","- C8 H15 N5 O2 -","- C64 H120 N40 O16 -","8","2","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0505","0.0474","","","0.1232","0.1257","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018082","8.455","0.0009","10.0803","0.0009","17.0735","0.0015","75.558","0.007","78.222","0.008","81.363","0.008","1371.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4-one <i>N</i>-methyl-2-pyrrolidone solvate (3/2)","","- C23 H39 N11 O5 -","- C23 H39 N11 O5 -","- C46 H78 N22 O10 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1051","0.0555","","","0.1137","0.1266","","","","","","0.911","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2018083","7.8763","0.0013","9.6078","0.0017","12.3115","0.0019","108.78","0.013","95.194","0.013","99.959","0.013","858","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one‒dimethylacetamide (1/1/1)","","- C14 H23 N7 O3 -","- C14 H23 N7 O3 -","- C28 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1331","0.0678","","","0.1797","0.2043","","","","","","0.819","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018084","7.3321","0.0007","9.8805","0.0009","12.586","0.0012","102.835","0.007","98.83","0.008","91.555","0.008","876.7","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3<i>H</i>)-one–2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one–<i>N</i>-methyl-2-pyrrolidone (1/1/1)","","- C15 H23 N7 O3 -","- C15 H23 N7 O3 -","- C30 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1071","0.0678","","","0.1573","0.1756","","","","","","0.815","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018085","12.0882","0.0006","25.1607","0.0013","15.8103","0.0008","90","","108.879","0.001","90","","4550","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-dichlorido-<i>trans</i>-dimethyl-<i>cis</i>- bis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)tin(IV)","","- C38 H78 Cl2 N6 O2 P2 Sn -","- C38 H78 Cl2 N6 O2 P2 Sn -","- C152 H312 Cl8 N24 O8 P8 Sn4 -","4","1","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0302","0.0244","","","0.0736","0.0798","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018086","15.4495","0.0012","18.6924","0.0014","16.5229","0.0012","90","","116.656","0.001","90","","4264.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-diaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)copper(II) dinitrate– <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/2)","","- C72 H148 Cu N14 O12 P4 -","- C72 H148 Cu N14 O12 P4 -","- C144 H296 Cu2 N28 O24 P8 -","2","0.5","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0658","0.0432","","","0.0956","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018087","11.2894","0.0017","13.539","0.002","13.606","0.002","73.915","0.013","78.438","0.014","74.41","0.012","1906.8","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] 4.5-hydrate","","- C30 H35 Cu2 N6 O18.5 P4 -","- C30 H35 Cu2 N6 O18.5 P4 -","- C60 H70 Cu4 N12 O37 P8 -","2","1","SQ3286","Perec, Mireille; Baggio, Ricardo","Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate","Acta Crystallographica Section C","2011","67","5","m140","m144","10.1107/S0108270111012121","","","0.71073","MoKα","","0.0731","0.0354","","","0.0904","0.1011","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018088","10.6623","0.0008","25.395","0.002","7.4167","0.0005","90","","90","","90","","2008.2","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","WQ3001","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif","Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy","Acta Crystallographica Section C","2011","67","5","m126","m129","10.1107/S0108270111012297","","","0.7107","MoKα","","0.0762","0.066","","0.143","0.127","0.143","","","","","","0.924","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018089","12.5606","0.0007","8.0425","0.0005","13.9139","0.0008","90","","102.002","0.003","90","","1374.84","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cholic acid‒pentan-3-one (1/1)","","- C29 H50 O6 -","- C29 H50 O6 -","- C58 H100 O12 -","2","1","BI3016","Kalf, Irmgard; Englert, Ulli","The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate","Acta Crystallographica Section C","2011","67","6","o206","o208","10.1107/S0108270111016933","","","0.71073","MoKα","","0.1284","0.0805","","","0.177","0.1998","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018090","11.034","0.003","11.741","0.004","12.818","0.003","63.883","0.007","66.841","0.01","86.82","0.013","1356.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","BI3018","Zhai, Jun; Xu, Li","The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate","Acta Crystallographica Section C","2011","67","6","m202","m204","10.1107/S0108270111018233","","","0.71073","MoKα","","0.0838","0.0475","","","0.104","0.1202","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018091","15.4606","0.0004","9.2495","0.0003","8.4159","0.0002","90","","104.27","0.002","90","","1166.36","0.06","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0309","0.0266","","","0.0652","0.0673","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018092","15.6883","0.0019","9.2405","0.001","8.5073","0.001","90","","103.521","0.009","90","","1199.1","0.2","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0558","0.0421","","","0.1001","0.1118","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018093","15.1429","0.0004","8.8854","0.0002","8.5918","0.0002","90","","104.262","0.002","90","","1120.4","0.05","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C28 H48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0328","0.0259","","","0.0586","0.0616","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018094","15.3144","0.0004","8.8708","0.0002","8.7761","0.0002","90","","103.967","0.002","90","","1156.99","0.05","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12.12 Cl3 Cu N O -","- C28 H48.48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0398","0.0327","","","0.0858","0.0901","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018095","8.8088","0.0004","8.7803","0.0004","8.757","0.0004","74.101","0.003","76.513","0.004","59.895","0.007","559.77","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0497","0.0459","","","0.1214","0.1235","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018096","8.8369","0.0004","8.8282","0.0004","8.941","0.0004","74.628","0.003","77.056","0.004","59.517","0.007","576.23","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0531","0.0441","","","0.1211","0.1275","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018097","10.1958","0.0003","7.608","0.0003","16.3281","0.0005","90","","102.927","0.002","90","","1234.46","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0526","0.0356","","","0.0746","0.0811","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018098","10.3459","0.0002","7.6409","0.0002","16.5616","0.0004","90","","103.746","0.002","90","","1271.73","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0411","0.0315","","","0.0765","0.083","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018099","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","poly[[diaquatri-μ~2~-chlorido-tri-μ~3~-nicotinato- tricopper(I)gadolinium(III)] hemiydrate]","","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C72 H68 Cl12 Cu12 Gd4 N12 O34 -","4","1","DN3161","Wu, Shuhong","A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate]","Acta Crystallographica Section C","2011","67","6","m211","m214","10.1107/S010827011101732X","","","0.71073","MoKα","","0.0588","0.042","","","0.096","0.1056","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018100","7.4436","0.0001","19.0015","0.0004","23.7517","0.0005","90","","91.686","0.001","90","","3357.98","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine- κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate","","- C64 H68 Cd2 Cl2 N12 O20 -","- C64 H68 Cd2 Cl2 N12 O20 -","- C128 H136 Cd4 Cl4 N24 O40 -","2","0.5","DN3162","Gao, Junlin; Wang, Jun; Nie, Jianhua","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π‒π and hydrogen-bonding interactions","Acta Crystallographica Section C","2011","67","6","m181","m184","10.1107/S0108270111017690","","","0.71073","MoKα","","0.0346","0.0276","","","0.0626","0.0658","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018101","8.37465","0.00007","11.93209","0.0001","12.61875","0.0001","90","","90","","90","","1260.95","0.018","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine- κ<i>N</i>^4^)platinum(II)","","- C4 H10 Cl2 N10 Pt -","- C4 H10 Cl2 N10 Pt -","- C16 H40 Cl8 N40 Pt4 -","4","1","FA3255","Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.","An X-ray powder diffraction study of <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-κ<i>N</i>^4^)platinum(II), a tetrazole-containing analogue of cisplatin","Acta Crystallographica Section C","2011","67","6","m195","m198","10.1107/S0108270111018063","powder diffraction","","1.5418","CuKα","","0.033","","","","","","","","1.64","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018102","12.238","0.002","12.217","0.002","14.123","0.003","90","","108.61","0.03","90","","2001.1","0.7","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) [μ~3~-chlorido-tetra-μ~2~-chlorido-tricuprate(I)]]","","- C10 H16 Cl5 Cu3 N4 Se2 -","- C10 H16 Cl5 Cu3 N4 Se2 -","- C40 H64 Cl20 Cu12 N16 Se8 -","4","0.5","FN3080","Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L.","The diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) dication stabilized by the polymeric <i>catena</i>-pentachloridotricuprate(I) anion","Acta Crystallographica Section C","2011","67","6","m208","m210","10.1107/S0108270111018117","","","0.71073","MoKα","","0.0546","0.0435","","","0.1043","0.1137","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018103","10.7697","0.0006","8.0282","0.0004","19.6442","0.0012","90","","102.323","0.006","90","","1659.33","0.16","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^- bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate","","- C22 H42 N12 O12 Pd2 -","- C22 H42 N12 O12 Pd2 -","- C44 H84 N24 O24 Pd4 -","2","0.5","GD3392","Seidel, Rüdiger W.; Oppel, Iris M.","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate","Acta Crystallographica Section C","2011","67","6","m199","m201","10.1107/S0108270111017586","","","0.71073","MoKα","","0.0706","0.0382","","","0.0664","0.0764","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018104","17.6547","0.0005","9.864","0.0003","33.3982","0.0008","90","","101.56","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2556","0.048","","","0.0796","0.1105","","","","","","0.814","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018105","17.6547","0.0005","9.864","0.0003","32.7904","0.0008","90","","93.733","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2811","0.0516","","","0.082","0.115","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018106","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ-hydroxido-(μ7‒4-phosphonatobenzenesulfonato)ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ9200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters. Corrigendum","Acta Crystallographica Section C","2011","67","6","e14","","10.1107/S0108270111016076","","","0.71073","MoKα","","0.0314","0.0251","","","0.0644","0.0664","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018107","5.442","0.001","5.442","0.001","12.1177","0.0014","90","","90","","90","","358.87","0.1","294","2","294","2","","","","","","","","3","I -4","I -4","82","Wulfenite","lead(II) molybdate(VI)","","- Mo4.24 O16 Pb3.76 -","- Mo1.0595 O4 Pb0.9405 -","- Mo4.238 O16 Pb3.762 -","4","0.5","KU3043","Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander","On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia)","Acta Crystallographica Section C","2011","67","6","i33","i35","10.1107/S0108270111015769","","","0.7107","MoKα","","0.0249","0.0246","","","0.0607","0.0613","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018108","7.6516","0.0001","14.781","0.0003","17.8063","0.0004","90","","95.8175","0.0008","90","","2003.49","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.0764","0.0462","","","","0.1262","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018109","9.6722","0.0002","10.014","0.0002","11.5677","0.0003","71.422","0.001","84.479","0.001","67.753","0.001","982.6","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.1115","0.0617","","","","0.1545","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018110","5.4948","0.0001","8.683","0.0001","21.3724","0.0004","90","","90","","90","","1019.71","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0443","0.0383","","","0.0838","0.087","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018111","6.1741","0.0015","8.7308","0.0019","19.844","0.004","90","","90","","90","","1069.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0499","0.037","","","0.0831","0.0898","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018112","14.592","0.003","5.5108","0.0011","15.106","0.003","90","","90","","90","","1214.7","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(Thiophen-3-yl)ethanone","","- C6 H6 O S -","- C6 H6 O S -","- C48 H48 O8 S8 -","8","1","SK3405","Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard","1-(Thiophen-3-yl)ethanone","Acta Crystallographica Section C","2011","67","6","o209","o211","10.1107/S010827011101506X","","","0.71073","MoKα","","0.0861","0.0404","","","0.0669","0.0825","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018113","12.479","0.004","11.452","0.004","16.776","0.006","90","","98.766","0.006","90","","2369.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole","","- C28 H24 N4 O3 -","- C28 H24 N4 O3 -","- C112 H96 N16 O12 -","4","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0873","0.0534","","","0.1229","0.1413","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018114","8.8422","0.0018","12.927","0.003","13.066","0.003","95.232","0.003","97.758","0.003","99.318","0.003","1450.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[dichloridomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Cl2 Hg N4 O4 -","- C29 H28 Cl2 Hg N4 O4 -","- C58 H56 Cl4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0619","0.0515","","","0.1234","0.1287","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018115","8.8247","0.0012","12.9673","0.0018","13.0197","0.0018","95.747","0.002","99.101","0.002","98.902","0.002","1441.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Br2 Hg N4 O4 -","- C29 H28 Br2 Hg N4 O4 -","- C58 H56 Br4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0522","0.0478","","","0.1232","0.1265","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018116","9.046","0.003","13.153","0.004","13.213","0.004","95.975","0.004","99.503","0.004","97.271","0.004","1525.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[diiodidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Hg I2 N4 O4 -","- C29 H28 Hg I2 N4 O4 -","- C58 H56 Hg2 I4 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0623","0.0464","","","0.099","0.107","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018117","4.85705","0.0001","8.41719","0.00016","7.87301","0.00016","90","","118.77","0.0011","90","","282.137","0.01","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Magnesium bis(perchlorate)","","- Cl2 Mg O8 -","- Cl2 Mg O8 -","- Cl4 Mg2 O16 -","2","0.5","SQ3289","Lim, Hyung-Kyu; Choi, Young Sun; Hong, Seung-Tae","Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","6","i36","i38","10.1107/S0108270111015861","powder diffraction","","1.5405","CuKα~1~","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018118","4.6061","0.0002","8.2473","0.0002","14.7545","0.0004","99.756","0.002","93.909","0.002","96.506","0.002","546.64","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,3,5-tris(Bromomethyl)benzene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","TP3001","Fernandes, José A.; Vilela, Sérgio M. F.; Ribeiro-Claro, Paulo J. A.; Almeida Paz, Filipe A.","1,3,5-Tris(bromomethyl)benzene","Acta Crystallographica Section C","2011","67","6","o198","o200","10.1107/S0108270111013618","","","0.71073","MoKα","","0.0663","0.0349","","","0.0691","0.0772","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018119","9.79","0.0013","10.1129","0.0013","11.2737","0.0014","66.198","0.002","87.935","0.001","69.418","0.002","948.7","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1- yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C36 H40 Cd2 N12 O8 -","2","1","WQ3002","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains","Acta Crystallographica Section C","2011","67","6","m173","m175","10.1107/S0108270111016507","","","0.71073","MoKα","","0.0404","0.0386","","","0.1206","0.1215","","","","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018120","10.5967","0.0002","10.5967","0.0002","10.5967","0.0002","90","","90","","90","","1189.9","0.04","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","","- C6 H9 Am Na O8 -","- C6 H9 Am Na O8 -","- C24 H36 Am4 Na4 O32 -","4","0.333333","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0441","0.0322","","","0.0529","0.0558","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018121","9.5421","0.0003","13.283","0.0004","14.2737","0.0004","90","","92.927","0.002","90","","1806.8","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","","- C13 H21 Am N3 O8 -","- C13 H21 Am N3 O8 -","- C52 H84 Am4 N12 O32 -","4","1","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0632","0.0343","","","0.0578","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018122","23.2351","0.0011","11.7216","0.0004","13.7825","0.0007","90","","115.285","0.006","90","","3394.1","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-benzene- 1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate]","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C144 H120 Cu8 N24 O40 -","8","1","BG3138","Rogan, Jelena; Poleti, Dejan; Karanović, Ljiljana","<i>catena</i>-Poly[[[(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate], a zigzag coordination polymer with strong π‒π interactions","Acta Crystallographica Section C","2011","67","7","m230","m233","10.1107/S0108270111022451","","","0.71069","MoKα","","0.0434","0.03","","","0.074","0.0764","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018123","21.9116","0.0006","8.84942","0.0001","17.2357","0.0004","90","","122.196","0.006","90","","2828.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide 0.11-hydrate","","- C8 H21.22 N3 O4.11 S2 -","- C8 H21.221 N3 O4.1105 S2 -","- C64 H169.768 N24 O32.884 S16 -","8","2","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs <i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0312","0.0256","","","0.0534","0.054","","","","","","0.953","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2018124","9.7958","0.0003","8.5522","0.0002","16.0779","0.0004","90","","106.455","0.003","90","","1291.77","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide","","- C8 H21 N3 O4 S2 -","- C8 H21 N3 O4 S2 -","- C32 H84 N12 O16 S8 -","4","1","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs <i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0308","0.0256","","","0.0735","0.0747","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018125","9.8057","0.0003","18.1602","0.0005","11.8234","0.0003","90","","95.482","0.003","90","","2095.8","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium]","","- C24 H66 Mg2 Na2 O2 Si6 -","- C24 H66 Mg2 Na2 O2 Si6 -","- C48 H132 Mg4 Na4 O4 Si12 -","2","0.5","EM3041","Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R.","A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex","Acta Crystallographica Section C","2011","67","7","m249","m251","10.1107/S0108270111023134","","","0.71073","MoKα","","0.0588","0.0391","","","0.0949","0.0995","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018126","9.668","0.0002","12.3567","0.0003","12.8186","0.0004","62.364","0.001","76.41","0.001","73.073","0.001","1288.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide","","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","1","0.5","FA3253","Haghjoo, Farhad; Barnes, Nick; Pritchard, Robin","Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide","Acta Crystallographica Section C","2011","67","7","o219","o221","10.1107/S0108270111019287","","","0.71073","MoKα","","0.0897","0.0694","","","","0.1828","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018127","10.7088","0.0004","6.7143","0.0003","15.7006","0.0005","90","","116.515","0.002","90","","1010.16","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine- κ<i>N</i>)titanium(IV)]","","- C8 H26 Cl6 N4 Ti2 -","- C8 H26 Cl6 N4 Ti2 -","- C16 H52 Cl12 N8 Ti4 -","2","0.5","FG3220","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine-κ<i>N</i>)titanium(IV)]","Acta Crystallographica Section C","2011","67","7","m234","m236","10.1107/S0108270111023353","","","0.71073","MoKα","","0.0327","0.0275","","","0.0589","0.0621","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018128","7.2326","0.0003","12.7207","0.0004","17.7516","0.0005","77.877","0.003","79.096","0.003","73.968","0.004","1519.66","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C7 H8 N4 O S2 -","- C7 H8 N4 O S2 -","- C42 H48 N24 O6 S12 -","6","3","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.061","0.0352","","","0.0898","0.0944","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018129","7.8332","0.0002","21.0883","0.0004","7.392","0.0002","90","","116.121","0.004","90","","1096.36","0.06","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[bis(methylsulfanyl)methylidene]pyrazine-2-carbohydrazide","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0361","0.0311","","","0.0848","0.0869","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018130","23.111","0.002","7.5812","0.0007","15.6547","0.0014","90","","115.43","0.002","90","","2477.1","0.4","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-[bis(methylsulfanyl)methylidene]-6-methoxypyrazine-2-carbohydrazide","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C72 H96 N32 O16 S16 -","8","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.056","0.0425","","","0.1144","0.1257","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018131","4.09","0.0004","6.4482","0.0006","20.7828","0.0019","90","","91.151","0.002","90","","548","0.09","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 1-methyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C16 H20 N8 O2 S4 -","2","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0482","0.046","","","0.1215","0.1232","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018132","9.441","0.014","12.56","0.02","13.69","0.02","90","","90","","90","","1623","4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate","","- C14 H10 Cl4 N2 O4 -","- C14 H10 Cl4 N2 O4 -","- C56 H40 Cl16 N8 O16 -","4","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.063","0.0571","","","","0.1274","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018133","8.6972","0.0017","13.762","0.003","15.381","0.003","69.388","0.009","75.342","0.01","72.618","0.001","1621.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(2-amino-3-methylpyridin-1-ium) 3,4,5,6-tetrachlorophthalate‒ 3,4,5,6-tetrachlorophthalic acid (1/1)","","- C28 H20 Cl8 N4 O8 -","- C28 H20 Cl8 N4 O8 -","- C56 H40 Cl16 N8 O16 -","2","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.0397","0.0362","","","","0.0904","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018134","13.55","0.003","16.78","0.003","19.15","0.004","90","","94.36","0.03","90","","4341.5","1.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate","","- C24 H27 N2 O4.5 -","- C24 H26.844 N2 O4.5 -","- C192 H214.752 N16 O36 -","8","2","GD3393","Díaz, Fernando; Benassi, Andrés; Quintero, Mariano; Polla, Griselda; Freire, Eleonora; Baggio, Ricardo","1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate: a carvedilol solvatomorph","Acta Crystallographica Section C","2011","67","7","o222","o225","10.1107/S0108270111019688","","","0.71073","MoKα","","0.1","0.0539","","","0.1341","0.1472","","","","","","1.05","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018135","9.6649","0.0017","11.578","0.002","16.279","0.003","99.518","0.002","91.296","0.002","105.156","0.002","1729.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0383","0.0288","","","0.0642","0.0694","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018136","9.655","0.002","11.564","0.002","16.278","0.003","99.697","0.002","91.304","0.002","105.236","0.002","1724.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0257","0.0224","","","0.0638","0.0709","","","","","","1.123","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018137","9.6359","0.0015","11.5787","0.0018","16.249","0.003","99.676","0.002","91.446","0.002","105.23","0.002","1719.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0581","0.0509","","","0.1304","0.1374","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018138","9.651","0.003","11.571","0.003","16.254","0.004","99.72","0.004","91","0.004","105.398","0.004","1721.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) sulfate hexahydrate","","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.047","0.0377","","","0.0855","0.0918","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018139","9.603","0.003","11.555","0.003","16.22","0.005","99.7","0.004","91.472","0.005","105.356","0.004","1706.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) sulfate hexahydrate","","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0594","0.0378","","","0.0751","0.0817","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018140","9.5987","0.0008","11.5733","0.001","16.2193","0.0014","99.754","0.001","91.452","0.001","105.29","0.001","1708.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) sulfate hexahydrate","","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0261","0.0244","","","0.0633","0.0641","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018141","9.5859","0.0008","11.5639","0.001","16.1967","0.0014","99.779","0.001","91.453","0.001","105.284","0.001","1702.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) sulfate hexahydrate","","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.037","0.0309","","","0.0791","0.0821","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018142","8.869","0.003","18.653","0.005","9.613","0.003","90","","94.56","0.03","90","","1585.3","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dipotassium ethylenediaminetetraacetate dihydrate","dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)\ azaniumyl)acetate dihydrate","","- C10 H18 K2 N2 O10 -","- C10 H18 K2 N2 O10 -","- C40 H72 K8 N8 O40 -","4","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0539","0.0303","","","0.0671","0.0716","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018143","8.074","0.003","9.987","0.003","11.045","0.003","101.68","0.03","102.19","0.03","96.85","0.03","840.2","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","tripotassium ethylenediaminetetraacetate dihydrate","tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate","","- C10 H17 K3 N2 O10 -","- C10 H17 K3 N2 O10 -","- C20 H34 K6 N4 O20 -","2","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0351","0.0242","","","0.0628","0.0647","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018144","30.033","0.009","9.7","0.003","31.513","0.009","90","","114.27","0.03","90","","8369","5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrapotassium ethylenediaminetetraacetate 3.92-hydrate","tetrapotassium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate 3.92-hydrate","","- C10 H19.741 K4 N2 O11.923 -","- C10 H19.739 K4 N2 O11.9235 -","- C160 H315.824 K64 N32 O190.776 -","16","2","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0455","0.0268","","","0.0518","0.0537","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018145","7.8609","0.0002","14.1905","0.0004","49.5413","0.0012","90","","90.099","0.001","90","","5526.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[(<i>E</i>,<i>E</i>)-ferrocene-1,1'-diyldimethylidyne]diindolin-2-one dichloromethane disolvate","","- C30 H24 Cl4 Fe N2 O2 -","- C30 H24 Cl4 Fe N2 O2 -","- C240 H192 Cl32 Fe8 N16 O16 -","8","2","GG3253","Spencer, John; Nielsen, Birthe V.; Thomas, Michael J. K.; Male, Louise; Coles, Simon J.","The Knoevenagel product of indolin-2-one and ferrocene-1,1'-dicarbaldehyde","Acta Crystallographica Section C","2011","67","7","m245","m248","10.1107/S0108270111021536","","","0.71073","MoKα","","0.1075","0.0849","","","0.1597","0.1734","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018146","19.589","0.004","12.808","0.003","16.207","0.003","90","","97.14","0.03","90","","4034.7","1.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[{bis[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(ethane-1,2-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(hexafluoridophosphate) 0.25-hydrate","","- C34 H40.5 F12 Hg N6 O0.25 P2 S2 -","- C34 H40 F12 Hg N6 O0.25 P2 S2 -","- C136 H160 F48 Hg4 N24 O P8 S8 -","4","1","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0741","0.0557","","","0.1091","0.1187","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018147","9.871","0.002","10.364","0.002","18.078","0.004","98.39","0.03","97.85","0.03","94.05","0.03","1804.7","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-poly[[{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}bis[μ-4-(trimethylammonio)benzenethiolate- κ^2^<i>S</i>:<i>S</i>]{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(hexane-1,6-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] tetrakis(hexafluoridophosphate)]","","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","1","0.5","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0453","0.0382","","","0.0883","0.0921","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018148","4.8956","0.0007","4.8956","0.0007","29.751","0.006","90","","90","","120","","617.51","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","europium nickel indide","europium pentanickel indide","","- Eu In Ni5 -","- Eu In Ni5 -","- Eu6 In6 Ni30 -","6","0.166667","KU3048","Bigun, Inna; Smetana, Volodymyr; Kalychak, Yaroslav","A new rhombohedral modification of EuNi~5~In","Acta Crystallographica Section C","2011","67","7","i42","i44","10.1107/S0108270111022359","","","0.71073","MoKα","","0.0249","0.0219","","","0.0492","0.0508","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018149","5.8272","0.0004","9.8245","0.0004","14.3943","0.0011","90","","90","","90","","824.06","0.09","110.3","","110.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-carboline norharman","9<i>H</i>-pyrido[3,4-<i>b</i>]indole","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","KU3050","Thatcher, Robert J.; Douthwaite, Richard E.","β-Carboline (norharman)","Acta Crystallographica Section C","2011","67","7","o241","o243","10.1107/S0108270111021706","","","0.7107","MoKα","","0.0651","0.0377","","","0.0664","0.0726","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018150","8.4243","0.0001","8.4243","0.0001","25.6975","0.0009","90","","90","","90","","1823.72","0.07","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","<i>catena</i>-poly[[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-2-aminobenzene-1,4- dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]","","- C18 H15 N3 O4 Zn -","- C18 H15 N3 O4 Zn -","- C72 H60 N12 O16 Zn4 -","4","1","KY3002","Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na","A chiral interdigitated supramolecular network assembled from single-stranded helical tubes","Acta Crystallographica Section C","2011","67","7","m227","m229","10.1107/S0108270111022566","","","0.71073","MoKα","","0.07","0.0431","","","0.068","0.0706","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018151","14.253","0.006","14.253","0.006","14.253","0.006","90","","90","","90","","2895","2","153","2","153","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","tribarium biyttrium hexaborate","","- B6 Ba3 O15 Y2 -","- B6 Ba3 O15 Y2 -","- B48 Ba24 O120 Y16 -","8","0.166667","OV3004","Zhao, Sangen; Yao, Jiyong; Zhang, Guochun; Fu, Peizhen; Wu, Yicheng","Ba~3~Y~2~B~6~O~15~, a novel cubic borate","Acta Crystallographica Section C","2011","67","7","i39","i41","10.1107/S010827011102052X","","","0.71073","MoKα","","0.0223","0.0212","","","0.0461","0.0466","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018152","13.3622","0.0002","8.1542","0.0002","15.6845","0.0003","90","","120.184","0.001","90","","1477.24","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-acetylphenyl)-2,5-dichlorobenzenesulfonamide","","- C14 H11 Cl2 N O3 S -","- C14 H11 Cl2 N O3 S -","- C56 H44 Cl8 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.0579","0.049","","","","0.1441","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018153","13.0007","0.0005","8.3615","0.0004","12.5179","0.0006","90","","98.118","0.003","90","","1347.13","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-acetylphenyl)benzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.069","0.0483","","","","0.1467","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018154","13.943","0.004","9.24","0.002","21.642","0.005","90","","97.462","0.005","90","","2764.6","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I)","","- C29 H31 Cu F2 N4 -","- C29 H31 Cu F2 N4 -","- C116 H124 Cu4 F8 N16 -","4","1","SK3409","Willcocks, Alexander M.; Johnson, Andrew L.; Raithby, Paul R.; Schiffers, Stefanie; Warren, John E.","Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I)","Acta Crystallographica Section C","2011","67","7","m215","m217","10.1107/S010827011101972X","","","0.6939","synchrotron","","","0.0584","","","","0.1648","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018155","15.684","0.003","13.007","0.002","21.981","0.004","90","","90","","90","","4484.2","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V)","","- C8 H18 Cl8 O S2 Ta2 -","- C8 H18 Cl8 O S2 Ta2 -","- C64 H144 Cl64 O8 S16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0479","0.0357","","","0.0668","0.0724","","","","","","1.098","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2018156","28.447","0.003","8.2681","0.0005","16.2051","0.001","90","","120.875","0.005","90","","3271.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-dimethyldiselane-κ^2^<i>Se</i>:<i>Se</i>'-μ-oxido- bis[tetrachloridotantalum(V)]","","- C2 H6 Cl8 O Se2 Ta2 -","- C2 H6 Cl8 O Se2 Ta2 -","- C16 H48 Cl64 O8 Se16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0201","0.0182","","","0.0397","0.0405","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018157","11.58","0.0009","8.4221","0.0006","11.6393","0.0009","90","","113.354","0.001","90","","1042.16","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]cadmium(II)]","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","SQ3290","Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer","Acta Crystallographica Section C","2011","67","7","m224","m226","10.1107/S010827011102083X","","","0.71073","MoKα","","0.0336","0.0279","","","0.0516","0.0535","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018158","5.8637","0.0005","11.2707","0.0008","23.0268","0.0019","90","","93.082","0.008","90","","1519.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4-nitrophthalate","4-carbamoylpiperidinium 2-carboxy-4-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0635","0.0461","","","0.1077","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018159","6.6897","0.0004","9.7392","0.0005","24.1222","0.0013","90","","92.479","0.004","90","","1570.15","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4,5-dichlorophthalate","4-carbamoylpiperidinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H16 Cl2 N2 O5 -","- C14 H16 Cl2 N2 O5 -","- C56 H64 Cl8 N8 O20 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0531","0.046","","","0.1108","0.1131","","","","","","1.299","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018160","9.4117","0.0004","14.3552","0.0005","11.449","0.0005","90","","103.787","0.004","90","","1502.27","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide hydrogen 5-nitroisophthalate","4-carbamoylpiperidinium 3-carboxy-5-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0542","0.0373","","","0.101","0.1064","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018161","6.5099","0.0005","7.7777","0.0006","11.6865","0.0012","76.429","0.008","76.968","0.007","80.885","0.007","556.89","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide terephthalate dihydrate","bis(4-carbamoylpiperidinium) benzene-1,2-dicarboxylate dihydrate","","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","1","0.5","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0473","0.0337","","","0.0885","0.0926","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018162","7.0045","0.0004","7.6512","0.0005","9.4192","0.0005","87.877","0.005","71.718","0.005","73.083","0.005","457.76","0.05","291","3","291","3","","","","","","","","4","P -1","-P 1","2","8-Hydroxy-7-quinolinecarboxylic acid monohydrate","8-hydroxyquinolinium-7-carboxylate monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C20 H18 N2 O8 -","2","1","UK3030","Kruszynski, Rafal","A structural and theoretical study of the intermolecular interactions in 8-hydroxyquinolinium-7-carboxylate monohydrate","Acta Crystallographica Section C","2011","67","7","o230","o234","10.1107/S0108270111021585","","","0.71073","MoKα","","0.0439","0.0315","","","0.0877","0.0916","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018163","9.885","0.002","7.0011","0.0015","12.746","0.003","90","","97.28","0.003","90","","875","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[[μ~3~-(5,6-η):κ<i>O</i>^2^:κ<i>O</i>^2^-(±)- (1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-carboxy-7- oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","","- C8 H9 Ag O6 -","- C8 H9 Ag O6 -","- C32 H36 Ag4 O24 -","4","1","WQ3003","Wang, Feng-Yan; Jiang, Xue-Bing; Tan, Xue-Jie; Xing, Dian-Xiang","A two-dimensional undulating Ag^I^ coordination polymer constructed of Ag—C and Ag—O bonds: poly[[[μ~3~-(5,6-η):κ<i>O</i>^2^:κ<i>O</i>^2^-(±)-(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-carboxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","Acta Crystallographica Section C","2011","67","7","m218","m220","10.1107/S0108270111019421","","","0.71073","MoKα","","0.0317","0.0295","","","0.0781","0.0795","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018164","27.3191","0.0012","18.7841","0.0007","12.7375","0.0006","90","","97.565","0.004","90","","6479.5","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetra-<i>tert</i>-butyldi-μ~4~-oxido-bis(tetramethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(μ~2~-2,2,6,6-tetramethylpiperidin-1-ido- κ^2^<i>N</i>:<i>N</i>)disodiumtetrazinc hexane 0.59-solvate","","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C198.16 H449.04 N24 Na8 O8 Zn16 -","4","0.5","WQ3004","Balloch, Liam; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","A μ~4~-oxide-containing a dimeric variant of a sodium dialkyl(amido)zincate reagent","Acta Crystallographica Section C","2011","67","7","m252","m254","10.1107/S0108270111022645","","","0.71073","MoKα","","0.0484","0.0289","","","0.0839","0.0864","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018165","9.3349","0.0019","9.954","0.002","15.547","0.003","92.21","0.03","93.73","0.03","112.33","0.03","1330.3","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl- κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~- thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- tetracopper(I)ditungsten(VI)","","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","1","0.5","YF3004","Lü, Xue; Ren, Zhi-Gang; Zheng, Ai-Xia; Zhang, Liang; Lang, Jian-Ping","Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-tetracopper(I)ditungsten(VI)","Acta Crystallographica Section C","2011","67","7","m241","m244","10.1107/S0108270111022347","","","0.71073","MoKα","","0.0373","0.0287","","","0.0703","0.0723","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018166","19.643","0.003","4.9874","0.0006","21.482","0.003","90","","102.056","0.002","90","","2058.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-chlorobenzyl)-<i>N</i>''-(2,6- difluorobenzoyl)phosphoric triamide","","- C21 H18 Cl2 F2 N3 O2 P -","- C21 H18 Cl2 F2 N3 O2 P -","- C84 H72 Cl8 F8 N12 O8 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0815","0.0523","","","0.1114","0.1279","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018167","4.8252","0.0006","10.3456","0.0012","45.068","0.005","90","","90.53","0.002","90","","2249.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,6-difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4- methoxybenzyl)phosphoric triamide","","- C23 H24 F2 N3 O4 P -","- C23 H24 F2 N3 O4 P -","- C92 H96 F8 N12 O16 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0556","0.0424","","","0.0972","0.1014","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018168","21.164","0.005","5.0011","0.0012","33.635","0.008","90","","95.149","0.005","90","","3545.7","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-chloro-2,2-difluoroacetyl)-<i>N</i>',<i>N</i>''-bis(4- methylphenyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C128 H136 Cl8 F16 N24 O16 P8 -","8","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.1388","0.0755","","","0.1747","0.1966","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018169","6.0021","0.0015","11.003","0.003","16.96","0.004","90","","92.566","0.004","90","","1118.9","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate","","- C9 H12 Cl N3 O2 -","- C9 H12 Cl N3 O2 -","- C36 H48 Cl4 N12 O8 -","4","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.061","0.0524","","","0.1114","0.1151","","","","","","1.205","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018170","7.9966","0.0017","9.737","0.002","9.833","0.002","78.976","0.003","86.217","0.003","73.104","0.003","719","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1- dimethylprop-2-yn-1-ol","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C28 H34 N6 O4 -","2","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.0512","0.045","","","0.1087","0.1122","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018171","7.573","0.0003","11.9386","0.0004","15.6694","0.0006","91.026","0.001","94.732","0.001","92.794","0.001","1409.84","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(2,6-diamine-7<i>H</i>-purine-κ<i>N</i>^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","","- C20 H32 Co N12 O16 -","- C20 H32 Co N12 O16 -","- C40 H64 Co2 N24 O32 -","2","1","BM3106","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Tetraaquabis(2,6-diamine-7<i>H</i>-purine-κ<i>N</i>^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","Acta Crystallographica Section C","2011","67","8","m275","m278","10.1107/S0108270111020488","","","0.71073","MoKα","","0.0386","0.0341","","","0.0906","0.0953","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018172","10.1431","0.0019","8.1729","0.0011","9.26","0.002","90","","101.879","0.016","90","","751.2","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium semi-malonate","Glycinium semi-malonate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0523","0.0417","","","0.0896","0.0935","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018173","4.8954","0.0004","20.8944","0.0014","10.8462","0.0008","90","","120.648","0.006","90","","954.45","0.14","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0511","0.0377","","","0.0949","0.1023","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018174","10.812","0.002","11.942","0.002","10.868","0.002","90","","102.274","0.003","90","","1371.2","0.4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro- 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","","- C14 H19 F2 O2.5 -","- C14 H19 F2 O2.5 -","- C56 H76 F8 O10 -","4","1","EG3073","Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","Acta Crystallographica Section C","2011","67","8","o294","o296","10.1107/S0108270111024413","","","0.71073","MoKa","","0.0654","0.0424","","","0.1071","0.1236","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018175","12.4407","0.0003","19.1542","0.0005","14.6744","0.0004","90","","90","","90","","3496.79","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 2-(picramino)benzoate monohydrate","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate","","- C36 H36 N6 O13 -","- C36 H36 N6 O13 -","- C144 H144 N24 O52 -","4","1","FG3225","Smith, Graham; Wermuth, Urs D.","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate: a 1:1 proton-transfer salt of brucine with <i>o</i>-picraminobenzoic acid","Acta Crystallographica Section C","2011","67","8","o334","o336","10.1107/S010827011102782X","","","0.71073","MoKα","","0.0643","0.0434","","","0.1034","0.1088","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018176","11.4596","0.001","21.834","0.002","23.905","0.002","114.399","0.001","96.285","0.001","90.388","0.001","5405.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>- bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II)","","- C56 H56 Br4 Fe2 N4 P4 -","- C56 H56 Br4 Fe2 N4 P4 -","- C224 H224 Br16 Fe8 N16 P16 -","4","2","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0507","0.0326","","","0.0675","0.0736","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018177","18.928","0.005","18.352","0.004","17.243","0.004","90","","90.365","0.003","90","","5990","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>- bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) μ-oxido-bis[tribromidoferrate(III)]","","- C56 H56 Br6 Fe3 N4 O P4 -","- C56 H56 Br6 Fe3 N4 O P4 -","- C224 H224 Br24 Fe12 N16 O4 P16 -","4","1","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0524","0.0386","","","0.091","0.0966","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018178","10.292","0.002","11.25","0.003","13.339","0.003","90","","90.644","0.003","90","","1544.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aquahemi[μ~4~-1,6-bis(1,2,4- triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","","- C13 H13 Cd N4 O7 -","- C13 H13 Cd N4 O7 -","- C52 H52 Cd4 N16 O28 -","4","1","GA3165","Li, Jing; Wu, Ren-Tao; Li, Hong-Bo","A rare `mesh of trees' (mot) net: poly[aquahemi[μ~4~-1,6-bis(1,2,4-triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2011","67","8","m284","m286","10.1107/S0108270111021871","","","0.71073","MoKα","","0.0416","0.0316","","","0.0654","0.069","","","","","","0.986","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018179","15.8827","0.0006","8.1004","0.0003","27.7913","0.001","90","","91.835","0.002","90","","3573.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 4-amino-<i>N</i>-(4,6-dimethyl-1,2-dihydropyrimidin-2-ylidene)benzenesulfonamide 1,3-dimethyl-7<i>H</i>-purine-2,6-dione","","- C31 H36 N12 O6 S2 -","- C31 H36 N12 O6 S2 -","- C124 H144 N48 O24 S8 -","4","1","GA3166","Lu, Jie; Cruz-Cabeza, Aurora J.; Rohani, Sohrab; Jennings, Michael C.","A 2:1 sulfamethazine‒theophylline cocrystal exhibiting two tautomers of sulfamethazine","Acta Crystallographica Section C","2011","67","8","o306","o309","10.1107/S0108270111024280","","","0.71073","MoKα","","0.0513","0.0395","","","0.1026","0.1096","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018180","6.6517","0.0008","16.084","0.002","9.8254","0.0014","90","","91.825","0.006","90","","1050.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(±)-3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>- nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carbonitrile","","- C8 H8 Br2 N2 O3 -","- C8 H8 Br2 N2 O3 -","- C32 H32 Br8 N8 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.047","0.045","","","0.1149","0.1163","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018181","15.945","0.002","6.7578","0.001","13.194","0.002","90","","107.655","0.009","90","","1354.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-3-<i>exo</i>,6-<i>exo</i>-dibromo-6-<i>endo</i>-nitro-5-<i>exo</i>- phenylbicyclo[2.2.1]heptan-2-<i>endo</i>-ol","","- C13 H13 Br2 N O3 -","- C13 H13 Br2 N O3 -","- C52 H52 Br8 N4 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.029","0.0222","","","0.0508","0.0523","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018182","6.7221","0.0002","7.7353","0.0003","12.1546","0.0005","88.296","0.003","80.595","0.003","69.323","0.003","583.08","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>- nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C9 H11 Br2 N O5 -","- C9 H11 Br2 N O5 -","- C18 H22 Br4 N2 O10 -","2","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.051","0.0389","","","0.0672","0.07","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018183","15.8724","0.0008","9.0341","0.0004","15.0064","0.0007","90","","98.219","0.002","90","","2129.71","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-7-(diphenylmethylidene)-5-<i>endo</i>- hydroxy-3-<i>endo</i>-nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C22 H19 Br2 N O5 -","- C22 H19 Br2 N O5 -","- C88 H76 Br8 N4 O20 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0734","0.0328","","","0.0511","0.0572","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018184","7.8071","0.0013","22.76","0.004","6.7673","0.001","90","","110.32","0.01","90","","1127.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>-nitro- 7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C8 H9 Br2 N O6 -","- C8 H9 Br2 N O6 -","- C32 H36 Br8 N4 O24 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0375","0.0324","","","0.0741","0.0756","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018185","9.0348","0.001","10.377","0.0011","13.8951","0.0015","95.994","0.002","108.342","0.002","107.304","0.002","1152","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate","","- C27 H27 O5 P -","- C27 H27 O5 P -","- C54 H54 O10 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0584","0.05","","","0.136","0.1431","","","","","","1.085","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018186","9.957","0.004","10.589","0.004","14.928","0.006","78.191","0.006","71.505","0.006","64.285","0.006","1340.7","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate acetic acid monosolvate","","- C29 H31 O7 P -","- C29 H31 O7 P -","- C58 H62 O14 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0764","0.0583","","","0.1453","0.1709","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018187","8.7357","0.001","16.828","0.0018","31.896","0.004","90","","90","","90","","4688.9","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethyl 2-(triphenylphosphoranylidene)succinate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C208 H216 O32 P8 -","8","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0849","0.0516","","","0.1256","0.1386","","","","","","0.914","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018188","10.8577","0.0004","11.1342","0.0006","12.3719","0.0006","87.928","0.004","73.958","0.004","81.354","0.004","1421.06","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C64 H62 N2 O14 S2 -","2","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.0587","0.0495","","","0.1391","0.1646","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018189","10.8712","0.0004","19.8539","0.0006","13.818","0.0004","90","","105.156","0.003","90","","2878.68","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C128 H124 N4 O28 S4 -","4","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.1063","0.0666","","","0.2229","0.2339","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018190","11.6937","0.0012","18.6458","0.0019","27.047","0.003","90","","90","","90","","5897.3","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Val-L-Val-OMe","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-L-valyl-L-valine methyl ester","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","JZ3205","Jacobsen, Øyvind; Gebreslasie, Hadgu Girmay; Klaveness, Jo; Rongved, Pål; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-valyl-<small>L</small>-valine methyl ester: a twisted parallel β-sheet in the crystal structure of a protected dipeptide","Acta Crystallographica Section C","2011","67","8","o278","o282","10.1107/S0108270111022293","","","0.71073","MoKα","","0.0477","0.0364","","","0.0831","0.0889","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018191","6.116","0.003","15.662","0.007","17.967","0.008","90","","97.878","0.006","90","","1704.8","1.4","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester","methyl 2-{2-[(<i>tert</i>-butoxycarbonyl)amino]-2-methylpropanamido}-2- methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group <i>P</i>2~1~/<i>n</i>","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.0927","0.0504","","","0.1091","0.1261","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018192","6.0679","0.0015","33.743","0.009","8.583","0.002","90","","92.266","0.003","90","","1756","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Boc-Aib-Aib-OMe","Methyl 2-(2-{[(<i>tert</i>-butoxy)carbonyl]amino}-2-methylpropanamido)- 2-methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group <i>P</i>2~1~/<i>n</i>","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.122","0.0424","","","0.093","0.1253","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018193","19.255","0.001","5.7804","0.0004","16.9328","0.0006","90","","112.845","0.004","90","","1736.81","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-(ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane]","","- C16 H16 Br2 O4 S2 -","- C16 H16 Br2 O4 S2 -","- C64 H64 Br8 O16 S8 -","4","0.5","KU3047","Ahmed, Maqsood; Noureen, Sajida; Gros, Philippe C.; Guillot, Benoit; Jelsch, Christian","2,2'-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100K refined using a multipolar atom model","Acta Crystallographica Section C","2011","67","8","o329","o333","10.1107/S0108270111027247","","","0.71073","MoKα","","0.0219","0.0212","","","0.0521","0.0527","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018194","9.5542","0.0005","18.7198","0.0009","21.1509","0.0012","90","","90","","90","","3782.9","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-fluoro-<i>N</i>-(1<i>H</i>-pyrrol-2-ylmethylidene)aniline","","- C11 H9 F N2 -","- C11 H9 F N2 -","- C176 H144 F16 N32 -","16","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0726","0.0383","","","0.0841","0.1","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018195","12.5935","0.0013","10.1843","0.0011","16.901","0.002","90","","107.035","0.005","90","","2072.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[(1<i>H</i>-pyrrol-2-ylmethylidene)amino]benzonitrile","","- C12 H9 N3 -","- C12 H9 N3 -","- C96 H72 N24 -","8","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0863","0.0401","","","0.082","0.0957","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018196","24.7962","0.0003","24.7962","0.0003","5.2924","0.0001","90","","90","","120","","2818.08","0.07","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate","","- C6.5 H8 N O2.1667 -","- C6.51 H8.02 N O2.17 -","- C117.18 H144.36 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0666","0.0441","","","0.1118","0.13","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018197","24.9208","0.0005","24.9208","0.0005","5.2738","0.0001","90","","90","","120","","2836.47","0.1","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone propan-2-ol 0.167-solvate","","- C6.5 H8.3333 N O2.1667 -","- C6.51 H8.36 N O2.17 -","- C117.18 H150.48 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0622","0.0465","","","0.1206","0.1323","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018198","24.9131","0.0011","24.9131","0.0011","5.2462","0.0003","90","","90","","120","","2819.9","0.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0854","0.0519","","","0.1358","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018199","25.2734","0.0007","25.2734","0.0007","5.2602","0.0007","90","","90","","120","","2909.8","0.4","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.1131","0.0626","","","0.1642","0.1983","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018200","24.9194","0.0005","24.9194","0.0005","5.2541","0.001","90","","90","","120","","2825.6","0.5","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0642","0.0445","","","0.1219","0.1347","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018201","24.9344","0.0004","24.9344","0.0004","5.2415","0.0001","90","","90","","120","","2822.18","0.08","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0398","0.0373","","","0.1095","0.1129","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018202","25.282","0.006","25.282","0.006","5.1838","0.0014","90","","90","","120","","2869.5","1.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0948","0.0731","","","0.2201","0.2455","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018203","6.8802","0.0001","16.7892","0.0004","21.924","0.0005","90","","90","","90","","2532.51","0.09","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate dihydrate","","- C8 H12 Cl2 N4 O3 -","- C8 H12 Cl2 N4 O3 -","- C64 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.1108","0.0525","","","0.1175","0.1416","","","","","","1.054","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018204","7.0255","0.0001","10.0683","0.0002","11.758","0.0002","112.342","0.0008","93.9597","0.0009","107.427","0.0009","718.02","0.02","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate methanol disolvate","","- C10 H16 Cl2 N4 O3 -","- C10 H16 Cl2 N4 O3 -","- C20 H32 Cl4 N8 O6 -","2","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0464","0.0349","","","0.088","0.0951","","","","","","1.057","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018205","15.963","0.0001","7.406","0.0002","21.793","0.0003","90","","90","","90","","2576.41","0.08","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-amino[(2,6-dichloro-4-hydroxystyryl)amino]methaniminium acetate","","- C10 H12 Cl2 N4 O3 -","- C10 H12 Cl2 N4 O3 -","- C80 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0503","0.0372","","","0.0919","0.0997","","","","","","1.091","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018206","12.0988","0.001","8.6425","0.0007","12.2023","0.001","90","","107.445","0.001","90","","1217.23","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trichloromethylimidoyl-4-methoxybenzamidine","4-methoxy-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C10 H10 Cl3 N3 O -","- C10 H10 Cl3 N3 O -","- C40 H40 Cl12 N12 O4 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0327","0.0262","","","0.0613","0.0643","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018207","10.2999","0.0003","10.9423","0.0003","15.6902","0.0004","85.5518","0.0012","86.5092","0.0012","81.5436","0.0011","1741.67","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","trichloromethylimidoylbenzamidine","<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C54 H48 Cl18 N18 -","6","3","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.1068","0.0554","","","0.1265","0.1505","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018208","5.762","0.002","22.711","0.008","9.713","0.004","90","","106.031","0.004","90","","1221.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-chlorobenzamidine","4-chloro-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Cl4 N3 -","- C9 H7 Cl4 N3 -","- C36 H28 Cl16 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.065","0.0501","","","0.1156","0.1221","","","","","","1.214","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018209","5.8124","0.0017","23.379","0.007","9.715","0.003","90","","107.407","0.003","90","","1259.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-bromobenzamidine","4-bromo-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C36 H28 Br4 Cl12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0285","0.0241","","","0.0606","0.0616","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018210","11.2939","0.0017","8.3914","0.0013","13.505","0.002","90","","95.505","0.002","90","","1274","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-trifluoromethylbenzamidine","4-trifluoromethyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene- 1-carboximidamide","","- C10 H7 Cl3 F3 N3 -","- C10 H7 Cl3 F3 N3 -","- C40 H28 Cl12 F12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0406","0.0362","","","0.0949","0.0983","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018211","10.5377","0.0018","12.358","0.002","28.533","0.005","90","","99.343","0.004","90","","3666.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","","- C19 H64 N4 O19 U -","- C19 H64 N4 O19 U -","- C76 H256 N16 O76 U4 -","4","1","BG3140","Reed, Wendy A.; Oliver, Allen G.; Rao, Linfeng","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","Acta Crystallographica Section C","2011","67","9","m301","m303","10.1107/S0108270111032641","","","0.775","synchrotron","","0.0308","0.0273","","","0.071","0.0721","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018212","20.326","0.006","14.184","0.004","36.696","0.013","90","","94.89","0.03","90","","10541","6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(μ-4-chlorobenzoato- κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4- chlorobenzoato-κ<i>O</i>)tetrakis(μ^3^-2-pyridylmethanolato- κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","","- C52 H40 Cl4 Cu4 N4 O12 -","- C52 H40 Cl4 Cu4 N4 O12 -","- C416 H320 Cl32 Cu32 N32 O96 -","8","1","BG3141","Moncol, Jan; Jomova, Klaudia; Zelenicky, Lubomir; Lis, Tadeusz; Valko, Marian","A tetranuclear copper(II) cluster: bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4-chlorobenzoato-κ<i>O</i>)tetrakis(μ~3~-2-pyridylmethanolato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","Acta Crystallographica Section C","2011","67","9","m318","m320","10.1107/S010827011103335X","","","0.71073","MoKα","","0.0598","0.0343","","","0.0655","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018213","19.058","0.004","10.276","0.002","16.323","0.003","90","","90","","90","","3196.7","1.1","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5- dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI)","","- C23 H42 B Br Cu N7 S3 W -","- C23 H42 B Br Cu N7 S3 W -","- C92 H168 B4 Br4 Cu4 N28 S12 W4 -","4","1","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0416","0.0376","","","0.0819","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018214","12.808","0.003","11.768","0.002","22.569","0.005","90","","90","","90","","3401.7","1.2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5- dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","","- C23 H42 B Br2 Cu2 N7 S3 W -","- C23 H42 B Br2 Cu2 N7 S3 W -","- C92 H168 B4 Br8 Cu8 N28 S12 W4 -","4","0.5","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0502","0.0434","","","0.1156","0.1196","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018215","11.6424","0.0003","10.7368","0.0003","7.6554","0.0002","90","","93.804","0.002","90","","954.83","0.04","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,5-dimethoxyterephthalic acid","2,5-dimethoxyterephthalic acid","","- C10 H10 O6 -","- C10 H10 O6 -","- C40 H40 O24 -","4","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0334","0.0293","","","0.0821","0.0841","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018216","3.9796","0.0002","15.7498","0.0007","9.3833","0.0004","90","","98.829","0.001","90","","581.16","0.05","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-diethoxyterephthalic acid","2,5-diethoxyterephthalic acid","","- C12 H14 O6 -","- C12 H14 O6 -","- C24 H28 O12 -","2","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0406","0.0333","","","0.0856","0.089","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018217","6.8522","0.0002","10.558","0.0004","14.3009","0.0006","82.862","0.003","84.892","0.002","86.091","0.003","1020.8","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol‒ 2-hydroxybenzoic acid (1/1)","","- C20 H18 F2 N6 O4 -","- C20 H18 F2 N6 O4 -","- C40 H36 F4 N12 O8 -","2","1","EM3042","Kastelic, Jože; Lah, Nina; Kikelj, Danijel; Leban, Ivan","A 1:1 cocrystal of fluconazole with salicylic acid","Acta Crystallographica Section C","2011","67","9","o370","o372","10.1107/S0108270111031155","","","0.71073","MoKα","","0.0691","0.0438","","","0.1005","0.1138","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018218","10.459","0.002","12.88","0.01","14.021","0.004","90","","124.069","0.015","90","","1564.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3,4,5-trimethoxy-4'-nitrostilbene","(<i>E</i>)-1-nitro-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.1141","0.0454","","","0.1081","0.1346","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018219","7.512","0.002","7.895","0.001","26.441","0.006","90","","104.667","0.019","90","","1517","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrobenzylidene-3,4,5-trimethoxyaniline","(<i>E</i>)-3,4,5-trimethoxy-<i>N</i>-(4-nitrobenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0613","0.0364","","","0.0906","0.1035","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018220","7.215","0.003","14.429","0.002","14.595","0.005","90","","90","","90","","1519.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4,5-trimethoxybenzylidene-4-nitroaniline","(<i>E</i>)-4-nitro-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0622","0.052","","","0.1303","0.1405","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018221","9.983","0.0003","11.3023","0.0003","15.6037","0.0005","89.947","0.002","89.539","0.001","63.926","0.001","1581.34","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Pd_iii","<i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)","","- C36 H30 Cl2 P2 Pd -","- C36 H30 Cl2 P2 Pd -","- C72 H60 Cl4 P4 Pd2 -","2","1","FG3223","Corrêa, Rodrigo S.; Graminha, Angélica E.; Ellena, Javier; Batista, Alzir A.","Weak C—H···Cl—Pd interactions toward conformational polymorphism in <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)","Acta Crystallographica Section C","2011","67","9","m304","m306","10.1107/S0108270111033051","","","0.71073","MoKα","","0.0989","0.046","","","","0.1275","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018222","9.3715","0.0002","14.2178","0.0002","13.8932","0.0002","90","","102.867","0.002","90","","1804.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1- ylidene)]diphenolato}oxovanadium(IV)","","- C22 H18 N2 O3 V -","- C22 H18 N2 O3 V -","- C88 H72 N8 O12 V4 -","4","1","KU3049","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","A vanadyl Schiff base complex: {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV)","Acta Crystallographica Section C","2011","67","9","m287","m289","10.1107/S0108270111028277","","","0.71073","MoKα","","0.0266","0.0239","","","0.072","0.0731","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018223","16.351","0.005","11.534","0.004","14.075","0.005","90","","111.311","0.005","90","","2472.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(terpy)(pyz)](ClO4)2(CH3NO2)","(1<i>H</i>-Pyrazole-κ<i>N</i>^2^)(2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) bis(perchlorate) nitromethane monosolvate","","- C19 H18 Cl2 N6 O10 Pt -","- C19 H18 Cl2 N6 O10 Pt -","- C76 H72 Cl8 N24 O40 Pt4 -","4","1","OV3005","Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan","(1<i>H</i>-Pyrazole-κ<i>N</i>^2^)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) bis(perchlorate) nitromethane monosolvate","Acta Crystallographica Section C","2011","67","9","m290","m292","10.1107/S0108270111026011","","","0.71073","MoKα","","0.0582","0.0466","","","0.1253","0.1312","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018224","19.753","0.004","5.9369","0.0012","21.343","0.005","90","","101.271","0.003","90","","2454.7","0.9","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-L-seryl- α-aminoisobutyryl-L-valine methyl ester","(6S,12S)-methyl 6-(allyloxymethyl)-12-isopropyl-2,2,9,9-tetramethyl-4,7,10-trioxo-3-oxa- 5,8,11-triazatridecan-13-oate","","- C21 H37 N3 O7 -","- C21 H37 N3 O7 -","- C84 H148 N12 O28 -","4","1","SF3155","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-<small>L</small>-seryl-α-aminoisobutyryl-<small>L</small>-valine methyl ester: a protected tripeptide with an allylated serine residue","Acta Crystallographica Section C","2011","67","9","o359","o363","10.1107/S0108270111029647","","","0.71073","MoKα","","0.0528","0.0418","","","0.101","0.1069","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018225","7.1493","0.0014","16.137","0.003","17.01","0.003","90","","92.95","0.03","90","","1959.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane- κ^2^<i>P</i>:<i>P</i>'][<i>O</i>-ethyl (4-methoxyphenyl)phosphonodithioato- κ^2^<i>S</i>,<i>S</i>']silver(I)] chloroform monosolvate]","","- C37 H39 Ag Cl3 O2 P3 S2 -","- C37 H39 Ag Cl3 O2 P3 S2 -","- C74 H78 Ag2 Cl6 O4 P6 S4 -","2","1","SF3156","Sun, Di; Huang, Rong-Bin","<i>catena</i>-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>'][<i>O</i>-ethyl (4-methoxyphenyl)phosphonodithioato-κ^2^<i>S</i>,<i>S</i>']silver(I)] chloroform monosolvate]","Acta Crystallographica Section C","2011","67","9","m315","m317","10.1107/S010827011103438X","","","0.71073","MoKα","","0.042","0.038","","","0.0718","0.074","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018226","13.464","0.003","18.572","0.004","20.49","0.004","77.42","0.03","89.01","0.03","77.94","0.03","4888","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(aqua-1κ<i>O</i>)tetrakis(μ-2,3-diphenylprop-2-enoato- 1:2κ^2^<i>O</i>:<i>O</i>')bis(2,3-diphenylprop-2-enoato)- 1κ<i>O</i>;2κ<i>O</i>-(ethanol-2κ<i>O</i>)bis(1,10-phenanthroline)- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-dilanthanum(III)","","- C116 H90 La2 N4 O14 -","- C116 H87 La2 N4 O14 -","- C232 H174 La4 N8 O28 -","2","1","SQ3293","Yang, Yunyun; Chai, Wenxiang; Song, Li; Lin, Jian","A photochromic dinuclear compound: aquatetrakis(μ-2,3-diphenylprop-2-enoato)bis(2,3-diphenylprop-2-enoato)ethanolbis(1,10-phenanthroline)dilanthanum(III)","Acta Crystallographica Section C","2011","67","9","m293","m296","10.1107/S0108270111030095","","","0.71075","MoKα","","0.1064","0.0585","","","0.1315","0.1694","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018227","10.64","0.002","9.272","0.0019","19.194","0.004","90","","99.55","0.03","90","","1867.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]","","- C18 H21 Ag N2 O5 S -","- C18 H21 Ag N2 O5 S -","- C72 H84 Ag4 N8 O20 S4 -","4","1","SQ3295","Wu, Dong-Liang; Liu, Li; Luo, Geng-Geng","<i>catena</i>-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]: a three-dimensional metallo-supramolecular sandwich lamellar network","Acta Crystallographica Section C","2011","67","9","m311","m314","10.1107/S0108270111032902","","","0.71073","MoKα","","0.0325","0.0283","","","0.0641","0.0676","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018228","3.6954","0.0002","9.8579","0.0007","10.4254","0.0008","116.081","0.007","97.214","0.005","97.487","0.005","331","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4,4'-bipyridinium bis(hydrogen oxalate)","4,4'-bipyridineium bis(2-hydroxy-2-oxoacetate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","SU3065","Androš, Lidija; Planinić, Pavica; Jurić, Marijana","The supramolecular architecture in 4,4'-bipyridinium bis(hydrogen oxalate)","Acta Crystallographica Section C","2011","67","9","o337","o340","10.1107/S0108270111028162","","","0.71073","MoKα","","0.0493","0.0357","","","0.0918","0.0959","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018229","4.9045","0.0003","17.1342","0.001","12.6397","0.0006","90","","90.931","0.005","90","","1062.03","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (2/1)","","- C24 H10 F10 N2 O2 -","- C24 H10 F10 N2 O2 -","- C48 H20 F20 N4 O4 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.047","0.0429","","","0.1213","0.1261","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018230","16.1015","0.0007","4.5223","0.0002","27.4753","0.0012","90","","97.315","0.004","90","","1984.35","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (5/1)","","- C42 H13 F25 N2 O5 -","- C42 H13 F25 N2 O5 -","- C84 H26 F50 N4 O10 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.0483","0.0405","","","0.1096","0.1147","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018231","4.691","0.0002","10.1688","0.0006","14.5806","0.0008","90","","98.679","0.002","90","","687.56","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis[(pyridin-2-ylmethyl)sulfanyl]ethane","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0234","0.0216","","","0.0575","0.0589","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018232","7.8247","0.0005","7.8382","0.0005","14.1408","0.0009","90","","101.297","0.003","90","","850.47","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C28 H36 Cl4 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0304","0.0243","","","0.0574","0.06","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018233","13.6599","0.0009","8.5928","0.0006","14.8979","0.0011","90","","90","","90","","1748.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C56 H72 Cl8 N8 S8 -","4","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0333","0.0302","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018234","8.0458","0.0004","8.0633","0.0004","12.2332","0.0007","106.526","0.001","97.606","0.001","93.861","0.001","749.54","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]","","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","1","0.5","SU3071","Jiang, Yun-Liang; Liu, Qing-Yan; Wang, Yu-Ling","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]","Acta Crystallographica Section C","2011","67","9","m297","m300","10.1107/S0108270111031349","","","0.71073","MoKα","","0.0283","0.0254","","","0.0664","0.0681","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018235","9.4591","0.0013","10.094","0.002","24.37","0.004","90","","90","","90","","2326.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>O</i>-Tosyl cinchonidine","<i>O</i>-Tosyl cinchonidine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0792","0.0638","","","0.1569","0.1672","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018236","6.835","0.0013","17.7364","0.0016","18.6632","0.0017","90","","90","","90","","2262.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-Tosyl cinchonine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0985","0.0509","","","0.1507","0.1765","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018237","4.2475","0.0001","12.3838","0.0002","14.0372","0.0002","90","","92.898","0.002","90","","737.42","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-2-oxindole","6-chloroindolin-2-one","","- C8 H6 Cl N O -","- C8 H6 Cl N O -","- C32 H24 Cl4 N4 O4 -","4","1","BI3021","Hachuła, Barbara; Zerzucha, Piotr; Zubko, Maciej; Kusz, Joachim","6-Chloro-2-oxindole: X-ray and DFT-calculated study","Acta Crystallographica Section C","2011","67","10","o413","o416","10.1107/S0108270111038005","","","0.71073","MoKα","","0.0263","0.0249","","","0.0677","0.0682","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018238","6.6577","0.0017","18.1234","0.0003","18.579","0.003","90","","90","","90","","2241.7","0.7","122","1","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Magnesium FDA","Hexaaquamagnesium(ii) (2,5-furandicarboxylate)","","- C6 H14 Mg O11 -","- C6 H14 Mg O11 -","- C48 H112 Mg8 O88 -","8","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0574","0.0354","","","0.0824","0.0917","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018239","9.2242","0.0005","18.4255","0.0009","6.5942","0.0008","90","","102.066","0.006","90","","1095.99","0.16","122","1","122","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nickel FDA","Hexaaquanickel(ii) (2,5-furandicarboxylate)","","- C6 H14 Ni O11 -","- C6 H14 Ni O11 -","- C24 H56 Ni4 O44 -","4","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0411","0.0281","","","0.0561","0.0601","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018240","11.6138","0.0002","13.0673","0.0003","13.9152","0.0003","90","","92.617","0.0015","90","","2109.58","0.08","150.6","","150.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","succinylcholinium diiodide","trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium diiodide","","- C14 H30 I2 N2 O4 -","- C14 H30 I2 N2 O4 -","- C56 H120 I8 N8 O16 -","4","1","BM3107","Pažout, Richard; Maixner, Jaroslav; Dušek, Michal; Kratochvíl, Bohumil","A new polymorph of succinylcholinium diiodide: comparison of succinylcholinium structures","Acta Crystallographica Section C","2011","67","10","o391","o393","10.1107/S0108270111033245","","","0.7107","MoKα","","0.0215","0.0187","","","0.0371","0.0376","","","","","","2.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018241","5.0416","0.0007","7.4621","0.001","12.1396","0.0016","80.248","0.002","80.8","0.002","75.657","0.002","432.74","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Xanthinium nitrate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9<i>H</i>-purin-7-ium nitrate monohydrate","","- C5 H7 N5 O6 -","- C5 H7 N5 O6 -","- C10 H14 N10 O12 -","2","1","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.039","0.0368","","","0.1002","0.1021","","","","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018242","5.183","0.005","24.805","0.005","7.701","0.005","90","","103.51","0.005","90","","962.7","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Xanthinium hydrogen sulfate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9<i>H</i>-purin-7-ium hydrogen sulfate monohydrate","","- C5 H8 N4 O7 S -","- C5 H8 N4 O7 S -","- C20 H32 N16 O28 S4 -","4","2","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.0301","0.0298","","","0.0794","0.0798","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018243","7.873","0.003","10.225","0.003","17.006","0.006","90","","97.014","0.004","90","","1358.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[{μ~4~-4-[(carboxyatomethyl)sulfanyl]benzoato}(<i>N</i>,<i>N</i>- dimethylformamide)zinc]","","- C12 H13 N O5 S Zn -","- C12 H13 N O5 S Zn -","- C48 H52 N4 O20 S4 Zn4 -","4","1","EM3043","Zhang, Ming-Xing; Jiao, Xiao-Yan; Chen, Xin; Huang, Kun-Lin","A binuclear zinc polymer with paddlewheel building units and intersecting helical chains based on a flexible 4-[(carboxymethyl)sulfanyl]benzoic acid ligand","Acta Crystallographica Section C","2011","67","10","m324","m326","10.1107/S0108270111032811","","","0.71073","MoKα","","0.0555","0.0367","","","0.0789","0.0907","","","","","","1.002","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018244","7.1426","0.0018","21.156","0.005","8.623","0.002","90","","108.51","0.005","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 1-ethyl-7-fluoro-4-quinolone-3-carboxylate","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H14 F N O3 -","- C14 H14 F N O3 -","- C56 H56 F4 N4 O12 -","4","1","EM3044","Langer, Vratislav; Mach, Pavel; Smrčok, Ľubomír; Plevová, Kristína; Milata, Viktor","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate: X-ray and DFT studies","Acta Crystallographica Section C","2011","67","10","o421","o424","10.1107/S0108270111038649","","","0.71073","MoKα","","0.0937","0.0536","","","0.1178","0.1318","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018245","11.4132","0.0004","8.8555","0.0003","17.1797","0.0004","90","","90.5787","0.0017","90","","1736.26","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4- tetrahydronaphthalen-2-ol","","- C20 H25 N3 O -","- C20 H25 N3 O -","- C80 H100 N12 O4 -","4","1","FA3258","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","10","o378","o381","10.1107/S0108270111036869","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018246","9.6736","0.0002","7.6203","0.0001","10.6303","0.0002","90","","107.142","0.002","90","","748.81","0.02","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Plumeridoid C","(2'R,3R,4R,4aS,7aR)-methyl 3-hydroxy-4'-[(S)-1-hydroxyethyl]-5'-oxo- 3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","FA3259","Waltenberger, Birgit; Rollinger, Judith M.; Griesser, Ulrich J.; Stuppner, Hermann; Gelbrich, Thomas","Plumeridoid C from the Amazonian traditional medicinal plant <i>Himatanthus sucuuba</i>","Acta Crystallographica Section C","2011","67","10","o409","o412","10.1107/S0108270111035761","","","1.5418","CuKα","","0.0295","0.0291","","","0.0799","0.0806","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018247","6.315","0.0003","9.8178","0.0004","9.8398","0.0004","90","","94.486","0.004","90","","608.19","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C16 H8 Br12 -","2","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","0.71073","MoKα","","0.0238","0.0153","","","0.0256","0.026","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018248","10.164","0.0009","6.5048","0.0007","19.341","0.0017","90","","102.152","0.009","90","","1250.1","0.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C32 H16 Br24 -","4","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","1.54184","CuKα","","0.0406","0.0368","","","0.0998","0.1028","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018249","4.97","0.004","9.034","0.009","15.544","0.014","90","","90","","90","","697.9","1.1","203","1","203","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","anisaldehyde","4-methoxybenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0536","0.036","","","0.0653","0.071","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018250","6.3945","0.0003","13.8939","0.0009","6.9172","0.0004","90","","103.262","0.003","90","","598.17","0.06","233","2","233","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Salicylylaldehyde","2-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.1095","0.0573","","","0.1511","0.185","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018251","5.9626","0.0002","12.9977","0.0003","9.2522","0.0002","90","","94.282","0.002","90","","715.04","0.03","173","1","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cinnamaldehyde","(2<i>E</i>)-3-phenylprop-2-enal","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0542","0.0498","","","0.1219","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018252","18.999","0.001","6.7318","0.0004","21.1835","0.0011","90","","101.887","0.004","90","","2651.2","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb1.0005 Te4 -","- N8 O88 Rb8.004 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.71069","MoKα","","0.0794","0.0367","","","0.038","0.0429","","","","","","1.5","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018253","18.77","0.004","6.645","0.004","20.8","0.007","90","","101.61","0.18","90","","2541","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","Synchrotron","","0.1251","0.1251","","","0.1149","0.1149","","","","","","3.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018254","18.604","0.004","6.583","0.002","20.295","0.011","90","","101.5","0.2","90","","2436","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.108","0.108","","","0.0923","0.0923","","","","","","2.97","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018255","18.501","0.003","6.542","0.001","20.045","0.007","90","","101.41","0.1","90","","2378.2","1.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.0981","0.0981","","","0.0854","0.0854","","","","","","2.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018256","18.344","0.004","6.473","0.003","19.62","0.01","90","","101.4","0.2","90","","2284","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.1192","0.1189","","","0.0962","0.0962","","","","","","3.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018257","7.295","0.002","7.295","0.002","10.578","0.004","90","","90","","90","","562.9","0.3","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","dysprosium molybdate","Dysprosium orthomolybdate","","- Dy2 Mo3 O12 -","- Dy2 Mo3 O12 -","- Dy4 Mo6 O24 -","2","0.25","LG3065","Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut","A tetragonal form of dysprosium orthomolybdate at room temperature","Acta Crystallographica Section C","2011","67","10","i50","i52","10.1107/S0108270111033713","","","0.71073","MoKα","","0.0373","0.0291","","","0.0425","0.0447","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018258","10.5043","0.0013","9.6449","0.0011","10.4428","0.0014","92.69","0.03","98.29","0.03","87.45","0.03","1045","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","1","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0714","0.0529","","","0.1353","0.1496","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018259","10.4957","0.0011","9.6327","0.001","10.5554","0.0011","90","","98.06","0.02","90","","1056.6","0.2","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","0.5","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0621","0.0428","","","0.1153","0.128","","","","","","1.052","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018260","32.929","0.003","10.2492","0.0006","17.634","0.0019","90","","111.1","0.012","90","","5552.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Butylpyridinium undecachlorocarbadodecaborate","","- C10 H15 B11 Cl11 N -","- C10 H15 B11 Cl11 N -","- C80 H120 B88 Cl88 N8 -","8","1","SF3157","Suarez, Sebastian A.; Foi, Ana; Eady, Shawn; Larsen, Anna; Doctorovich, Fabio","<i>N</i>-Butylpyridinium undecachlorocarbadodecaborate and comparison with similar compounds","Acta Crystallographica Section C","2011","67","10","o417","o420","10.1107/S0108270111035165","","","0.71073","MoKα","","0.1042","0.0712","","","","0.2328","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018261","7.373","0.006","13.06","0.01","16.8","0.012","89.633","0.012","88.194","0.012","84.838","0.011","1610","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,4-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","4","SK3415","Zeller, Matthias; Stouffer, Jake L.; Solomon, Virgil C.; Curtin, Larry S.","High-<i>Z</i>' and twinning behavior in 3,4-dinitrobenzoic acid","Acta Crystallographica Section C","2011","67","10","o397","o404","10.1107/S0108270111035797","","","0.71073","MoKα","","0.0836","0.0623","","","0.1516","0.1644","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018262","9.3597","0.0015","17.198","0.003","9.6857","0.0016","90","","100.187","0.002","90","","1534.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[5-(3-pyridyl-κ<i>N</i>)pyrimidine]zinc(II) bis(trifluoromethanesulfonate)","","- C20 H22 F6 N6 O10 S2 Zn -","- C20 H22 F6 N6 O10 S2 Zn -","- C40 H44 F12 N12 O20 S4 Zn2 -","2","0.5","SQ3296","Hou, Gui-Ge; Ma, Li-Ying; Dai, Xian-Ping","Tetraaquabis[5-(3-pyridyl-κ<i>N</i>)pyrimidine]zinc(II) bis(trifluoromethanesulfonate): a novel cationic complex and three-dimensional hydrogen-bonded network","Acta Crystallographica Section C","2011","67","10","m321","m323","10.1107/S0108270111036274","","","0.71073","MoKα","","0.0741","0.0658","","","0.1895","0.1994","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018263","3.9983","0.0001","9.2595","0.0002","19.8227","0.0005","89.67","0.001","84.947","0.001","86.708","0.001","729.82","0.03","292","2","292","2","","","","","","","","4","P -1","-P 1","2","<i>p</i>-phenetidinium hydrogen phthalate","4-ethoxyanilinium 2-carboxybenzoate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0522","0.0424","","","0.1115","0.1235","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018264","16.9402","0.0004","14.1463","0.0003","11.6407","0.0002","90","","90","","90","","2789.59","0.1","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","cyclohexylaminium hydrogen phthalate hemihydrate","cyclohexylaminium 2-carboxybenzoate hemihydrate","","- C14 H20 N O4.5 -","- C14 H20 N O4.5 -","- C112 H160 N8 O36 -","8","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0841","0.0478","","","0.1248","0.1474","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018265","37.574","0.003","8.5769","0.0004","15.661","0.001","90","","105.938","0.008","90","","4853","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(perchlorato-κ<i>O</i>)copper(II) perchlorate","","- C17 H27 Cl2 Cu N7 O8 -","- C17 H27 Cl2 Cu N7 O8 -","- C136 H216 Cl16 Cu8 N56 O64 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.1075","0.0485","","","0.0772","0.0876","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018266","16.498","0.003","16.912","0.003","23.552","0.005","90","","90","","90","","6571","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) bis(hexafluoridophosphate)","","- C22 H35 Cu F12 N9 P2 -","- C22 H35 Cu F12 N9 P2 -","- C176 H280 Cu8 F96 N72 P16 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.0618","0.0527","","","0.1619","0.1694","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018267","15.2796","0.0018","15.2796","0.0018","15.2796","0.0018","90","","90","","90","","3567.3","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]cobalt(II)","","- C6 H21 B6 Co N3 O13 -","- C6 H21 B6 Co N3 O13 -","- C48 H168 B48 Co8 N24 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0237","0.0229","","","0.0639","0.0645","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018268","15.2217","0.0018","15.2217","0.0018","15.2217","0.0018","90","","90","","90","","3526.9","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]nickel(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]nickel(II)","","- C6 H21 B6 N3 Ni O13 -","- C6 H21 B6 N3 Ni O13 -","- C48 H168 B48 N24 Ni8 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0536","0.0438","","","0.0921","0.107","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018269","6.9034","0.0002","11.3549","0.0004","15.3196","0.0006","70.713","0.004","83.131","0.003","89.141","0.003","1124.95","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[(μ~4~-adamantane-1,3-dicarboxylato- κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~- adamantane-1,3-dicarboxylato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^) dimagnesium]","","- C24 H28 Mg2 O8 -","- C24 H28 Mg2 O8 -","- C48 H56 Mg4 O16 -","2","1","BM3110","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Poly[(μ~4~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)dimagnesium]: a layered coordination polymer","Acta Crystallographica Section C","2011","67","11","m335","m337","10.1107/S0108270111037954","","","0.71073","MoKα","","0.0841","0.0531","","","0.1321","0.1535","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018270","12.6234","0.0003","8.90929","0.00016","17.2752","0.0003","90","","102.854","0.0011","90","","1894.18","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,3<i>RS</i>)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]- 1,2,3,4-tetrahydronaphthalen-2-ol","","- C21 H27 N3 O2 -","- C21 H27 N3 O2 -","- C84 H108 N12 O8 -","4","1","CU3006","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2<i>RS</i>,3<i>RS</i>)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","11","o469","o472","10.1107/S0108270111040844","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.65","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018271","18.229","0.002","11.7659","0.0013","8.1599","0.001","90","","94.852","0.004","90","","1743.9","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Difluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H15 F2 N O2 -","- C24 H15 F2 N O2 -","- C96 H60 F8 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0539","0.0484","","","0.1097","0.1124","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018272","17.687","0.002","12.3369","0.0014","8.1066","0.0009","90","","95.716","0.007","90","","1760.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4,6-Trifluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H14 F3 N O2 -","- C24 H14 F3 N O2 -","- C96 H56 F12 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0544","0.0385","","","0.0966","0.1058","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018273","18.259","0.004","24.104","0.006","8.4301","0.0018","90","","90","","90","","3710.2","1.5","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>N</i>-(2,3,4,5,6-Pentafluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H12 F5 N O2 -","- C24 H12 F5 N O2 -","- C192 H96 F40 N8 O16 -","8","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.1369","0.0636","","","0.1317","0.1743","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018274","9.913","0.0008","16.5329","0.0013","9.9992","0.0008","90","","98.023","0.001","90","","1622.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepin","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","EG3078","Thakuria, Ranjit; Nangia, Ashwini","Polymorphic form IV of olanzapine","Acta Crystallographica Section C","2011","67","11","o461","o463","10.1107/S0108270111043952","","","0.71073","MoKα","","0.0506","0.0466","","","0.1164","0.1192","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018275","9.068","0.003","7.513","0.002","16.126","0.004","90","","103.55","0.03","90","","1068.1","0.5","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate monohydrate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C24 H48 N8 O28 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0745","0.0553","","","0.1283","0.1342","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018276","9.172","0.003","14.802","0.004","7.589","0.002","90","","104.35","0.03","90","","998.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H10 N2 O6 P2 -","- C6 H10 N2 O6 P2 -","- C24 H40 N8 O24 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.1386","0.0482","","","0.0485","0.0563","","","","","","0.815","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018277","7.667","0.002","8.364","0.002","9.283","0.003","109.41","0.03","105.31","0.03","92.39","0.03","536","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hydrogen {phosphono[(2-chloropyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H9 Cl N2 O6 P2 -","- C6 H9 Cl N2 O6 P2 -","- C12 H18 Cl2 N4 O12 P4 -","2","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0303","0.0273","","","0.0735","0.0747","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018278","8.555","0.002","7.585","0.002","24.56","0.005","90","","94.32","0.03","90","","1589.2","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","bis(6-chloropyridin-3-aminium) [hydrogen bis({[2-chloropyridin-1-ium-3-yl(0.5+)]amino}methylenediphosphonate)]","","- C22 H28 Cl4 N8 O12 P4 -","- C22 H28 Cl4 N8 O12 P4 -","- C44 H56 Cl8 N16 O24 P8 -","2","0.5","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0677","0.0412","","","0.0851","0.0897","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018279","9.7764","0.0015","12.0384","0.0014","12.8889","0.0015","81.491","0.003","72.328","0.005","88.39","0.005","1429.2","0.3","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","3-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.053","0.0366","","","0.1042","0.1115","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018280","12.2261","0.0005","16.9779","0.0007","14.4537","0.0006","90","","106.896","0.0013","90","","2870.7","0.2","190","1","190","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C120 H80 Cl8 N24 O32 -","8","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0507","0.0416","","","0.117","0.1226","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018281","6.9197","0.0005","14.4263","0.0012","14.475","0.0009","81.704","0.002","79.0781","0.0018","85.647","0.002","1402.2","0.18","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0852","0.0574","","","0.1426","0.1538","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018282","4.0969","0.0006","4.0969","0.0006","13.602","0.003","90","","90","","120","","197.72","0.06","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","scandium telluride","","- Sc Te -","- Sc Te -","- Sc4 Te4 -","4","0.166667","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0377","0.0358","","","0.0785","0.0805","","","","","","1.566","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018283","8.059","0.003","8.059","0.003","3.907","0.003","90","","90","","90","","253.7","0.2","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","triyttrium digold","","- Au2 Y3 -","- Au2 Y3 -","- Au4 Y6 -","2","0.125","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.041","0.0297","","","0.0648","0.0687","","","","","","0.933","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018284","7.115","0.003","4.933","0.002","8.908","0.004","90","","90","","90","","312.7","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diyttrium gold","","- Au Y2 -","- Au Y2 -","- Au4 Y8 -","4","0.5","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0314","0.0258","","","0.056","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018285","14.9026","0.0015","7.8804","0.0008","7.4012","0.0007","90","","104.836","0.001","90","","840.21","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis(bromomethyl)-1,3-dithiol-2-one","","- C5 H4 Br2 O S2 -","- C5 H4 Br2 O S2 -","- C20 H16 Br8 O4 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.018","0.0164","","","0.043","0.0435","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018286","15.078","0.003","8.1736","0.0014","8.3628","0.0015","90","","99.188","0.002","90","","1017.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","","- C5 H8 O7 P2 S2 -","- C5 H8 O7 P2 S2 -","- C20 H32 O28 P8 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.0254","0.024","","","0.0676","0.0686","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018287","13.9959","0.0005","13.9959","0.0005","13.9959","0.0005","90","","90","","90","","2741.59","0.17","123","2","123","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","cobalt(II) dicarbonate trisodium chloride","","- C2 Cl Co Na3 O6 -","- C2 Cl Co Na3 O6 -","- C32 Cl16 Co16 Na48 O96 -","16","0.166667","FN3091","Zheng, Yanzhen; Ellern, Arkady; Kögerler, Paul","A spin-frustrated cobalt(II) carbonate pyrochlore network","Acta Crystallographica Section C","2011","67","11","i56","i58","10.1107/S0108270111043605","","","0.71073","MoKα","","0.0157","0.0155","","","0.0467","0.0468","","","","","","1.301","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018288","18.068","0.004","9.346","0.002","18.209","0.004","90","","96.421","0.006","90","","3055.5","1.2","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-benzene-1,2,4,5-tetracarboxylato)bis[μ~2~-1,3- bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","","- C59 H68 Co2 N6 O25 -","- C59 H68 Co2 N6 O25 -","- C118 H136 Co4 N12 O50 -","2","0.5","GG3260","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ~2~-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","Acta Crystallographica Section C","2011","67","11","m367","m370","10.1107/S0108270111043551","","","0.71073","MoKα","","0.057","0.0423","","","0.1054","0.115","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018289","12.5738","0.0001","12.5738","0.0001","19.5895","0.0003","90","","90","","90","","3097.11","0.06","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","poly[dicaesium(I) hexaaquacobalt(II) [octaaqua-tetra-μ-citrato-hexacobalt(II)] dodecahydrate]","","- C24 H68 Co7 Cs2 O54 -","- C24 H56 Co7 Cs2 O54 -","- C48 H112 Co14 Cs4 O108 -","2","0.25","GZ3201","Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando","A square two-dimensional polymer of cobalt citrate cubanes","Acta Crystallographica Section C","2011","67","11","m359","m363","10.1107/S0108270111043587","","","0.71073","MoKα","","0.0454","0.0372","","","0.0918","0.0935","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018290","12.6198","0.0003","7.8465","0.0002","10.7699","0.0003","90","","92.2261","0.0017","90","","1065.64","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1<i>H</i>-1,2,3-triazole","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","GZ3202","Stöger, Berthold; Lumpi, Daniel; Fröhlich, Johannes","4-[(<i>Z</i>)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1<i>H</i>-1,2,3-triazole: an order‒disorder (OD) interpretation of twinning","Acta Crystallographica Section C","2011","67","11","o464","o468","10.1107/S0108270111043083","","","0.71073","MoKα","","0.0718","0.0479","","","0.1009","0.1114","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018291","11.817","0.003","9.871","0.002","14.106","0.003","90","","95.305","0.004","90","","1638.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2-(carboxylatomethyl)benzoato- κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^]-bis(1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)]","","- C15 H14 Cu N4 O4 -","- C15 H14 Cu N4 O4 -","- C60 H56 Cu4 N16 O16 -","4","1","KU3055","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[[μ~3~-2-(carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^]bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]","Acta Crystallographica Section C","2011","67","11","m342","m345","10.1107/S0108270111041187","","","0.71073","MoKα","","0.0573","0.0417","","","0.0992","0.1091","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018292","36.627","0.004","12.5071","0.001","7.5769","0.0004","90","","90","","90","","3471","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine","","- C21 H14 N4 O2 S -","- C21 H14 N4 O2 S -","- C168 H112 N32 O16 S8 -","8","1","LG3066","Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data","Acta Crystallographica Section C","2011","67","11","o425","o427","10.1107/S0108270111039916","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.667","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018293","12.8309","0.0002","14.0813","0.0002","19.1638","0.0003","73.0175","0.0006","76.4127","0.0005","86.6877","0.0006","3218.56","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(dimethylamine‒dimethylaminoborane‒borane- κ^2^<i>H</i>,<i>H</i>')dihydridobis(triisopropylphosphane- κ<i>P</i>)rhodium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C54 H74 B3 F24 N2 P2 Rh -","- C54 H74 B3 F24 N2 P2 Rh -","- C108 H148 B6 F48 N4 P4 Rh2 -","2","1","OV3008","Chaplin, Adrian B.; Weller, Andrew S.","A rhodium(III) complex of the linear diborazine H~3~B·NMe~2~BH~2~·NMe~2~H: an intermediate in the dehydrocoupling of H~3~B·NMe~2~H","Acta Crystallographica Section C","2011","67","11","m355","m358","10.1107/S0108270111043447","","","0.71073","MoKα","","0.0612","0.0472","","","0.1192","0.1293","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018294","5.4761","0.0011","10.477","0.002","19.896","0.004","75.31","0.03","88.67","0.03","78.54","0.03","1081.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)cadmium","","- C20 H22 Cd N4 O6 -","- C20 H22 Cd N4 O6 -","- C40 H44 Cd2 N8 O12 -","2","1","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0672","0.0557","","","0.1547","0.1611","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018295","10.321","0.002","12.923","0.003","11.495","0.002","90","","112.21","0.03","90","","1419.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(1<i>H</i>- benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II)","","- C30 H22 N8 Ni O4 -","- C30 H22 N8 Ni O4 -","- C60 H44 N16 Ni2 O8 -","2","0.5","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0412","0.0349","","","0.0917","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018296","11.1825","0.0018","6.9752","0.0012","8.793","0.0015","90","","90","","90","","685.9","0.2","297","2","297","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Racemic epi-inosose","(2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>SR</i>)-<i>epi</i>-inosose","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","SF3158","Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.","Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose","Acta Crystallographica Section C","2011","67","11","o435","o438","10.1107/S0108270111039412","","","0.71073","MoKα","","0.0265","0.0263","","","0.0679","0.068","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018297","7.6094","0.0005","12.9888","0.0006","20.8838","0.0014","90","","99.179","0.005","90","","2037.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminopyrimidine‒6-propyl-2-thiouracil (1/2)","2-aminopyrimidine bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C18 H25 N7 O2 S2 -","- C18 H25 N7 O2 S2 -","- C72 H100 N28 O8 S8 -","4","1","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.047","0.0366","","","0.0983","0.1047","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018298","37.9355","0.0012","76.88","0.003","10.5666","0.0003","90","","90","","90","","30817.3","1.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide‒6-propyl-2-thiouracil (1/2)","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C23 H31 N7 O4 S2 -","- C23 H31 N7 O4 S2 -","- C1104 H1488 N336 O192 S96 -","48","3","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0742","0.0468","","","0.0891","0.0966","","","","","","0.906","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018299","10.434","0.0006","11.132","0.0006","28.709","0.0017","90","","90","","90","","3334.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-propyl-2-thiouracil","6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0918","0.0463","","","0.0815","0.0926","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018300","14.4471","0.0018","7.5774","0.0007","11.7526","0.0015","90","","107.279","0.01","90","","1228.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C48 H52 Cl4 N16 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1469","0.131","","","0.3237","0.3333","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018301","13.5596","0.0009","7.7212","0.0004","16.287","0.0011","90","","111.609","0.005","90","","1585.35","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine dimethyl sulfoxide monosolvate","","- C14 H19 Cl N4 O S -","- C14 H19 Cl N4 O S -","- C56 H76 Cl4 N16 O4 S4 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.0475","0.0409","","","0.1048","0.1096","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018302","9.5221","0.0014","10.8372","0.0015","18.65","0.002","101.937","0.011","99.555","0.011","98.892","0.012","1820.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine <i>N</i>-methylpyrrolidin-2-one monosolvate","","- C17 H22 Cl N5 O -","- C17 H22 Cl N5 O -","- C68 H88 Cl4 N20 O4 -","4","2","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1571","0.0787","","","0.1915","0.2264","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018303","6.7742","0.0006","9.2265","0.0008","17.3345","0.0015","95.363","0.007","92.435","0.007","93.783","0.007","1075.06","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,5'-(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diyl)bis(azanediyl)bis(1- methylpyrrolidin-2-one)","","- C22 H27 Cl N6 O2 -","- C22 H27 Cl N6 O2 -","- C44 H54 Cl2 N12 O4 -","2","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1026","0.0613","","","0.1461","0.1607","","","","","","0.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018304","8.1262","0.0014","10.5663","0.0019","10.8076","0.0019","73.15","0.003","78.568","0.003","83.055","0.003","868.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazoly-1-yl)acetato]cadmium]","","- C16 H14 Cd N8 O4 -","- C16 H14 Cd N8 O4 -","- C32 H28 Cd2 N16 O8 -","2","1","WQ3007","Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan","The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium]","Acta Crystallographica Section C","2011","67","11","m364","m366","10.1107/S0108270111042570","","","0.71073","MoKα","","0.0367","0.0315","","","0.0637","0.0653","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018305","10.059","0.002","13.618","0.003","13.544","0.004","90","","104.446","0.002","90","","1796.6","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate","","- C17 H13 F6 Fe O3 P S -","- C17 H13 F6 Fe O3 P S -","- C68 H52 F24 Fe4 O12 P4 S4 -","4","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0569","0.0462","","","0.0863","0.0891","","","","","","1.284","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018306","7.2067","0.001","7.9568","0.0011","8.936","0.0013","102.475","0.001","95.493","0.002","93.399","0.002","496.33","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Phenoxathiin 10,10-dioxide","Phenoxathiin 10,10-dioxide","","- C12 H8 O3 S -","- C12 H8 O3 S -","- C24 H16 O6 S2 -","2","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0328","0.0296","","","0.07","0.072","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018307","7.7055","0.0001","13.001","0.0002","15.7794","0.0003","90","","103.224","0.001","90","","1538.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-dihydro-1,3-dimethyl-1<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.0715","0.0498","","","0.1207","0.1381","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018308","13.158","0.002","15.63","0.003","3.854","0.001","90","","90","","90","","792.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,7-dihydro-1,3-dimethyl-1<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.1411","0.0881","","","0.1726","0.2022","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018309","10.641","0.005","5.134","0.002","19.096","0.008","90","","90","","90","","1043.2","0.8","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,5-bis(thiophen-2-yl)-1,3,4-selenadiazole","","- C10 H6 N2 S2 Se -","- C10 H6 N2 S2 Se -","- C40 H24 N8 S8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0687","0.0538","","","0.1031","0.1156","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018310","13.382","0.005","5.5247","0.0018","16.524","0.005","90","","94.528","0.008","90","","1217.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-phenyl-1,3,4-selenadiazole","","- C14 H9 Cl N2 Se -","- C14 H9 Cl N2 Se -","- C56 H36 Cl4 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0902","0.0786","","","0.2124","0.2257","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018311","8.5036","0.0015","25.21","0.005","11.116","0.002","90","","96.814","0.005","90","","2366.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(furan-2-yl)-5-(<i>p</i>-tolyl)-1,3,4-selenadiazole","","- C13 H10 N2 O Se -","- C13 H10 N2 O Se -","- C104 H80 N16 O8 Se8 -","8","2","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0768","0.0572","","","0.1316","0.1468","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018312","13.036","0.004","5.465","0.0014","16.274","0.005","90","","101.86","0.007","90","","1134.6","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0484","0.0411","","","0.0751","0.0806","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018313","26.763","0.01","5.796","0.002","7.213","0.003","90","","103.885","0.009","90","","1086.2","0.7","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","0.5","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0742","0.0655","","","0.1552","0.1665","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018314","7.7256","0.0004","19.3792","0.0011","15.2486","0.0008","90","","94.404","0.002","90","","2276.2","0.2","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒pyrrolidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/1)","","- C10 H9 Cl2 N O5 -","- C10 H9 Cl2 N O5 -","- C80 H72 Cl16 N8 O40 -","8","2","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0445","0.0384","","","0.1041","0.1079","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018315","4.9665","0.0003","7.4767","0.0004","11.8445","0.0006","106.79","0.0019","90.299","0.002","108.734","0.002","396.43","0.04","180","1","180","1","","","","","","","","5","P -1","-P 1","2","chloranilic acid‒pyrrolidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/2)","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0326","0.0295","","","0.0797","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018316","9.41079","0.00017","8.069","0.0004","18.1026","0.0003","90","","115.14","0.0007","90","","1244.42","0.07","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒piperidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/1)","","- C11 H11 Cl2 N O5 -","- C11 H11 Cl2 N O5 -","- C44 H44 Cl8 N4 O20 -","4","1","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0302","0.029","","","0.082","0.083","","","","","","1.061","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018317","17.8438","0.0005","5.4253","0.0003","19.5958","0.0005","90","","114.066","0.0007","90","","1732.14","0.12","180","1","180","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chloranilic acid‒piperidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/2)","","- C16 H20 Cl2 N2 O6 -","- C16 H20 Cl2 N2 O6 -","- C64 H80 Cl8 N8 O24 -","4","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0351","0.0312","","","0.0821","0.0831","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018318","8.1014","0.0005","11.3554","0.001","13.5762","0.0011","102.755","0.007","90.013","0.008","108.268","0.007","1153.47","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","","- C29 H22 Cl N3 O -","- C29 H22 Cl N3 O -","- C58 H44 Cl2 N6 O2 -","2","1","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0658","0.0429","","","0.088","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018319","11.1911","0.0009","11.4258","0.0008","20.095","0.002","97.411","0.006","93.272","0.007","107.635","0.006","2415.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- (4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-\ 5(1<i>H</i>)-one","","- C30 H24 Cl N3 O2 -","- C30 H24 Cl N3 O2 -","- C120 H96 Cl4 N12 O8 -","4","2","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0935","0.0484","","","0.0963","0.1152","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018320","7","0.002","13.401","0.004","8.805","0.003","90","","95.183","0.004","90","","822.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate","","- C15 H17 Cl F6 Fe N P -","- C15 H17 Cl F6 Fe N P -","- C30 H34 Cl2 F12 Fe2 N2 P2 -","2","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.0906","0.0805","","","0.1994","0.2064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018321","10.9764","0.0011","9.4221","0.001","19.393","0.002","90","","91.608","0.001","90","","2004.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","","- C21 H22 F6 Fe N O P -","- C21 H22 F6 Fe N O P -","- C84 H88 F24 Fe4 N4 O4 P4 -","4","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.052","0.0372","","","0.1088","0.1217","","","","","","0.854","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018322","14.0867","0.0012","9.4898","0.0007","12.2656","0.0009","90","","115.381","0.004","90","","1481.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dichloro-9<i>H</i>-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C40 H16 Cl16 N32 -","8","2","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","1.54178","CuKα","","0.0792","0.0512","","","0.1339","0.1539","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018323","5.5716","0.0009","9.582","0.0016","13.159","0.002","90","","90","","90","","702.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-dichloro-7<i>H</i>-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C20 H8 Cl8 N16 -","4","1","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","0.71073","MoKα","","0.0378","0.0326","","","0.0694","0.0709","","","","","","1.381","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018324","8.0821","0.0008","11.2521","0.0011","12.9231","0.0013","106.242","0.008","106.063","0.009","106.102","0.008","1000.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium) γ-octamolybdate(VI) dihydrate]","","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","1","0.5","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0314","0.0242","","","0.0583","0.06","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018325","22.5418","0.0014","20.4965","0.001","12.5203","0.0008","90","","110.27","0.008","90","","5426.5","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium) α-dodecamolybdo(VI)silicate tetrahydrate","","- C20 H40 Mo12 N8 O44 Si -","- C20 H40 Mo12 N8 O44 Si -","- C80 H160 Mo48 N32 O176 Si4 -","4","1","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0323","0.0269","","","0.0552","0.056","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018326","4.9301","0.0008","4.9301","0.0008","27.561","0.006","90","","90","","120","","580.15","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","dodecalithium dodecacopper tetradecaaluminium","","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","1","0.0277778","KU3057","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Chumak, Ihor; Ehrenberg, Helmut","Li~12~Cu~12.60~Al~14.37~: a new ternary derivative of the binary Laves phases","Acta Crystallographica Section C","2011","67","12","i59","i62","10.1107/S0108270111048566","","","0.71073","MoKα","","0.0571","0.0556","","","0.1568","0.1584","","","","","","1.252","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018327","16.3418","0.0002","16.3418","0.0002","16.6448","0.0002","90","","90","","90","","4445.07","0.09","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","<i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","","- C20 H24 N6 O6 Ru -","- C20 H24 N6 O6 Ru -","- C160 H192 N48 O48 Ru8 -","8","0.25","MX3053","Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle","The three-dimensional intermolecular network formed <i>via</i> water molecules in <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","Acta Crystallographica Section C","2011","67","12","m375","m377","10.1107/S0108270111044672","","","0.71073","MoKα","","0.0287","0.018","","","0.0473","0.0491","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018328","9.9037","0.0004","11.5575","0.0004","16.727","0.0006","90","","90","","90","","1914.61","0.12","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-Sulfoethylammonium hexafluoridoantimonate","","- C2 H8 F6 N O3 S Sb -","- C2 H8 F6 N O3 S Sb -","- C16 H64 F48 N8 O24 S8 Sb8 -","8","1","OV3009","Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas","2-Sulfoethylammonium hexafluoridoantimonate","Acta Crystallographica Section C","2011","67","12","m400","m402","10.1107/S0108270111047548","","","0.71073","MoKα","","0.0243","0.0183","","","0.0421","0.043","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018329","12.735","0.0016","11.6945","0.0015","15.3357","0.0018","90","","93.546","0.003","90","","2279.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sulfapyridine III","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C88 H88 N24 O16 S8 -","8","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0399","0.0347","","","0.0923","0.096","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018330","9.0258","0.001","9.9264","0.0012","17.988","0.002","90","","100.72","0.003","90","","1583.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine dioxane solvate","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate","","- C15 H19 N3 O4 S -","- C15 H19 N3 O4 S -","- C60 H76 N12 O16 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0548","0.0504","","","0.1536","0.1571","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018331","11.212","0.002","12.449","0.002","11.6209","0.0019","90","","99.888","0.005","90","","1597.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0664","0.053","","","0.1531","0.1625","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018332","8.6639","0.0016","12.586","0.002","15.833","0.003","90","","105.447","0.006","90","","1664.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfapyridine piperidine solvate","piperidin-1-ium 4-amino-<i>N</i>-(pyridin-2-yl)benzenesulfonamidate","","- C16 H22 N4 O2 S -","- C16 H22 N4 O2 S -","- C64 H88 N16 O8 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0576","0.0374","","","0.0826","0.0902","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018333","9.8901","0.0014","10.4992","0.0014","15.883","0.002","90","","96.631","0.002","90","","1638.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-pentaaqua-1κ^5^<i>O</i>-(μ-2-sulfidoacetato- 1:2κ^3^<i>O</i>:<i>O</i>',<i>S</i>)bis(2-sulfidoacetato- 2κ^2^<i>O</i>,<i>S</i>)manganese(II)tin(IV)","","- C6 H16 Mn O11 S3 Sn -","- C6 H16 Mn O11 S3 Sn -","- C24 H64 Mn4 O44 S12 Sn4 -","4","1","QS3008","Song, Li; Ling, Chun; Wang, Xinping","A novel heterometallic dinuclear compound: <i>rac</i>-pentaaqua-1κ^5^<i>O</i>-(μ-2-sulfidoacetato-1:2κ^3^<i>O</i>:<i>O</i>',<i>S</i>)bis(2-sulfidoacetato-2κ^2^<i>O</i>,<i>S</i>)manganese(II)tin(IV)","Acta Crystallographica Section C","2011","67","12","m384","m386","10.1107/S0108270111047329","","","0.71075","MoKα","","0.0199","0.0183","","","0.0428","0.0438","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018334","14.178","0.004","9.481","0.003","15.901","0.004","90","","105.772","0.004","90","","2057","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(μ~6~-2,4,6- trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)]","","- C44 H34 Cd3 N4 O12 -","- C44 H34 Cd3 N4 O12 -","- C88 H68 Cd6 N8 O24 -","2","0.5","SK3421","Guo, Jie; Zhang, Liang-Liang; He, Hai-Yan; Li, Xiao-Wei; Sun, Di","Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(μ~6~-2,4,6-trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)], a two-dimensional `Kagomé dual' (kgd) sheet structure","Acta Crystallographica Section C","2011","67","12","m387","m390","10.1107/S0108270111048591","","","0.71073","MoKα","","0.037","0.0275","","","0.0634","0.0682","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018335","10.8128","0.0008","8.4293","0.0004","10.9321","0.0009","90","","118.192","0.008","90","","878.2","0.12","120","","120","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(3a<i>RS</i>,7a<i>RS</i>)-1,3-dinitroso-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-benzimidazole","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C28 H48 N16 O8 -","4","1","UK3034","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","The disordered molecular structure of (3a<i>RS</i>,7a<i>RS</i>)-1,3-dinitrosooctahydro-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2011","67","12","o505","o508","10.1107/S0108270111046397","","","1.5418","CuKα","","0.0475","0.0403","","","0.1103","0.1147","","","","","","1.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018336","9.0669","0.0018","7.7778","0.0016","30.135","0.006","90","","93.148","0.002","90","","2121.9","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)- <i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0684","0.0512","","","0.1213","0.1327","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018337","15.53","0.004","8.831","0.002","17.108","0.004","90","","115.766","0.003","90","","2113","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)- <i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0812","0.0478","","","","0.1107","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018338","13.2648","0.0007","16.6182","0.0009","17.679","0.001","90.557","0.001","110.485","0.001","108.261","0.001","3435.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","<i>cyclo</i>-tetra-μ~2~-hydroxido-dodeca-μ~2~-isobutyrato- κ^24^<i>O</i>:<i>O</i>'-octa-μ~2~-phenolato-octairon(III) phenol hexasolvate monohydrate","","- C132 H166 Fe8 O43 -","- C132 H164 Fe8 O43 -","- C132 H164 Fe8 O43 -","1","0.5","YF3006","Baca, Svetlana G.; Breukers, Stefanie; Ellern, Arkady; Kögerler, Paul","An octanuclear iron(III) isobutyrate wheel","Acta Crystallographica Section C","2011","67","12","m371","m374","10.1107/S010827011104412X","","","0.71073","MoKα","","0.0578","0.0432","","","0.0994","0.1083","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018339","7.2557","0.0003","8.4285","0.0004","11.0412","0.0006","90","","90","","90","","675.22","0.06","200","","200","","","","","","","","","4","P b c n","-P 2n 2ab","60","Magnesium chloride tetrahydrate","Magnesium chloride tetrahydrate","","- Cl2 H8 Mg O4 -","- Cl2 H8 Mg O4 -","- Cl8 H32 Mg4 O16 -","4","0.5","BI3028","Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang","Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O","Acta Crystallographica Section C","2012","68","1","i4","i6","10.1107/S0108270111054709","","","0.71073","MoKα","","0.0197","0.0158","","","0.0501","0.0508","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018340","15.3566","0.001","14.1309","0.0007","14.0768","0.0006","77.771","0.004","123.88","0.003","86.465","0.001","2416.9","0.3","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","<i>cyclo</i>-tetrakis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato- κ^2^<i>S</i>:<i>S</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","1","0.5","BI3030","Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo","A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section C","2012","68","1","m17","m20","10.1107/S0108270111053674","","","0.71073","MoKα","","0.1311","0.0553","","","0.0881","0.1117","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018341","29.236","0.006","5.7289","0.0011","28.417","0.006","90","","112.82","0.03","90","","4387","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'- tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","","- C20 H15 Cd I2 N O5 -","- C20 H15 Cd I2 N O5 -","- C160 H120 Cd8 I16 N8 O40 -","8","1","DT3009","Liu, Dong; Li, Ni-Ya","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'-tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","Acta Crystallographica Section C","2012","68","1","m21","m23","10.1107/S0108270111053182","","","0.71073","MoKα","","0.0539","0.0398","","","0.0836","0.0886","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018342","11.674","0.002","33.336","0.006","11.816","0.002","90","","91.479","0.003","90","","4596.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl","","- C66 H46 -","- C66 H46 -","- C264 H184 -","4","1","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0701","0.0432","","","0.0949","0.1065","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018343","19.7494","0.0009","6.1217","0.0003","20.4762","0.001","90","","109.754","0.002","90","","2329.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","","- C66 H42 F4 -","- C66 H42 F4 -","- C132 H84 F8 -","2","0.5","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0454","0.0394","","","0.1064","0.1121","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018344","10.0449","0.0002","7.5527","0.0001","24.3945","0.0005","90","","97.538","0.001","90","","1834.72","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","FA3263","Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Andrade, Marcelo B.","Probing the relationships between molecular conformation and intermolecular contacts in <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","Acta Crystallographica Section C","2012","68","1","o19","o22","10.1107/S0108270111052620","","","0.71073","MoKα","","0.0817","0.045","","","","0.1238","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018345","8.0466","0.0001","13.815","0.0002","15.3621","0.0002","87.739","0.001","89.48","0.001","79.033","0.001","1675.21","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-1κ<i>N</i>)[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>][1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 2κ<i>S</i>]bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C30 H23 Cu2 N7 O4 S6 -","- C30 H23 Cu2 N7 O4 S6 -","- C60 H46 Cu4 N14 O8 S12 -","2","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.0622","0.0362","","","0.1136","0.1183","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018346","13.2395","0.0012","10.2731","0.001","29.536","0.015","90","","93.135","0.016","90","","4011","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>]bis[1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione]- 1κ<i>S</i>;2κ<i>S</i>-bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C35 H26 Cu2 N8 O4 S7 -","- C35 H26 Cu2 N8 O4 S7 -","- C140 H104 Cu8 N32 O16 S28 -","4","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.1385","0.0672","","","0.1249","0.1537","","","","","","1.01","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018347","11.6031","0.0003","12.6132","0.0003","24.5118","0.0006","87.706","0.002","82.025","0.002","76.356","0.002","3452.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetraphenylporphyrin-21,23-diium dichloride chloroform octasolvate","","- C52 H40 Cl26 N4 -","- C52.002 H40.002 Cl26.006 N4 -","- C104.004 H80.004 Cl52.012 N8 -","2","1","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.122","0.095","","","0.2435","0.2605","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018348","14.5813","0.0012","8.6068","0.0005","14.6191","0.0011","90","","118.56","0.01","90","","1611.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C88 H56 Cu2 N8 -","2","0.5","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.0729","0.052","","","0.1376","0.1474","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018349","5.886","0.0001","11.2117","0.0003","17.0754","0.0004","90","","95.945","0.0015","90","","1120.78","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[μ~3~-succinato-calcium(II)]","","- C4 H4 Ca O4 -","- C4 H4 Ca O4 -","- C32 H32 Ca8 O32 -","8","2","KU3053","Mazaj, Matjaz; Kaucic, Venceslav; Golobic, Amalija; Zabukovec Logar, Natasa","A new layered Ca‒succinate coordination polymer","Acta Crystallographica Section C","2012","68","1","m4","m6","10.1107/S0108270111051559","","","0.71073","MoKα","","0.0446","0.0348","","","0.0996","0.1086","","","","","","0.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018350","5.3702","0.0001","27.9903","0.0004","8.8811","0.0001","90","","90","","90","","1334.95","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","lead(II) dicalcium octaaluminate","","- Al8 Ca2 O15 Pb -","- Al8 Ca2 O15 Pb -","- Al32 Ca8 O60 Pb4 -","4","0.5","LG3070","Artner, Christine; Weil, Matthias","PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion","Acta Crystallographica Section C","2012","68","1","i1","i3","10.1107/S0108270111054679","","","0.71073","MoKα","","0.0289","0.0242","","","0.0582","0.0597","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018351","9.251","0.003","6.7748","0.0017","13.256","0.004","90","","93.196","0.008","90","","829.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0822","0.0507","","","0.1211","0.1333","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018352","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0715","0.0651","","","0.1725","0.1801","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018353","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0635","0.058","","","0.1578","0.164","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018354","6.6765","0.0003","10.9615","0.0005","14.1513","0.0007","102.309","0.001","95.097","0.001","91.581","0.001","1006.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine- 2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate","","- C28 H38.68 Mn4 N4 O33.34 -","- C28 H38.676 Mn4 N4 O33.338 -","- C28 H38.676 Mn4 N4 O33.338 -","1","0.5","QS3009","Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M.","Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters","Acta Crystallographica Section C","2012","68","1","m7","m11","10.1107/S0108270111050293","","","0.71073","MoKα","","0.046","0.0355","","","0.0893","0.0955","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018355","10.6655","0.0002","12.6641","0.0002","19.5145","0.0004","90","","90","","90","","2635.8","0.08","160","1","160","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","","- C27 H36 Au Cl N2 -","- C27 H36 Au Cl N2 -","- C108 H144 Au4 Cl4 N8 -","4","0.5","SK3424","Linden, Anthony; de Haro, Teresa; Nevado, Cristina","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","Acta Crystallographica Section C","2012","68","1","m1","m3","10.1107/S0108270111051365","","","0.71073","MoKα","","0.0474","0.0241","","","0.0427","0.0504","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018356","7.5935","0.0006","10.8712","0.0009","12.8862","0.0012","95.794","0.007","100.349","0.007","92.125","0.007","1039.45","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tizanidine","5-chloro-<i>N</i>-(imidazolidin-2-ylidene)-2,1,3-benzothiadiazol-4-amine","","- C9 H8 Cl N5 S -","- C9 H8 Cl N5 S -","- C36 H32 Cl4 N20 S4 -","4","2","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.0321","0.0285","","","0.0745","0.0762","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018357","8.5321","0.0007","14.0679","0.0009","10.1266","0.0008","90","","105.856","0.006","90","","1169.24","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tizanidine hydrochloride","2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]imidazolidinium chloride","","- C9 H9 Cl2 N5 S -","- C9 H9 Cl2 N5 S -","- C36 H36 Cl8 N20 S4 -","4","1","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.046","0.0323","","","0.0759","0.0801","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018358","13.7878","0.0014","22.892","0.002","4.6367","0.0005","90","","90","","90","","1463.5","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","1","TP3005","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","1","o7","o11","10.1107/S0108270111048347","","","1.2399","synchrotron","","0.0813","0.0671","","","0.1536","0.1583","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018359","16.784","0.003","9.638","0.0008","21.699","0.004","90","","108.82","0.012","90","","3322.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-3-methyl-1,4-diphenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C160 H112 Cl8 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.065","0.0404","","","0.0875","0.0997","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018360","8.2898","0.0008","9.9191","0.0014","10.3666","0.001","87.108","0.011","86.808","0.008","85.088","0.012","847.08","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-3-methyl-4-(4-methylphenyl)-1-phenyl- pyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O -","- C21 H16 Cl N3 O -","- C42 H32 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0977","0.0502","","","0.1077","0.1297","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018361","20.868","0.003","9.603","0.004","16.924","0.009","90","","90","","90","","3391","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","6-Chloro-4-(4-chlorophenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl2 N3 O -","- C20 H13 Cl2 N3 O -","- C160 H104 Cl16 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.1057","0.0526","","","0.1187","0.1468","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018362","9.3826","0.0011","9.7781","0.0012","10.1072","0.0006","108.077","0.01","99.353","0.009","90.911","0.01","867.61","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4-bromophenyl)-6-chloro-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Br Cl N3 O -","- C20 H13 Br Cl N3 O -","- C40 H26 Br2 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0579","0.036","","","0.0701","0.0774","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018363","8.6972","0.0008","10.039","0.002","10.09","0.002","85.23","0.02","80.856","0.016","86.665","0.016","865.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-4-(4-methoxyphenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C42 H32 Cl2 N6 O4 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0504","0.0363","","","0.083","0.0901","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018364","11.7839","0.0013","9.989","0.0004","15.71","0.02","90","","106.084","0.008","90","","1777","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-3-methyl-4-(4-nitrophenyl)-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl N4 O3 -","- C20 H13 Cl N4 O3 -","- C80 H52 Cl4 N16 O12 -","4","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0787","0.048","","","0.1144","0.1339","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018365","7.3047","0.0006","8.466","0.0007","11.7559","0.001","95.747","0.001","103.926","0.001","107.716","0.001","660.25","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","bis(2-ethyl-6-methyl-3-hydroxypyridinium) butanedioate‒butanedioic acid (1/1)","bis(2-ethyl-6-methyl-3-hydroxypyridinium) succinate‒succinic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0556","0.0452","","","0.1191","0.1283","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018366","11.4951","0.0002","12.4787","0.0002","9.1986","0.0001","90","","93.886","0.001","90","","1316.45","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ethyl-6-methyl-3-hydroxypyridinium hydrogen succinate","2-ethyl-6-methyl-3-hydroxypyridinium 3-carboxypropionate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0569","0.0469","","","0.1298","0.1405","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018367","7.3434","0.0002","7.9884","0.0002","12.7593","0.0004","96.497","0.002","92.783","0.002","101.303","0.001","727.33","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium salicylate, salicylic acid adduct","hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1)","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0604","0.0414","","","0.1083","0.1231","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018368","7.376","0.005","7.915","0.005","16.778","0.005","89.248","0.005","86.963","0.005","100.609","0.005","961.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium 3-hydroxy-2-naphthoate-3-hydroxy-2-naphthoic acid","hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0498","0.0373","","","0.105","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018369","14.4531","0.0004","34.6885","0.0008","8.7114","0.0002","90","","90","","90","","4367.52","0.19","300","","298","","","","","","","","","4","P 21 21 2","P 2 2ab","18","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,11<i>S</i>, 12<i>R</i>,13<i>S</i>,14<i>S</i>)-6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)- 4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy-4,6- dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","CU3008","Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru","Clarithromycin form I determined by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2012","68","2","o41","o44","10.1107/S0108270111054230","powder diffraction","","1.3","synchrotron","","0.04213","","","","","","","","3.703","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018370","9.2884","0.0003","11.4181","0.0003","4.9018","0.0001","90","","90.597","0.002","90","","519.84","0.02","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","lithium iron tungstate","","- Fe Li O8 W2 -","- Fe Li O8 W2 -","- Fe4 Li4 O32 W8 -","4","0.5","FA3264","Albino, Marjorie; Pechev, Stanislav; Veber, Philippe; Velazquez, Matias; Josse, Michael","Cation ordering in the double tungstate LiFe(WO~4~)~2~","Acta Crystallographica Section C","2012","68","2","i7","i8","10.1107/S0108270111053832","","","0.71073","MoKα","","","0.0177","","","","0.0413","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018371","7.6075","0.0003","10.1342","0.0007","11.9062","0.0006","73.805","0.005","81.35","0.004","75.891","0.005","851.55","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O3 -","- C19 H18 Fe N2 O3 -","- C38 H36 Fe2 N4 O6 -","2","1","FA3265","Stevanović, Dragana; Pejović, Anka; Novaković, Sladjana B.; Bogdanović, Goran A.; Divjaković, Vladimir; Vukićević, Rastko D.","A new polymorph of 1-ferrocenyl-3-(3-nitroanilino)propan-1-one","Acta Crystallographica Section C","2012","68","2","m37","m40","10.1107/S0108270112000765","","","0.71073","MoKα","","0.0562","0.0418","","","0.0831","0.0911","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018372","12.296","0.002","13.054","0.003","12.308","0.003","90","","101.33","0.01","90","","1937.1","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5- diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","","- C10 H14 Ca N2 O13 P4 -","- C10 H14 Ca N2 O13 P4 -","- C40 H56 Ca4 N8 O52 P16 -","4","1","GG3267","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","Acta Crystallographica Section C","2012","68","2","m41","m44","10.1107/S0108270112001461","","","0.71073","MoKα","","0.1133","0.0442","","","0.0548","0.0631","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018373","9.7979","0.0007","10.0424","0.0008","36.052","0.003","90","","90","","90","","3547.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-phenylacetato- κ^2^<i>O</i>:<i>O</i>'] phenylacetate]","","- C16 H22 Mg O8 -","- C16 H22 Mg O8 -","- C128 H176 Mg8 O64 -","8","2","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.6884","synchrotron","","0.0506","0.037","","","0.088","0.0956","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018374","29.2249","0.001","6.6941","0.0003","17.8109","0.0005","90","","92.52","0.002","90","","3481.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato-κ^2^<i>O</i>,<i>O</i>')calcium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 Ca O7 -","- C16 H20 Ca O7 -","- C128 H160 Ca8 O56 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0897","0.0422","","","0.0858","0.1027","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018375","29.5111","0.0015","6.856","0.0005","17.7229","0.0011","90","","93.453","0.003","90","","3579.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato- κ^2^<i>O</i>,<i>O</i>')strontium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 O7 Sr -","- C16 H20 O7 Sr -","- C128 H160 O56 Sr8 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0421","0.0265","","","0.0587","0.0652","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018376","10.6277","0.0012","7.4514","0.0008","28.293","0.003","90","","95.603","0.009","90","","2229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt","","- C24 H29 Fe I N2 -","- C24 H29 Fe I N2 -","- C96 H116 Fe4 I4 N8 -","4","2","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.0544","0.0362","","","0.0592","0.0635","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018377","9.5185","0.0016","11.7851","0.0017","17.569","0.002","90","","92.835","0.012","90","","1968.4","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin- 2-ylidene)diiodidopalladium(II)","","- C42 H44 Fe2 I2 N4 Pd -","- C42 H44 Fe2 I2 N4 Pd -","- C84 H88 Fe4 I4 N8 Pd2 -","2","0.5","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.1036","0.0459","","","0.0774","0.0905","","","","","","0.847","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018378","8.804","0.0003","10.422","0.0004","14.089","0.0006","86.418","0.002","75.889","0.0019","83.016","0.002","1243.71","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","anilinium dihydrogen phosphate","","- C6 H10 N O4 P -","- C6 H10 N O4 P -","- C36 H60 N6 O24 P6 -","6","3","LG3072","Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David","Anilinium dihydrogen phosphate","Acta Crystallographica Section C","2012","68","2","o57","o60","10.1107/S0108270111054874","","","0.71073","MoKα","","0.1119","0.0508","","","0.1172","0.1441","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018379","5.9679","0.0003","9.0041","0.0006","23.1424","0.0015","90","","91.63","0.01","90","","1243.07","0.13","185.15","","185.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","chloroform‒dimethyl sulfoxide (2/1)","dimethyl sulfoxide‒trichloromethane (1/2)","","- C4 H8 Cl6 O S -","- C4 H8 Cl6 O S -","- C16 H32 Cl24 O4 S4 -","4","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.0284","0.0223","","","0.0521","0.0555","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018380","6.68","0.0012","7.7862","0.0013","8.0017","0.0015","78.019","0.01","80.008","0.01","65.665","0.01","369.13","0.12","167","","167","","","","","","","","","5","P -1","-P 1","2","dichloromethane‒dimethyl sulfoxide (1/1)","dichloromethane‒dimethyl sulfoxide (1/1)","","- C3 H8 Cl2 O S -","- C3 H8 Cl2 O S -","- C6 H16 Cl4 O2 S2 -","2","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.055","0.0398","","","0.1036","0.113","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018381","10.412","0.002","11.994","0.003","7.1077","0.0017","90","","90.743","0.004","90","","887.5","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Pyridone‒terephthalic acid‒water (2/1/2)","","- C18 H20 N2 O8 -","- C18 H20 N2 O8 -","- C36 H40 N4 O16 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0754","0.0463","","","0.0916","0.1037","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018382","4.9245","0.0004","15.7128","0.0014","10.3256","0.0009","90","","98.386","0.005","90","","790.43","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3-hydroxypyridinium) terephthalate","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0401","0.0343","","","0.0894","0.0943","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018383","10.022","0.002","22.316","0.005","10.316","0.002","90","","116.51","0.03","90","","2064.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C92 H88 Cd4 N8 O16 -","4","1","QS3010","Liu, Dong","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","Acta Crystallographica Section C","2012","68","2","m34","m36","10.1107/S0108270111055454","","","0.71073","MoKα","","0.068","0.0469","","","0.0909","0.0992","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018384","7.4673","0.0004","10.4338","0.0005","12.9911","0.0006","86.215","0.004","79.611","0.004","78.588","0.004","975.41","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","phenyl bis(2-chlorobenzylamido)phosphinate","","- C20 H19 Cl2 N2 O2 P -","- C20 H19 Cl2 N2 O2 P -","- C40 H38 Cl4 N4 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0395","0.0286","","","0.0722","0.0741","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018385","4.886","0.0008","12.192","0.002","15.838","0.003","103.714","0.017","94.636","0.015","96.099","0.015","905.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2- trifluoroacetyl)phosphoric triamide","","- C16 H15 Cl2 F3 N3 O2 P -","- C16 H15 Cl2 F3 N3 O2 P -","- C32 H30 Cl4 F6 N6 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0703","0.0375","","","0.075","0.0796","","","","","","0.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018386","7.027","0.002","20.776","0.005","8.949","0.002","90","","91.06","0.01","90","","1306.3","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","SF3160","Belandria, Lusbely M.; Mora, Asiloé J.; Delgado, Gerzon E.; Briceño, Alexander","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","Acta Crystallographica Section C","2012","68","2","o88","o91","10.1107/S0108270111054977","","","0.71073","MoKα","","0.0658","0.0499","","","0.1256","0.1388","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018387","7.6148","0.0005","8.5592","0.0006","9.3406","0.0006","90","","90","","90","","608.79","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydantoin-5-acetic acid","2-(2,5-dioxoimidazolidin-4-yl)acetic acid","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0309","0.0247","","","0.0537","0.055","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018388","9.371","0.0006","5.9752","0.0003","17.8433","0.0013","90","","97.447","0.006","90","","990.68","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","orotic acid dimethyl sulfoxide monosolvate","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid dimethyl sulfoxide monosolvate","","- C7 H10 N2 O5 S -","- C7 H10 N2 O5 S -","- C28 H40 N8 O20 S4 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0539","0.0321","","","0.0672","0.0715","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018389","8.111","0.001","8.9503","0.0011","11.6804","0.0015","112.366","0.003","97.263","0.002","104.621","0.002","734.94","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium orotate‒orotic acid (1/1)","dimethylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C24 H30 N10 O16 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.1418","0.0608","","","0.0859","0.1041","","","","","","0.86","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018390","7.0176","0.0014","18.026","0.004","12.906","0.003","90","","94.94","0.03","90","","1626.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethylammonium orotate‒orotic acid (3/1)","tris(dimethylammonium) tris(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate) 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C26 H37 N11 O16 -","- C26 H37 N11 O16 -","- C52 H74 N22 O32 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0809","0.0649","","","0.1549","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018391","7.8761","0.0002","12.7102","0.0004","11.9438","0.0003","90","","98.189","0.003","90","","1183.46","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0481","0.0442","","","0.1228","0.1258","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018392","11.9311","0.0003","15.9858","0.0004","13.0768","0.0003","90","","106.799","0.001","90","","2387.68","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","2","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","0.71073","MoKα","","0.0852","0.0634","","","0.1281","0.1395","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018393","11.827","0.0003","16.1719","0.0004","18.6774","0.0005","90","","90","","90","","3572.33","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide","","- C15 H28 N4 O3 -","- C15 H28 N4 O3 -","- C120 H224 N32 O24 -","8","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0379","0.0345","","","0.0937","0.0966","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018394","6.6567","0.0003","6.995","0.0003","16.2875","0.0007","90","","97.467","0.004","90","","751.97","0.06","119.8","","119.8","","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea hydrogen fluorophosphonate","2-carbamoylguanidinium hydrogen fluorophosphonate","","- C2 H8 F N4 O4 P -","- C2 H8 F N4 O4 P -","- C8 H32 F4 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0506","0.0491","","","0.1154","0.1165","","","","","","2.31","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018395","6.6648","0.0002","6.9435","0.0002","16.2924","0.0004","90","","97.185","0.003","90","","748.04","0.04","120","0.14","120","14","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)~0.76~ (hydrogen phosphite)~0.24~","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.76/0.24)","","- C2 H8.24 F0.76 N4 O4 P -","- C2 H8.24 F0.76 N4 O4 P -","- C8 H32.96 F3.04 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0508","0.0503","","","0.1137","0.1139","","","","","","2.96","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018396","6.67841","0.00016","6.78864","0.00013","16.2696","0.0004","90","","96.588","0.002","90","","732.75","0.03","119.9","0.2","119.9","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.115 (hydrogen phosphite)0.885","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.115/0.885)","","- C2 H8.885 F0.115 N4 O4 P -","- C2 H8.885 F0.115 N4 O4 P -","- C8 H35.54 F0.46 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0194","0.0191","","","0.0466","0.0468","","","","","","1.27","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018397","6.67722","0.00016","6.8083","0.0002","16.2809","0.0004","90","","96.644","0.002","90","","735.17","0.03","119.9","0.3","119.9","0.3","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.184 (hydrogen phosphite)0.816","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.184/0.816)","","- C2 H8.816 F0.184 N4 O4 P -","- C2 H8.816 F0.184 N4 O4 P -","- C8 H35.264 F0.736 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0226","0.0225","","","0.0559","0.0561","","","","","","1.79","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018398","12.2788","0.0001","17.4866","0.0002","6.6851","0.0001","90","","90","","90","","1435.39","0.03","120","0.14","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C16 H72 F4 N32 O28 P4 -","4","0.5","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.0361","0.0335","","","0.0854","0.0862","","","","","","2.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018399","6.5362","0.0003","16.6485","0.0006","26.1629","0.0015","90","","90","","90","","2847","0.2","120","0.14","120","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C32 H144 F8 N64 O56 P8 -","8","1","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.1766","0.0698","","","0.1388","0.1928","","","","","","1.43","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018400","4.9308","0.0003","32.364","0.002","5.4922","0.0004","90","","93.654","0.001","90","","874.67","0.1","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","2-ammonio-5-chloro-4-methylbenzenesulfonate","","- C7 H8 Cl N O3 S -","- C7 H8 Cl N O3 S -","- C28 H32 Cl4 N4 O12 S4 -","4","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0448","0.0395","","","0.091","0.0932","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018401","9.1917","0.0017","6.9457","0.0011","11.8265","0.0013","90","","105.538","0.007","90","","727.4","0.2","165","2","165","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate","","- C12 H17 Cl N2 O4 S -","- C12 H17 Cl N2 O4 S -","- C24 H34 Cl2 N4 O8 S2 -","2","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0486","0.0367","","","0.0927","0.1005","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018402","6.0394","0.0012","9.4441","0.0014","11.8044","0.0016","71.078","0.011","89.466","0.016","81.207","0.017","628.83","0.19","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","2-ammonio-5-chloro-4-methylbenzenesulfonate dimethyl sulfoxide monosolvate","","- C9 H14 Cl N O4 S2 -","- C9 H14 Cl N O4 S2 -","- C18 H28 Cl2 N2 O8 S4 -","2","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0616","0.036","","","0.0762","0.0811","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018403","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0533","0.0296","","","0.0624","0.0651","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018404","7.6501","0.0009","8.9083","0.001","13.2509","0.0012","90","","123.086","0.005","90","","756.61","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido- κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]","","- C6 H12 Cu5 N10 -","- C6 H12 Cu5 N10 -","- C12 H24 Cu10 N20 -","2","0.5","WQ3010","Jia, Li-Na; Hou, Lei","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido-κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]: a unique Cu^I^‒Cu^II^ mixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH~3~)~4~]^2+^ cations","Acta Crystallographica Section C","2012","68","2","m45","m47","10.1107/S0108270112002429","","","0.71073","MoKα","","0.0386","0.0327","","","0.0882","0.0943","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018405","27.065","0.004","3.8825","0.0003","15.683","0.002","90","","103.59","0.01","90","","1601.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentalead octaindium dibismuth icosasulfide","","- Bi1.62 In8.38 Pb5 S20 -","- Bi1.622 In8.378 Pb5 S20 -","- Bi3.244 In16.756 Pb10 S40 -","2","0.5","BI3029","Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.","Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide","Acta Crystallographica Section C","2012","68","3","i12","i16","10.1107/S0108270112001011","","","0.71073","MoKα","","0.0407","0.0337","","","0.0849","0.0881","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018406","11.0737","0.0011","18.0705","0.0017","20.1156","0.0019","90","","90","","90","","4025.3","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","","- C17 H21 N3 O7 U -","- C17 H21 N3 O7 U -","- C136 H168 N24 O56 U8 -","8","1","BI3033","Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","Acta Crystallographica Section C","2012","68","3","m61","m63","10.1107/S0108270112003034","","","0.71073","MoKα","","0.0424","0.0271","","","0.0559","0.0614","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018407","16.6542","0.0016","12.2529","0.0012","13.141","0.0012","90","","101.577","0.009","90","","2627","0.4","169","2","169","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","loperamide hydrochloride anhydrate","1-[3-(dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxy- 4-(4-methylphenyl)piperidin-1-ium chloride","","- C29 H34 Cl2 N2 O2 -","- C29 H34 Cl2 N2 O2 -","- C116 H136 Cl8 N8 O8 -","4","1","BI3035","Brüning, Jürgen; Podgorski, Dragica; Alig, Edith; Bats, Jan W.; Schmidt, Martin U.","Antidiarrhetic loperamide hydrochloride","Acta Crystallographica Section C","2012","68","3","o111","o113","10.1107/S010827011200443X","","","0.71073","MoKα","","0.0645","0.0403","","","0.0871","0.0937","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018408","15.574","0.003","16.197","0.003","16.928","0.003","90","","109.21","0.03","90","","4032.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~- pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5- dicarboxylato)tetracadmium(II)] dihydrate]","","- C35 H26 Cd4 N10 O15 -","- C35 H26 Cd4 N10 O15 -","- C140 H104 Cd16 N40 O60 -","4","1","DT3011","Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang","A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]","Acta Crystallographica Section C","2012","68","3","m76","m79","10.1107/S0108270112005525","","","0.71073","MoKα","","0.0332","0.0296","","","0.107","0.1125","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018409","20.5281","0.0015","8.1474","0.0003","9.9637","0.0004","90","","90","","90","","1666.44","0.15","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trimethylurea","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C48 H120 N24 O12 -","12","1.5","EG3085","Döring, Cindy; Taouss, Christina; Jones, Peter G.","Trimethylurea","Acta Crystallographica Section C","2012","68","3","o108","o110","10.1107/S0108270112005495","","","0.71073","MoKα","","0.0325","0.0312","","","0.0864","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018410","17.3662","0.0008","17.3662","0.0008","11.4425","0.001","90","","90","","120","","2988.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","poly[ammine-μ~3~-malonato-cadmium(II)]","","- C3 H5 Cd N O4 -","- C3 H5 Cd N O4 -","- C54 H90 Cd18 N18 O72 -","18","1","FA3269","Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di","A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]","Acta Crystallographica Section C","2012","68","3","m57","m60","10.1107/S0108270112003277","","","0.71073","MoKα","","0.0146","0.0139","","","0.0349","0.0354","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018411","8.214","0.0009","11.0624","0.0012","12.1981","0.0013","94.242","0.013","108.319","0.013","102.609","0.013","1014.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","2","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0757","0.0414","","","0.0927","0.1002","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018412","7.0746","0.0006","8.1309","0.0007","11.125","0.0009","89.325","0.007","88.878","0.007","68.222","0.006","594.15","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","","- C13 H20 N2 O -","- C13 H20 N2 O -","- C26 H40 N4 O2 -","2","1","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0801","0.0619","","","0.1423","0.1518","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018413","15.53","0.002","11.2539","0.0017","26.375","0.003","90","","100.024","0.009","90","","4539.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20- tris(pentafluorophenyl)porphyrin","","- C48 H20 F19 N4 O3 P -","- C48 H20 F19 N4 O3 P -","- C192 H80 F76 N16 O12 P4 -","4","1","GG3269","Pereira, Carla F.; Fernandes, José A.; Rodrigues, João M. M.; Vilela, Sérgio M. F.; Tomé, João P. C.; Almeida Paz, Filipe A.","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","2012","68","3","o104","o107","10.1107/S0108270112002934","","","0.71073","MoKα","","0.1976","0.0844","","","0.1996","0.2714","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018414","7.5686","0.0001","8.2944","0.0002","26.425","0.0007","90","","93.944","0.001","90","","1654.95","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II)","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.0411","0.0371","","","","0.1063","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018415","7.5686","0.0003","8.3504","0.0003","25.6871","0.001","90","","93.081","0.001","90","","1621.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","","- C14 H19 Cu N3 O4 -","- C14 H19 Cu N3 O4 -","- C56 H76 Cu4 N12 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.041","0.0333","","","","0.0929","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018416","8.9484","0.0011","11.4743","0.0014","12.3985","0.0015","68.978","0.002","84.418","0.002","78.501","0.002","1164","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato- κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","","- C17 H26 La N5 O9 -","- C17 H26 La N5 O9 -","- C34 H52 La2 N10 O18 -","2","1","KU3062","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","Acta Crystallographica Section C","2012","68","3","m53","m56","10.1107/S0108270112002247","","","0.71073","MoKα","","0.0215","0.0211","","","0.0563","0.0567","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018417","4.152","0.0008","12.603","0.003","11.657","0.002","90","","90","","90","","610","0.2","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","pentanickel tetratin zinc","","- Ni3.17 Sn2.67 Zn0.67 -","- Ni3.16 Sn2.66667 Zn0.666667 -","- Ni18.96 Sn16 Zn4 -","6","0.375","KU3063","Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans","Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data","Acta Crystallographica Section C","2012","68","3","i9","i11","10.1107/S0108270112000455","","","0.71073","MoKα","","0.0318","0.0258","","","0.0666","0.0705","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018418","5.25191","0.00012","12.2401","0.0003","21.4088","0.0005","90","","93.2353","0.0007","90","","1374.05","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nimustine hydrochloride","4-amino-5-({[<i>N</i>-(2-chloroethyl)-<i>N</i>-nitrosocarbamoyl]amino}methyl)- 2-methylpyrimidin-1-ium chloride","","- C9 H14 Cl2 N6 O2 -","- C9 H14 Cl2 N6 O2 -","- C36 H56 Cl8 N24 O8 -","4","1","LG3071","Bekö, Sándor L.; Urmann, David; Lakatos, Andrea; Glaubitz, Clemens; Schmidt, Martin U.","Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-<i>N</i>-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR","Acta Crystallographica Section C","2012","68","3","o144","o148","10.1107/S0108270112005252","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018419","12.061","0.003","18.151","0.005","12.129","0.003","90","","93.403","0.005","90","","2650.6","1.2","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","dodecaaquadi-μ~3~-hydroxido-deca-μ~2~-hydroxido- octacosaoxidotetracobalt(II)dodecamolybdenum(V) dodecahydrate","","- Co4 H60 Mo12 O64 -","- Co4 Mo12 O64 -","- Co8 Mo24 O128 -","2","0.5","LG3073","Ellern, Arkady; Kögerler, Paul","[Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration","Acta Crystallographica Section C","2012","68","3","i17","i19","10.1107/S0108270112006014","","","0.71073","MoKα","","0.0644","0.047","","","0.1052","0.1125","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018420","7.5657","0.0009","9.9027","0.0012","7.5819","0.0009","90","","98.05","0.002","90","","562.45","0.12","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Diammonium carbonate peroxosolvate","Diammonium carbonate hydrogen peroxide monosolvate","","- C H10 N2 O5 -","- C H10 N2 O5 -","- C4 H40 N8 O20 -","4","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0304","0.0288","","","0.0724","0.0736","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018421","17.82","0.002","5.9357","0.0008","16.888","0.002","90","","90","","90","","1786.3","0.4","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dicaesium carbonate triperoxosolvate","Dicaesium carbonate hydrogen peroxide trisolvate","","- C H6 Cs2 O9 -","- C H6 Cs2 O9 -","- C8 H48 Cs16 O72 -","8","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0218","0.0184","","","0.0452","0.0467","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018422","7.9011","0.001","11.4482","0.0015","12.4541","0.0012","90","","129.22","0.006","90","","872.74","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcymantrene","tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I)","","- C9 H5 Mn O4 -","- C9 H5 Mn O4 -","- C36 H20 Mn4 O16 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0528","0.0534","","","","","","1.003","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018423","8.0768","0.0006","11.5037","0.0008","12.3457","0.0007","90","","127.86","0.003","90","","905.63","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcyrhetrene","tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I)","","- C9 H5 O4 Re -","- C9 H5 O4 Re -","- C36 H20 O16 Re4 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0188","0.017","","","0.0407","0.0417","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018424","11.5083","0.0008","8.1027","0.0006","18.321","0.0016","90","","110.505","0.005","90","","1600.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C80 H60 Br4 Cl4 N4 O4 -","4","1","SF3167","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: sheets built by the π-stacking of hydrogen-bonded chains","Acta Crystallographica Section C","2012","68","3","o123","o125","10.1107/S0108270112004520","","","0.71073","MoKα","","0.0508","0.0337","","","0.0637","0.0685","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018425","8.6346","0.0005","21.6152","0.0012","13.6021","0.0008","90","","90","","90","","2538.7","0.3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate","","- C18 H25 Cl2 Mo2 N7 O5 -","- C18 H25 Cl2 Mo2 N7 O5 -","- C72 H100 Cl8 Mo8 N28 O20 -","4","0.5","SK3427","Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section C","2012","68","3","m73","m75","10.1107/S0108270112004507","","","0.71073","MoKα","","0.0459","0.0381","","","0.1075","0.1146","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018426","10.614","0.003","10.808","0.003","11.338","0.003","73.075","0.004","83.958","0.005","61.833","0.005","1096.2","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate","","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0186","0.0182","","","0.0454","0.0456","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018427","10.633","0.003","10.847","0.003","11.397","0.003","73.126","0.004","83.926","0.004","61.784","0.005","1107.6","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)samarium(III)] adenine monosolvate heptahydrate","","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0177","0.017","","","0.0424","0.0428","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018428","7.2248","0.0005","18.1447","0.0019","9.4504","0.0008","90","","94.279","0.006","90","","1235.42","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0882","0.0478","","","0.1147","0.1385","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018429","27.141","0.004","5.4082","0.0007","17.2849","0.0018","90","","103.275","0.009","90","","2469.4","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-fluoro-2-<i>exo</i>-(1-methyl-1<i>H</i>-pyrrol-2-yl)-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C15 H15 F N2 O -","- C15 H15 F N2 O -","- C120 H120 F8 N16 O8 -","8","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1292","0.0532","","","0.1164","0.1483","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018430","5.5265","0.0005","10.6652","0.0019","20.905","0.004","90","","97.166","0.011","90","","1222.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1141","0.0576","","","0.1387","0.1754","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018431","9.272","0.002","10.9142","0.0013","12.963","0.002","90","","101.023","0.011","90","","1287.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-fluoro-2-<i>exo</i>-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0842","0.0499","","","0.1151","0.1346","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018432","9.2106","0.0016","10.906","0.002","13.4259","0.0013","90","","106.086","0.012","90","","1295.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.099","0.0481","","","0.0882","0.1062","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018433","10.2835","0.0013","5.4829","0.0003","23.428","0.002","90","","96.665","0.009","90","","1312","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1029","0.0523","","","0.1164","0.1429","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018434","5.5088","0.0006","10.7619","0.0017","13.1398","0.0019","110.011","0.01","98.797","0.01","92.271","0.012","719.8","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-<i>exo</i>-(5-methylfuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O3 -","- C16 H14 F3 N O3 -","- C32 H28 F6 N2 O6 -","2","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.144","0.0557","","","0.1141","0.147","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018435","16.234","0.003","5.6113","0.0005","16.665","0.003","90","","106.143","0.014","90","","1458.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(3-methylthiophen-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O2 S -","- C16 H14 F3 N O2 S -","- C64 H56 F12 N4 O8 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0718","0.0477","","","0.1125","0.1279","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018436","20.412","0.0015","7.369","0.0018","10.035","0.003","90","","103.091","0.015","90","","1470.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4- epoxy-1<i>H</i>-1-benzazepine","","- C15 H11 F3 N2 O5 -","- C15 H11 F3 N2 O5 -","- C60 H44 F12 N8 O20 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1163","0.0619","","","0.1479","0.1827","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018437","7.9622","0.0002","14.3492","0.0004","14.6469","0.0004","90","","97.21","0.002","90","","1660.19","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol- 5(4<i>H</i>)-one","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","SK3431","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2012","68","3","o141","o143","10.1107/S0108270112007597","","","0.71073","MoKα","","0.0502","0.0347","","","0.0824","0.0854","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018438","10.037","0.002","5.33","0.001","29.57","0.004","90","","90","","90","","1581.9","0.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","benzyl carbamate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","UK3041","Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña","C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate","Acta Crystallographica Section C","2012","68","3","o114","o118","10.1107/S0108270112003186","","","0.71073","MoKα","","0.1365","0.0761","","","0.1916","0.2331","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018439","9.2225","0.0004","11.2741","0.0005","13.0892","0.0005","90","","95.367","0.001","90","","1354.99","0.1","296","","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","2","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0372","0.0329","","","0.0879","0.0915","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018440","28.676","0.0011","10.3705","0.0003","14.7176","0.0006","90","","90.9","0.004","90","","4376.2","0.3","292","","292","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dibenzyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C22 H18 Cl2 N2 O S2 -","- C22 H18 Cl2 N2 O S2 -","- C176 H144 Cl16 N16 O8 S16 -","8","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0394","0.0303","","","0.0821","0.0843","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018441","8.9307","0.0004","9.0858","0.0007","10.3873","0.0005","65.039","0.006","69.172","0.004","74.892","0.005","708.08","0.08","291","","291","","","","","","","","","6","P -1","-P 1","2","","dimethyl (3,4-dichlorobenzoyl)-1-methylcarbonohydrazonodithioate","","- C11 H12 Cl2 N2 O S2 -","- C11 H12 Cl2 N2 O S2 -","- C22 H24 Cl4 N4 O2 S4 -","2","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.038","0.0327","","","0.0951","0.0973","","","","","","1.148","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018442","13.368","0.0002","8.1817","0.0001","13.5158","0.0002","90","","105.415","0.001","90","","1425.08","0.04","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>'-(1,3-dithiolan-2-ylidene)-<i>N</i>-methylbenzohydrazide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","1.54178","CuKα","","0.0347","0.0343","","","0.0994","0.0999","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018443","9.5677","0.0006","9.8798","0.0004","14.7183","0.0011","104.726","0.005","104.033","0.006","103.273","0.004","1240.95","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0753","0.0469","","","0.096","0.108","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018444","9.6764","0.0005","10.6897","0.0003","14.4433","0.0005","72.018","0.003","89.108","0.003","72.494","0.003","1350.27","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C15 H17 N O S -","- C15 H17 N O S -","- C60 H68 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0894","0.0488","","","0.1104","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018445","7.9019","0.0005","10.2333","0.0007","10.4441","0.0007","112.281","0.003","95.373","0.004","104.862","0.003","737.93","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[bis(μ~4~-3-{[2-(3-hydroxy-2- oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2- diolato)dimethanoltricopper(II)]","","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","1","0.5","BG3148","Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di","A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit","Acta Crystallographica Section C","2012","68","4","m97","m99","10.1107/S0108270112009936","","","0.71073","MoKα","","0.0452","0.0322","","","0.0852","0.0927","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018446","15.12762","0.00013","15.12762","0.00013","21.0223","0.0002","90","","90","","120","","4166.31","0.06","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0418","0.0406","","0.1144","0.1127","0.1144","","","","","","1.0184","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018447","15.4995","0.0002","15.4995","0.0002","21.1346","0.0003","90","","90","","120","","4397.04","0.1","250","","250","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0611","0.0493","","0.1782","0.1542","0.1782","","","","","","0.9568","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018448","15.1327","0.0003","15.1327","0.0003","20.9326","0.0004","90","","90","","120","","4151.32","0.14","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0444","0.0408","","0.128","0.1203","0.128","","","","","","0.9825","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018449","25.7648","0.0017","10.8166","0.0007","8.0542","0.0005","90","","90","","90","","2244.6","0.2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium","","","- C26 H18 F8 O2 Rh2 -","- C26 H18 F8 O2 Rh2 -","- C104 H72 F32 O8 Rh8 -","4","0.5","BM3117","García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J.","Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)]","Acta Crystallographica Section C","2012","68","4","m113","m116","10.1107/S0108270112012930","","","0.71073","MoKα","","0.0391","0.0289","","","0.0656","0.0693","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018450","9.134","0.002","9.694","0.002","11.735","0.003","80.602","0.004","87.611","0.004","66.518","0.004","939.9","0.4","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[(dimethylamine-κ<i>N</i>)[μ~3~-(<i>E</i>)-2,6-dimethyl-4- styrylpyridine-3,5-dicarboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^]zinc(II)]","","- C19 H20 N2 O4 Zn -","- C19 H20 N2 O4 Zn -","- C38 H40 N4 O8 Zn2 -","2","1","EM3046","Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan","Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex","Acta Crystallographica Section C","2012","68","4","m90","m93","10.1107/S0108270112006051","","","0.71073","MoKα","","0.0528","0.039","","","0.0848","0.0906","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018451","12.0615","0.0004","21.2567","0.0007","17.1877","0.0006","90","","90.529","0.003","90","","4406.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","<i>N</i>,<i>N</i>'-di-<i>tert</i>-butyl-<i>N</i>'',<i>N</i>''- dimethylphosphoric triamide","<i>tert</i>-butyl[(<i>tert</i>-butylamino)(dimethylamino)phosphoryl]amine","","- C10 H26 N3 O P -","- C10 H26.0005 N3 O P -","- C120 H312.006 N36 O12 P12 -","12","6","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","0.71073","MoKα","","0.0961","0.0609","","0.1609","0.1347","0.1608","","","","","","0.9236","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018452","11.3715","0.0004","17.7755","0.0007","13.6956","0.0005","90","","119.371","0.004","90","","2412.51","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>- butyloxybis(phosphonic diamide)","({[bis(tert-butylamino)phosphoryl]oxy}(<i>tert</i>- butylamino)phosphoryl)(<i>tert</i>-butyl)amine","","- C16 H40 N4 O3 P2 -","- C16 H40 N4 O3 P2 -","- C64 H160 N16 O12 P8 -","4","1","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","1.5418","CuKα","","0.0521","0.0404","","","0.1004","0.1074","","","","","","1.6","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018453","15.1394","0.0004","7.7629","0.0003","11.069","0.0004","90","","100.628","0.002","90","","1278.58","0.08","295","2","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2',4,4'-tetrahydroxybenzophenone dihydrate","bis(2,4-dihydroxyphenyl)methanone dihydrate","","- C13 H14 O7 -","- C13 H14 O7 -","- C52 H56 O28 -","4","0.5","FA3271","Landre, I. M. R.; Martins, F. T.; Ellena, J. A.; Dos Santos, M. H.; Doriguetto, A. C.","Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone","Acta Crystallographica Section C","2012","68","4","o156","o159","10.1107/S0108270112008748","","","0.71073","MoKα","","0.0541","0.0428","","","","0.126","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018454","9.1135","0.0018","13.818","0.003","24.971","0.005","90","","95.16","0.03","90","","3131.9","1.1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane- κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato- κ^2^<i>O</i>,<i>O</i>')cerium(III)]","","- C42 H36 Ce2 F36 O18 -","- C42 H36 Ce2 F36 O18 -","- C84 H72 Ce4 F72 O36 -","2","0.5","FG3244","Fatila, Elisabeth M.; Jennings, Michael C.; Lough, Alan; Preuss, Kathryn E.","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]","Acta Crystallographica Section C","2012","68","4","m100","m103","10.1107/S0108270112010402","","","0.71073","MoKα","","0.0492","0.0347","","","0.0609","0.0654","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018455","8.9553","0.0005","8.7468","0.0005","17.0671","0.0008","90","","99.713","0.002","90","","1317.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibromodiphenylstannane","","- C12 H10 Br2 Sn -","- C12 H10 Br2 Sn -","- C48 H40 Br8 Sn4 -","4","1","FG3245","Ye, Fei; Reuter, Hans","Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides","Acta Crystallographica Section C","2012","68","4","m104","m108","10.1107/S0108270112012504","","","0.71073","MoKα","","0.0214","0.0167","","","0.0372","0.0389","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018456","12.347","0.003","4.6558","0.0012","11.607","0.003","90","","105.856","0.008","90","","641.8","0.3","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","6-bromo-2-(3-oxo-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2,3-dihydro-1<i>H</i>- indol-3-one","","- C16 H9 Br N2 O2 -","- C16 H9 Br N2 O2 -","- C32 H18 Br2 N4 O4 -","2","1","GG3263","Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou","6-Bromoindigo dye","Acta Crystallographica Section C","2012","68","4","o160","o163","10.1107/S0108270112006440","","","0.71073","MoKα","","0.0937","0.059","","","0.1265","0.1414","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018457","8.472","0.0001","22.7966","0.0003","16.8592","0.0002","90","","93.886","0.001","90","","3248.58","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol)","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","KU3064","Bond, Marcus R.; Hathaway, Bruce A.; Kilgore, Uriah J.","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols","Acta Crystallographica Section C","2012","68","4","o179","o182","10.1107/S0108270112013169","","","0.71073","MoKα","","0.0677","0.0456","","","0.1102","0.1223","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018458","22.975","0.005","5.5835","0.001","21.55","0.005","90","","116.06","0.03","90","","2483.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C120 H88 N24 O8 -","8","1","KY3010","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one: synthesis, and X-ray and DFT-calculated structures","Acta Crystallographica Section C","2012","68","4","o149","o151","10.1107/S0108270112008384","","","0.71073","MoKα","","0.1878","0.0472","","","0.0433","0.0498","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018459","7.6419","0.0004","16.2205","0.0008","23.4299","0.0012","90","","90","","90","","2904.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[diaqua((2<i>S</i>,3<i>R</i>,4<i>S</i>)-3-ethenyl-2-(β-D- glucopyranosyloxy)-4-{[(1<i>S</i>)-2,3,4,9-tetrahydro-1<i>H</i>- pyrido[3,4-<i>b</i>]indol-2-ium-1-yl]methyl}-3,4-dihydro-2<i>H</i>- pyran-5-carboxylate)sodium] chloride monohydrate]","","- C26 H38 Cl N2 Na O12 -","- C26 H38 Cl N2 Na O12 -","- C104 H152 Cl4 N8 Na4 O48 -","4","1","LG3078","de Castro, Rosane; da Matos, Carolina; Nascimento, Cláudia A. do; Oliveira, Cecília M. A.; Kato, Lucília; Lião, Luciano M.; Sabino, José R.","Absolute configuration of strictosidinic acid","Acta Crystallographica Section C","2012","68","4","m94","m96","10.1107/S0108270112010372","","","1.54178","CuKα","","0.0729","0.0628","","","","0.1589","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018460","8.4644","0.0002","19.8264","0.0005","27.9406","0.0007","90","","90","","90","","4689","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","aripiprazole nitrate","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium nitrate","","- C23 H28 Cl2 N4 O5 -","- C23 H28 Cl2 N4 O5 -","- C184 H224 Cl16 N32 O40 -","8","1","QS3012","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. I. Aripiprazole nitrate","Acta Crystallographica Section C","2012","68","4","o170","o173","10.1107/S0108270112010785","","","0.71073","MoKα","","0.0555","0.0417","","","0.095","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018461","9.2295","0.0002","11.6047","0.0003","12.9863","0.0003","102.423","0.002","99.045","0.002","106.753","0.002","1264.44","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-3,5-dichloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^; κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^- bis[(3,5-dichloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0725","0.0534","","","0.151","0.1599","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2018462","7.9153","0.0002","11.1877","0.0003","15.0623","0.0003","72.456","0.002","77.056","0.002","83.897","0.002","1238.39","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-5-chloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^- bis[(5-chloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] ethanol monosolvate","","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0403","0.0322","","","0.094","0.0964","","","","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018463","12.525","0.006","15.051","0.007","12.719","0.006","90","","106.241","0.01","90","","2302","1.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-<i>erythro</i>- pentofuranosyl)-5-[6-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)hex-1- ynyl]pyrimidin-2(1<i>H</i>)-one","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","2","SF3166","Seela, Frank; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit","Acta Crystallographica Section C","2012","68","4","o174","o178","10.1107/S0108270112010682","","","0.71073","MoKα","","0.0433","0.0361","","","0.089","0.0934","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018464","23.251","0.005","8.907","0.005","19.233","0.005","90","","101.221","0.005","90","","3907","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido- (triethanolamine)dicadmium(II)]","","- C14 H19 Cd2 Cl2 N O7 -","- C14 H19 Cd2 Cl2 N O7 -","- C112 H152 Cd16 Cl16 N8 O56 -","8","1","SF3169","He, Xiyun; Lv, Jianyi; Xu, Guohai","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium‒halide coordination polymer with a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2012","68","4","m109","m112","10.1107/S0108270112012668","","","0.71073","MoKα","","0.0253","0.0205","","","0.0453","0.0469","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018465","8.2523","0.0003","11.1475","0.0003","27.817","0.0007","90","","90","","90","","2558.96","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cyclopentylaminium cinnamate","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0418","","","","0.1067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018466","13.4992","0.0004","6.4723","0.0002","16.7352","0.0005","90","","108.61","0.002","90","","1385.72","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclohexylaminium cinnamate","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0579","","","","0.1742","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018467","5.779","0.0004","11.34","0.0011","22.751","0.0015","90","","90","","90","","1491","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0382","","","","0.0842","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018468","11.4496","0.0002","6.1011","0.0001","43.0883","0.0008","90","","93.659","0.001","90","","3003.8","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0518","","","","0.1485","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018469","24.479","0.0004","6.28","0.0004","22.634","0.0005","90","","114.894","0.002","90","","3156.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclooctylaminium cinnamate","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0604","","","","0.1595","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018470","12.699","0.0004","5.891","0.0002","14.387","0.004","90","","110.855","0.002","90","","1005.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclododecylaminium cinnamate","","- C21 H33 N O2 -","- C21 H33 N O2 -","- C42 H66 N2 O4 -","2","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0504","","","","0.1236","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018471","14.596","0.003","10.995","0.002","16.192","0.003","90","","107.96","0.03","90","","2471.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) monohydrate","","- C15 H34 Cl2 N6 Ni O10 -","- C15 H34 Cl2 N6 Ni O10 -","- C60 H136 Cl8 N24 Ni4 O40 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.154","0.057","","","0.0926","0.1359","","","","","","1.233","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018472","9.428","0.005","16.047","0.005","16.06","0.005","90","","90","","90","","2429.7","1.7","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate)","","- C15 H32 Cl2 N6 Ni O9 -","- C15 H32 Cl2 N6 Ni O9 -","- C60 H128 Cl8 N24 Ni4 O36 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0795","0.0585","","","0.1279","0.1532","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018473","16.665","0.005","9.696","0.005","13.936","0.005","90","","92.849","0.005","90","","2249","1.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}(perchlorato)nickel(II) perchlorate","","- C15 H30 Cl2 N6 Ni O8 -","- C15 H30 Cl2 N6 Ni O8 -","- C60 H120 Cl8 N24 Ni4 O32 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0646","0.0373","","","0.0862","0.0919","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018474","13.7285","0.0012","19.233","0.0018","21.171","0.002","90","","90","","90","","5590","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate","","- C20 H36.48 Cl2 N8 Ni O8.24 -","- C20 H36 Cl2 N8 Ni O8.248 -","- C160 H288 Cl16 N64 Ni8 O65.984 -","8","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.0945","0.0642","","","0.1366","0.1512","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018475","13.8506","0.0006","17.3867","0.0008","19.7476","0.0008","90","","90","","90","","4755.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin pentahydrate","(2<i>S</i>,12<i>Z</i>,14<i>E</i>,16<i>S</i>,17<i>S</i>,18<i>R</i>, 19<i>R</i>,20<i>R</i>,21<i>S</i>,22<i>R</i>,23<i>S</i>,24<i>E</i>)-21- acetyloxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl- 8-[(<i>E</i>)-<i>N</i>-(4-methylpiperazin-4-ium-1-yl)formimidoyl]-1,11-dioxo- 1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-<i>b</i>]furan- 5-olate pentahydrate","","- C43 H68 N4 O17 -","- C43 H68 N4 O17 -","- C172 H272 N16 O68 -","4","1","FA3275","Wicher, Barbara; Pyta, Krystian; Przybylski, Piotr; Tykarska, Ewa; Gdaniec, Maria","Redetermination of rifampicin pentahydrate revealing a zwitterionic form of the antibiotic","Acta Crystallographica Section C","2012","68","5","o209","o212","10.1107/S0108270112015296","","","1.54178","CuKα","","0.0508","0.0482","","","0.1321","0.1353","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018476","9.5173","0.0001","9.5173","0.0001","56.0061","0.0009","90","","90","","120","","4393.33","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","scandium dirubidium pentadecamolybdenum nonadecasulfide","","- Mo15 Rb2 S19 Sc0.43 -","- Mo15 Rb2 S19 Sc0.426 -","- Mo90 Rb12 S114 Sc2.556 -","6","0.166667","FN3104","Gougeon, Patrick; Al Rahal Al Orabi, Rabih; Gautier, Régis; Potel, Michel","Sc~0.43(2)~Rb~2~Mo~15~S~19~, a partially Sc-filled variant of Rb~2~Mo~15~S~19~","Acta Crystallographica Section C","2012","68","5","i25","i28","10.1107/S0108270112016605","","","0.71069","MoKα","","0.0308","0.0292","","","0.0619","0.0624","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018477","17.8073","0.0009","12.3587","0.0007","28.5276","0.0018","90","","98.603","0.006","90","","6207.6","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate","","- C25 H39 Cl2 N7 O6 Ru -","- C25 H39 Cl2 N7 O6 Ru -","- C200 H312 Cl16 N56 O48 Ru8 -","8","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71073","MoKα","","0.0995","0.0468","","","0.1057","0.1223","","","","","","0.87","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018478","8.1705","0.0006","10.3825","0.0011","18.1967","0.0015","92.464","0.007","96.74","0.007","103.386","0.008","1487.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","","- C21 H39 Cl2 N5 O13 Ru -","- C21 H39 Cl2 N5 O13 Ru -","- C42 H78 Cl4 N10 O26 Ru2 -","2","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71069","MoKα","","0.0748","0.0531","","","0.1267","0.1441","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018479","4.9972","0.0001","21.8972","0.0006","10.4994","0.0003","90","","90.668","0.001","90","","1148.82","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)- 2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","","- C9 H7 Ag N4 O4 S -","- C9 H7 Ag N4 O4 S -","- C36 H28 Ag4 N16 O16 S4 -","4","1","LN3150","Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min","Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","Acta Crystallographica Section C","2012","68","5","m117","m120","10.1107/S0108270112015041","","","0.71073","MoKα","","0.0512","0.048","","","0.1282","0.1309","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018480","14.6316","0.0009","14.6316","0.0009","6.6239","0.0004","90","","90","","90","","1418.07","0.15","299","","299","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<i>L</i>-tartrato- κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]","","- C6 H18 Cu N4 O12 -","- C6 H18 Cu N4 O12 -","- C24 H72 Cu4 N16 O48 -","4","0.5","SF3165","Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules","Acta Crystallographica Section C","2012","68","5","m131","m134","10.1107/S0108270112016435","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0525","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018481","9.492","0.008","9.735","0.008","16.289","0.013","90","","103.206","0.012","90","","1465","2","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)- <i>myo</i>-5-inosose","","- C35 H34 O7 -","- C35 H34 O7 -","- C70 H68 O14 -","2","1","SF3168","Gurale, Bharat P.; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Chiral crystals from an achiral molecule: 4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)-<i>myo</i>-5-inosose","Acta Crystallographica Section C","2012","68","5","o183","o187","10.1107/S0108270112010001","","","0.71073","MoKα","","0.0809","0.0728","","","0.1347","0.1377","","","","","","1.256","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018482","6.975","0.002","7.4704","0.001","12.161","0.004","102.9","0.02","92.64","0.03","101.144","0.019","603.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C24 H26 N10 O4 -","2","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.0935","0.0672","","","0.1825","0.203","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018483","11.625","0.0012","13.2225","0.0011","13.0172","0.0013","90","","101.92","0.008","90","","1957.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3- aminopropionate","","- C19 H28 N6 O3 -","- C19 H28 N6 O3 -","- C76 H112 N24 O12 -","4","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.1074","0.0588","","","0.1303","0.1544","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018484","16.825","0.002","13.181","0.0013","8.1049","0.0012","90","","92.846","0.012","90","","1795.2","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tris(pentafluorophenyl)boroxine","2,4,6-(pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane","","- C18 B3 F15 O3 -","- C18 B3 F15 O3 -","- C72 B12 F60 O12 -","4","0.5","SK3434","Tillmann, Jan; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(pentafluorophenyl)boroxine as an example","Acta Crystallographica Section C","2012","68","5","o204","o208","10.1107/S0108270112016629","","","0.71073","MoKα","","0.0491","0.0367","","","0.0971","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018485","9.6285","0.0004","11.2875","0.0005","13.5147","0.0006","90","","99.565","0.003","90","","1448.38","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.1073","0.0491","","","0.0947","0.1169","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018486","10.0891","0.001","10.981","0.002","13.7952","0.0018","90","","92.771","0.011","90","","1526.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.0873","0.0465","","","0.0893","0.1037","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018487","7.206","0.002","15.968","0.006","13.055","0.003","90","","115.049","0.013","90","","1360.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate","","- C14 H10 N2 O8 -","- C14 H10 N2 O8 -","- C56 H40 N8 O32 -","4","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0835","0.0476","","","0.1162","0.1383","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018488","17.195","0.006","12.411","0.005","17.569","0.006","90","","90","","90","","3749","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","","- C14 H14 Cl2 Mn N2 O10 -","- C14 H14 Cl2 Mn N2 O10 -","- C112 H112 Cl16 Mn8 N16 O80 -","8","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0962","0.0455","","","0.1033","0.1214","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018489","6.34","0.002","10.312","0.003","6.122","0.002","90","","90","","90","","400.2","0.2","296.2","","296.2","","","","","","","","","2","C m c m","-C 2c 2","63","","lanthanum tetrazinc","","- La Zn4 -","- La Zn4 -","- La4 Zn16 -","4","0.25","BI3038","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Griffin, Alexandra","Lanthanum tetrazinc, LaZn~4~","Acta Crystallographica Section C","2012","68","6","i37","i40","10.1107/S0108270112020367","","","0.71073","MoKα","","0.0435","0.0432","","","0.1119","0.112","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018490","13.2153","0.0004","15.9752","0.0006","18.5695","0.0006","90","","108.818","0.002","90","","3710.8","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","μ-hydrogen-bis[tris(4-fluorophenyl)phosphane oxide] triiodide","","- C36 H25 F6 I3 O2 P2 -","- C36 H25 F6 I3 O2 P2 -","- C144 H100 F24 I12 O8 P8 -","4","1","EG3082","Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane","Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide","Acta Crystallographica Section C","2012","68","6","o216","o219","10.1107/S0108270112020112","","","0.71073","MoKα","","0.0691","0.0497","","","","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018491","14.1054","0.0001","14.547","0.0001","18.7059","0.0002","90","","106.954","0.0003","90","","3671.47","0.05","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","","- C14 H24 Cl2 Co N4 -","- C14 H24 Cl2 Co N4 -","- C112 H192 Cl16 Co8 N32 -","8","2","EG3092","Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","Acta Crystallographica Section C","2012","68","6","m166","m168","10.1107/S0108270112020884","","","0.71073","MoKα","","0.045","0.0315","","","0.0709","0.0762","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018492","13.07929","0.00017","5.82873","0.00008","16.314","0.0002","90","","107.31","0.0006","90","","1187.38","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>R</i>,5<i>S</i>,5'<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>, 14<i>S</i>)-10,13-dimethyl-5'-(2-methylpropyl)tetradecahydro-6'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2<i>H</i>)- dione","","- C26 H41 N O3 -","- C26 H41 N O3 -","- C52 H82 N2 O6 -","2","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0415","0.0402","","","0.1058","0.1071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018493","6.3941","0.0002","18.144","0.0007","22.6047","0.0009","90","","90","","90","","2622.47","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (2<i>R</i>)-2-[(3<i>R</i>,5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>, 13<i>S</i>,14<i>S</i>)-10,13-dimethyl-2',17-dioxohexadecahydro-3'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,5'-[1,3]oxazolidin-3'-yl]]- 4-methylpentanoate","","- C28 H43 N O5 -","- C28 H43 N O5 -","- C112 H172 N4 O20 -","4","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0389","0.0369","","","0.0989","0.1007","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018494","6.038","0.003","10.286","0.004","20.096","0.008","90","","103.39","0.016","90","","1214.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone","","- C10 H13 B O3 S -","- C10 H13 B O3 S -","- C40 H52 B4 O12 S4 -","4","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.71073","MoKα","","0.109","0.0638","","","0.144","0.1672","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018495","6.664","0.005","9.537","0.008","10.771","0.009","102.252","0.019","93.24","0.03","94.07","0.03","665.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","","- C13 H17 B O3 -","- C13 H17 B O3 -","- C26 H34 B2 O6 -","2","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.7107","MoKα","","0.0868","0.0636","","","0.1828","0.2029","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018496","22.268","0.004","22.268","0.004","18.398","0.005","90","","90","","90","","9123","3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1,5-Bis(4-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione‒ 1,5-bis(2-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione (84/16)","","- C26 H19 Cl2 N O3 -","- C26 H19 Cl2 N O3 -","- C416 H304 Cl32 N16 O48 -","16","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0846","0.0535","","","0.1392","0.1586","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018497","10.6771","0.0019","11.5208","0.0015","15.7275","0.0013","83.956","0.011","72.795","0.013","68.204","0.014","1715.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>RS</i>,10<i>RS</i>)-8,9-bis(4-chlorobenzyl)- 10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine","","- C36 H22 Cl2 N2 O4 -","- C36 H22 Cl2 N2 O4 -","- C72 H44 Cl4 N4 O8 -","2","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0737","0.0507","","","0.1482","0.1607","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018498","8.034","0.002","9.804","0.003","12.093","0.003","74.72","0.004","80.455","0.004","86.176","0.004","905.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ClOL3m","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2- ylmethyl)guanidine]bis(perchlorato)copper(II)","","- C10 H17 Cl2 Cu N5 O10 -","- C10 H17 Cl2 Cu N5 O10 -","- C20 H34 Cl4 Cu2 N10 O20 -","2","1","FN3103","Meenongwa, Atittaya; Chaveerach, Unchulee; Blake, Alexander J.","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2-ylmethyl)guanidine]bis(perchlorato)copper(II)","Acta Crystallographica Section C","2012","68","6","m143","m146","10.1107/S0108270112015843","","","0.71073","MoKα","","0.0331","0.0308","","","","0.0807","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018499","8.7822","0.0015","10.6904","0.0018","12.044","0.002","86.662","0.002","78.93","0.002","84.014","0.002","1102.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dichloridomercury(II)]","","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0455","0.0418","","","0.1125","0.1155","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018500","9.021","0.004","11.096","0.004","11.914","0.005","81.812","0.005","78.764","0.005","81.635","0.005","1149.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dibromidomercury(II)]","","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0511","0.04","","","0.0951","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018501","8.9444","0.0016","12.352","0.002","12.052","0.002","72.641","0.002","74.882","0.002","77.62","0.002","1213.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[iodidomercury(II)]","","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0412","0.0341","","","0.0826","0.0858","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018502","5.0372","0.001","10.32","0.002","17.272","0.004","90","","90","","90","","897.9","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trilithium aluminium trimolybdate(VI)","","- Al Li3 Mo3 O12 -","- Al Li3 Mo3 O12 -","- Al4 Li12 Mo12 O48 -","4","0.5","KU3069","Bugaris, Daniel E.; Loye, Hans-Conrad zur","Li~3~Al(MoO~4~)~3~, a lyonsite molybdate","Acta Crystallographica Section C","2012","68","6","i34","i36","10.1107/S0108270112020513","","","0.71073","MoKα","","0.0274","0.0206","","","0.0447","0.0475","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018503","6.141","0.002","19.914","0.006","19.91","0.006","90","","96.537","0.006","90","","2419","1.3","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine","","- C30 H24 N8 -","- C30 H24 N8 -","- C120 H96 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0796","0.053","","","0.1051","0.1158","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018504","16.627","0.003","10.6199","0.0018","20.082","0.003","90","","113.586","0.002","90","","3249.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[dichloridomercury(II)]-μ-3,5-bis{4-[(benzimidazol-1- yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine] dichloromethane hemisolvate]","","- C30.5 H25 Cl3 Hg N8 -","- C30.5 H25 Cl3 Hg N8 -","- C122 H100 Cl12 Hg4 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0558","0.0381","","","0.0942","0.1022","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018505","10.186","0.002","11.736","0.003","22.341","0.005","90","","102.978","0.003","90","","2602.5","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}iron(II)","","- C24 H40 Fe N2 Si2 -","- C24 H40 Fe N2 Si2 -","- C96 H160 Fe4 N8 Si8 -","4","1","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0803","0.0622","","","0.1278","0.136","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018506","7.891","0.002","9.363","0.003","10.44","0.003","105.531","0.003","111.101","0.003","102.658","0.003","649.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}cobalt(II)","","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","1","0.5","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0394","0.0365","","","0.091","0.0928","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018507","14.7348","0.0005","8.3103","0.0003","20.159","0.0007","90","","92.557","0.003","90","","2466.02","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium perchlorate","","- C23 H28 Cl3 N3 O6 -","- C23 H28 Cl3 N3 O6 -","- C92 H112 Cl12 N12 O24 -","4","1","SK3436","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. II. Aripiprazole perchlorate","Acta Crystallographica Section C","2012","68","6","o235","o239","10.1107/S0108270112021348","","","0.71073","MoKα","","0.0684","0.0475","","","0.1076","0.1208","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018508","6.9808","0.0002","34.6243","0.0012","9.674","0.0004","90","","92.774","0.004","90","","2335.52","0.14","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3- methoxybenzylidene)amino]benzyl}iminomethyl)phenolato- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","","- C24 H26 N2 O7 V -","- C24 H26 N2 O7 V -","- C96 H104 N8 O28 V4 -","4","1","SK3437","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","Acta Crystallographica Section C","2012","68","6","m161","m165","10.1107/S0108270112020938","","","0.71073","MoKα","","0.0546","0.0468","","","0.0951","0.0975","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018509","11.0841","0.0016","7.8287","0.0012","17.72","0.002","90","","90","","90","","1537.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibromoborylbenzene","","- C6 H5 B Br2 -","- C6 H5 B Br2 -","- C48 H40 B8 Br16 -","8","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0771","0.0504","","","0.1003","0.1097","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018510","6.7452","0.0005","15.239","0.0012","12.4123","0.001","90","","93.841","0.006","90","","1273","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-dibromoboryl-4-(trimethylsilyl)benzene","","- C9 H13 B Br2 Si -","- C9 H13 B Br2 Si -","- C36 H52 B4 Br8 Si4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0447","0.0356","","","0.08","0.0841","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018511","29.446","0.003","29.446","0.003","4.0228","0.0004","90","","90","","90","","3488","0.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-bromo-1-(dibromoboryl)benzene","","- C6 H4 B Br3 -","- C6 H4 B Br3 -","- C96 H64 B16 Br48 -","16","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.1048","0.0704","","","0.1362","0.1494","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018512","8.9095","0.0009","9.2874","0.0013","12.9306","0.0013","90","","92.249","0.008","90","","1069.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(dimethylamino)(phenyl)borane","","- C8 H12 B Br2 N -","- C8 H12 B Br2 N -","- C32 H48 B4 Br8 N4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0764","0.0462","","","0.0945","0.1036","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018513","6.695","0.0005","11.088","0.0008","21.687","0.0016","90","","90","","90","","1609.9","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","dibromo(dimethylsulfanyl)[4-(trimethylsilyl)phenyl]borane","","- C11 H19 B Br2 S Si -","- C11 H20 B Br2 S Si -","- C44 H80 B4 Br8 S4 Si4 -","4","0.5","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0679","0.037","","","0.0752","0.0828","","","","","","0.897","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018514","12.773","0.002","27.267","0.005","12.941","0.002","90","","90","","90","","4507.1","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dichloridomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Cl6 Hg3 N13 -","- C38 H31 Cl6 Hg3 N13 -","- C152 H124 Cl24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0796","0.061","","","0.1717","0.1883","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018515","12.8037","0.0016","27.89","0.004","13.0245","0.0017","90","","90","","90","","4651","1.1","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dibromidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Br6 Hg3 N13 -","- C38 H31 Br6 Hg3 N13 -","- C152 H124 Br24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0715","0.0485","","","0.1174","0.1328","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018516","12.822","0.003","28.976","0.007","13.309","0.003","90","","90","","90","","4945","2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[diiodidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Hg3 I6 N13 -","- C38 H31 Hg3 I6 N13 -","- C152 H124 Hg12 I24 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0628","0.05","","","0.1276","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018517","7.4767","0.0016","10.861","0.002","12.475","0.002","90","","98.277","0.006","90","","1002.5","0.3","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-11(10<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.0866","0.0482","","","0.1036","0.12","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018518","8.7319","0.0008","16.0343","0.0016","19.2802","0.0018","93.029","0.005","95.427","0.005","93.662","0.005","2677.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(11-hydroxy-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-5-yl)-2- {4-[3-(1<i>H</i>-imidazol-1-yl)propyl]piperidin-1-yl}ethanone ethanol monosolvate","","- C28 H35 N5 O3 -","- C28 H35 N5 O3 -","- C112 H140 N20 O12 -","4","2","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.2457","0.0856","","","0.1878","0.2699","","","","","","0.988","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018519","13.7962","0.0002","13.7962","0.0002","13.7962","0.0002","90","","90","","90","","2625.9","0.07","190","2","190","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","iron nitrate hexahydrate","hexaaquairon(III) trinitrate","","- Fe H12 N3 O15 -","- Fe H12 N3 O15 -","- Fe8 H96 N24 O120 -","8","0.166667","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0338","0.0278","","","0.0755","0.0814","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018520","6.7693","0.0004","7.0692","0.0004","11.6734","0.0006","85.568","0.002","80.655","0.001","70.279","0.002","518.72","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","iron nitrate pentahydrate","pentaaquanitratoiron dinitrate","","- Fe H10 N3 O14 -","- Fe H10 N3 O14 -","- Fe2 H20 N6 O28 -","2","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0199","0.0193","","","0.0588","0.0592","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018521","7.0696","0.0007","15.1917","0.0016","9.4264","0.0007","90","","96.508","0.003","90","","1005.86","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iron nitrate tetrahydrate","triaquadinitratoiron(III) nitrate monohydrate","","- Fe H8 N3 O13 -","- Fe H8 N3 O13 -","- Fe4 H32 N12 O52 -","4","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.028","0.0216","","","0.0525","0.0546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018522","23.03","0.003","3.985","0.001","17.275","0.005","90","","111.33","0.01","90","","1476.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth Indium Lead Sulfide","pentalead triindium pentabismuth heptadecasulfide","","- Bi5.02 In3.05 Pb4.93 S17 -","- Bi5.019 In3.046 Pb4.935 S17 -","- Bi10.038 In6.092 Pb9.87 S34 -","2","0.5","BI3039","Winkler, H. P.; Topa, D.; Keller, E.","Pb~5~In~3~Bi~5~S~17~ [Pb~4.94(3)~In~3.05(3)~Bi~4.99(3)~S~17~] and its structural relationship with Pb~4~In~3~Bi~7~S~18~","Acta Crystallographica Section C","2012","68","7","i45","i49","10.1107/S0108270112021865","","","0.71073","MoKα","","0.0453","0.0357","","","0.0789","0.0828","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018523","14.2688","0.0008","15.0608","0.0009","15.7276","0.0009","66.226","0.001","63.654","0.001","63.7","0.001","2624","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)- κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]","","- C46 H56 Ho2 N6 O16 -","- C46 H56 Ho2 N6 O16 -","- C92 H112 Ho4 N12 O32 -","2","1","BM3118","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]","Acta Crystallographica Section C","2012","68","7","m185","m188","10.1107/S0108270112024468","","","0.71073","MoKα","","0.0382","0.0293","","","0.0651","0.0696","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018524","9.4354","0.0001","34.704","0.0005","7.6873","0.0001","90","","92.062","0.001","90","","2515.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[benzyldecyldimethylammonium [plumbate(II)-tri-μ-bromido]]","","- C19 H34 Br3 N Pb -","- C19 H34 Br3 N Pb -","- C76 H136 Br12 N4 Pb4 -","4","1","DT3013","Hodorowicz, Maciej A.; Piaskowska, Agata; Stadnicka, Katarzyna M.","Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic‒organic material with one-dimensional polymeric tribromidoplumbate(II)","Acta Crystallographica Section C","2012","68","7","m173","m176","10.1107/S0108270112023347","","","0.71073","MoKα","","0.0963","0.0392","","","0.0629","0.0757","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018525","12.5768","0.0008","16.0166","0.0009","7.1617","0.0005","90","","110.533","0.01","90","","1350.99","0.17","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride","","- C6 H8 Au Cl5 N4 -","- C6 H8 Au Cl5 N4 -","- C24 H32 Au4 Cl20 N16 -","4","0.5","EM3049","Domasevitch, Konstantin V.","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","7","m169","m172","10.1107/S0108270112024389","","","0.71073","MoKα","","0.0293","0.0267","","","0.0596","0.0603","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018526","10.6118","0.0004","5.8708","0.0002","14.4181","0.0006","90","","95.029","0.001","90","","894.79","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Volborthite","tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate","","- Cu3 H6 O11 V2 -","- Cu3 H2 O11 V2 -","- Cu12 H8 O44 V8 -","4","0.5","FA3276","Ishikawa, Hajime; Yamaura, Jun-ichi; Okamoto, Yoshihiko; Yoshida, Hiroyuki; Nilsen, Gøran J.; Hiroi, Zenji","A novel crystal polymorph of volborthite, Cu~3~V~2~O~7~(OH)~2~·2H~2~O","Acta Crystallographica Section C","2012","68","7","i41","i44","10.1107/S010827011202536X","","","0.71073","MoKα","","0.0281","0.0254","","","0.0694","0.0851","","","","","","1.46","","","","has coordinates,has Fobs","287555","2023-11-12","10:38:26",""
"2018527","12.4823","0.0019","11.8834","0.0018","8.7986","0.0013","90","","129.467","0.002","90","","1007.5","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[bis(μ~3~-cyanido-κ^3^<i>N</i>:<i>C</i>:<i>C</i>)[μ~5~-5-(pyridin-4- yl)tetrazolato- κ^5^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''':<i>N</i>'''']tricopper(I)]","","- C8 H4 Cu3 N7 -","- C8 H4 Cu3 N7 -","- C32 H16 Cu12 N28 -","4","0.5","FG3248","Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin","The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]","Acta Crystallographica Section C","2012","68","7","m194","m196","10.1107/S0108270112026625","","","0.71073","MoKα","","0.0309","0.0275","","","0.0642","0.0658","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018528","8.0316","0.0004","8.1702","0.0004","9.2085","0.0005","98.595","0.004","93.324","0.004","97.26","0.004","590.86","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2-(2-fluorophenyl)-perhydroisoindole-1,3-dione","<i>cis</i>-2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C28 H28 F2 N2 O4 -","2","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0494","0.0354","","","0.0939","0.0979","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018529","11.3688","0.0008","8.7802","0.0006","12.7989","0.001","90","","93.436","0.007","90","","1275.29","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide","<i>rac</i>-<i>cis</i>-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0895","0.0438","","","0.0824","0.0924","","","","","","0.861","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018530","10.7554","0.0003","6.6709","0.0002","16.8466","0.0004","90","","95.275","0.003","90","","1203.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-fluorophenyl)-perhydroisoindolyl-1,3-dione","<i>cis</i>-2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindoline-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C56 H56 F4 N4 O8 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0489","0.0353","","","0.0871","0.0905","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018531","5.248","0.002","11.422","0.003","14.952","0.004","84.38","0.03","82.29","0.03","79.83","0.03","871.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","baicalein‒nicotinamide (1/1)","pyridine-3-carboxamide‒5,6,7-trihydroxy-2-phenyl-4<i>H</i>-chromen-4-one (1/1)","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","1","FG3251","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:1 cocrystal of baicalein with nicotinamide","Acta Crystallographica Section C","2012","68","7","o262","o265","10.1107/S0108270112024456","","","0.71073","MoKα","","0.0996","0.0583","","","0.1709","0.1807","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018532","10.7246","0.001","7.1767","0.0006","16.3492","0.0015","90","","104.779","0.001","90","","1216.72","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-chlorophenylhydrazone","","- C14 H10 Cl N3 -","- C14 H10 Cl N3 -","- C56 H40 Cl4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0343","0.0302","","","0.0777","0.0798","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018533","10.6804","0.0008","7.315","0.0006","16.5427","0.0013","90","","105.5","0.001","90","","1245.43","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-bromophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0327","0.0279","","","0.0662","0.0677","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018534","8.9757","0.0011","20.547","0.002","7.3703","0.0009","90","","95.137","0.002","90","","1353.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-iodophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.03","0.0248","","","0.0558","0.0578","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018535","7.7963","0.0006","9.8952","0.0008","16.5695","0.0013","90","","91.07","0.001","90","","1278.05","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-bromobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0267","0.023","","","0.0567","0.0581","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018536","7.9108","0.0008","10.0376","0.0011","16.6958","0.0018","90","","90.871","0.002","90","","1325.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-iodobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0299","0.0254","","","0.0659","0.068","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018537","9.7426","0.0008","6.1015","0.0005","21.7139","0.0018","90","","96.175","0.001","90","","1283.28","0.18","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(<i>E</i>)-4-chlorobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","2","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0591","0.046","","","0.1159","0.1256","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018538","6.126","0.0007","16.404","0.002","12.951","0.0016","90","","101.091","0.002","90","","1277.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-nitrobenzaldehyde 4-chlorophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0659","0.041","","","0.1056","0.118","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018539","15.6514","0.0005","15.6514","0.0005","13.06","0.0004","90","","90","","90","","3199.26","0.17","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","[5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","","- C45 H28 N4 Ni O -","- C45 H28 N4 Ni O -","- C180 H112 N16 Ni4 O4 -","4","0.25","FG3258","Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A.","An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","Acta Crystallographica Section C","2012","68","7","m197","m199","10.1107/S010827011202642X","","","0.71073","MoKα","","0.0318","0.028","","","0.0778","0.0797","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018540","11.0907","0.0016","11.1644","0.0016","13.48","0.002","90","","101.664","0.002","90","","1634.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chlorido{2,2-dimethyl-<i>N</i>-[(<i>E</i>)-1-(pyridin-2-yl)ethylidene]propane- 1,3-diamine}platinum(II) tetrafluoridoborate","","- C12 H19 B Cl F4 N3 Pt -","- C12 H19 B Cl F4 N3 Pt -","- C48 H76 B4 Cl4 F16 N12 Pt4 -","4","1","FN3105","Salmond, Rosanne C.; Munro, Orde Q.","π‒π Dimerization of a mono(pyridyl‒imine) platinum(II) chelate","Acta Crystallographica Section C","2012","68","7","m189","m193","10.1107/S0108270112023748","","","0.71073","MoKα","","0.0305","0.0288","","","0.074","0.0752","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018541","10.306","0.0004","6.0041","0.0002","4.69281","0.00015","90","","90","","90","","290.383","0.018","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate","Lithium iron phosphate","","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","1","0.125","FN3107","Dal Bo, Fabrice; Hatert, Frédéric","Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate","Acta Crystallographica Section C","2012","68","7","i53","i54","10.1107/S0108270112026649","","","0.7107","MoKα","","0.0305","0.0284","","","0.0707","0.0721","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018542","13.4722","0.0006","16.4269","0.0008","14.8673","0.0007","90","","108.243","0.002","90","","3124.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-2,3-Dichlorobenzylidene]-7'-(2,3-dichlorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H26 Cl4 N2 O2 S -","- C35 H26 Cl4 N2 O2 S -","- C140 H104 Cl16 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0818","0.0469","","","0.1129","0.1337","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018543","14.8802","0.0005","9.6789","0.0003","20.2209","0.0006","90","","104.155","0.002","90","","2823.87","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-4-fluorobenzylidene]-7'-(4-fluorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 F2 N2 O2 S -","- C35 H28 F2 N2 O2 S -","- C140 H112 F8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0717","0.0428","","","0.1115","0.1403","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018544","14.2275","0.0007","15.6753","0.0008","15.378","0.0007","90","","116.761","0.002","90","","3062.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5''-[(<i>E</i>)-4-bromobenzylidene]-7'-(4-bromophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 Br2 N2 O2 S -","- C35 H28 Br2 N2 O2 S -","- C140 H112 Br8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0871","0.0444","","","0.117","0.1411","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018545","14.668","0.003","10.242","0.002","17.191","0.003","90","","90","","90","","2582.6","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate","","- C18 H34 Cl N O14 -","- C18 H34 Cl N O14 -","- C72 H136 Cl4 N4 O56 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.0884","0.0551","","","0.1306","0.1481","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018546","14.634","0.003","10.177","0.002","17.116","0.003","90","","90","","90","","2549.1","0.9","293","","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","","- C18 H34 B F4 N O10 -","- C18 H34 B F4 N O10 -","- C72 H136 B4 F16 N4 O40 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.1095","0.0642","","","0.1658","0.1951","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018547","23.0859","0.001","19.2656","0.0009","15.7659","0.0008","90","","92.873","0.004","90","","7003.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate","","- C5 H36 Mo5 N15 O25.5 P2 -","- C5 H36 Mo5 N15 O25.5 P2 -","- C40 H288 Mo40 N120 O204 P16 -","8","2","QS3013","Di Tondo, Pietro; Pritchard, Robin Gavin","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH~6~N~3~)~5~[HP~2~Mo~5~O~23~]·2.5H~2~O: hydrogen bonding and π-stacking in guanidinium cations","Acta Crystallographica Section C","2012","68","7","i50","i52","10.1107/S0108270112024419","","","0.71073","MoKα","","0.0834","0.0487","","","","0.1062","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018548","10.0259","0.0012","6.9271","0.0008","13.9278","0.0012","90","","127.63","0.005","90","","766.07","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua(μ~2~-1<i>H</i>-imidazole-4-carboxylato- κ^3^<i>N</i>^3^,<i>O</i>:<i>O'</i>)hemi(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)cadmium(II)]","","- C5 H5 Cd N2 O5 -","- C5 H5 Cd N2 O5 -","- C20 H20 Cd4 N8 O20 -","4","1","SF3171","Yin, Xia; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","A new two-dimensional cadmium coordination polymer with 1<i>H</i>-imidazole-4-carboxylate and oxalate","Acta Crystallographica Section C","2012","68","7","m177","m180","10.1107/S0108270112023153","","","0.71073","MoKα","","0.0349","0.0323","","","0.0869","0.089","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018549","14.2076","0.0002","15.9721","0.0003","11.392","0.0002","90","","90","","90","","2585.13","0.08","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>R</i>,8a<i>R</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.33-hydrate","","- C32 H30.65 N2 O3.33 -","- C32 H30.655 N2 O3.3275 -","- C128 H122.62 N8 O13.31 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0891","0.0531","","","0.1165","0.1468","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018550","14.2212","0.0002","15.9917","0.0002","11.392","0.0002","90","","90","","90","","2590.78","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>S</i>,8a<i>S</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.39-hydrate","","- C32 H30.8 N2 O3.4 -","- C32 H30.784 N2 O3.392 -","- C128 H123.136 N8 O13.568 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0609","0.0486","","","0.1336","0.1432","","","","","","1.14","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018551","10.119","0.002","12.37","0.003","12.962","0.003","103.19","0.03","111.06","0.03","109.3","0.03","1313.5","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] <i>p</i>-toluidine tetrasolvate]","","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","1","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0385","0.0304","","","0.0673","0.0693","","","","","","0.949","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018552","17.7","0.004","14.604","0.003","13.757","0.003","90","","109.53","0.03","90","","3351.5","1.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] 1,4-diiodobenzene monosolvate]","","- C32 H32 Cu2 I4 N4 -","- C32 H32 Cu2 I4 N4 -","- C128 H128 Cu8 I16 N16 -","4","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0341","0.0316","","","0.0782","0.0798","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018553","7.235","0.0014","10.705","0.002","11.624","0.002","75.25","0.03","82.58","0.03","84.91","0.03","861.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","poly[(dihydrogenphosphato-κ<i>O</i>)(μ~3~-hydrogenphosphato)di-μ-oxido- (1,10-phenanthroline)copper(II)vanadium(V)]","","- C12 H11 Cu N2 O10 P2 V -","- C12 H8 Cu N2 O10 P2 V -","- C24 H16 Cu2 N4 O20 P4 V2 -","2","1","YP3013","Venegas-Yazigi, Diego; Vega, Andres; Valdes de la Barra, Karen; Saldias, Marianela; Le Fur, Eric","A new hybrid organic‒inorganic chain: [(phen)Cu‒μ-(κ^2^<i>O</i>:<i>O</i>'-VP~2~O~10~H~3~)~2~‒Cu(phen)]~<i>n~</i>","Acta Crystallographica Section C","2012","68","7","m200","m202","10.1107/S0108270112026005","","","0.71073","MoKα","","0.0315","0.0264","","","0.0726","0.0757","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018554","9.8","0.002","19.039","0.004","6.8975","0.0015","90","","90","","90","","1287","0.5","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C10 H19 Cu N5 O5 -","- C10 H19 Cu N5 O5 -","- C40 H76 Cu4 N20 O20 -","4","1","BG3151","He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin","A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2012","68","8","m206","m208","10.1107/S0108270112028442","","","0.71075","MoKα","","0.0304","0.0264","","","0.0595","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018555","11.1247","0.0011","13.8704","0.0014","16.0515","0.0019","90","","98.621","0.002","90","","2448.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","","- C24 H22 Co N4 O8 -","- C24 H22 Co N4 O8 -","- C96 H88 Co4 N16 O32 -","4","1","BG3154","Deng, Yi-Fang; Xu, Jin-Sheng; Chen, Man-Sheng; Zhang, Chun-Hua","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","Acta Crystallographica Section C","2012","68","8","m219","m222","10.1107/S0108270112030582","","","0.71073","MoKα","","0.0629","0.0463","","","0.1042","0.1109","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018556","11.9376","0.0001","7.3761","0.0001","18.1618","0.0002","90","","102.979","0.001","90","","1558.34","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","BI3043","Huang, Yu; Zhong, Jia-Liang; Hanbin, Shan; Li, Min; Yuan, Zhe-Dong","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","Acta Crystallographica Section C","2012","68","8","o308","o310","10.1107/S0108270112029885","","","1.54178","CuKα","","0.0275","0.0263","","","0.0696","0.0706","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018557","18.2223","0.0012","18.2223","0.0012","11.2387","0.0006","90","","90","","120","","3231.9","0.3","210","2","210","2","","","","","","","","3","P 61","P 61","169","CinerinC","(7<i>S</i>,8<i>R</i>,3'<i>R</i>,4'<i>S</i>,5'<i>R</i>)-Δ^8'^-4'-hydroxy- 5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo- 7.3',8.5'-neolignan monohydrate","","- C22 H28 O8 -","- C22 H26 O7 -","- C132 H156 O42 -","6","1","BM3119","Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe","Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)","Acta Crystallographica Section C","2012","68","8","o320","o322","10.1107/S0108270112030946","","","0.71073","MoKα","","0.0403","0.0364","","","0.0905","0.0923","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018558","6.6313","0.0004","18.5174","0.0011","8.3354","0.0005","90","","91.352","0.001","90","","1023.26","0.11","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,8-dinitro-2,4-dihydro-1<i>H</i>- benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C9 H5 N5 O6 -","- C9 H5 N5 O6 -","- C36 H20 N20 O24 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.0501","0.0484","","","0.1286","0.1302","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018559","7.2636","0.0008","17.673","0.002","12.0447","0.0013","90","","90","","90","","1546.2","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(2-hydroxy-4-oxopent-2-en-3-yl)-6,8-dinitro-2,4-dihydro- 1<i>H</i>-benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C14 H11 N5 O8 -","- C14 H11 N5 O8 -","- C56 H44 N20 O32 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.038","0.0369","","","0.0966","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018560","13.316","0.003","14.195","0.003","9.02","0.002","90","","115.775","0.011","90","","1535.3","0.6","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0468","0.0357","","","0.0806","0.0836","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018561","9.0244","0.0002","9.7278","0.0002","9.7492","0.0002","92.9699","0.001","107.457","0.001","107.551","0.0009","768.85","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","NS9544.1320","(1<i>S</i>,5<i>R</i>)-3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","2","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0292","0.0281","","","0.0727","0.0737","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018562","7.5","0.0006","12.144","0.002","16.844","0.003","90","","100.625","0.008","90","","1507.8","0.4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","","- C15 H15 Br N2 O2 Pt -","- C15 H15 Br N2 O2 Pt -","- C60 H60 Br4 N8 O8 Pt4 -","4","1","EG3094","Tenne, Mario; Unger, Yvonne; Strassner, Thomas","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","Acta Crystallographica Section C","2012","68","8","m203","m205","10.1107/S0108270112027783","","","0.71073","MoKα","","0.0315","0.0186","","","0.0319","0.0351","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018563","10.6198","0.0007","10.244","0.0007","16.503","0.001","90","","92.167","0.001","90","","1794.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>- di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","","- C28 H36 Cl2 Co2 N8 O12 -","- C28 H36 Cl2 Co2 N8 O12 -","- C56 H72 Cl4 Co4 N16 O24 -","2","0.5","FG3263","Maass, John S.; Luck, Rudy L.; Zeller, Matthias","The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2012","68","8","m233","m234","10.1107/S0108270112031964","","","0.71073","MoKα","","0.0482","0.0367","","","","0.0853","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018564","4.1871","0.0001","21.1132","0.0006","4.3912","0.0001","90","","90","","90","","388.196","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","dilanthanum lithium hexagermanide","","- Ge11.58 La4 Li2 -","- Ge11.584 La4 Li2 -","- Ge11.584 La4 Li2 -","1","0.0625","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0244","0.0244","","","0.0586","0.0586","","","","","","1.195","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018565","4.1462","0.0001","21.0674","0.0006","4.3704","0.0001","90","","90","","90","","381.753","0.017","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","dilanthanum lithium tetragermanium disilicide","","- Ge4 La2 Li Si2 -","- Ge4 La2 Li Si2 -","- Ge8 La4 Li2 Si4 -","2","0.125","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0204","0.0204","","","0.0445","0.0445","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018566","12.8896","0.0004","8.0048","0.0002","24.53","0.0005","90","","121.19","0.001","90","","2165.13","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquabis(1-naphthoato-κ<i>O</i>)magnesium(II)]-μ-aqua] dihydrate]","","- C22 H24 Mg O9 -","- C22 H24 Mg O9 -","- C88 H96 Mg4 O36 -","4","1","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.1395","0.0587","","","0.1201","0.1497","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018567","21.079","0.001","11.441","0.0006","7.72","0.0003","90","","93.994","0.003","90","","1857.27","0.15","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquacalcium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ca O6 -","- C22 H18 Ca O6 -","- C88 H72 Ca4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0556","0.0358","","","0.0713","0.0773","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018568","21.274","0.0019","11.3397","0.001","7.9619","0.0005","90","","94.52","0.004","90","","1914.8","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquastrontium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 O6 Sr -","- C22 H18 O6 Sr -","- C88 H72 O24 Sr4 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0676","0.0453","","","0.0912","0.0996","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018569","20.464","0.003","11.9699","0.0015","8.2812","0.001","90","","90","","90","","2028.5","0.5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-poly[[diaquabarium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ba O6 -","- C22 H18 Ba O6 -","- C88 H72 Ba4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.8252","synchrotron","","0.0429","0.0414","","","0.1243","0.1259","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018570","13.0728","0.0002","15.9452","0.0003","19.4565","0.0004","75.217","0.001","75.262","0.001","74.2","0.001","3697.98","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato- κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","","- C91.5 H96 Al N3 O3 -","- C91.5 H96 Al N3 O3 -","- C183 H192 Al2 N6 O6 -","2","1","GZ3214","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","Acta Crystallographica Section C","2012","68","8","m226","m228","10.1107/S0108270112031952","","","0.71073","MoKα","","0.1268","0.0764","","","0.1376","0.1547","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018571","14.1516","0.0002","7.0064","0.0001","18.3134","0.0002","90","","90","","90","","1815.81","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(9-Fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C88 H64 F8 N8 O24 -","8","1","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0624","0.0437","","","0.1109","0.1226","","","","","","1.053","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018572","9.4306","0.0001","14.8892","0.0002","21.4949","0.0002","98.764","0.001","97.61","0.001","94.013","0.001","2944.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(9-Chloro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C132 H96 Cl12 N12 O36 -","12","6","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0547","0.0419","","","0.0981","0.1073","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018573","11.2228","0.0003","10.0097","0.0003","18.7285","0.0004","90","","90","","90","","2103.9","0.1","295","2","295","2","98","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>N</i>,<i>N</i>-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0445","0.041","","","0.1117","0.1148","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018574","20.0403","0.0008","10.7329","0.0004","11.112","0.0005","90","","103.78","0.004","90","","2321.29","0.17","295","2","295","2","98","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>N</i>,<i>N</i>-dimethylglycine hemihydrate","2-(Dimethylamino)acetic acid hemihydrate","","- C4 H10 N O2.5 -","- C4 H10 N O2.5 -","- C64 H160 N16 O40 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0548","0.0422","","","0.1095","0.119","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018575","31.688","0.002","6.7674","0.0005","13.146","0.001","90","","106.545","0.006","90","","2702.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.1718","0.0816","","","0.1394","0.1665","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018576","6.5848","0.0001","22.2544","0.0004","10.8735","0.0002","90","","106.811","0.001","90","","1525.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.0859","0.0556","","","0.111","0.1228","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018577","9.5231","0.0014","9.5231","0.0014","15.633","0.002","90","","90","","120","","1227.8","0.3","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium diaquacobalt(II) <i>catena</i>-borodiphosphate 0.48-hydrate","","- B Co H4.96 K O10.48 P2 -","- B Co K0.999 O10.48 P2 -","- B6 Co6 K5.994 O62.88 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.0377","0.0374","","","0.0947","0.095","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018578","9.472","0.0015","9.472","0.0015","15.872","0.006","90","","90","","120","","1233.2","0.5","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium calcium diaquacobalt(II) <i>catena</i>-borodiphosphate monohydrate","","- B Ca0.42 Co H6 K0.17 O11 P2 -","- B Ca0.418 Co H4 K0.172 O11 P2 -","- B6 Ca2.508 Co6 H24 K1.032 O66 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.029","0.0261","","","0.0684","0.0705","","","","","","0.984","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018579","7.156","0.0005","9.8692","0.0006","12.9585","0.0008","95.853","0.001","90.544","0.001","95.643","0.001","905.82","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~- 2-sulfonatobutanedioato)copper(II)sodium(I)]","","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","1","0.5","LG3089","Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li","A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)]","Acta Crystallographica Section C","2012","68","8","m209","m212","10.1107/S0108270112030909","","","0.71073","MoKα","","0.042","0.032","","","0.0805","0.086","","","","","","1.007","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2018580","6.1986","0.0003","24.547","0.0012","8.1004","0.0004","90","","95.37","0.004","90","","1227.12","0.1","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","physcion","7-methoxy-2-methyl-4,5-dihydroxyanthracene-9,10-dione","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","MX3079","Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna","A new polymorph of physcion","Acta Crystallographica Section C","2012","68","8","o317","o319","10.1107/S010827011203020X","","","1.54184","CuKα","","0.0468","0.0432","","","0.1219","0.1256","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018581","22.1562","0.0002","6.9556","0.0007","25.0366","0.0005","90","","90","","90","","3858.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ag4 N2 O4 S2 -","- C16 H16 Ag4 N2 O4 S2 -","- C128 H128 Ag32 N16 O32 S16 -","8","1","QS3015","Sun, Di; Yan, Zhi-Hao","A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands","Acta Crystallographica Section C","2012","68","8","m229","m232","10.1107/S0108270112031125","","","0.71073","MoKα","","0.0647","0.0439","","","0.0816","0.1128","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018582","5.709","0.002","10.284","0.003","32.795","0.009","90","","90","","90","","1925.4","1","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Histdinium inosine 3':5'-cyclic phosphate","5-(2-amino-2-carboxyethyl)-1<i>H</i>-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1<i>H</i>-purin-9-yl)-4a,6,7,7a-tetrahydro- 4<i>H</i>-1,3,5,2λ^5^-furo[3,2-<i>d</i>][1,3,2λ^5^]dioxaphosphinin-2-olate","","- C16 H20 N7 O9 P -","- C16 H20 N7 O9 P -","- C64 H80 N28 O36 P4 -","4","1","QS3016","Ślepokura, Katarzyna","The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP","Acta Crystallographica Section C","2012","68","8","o311","o316","10.1107/S0108270112030041","","","0.71073","MoKα","","0.0323","0.0296","","","0.0762","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018583","11.035","0.0003","10.1713","0.0003","11.8533","0.0003","90","","93.678","0.002","90","","1327.68","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","PH46 (S)-(-)-methylbenzylamine salt","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>- [2,2'-biinden]-2-yl]methyl}benzoate","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","SK3440","Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>-[2,2'-biinden]-2-yl]methyl}benzoate","Acta Crystallographica Section C","2012","68","8","o323","o326","10.1107/S0108270112031265","","","1.54178","CuKα","","0.0358","0.0354","","","0.0973","0.098","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018584","5.989","0.001","5.663","0.001","22.282","0.001","90","","97.07","0.01","90","","749.96","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","terebic acid","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","UK3046","Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C.","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure","Acta Crystallographica Section C","2012","68","8","o294","o297","10.1107/S0108270112029563","","","0.71073","MoKα","","0.0601","0.0423","","","","0.1148","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018585","11.9699","0.0018","12.3754","0.0019","12.4793","0.0019","104.369","0.003","95.465","0.003","95.802","0.003","1767.6","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","Pd1a-Qu","(<i>SP</i>-4‒4)-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]- chlorido(quinoline-κ<i>N</i>)palladium(II) acetone hemisolvate","","- C18.5 H20 Cl N2 O0.5 Pd -","- C18.5 H20 Cl N2 O0.5 Pd -","- C74 H80 Cl4 N8 O2 Pd4 -","4","4","YF3015","Raven, William; Kalf, Irmgard; Englert, Ulli","Pseudosymmetry in a cyclopalladated compound","Acta Crystallographica Section C","2012","68","8","m223","m225","10.1107/S0108270112030776","","","0.71073","MoKα","","0.0706","0.0535","","","0.1062","0.1157","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018586","6.1869","0.0012","7.2241","0.0014","31.941","0.006","90","","90.42","0.03","90","","1427.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4- bromophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 Br K2 N O4 S3 -","- C7 H8 Br K2 N O4 S3 -","- C28 H32 Br4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.1472","0.0628","","","0.0941","0.1096","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018587","16.155","0.003","6.3794","0.0013","14.549","0.003","90","","91.86","0.03","90","","1498.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~4~-<i>N</i>-(4- iodophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 I K2 N O4 S3 -","- C7 H8 I K2 N O4 S3 -","- C28 H32 I4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.0645","0.032","","","0.0535","0.0592","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018588","5.6353","0.0014","30.987","0.008","10.817","0.003","90","","95.232","0.004","90","","1881","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]- β-D-mannopyranose 0.11-hydrate","","- C16 H24.22 O10.11 -","- C16 H24.222 O10.111 -","- C64 H96.888 O40.444 -","4","2","BI3042","Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]-β-<small>D</small>-mannopyranose 0.11-hydrate","Acta Crystallographica Section C","2012","68","9","o338","o340","10.1107/S0108270112032076","","","0.71073","MoKα","","0.0724","0.0483","","","0.0828","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018589","10.5118","0.0009","11.0929","0.001","11.2047","0.001","72.749","0.002","75.862","0.002","81.398","0.002","1205.77","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Benzenesulfonate boron subphthalocyanine","(benzenesulfonato)(subphthalocyaninato)boron","","- C30 H17 B N6 O3 S -","- C30 H17 B N6 O3 S -","- C60 H34 B2 N12 O6 S2 -","2","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","0.71073","MoKα","","0.0604","0.0381","","","0.0852","0.0937","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018590","13.8349","0.0007","13.8988","0.0008","14.3887","0.0008","90","","112.466","0.004","90","","2556.8","0.3","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-nitrobenzenesulfonate boron subphthalocyanine","(3-nitrobenzenesulfonato)(subphthalocyaninato)boron","","- C30 H16 B N7 O5 S -","- C30 H16 B N7 O5 S -","- C120 H64 B4 N28 O20 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0887","0.0738","","","0.2022","0.2162","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018591","11.3713","0.0007","11.6114","0.0007","16.276","0.0011","90","","94.774","0.004","90","","2141.6","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","methanesulfonate boron subphthalocyanine","(methanesulfonato)(subphthalocyaninato)boron","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C100 H60 B4 N24 O12 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0443","0.0402","","","0.0992","0.1008","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018592","10.542","0.002","17.931","0.004","17.136","0.003","90","","107.51","0.03","90","","3089.1","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<i>D</i>- threopentofuranosyl]thymine ethyl acetate 0.25-solvate","","- C32 H34 N2 O7.5 -","- C32 H34 N2 O7.5 -","- C128 H136 N8 O30 -","4","2","BI3048","Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong","{5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<small>D</small>-threopentofuranosyl}thymine ethyl acetate 0.25-solvate","Acta Crystallographica Section C","2012","68","11","o472","o474","10.1107/S010827011204351X","","","0.71073","MoKα","","0.0621","0.0557","","","0.1457","0.151","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018593","7.3557","0.0004","8.363","0.0004","11.7128","0.0006","100.453","0.004","97.232","0.004","104.042","0.004","676.4","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0466","0.0347","","","0.0844","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018594","11.7119","0.0005","6.6705","0.0003","17.2898","0.0008","90","","109.482","0.005","90","","1273.42","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-methoxyphenyl)-cyclohexane-1,2-diimide","2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0491","0.0347","","","0.0851","0.0882","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018595","6.4958","0.0002","12.5236","0.0004","16.1281","0.0006","90","","90","","90","","1312.03","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(3-carboxyphenyl)cyclohexane-1,2-diimide","<i>cis</i>-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0497","0.0375","","","0.0835","0.0858","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018596","13.077","0.002","6.6713","0.0007","16.432","0.002","90","","97.982","0.013","90","","1419.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-<i>cis</i>-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol- 2-yl)benzoic acid monohydrate","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.1064","0.0518","","","0.1217","0.1322","","","","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018597","4.812","0.0003","14.3729","0.0007","9.9178","0.0005","90","","94.037","0.002","90","","684.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid","","- C6 H7 N O2 S -","- C6 H7 N O2 S -","- C24 H28 N4 O8 S4 -","4","1","CU3014","Hazra, Dipak K.; Mukherjee, Monika; Helliwell, Madeleine; Mukherjee, Alok K.","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100K and Hirshfeld surface analysis","Acta Crystallographica Section C","2012","68","11","o452","o455","10.1107/S010827011204142X","","","0.71073","MoKα","","0.0325","0.0318","","","0.0906","0.0912","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018598","10.6137","0.0014","8.3339","0.001","34.35","0.004","90","","90","","90","","3038.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cycyclen","2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol","","- C14 H30 N4 O -","- C14 H30 N4 O -","- C112 H240 N32 O8 -","8","1","DT3014","de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.","Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)","Acta Crystallographica Section C","2012","68","10","o383","o386","10.1107/S0108270112037195","","","0.71073","MoKα","","0.0723","0.0449","","","0.1026","0.106","","","","","","0.866","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018599","14.6523","0.0006","9.9342","0.0005","16.0953","0.0006","90","","99.355","0.004","90","","2311.65","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate","","- C21 H21 N O7 S3 -","- C21 H21 N O7 S3 -","- C84 H84 N4 O28 S12 -","4","1","DT3015","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (<i>R</i>SO~2~)ON(SO~2~<i>R</i>)~2~ family","Acta Crystallographica Section C","2012","68","10","o417","o420","10.1107/S0108270112039182","","","0.71073","MoKα","","0.1308","0.0524","","","0.0837","0.1021","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018600","5.8256","0.0005","12.5648","0.0012","12.7464","0.0011","90","","100.303","0.007","90","","917.96","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chelidamic acid methanol monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid methanol monosolvate","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C32 H36 N4 O24 -","4","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0424","0.0361","","","0.0921","0.0958","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018601","7.3688","0.0008","11.1416","0.0012","14.3584","0.0015","69.025","0.008","79.438","0.009","72.455","0.009","1045.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium chelidamate","dimethylammonium 6-carboxy-4-hydroxypyridine-2-carboxylate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0553","0.0426","","","0.1083","0.1143","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018602","4.746","0.0004","10.4917","0.0009","11.9787","0.0011","103.592","0.007","97.606","0.007","101.651","0.007","557.59","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","chelidamic acid dimethyl sulfoxide monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C9 H11 N O6 S -","- C9 H11 N O6 S -","- C18 H22 N2 O12 S2 -","2","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0288","0.0279","","","0.0774","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018603","17.241","0.003","6.1519","0.0012","20.71","0.004","90","","107.96","0.03","90","","2089.6","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","chelidamic acid dimethyl ester monohydrate","dimethyl 4-hydroxypyridine-2,6-dicarboxylate monohydrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0582","0.0393","","","0.093","0.1002","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018604","11.7374","0.001","11.6511","0.001","7.5484","0.0008","90","","90","","90","","1032.27","0.17","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-chlorido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Cd Cl2 N4 -","- C8 H6 Cd Cl2 N4 -","- C32 H24 Cd4 Cl8 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0328","0.0285","","","0.0717","0.0734","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018605","11.7549","0.0008","11.9619","0.0008","7.869","0.0006","90","","90","","90","","1106.47","0.14","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-bromido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Br2 Cd N4 -","- C8 H6 Br2 Cd N4 -","- C32 H24 Br8 Cd4 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.025","0.0238","","","0.0611","0.0615","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018606","8.0106","0.0006","14.3621","0.0013","7.685","0.0006","90","","115.855","0.008","90","","795.65","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ-iodido-μ~4~-(4,4'-bipyridazine)- κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^-dicadmium(II)]","","- C8 H6 Cd2 I4 N4 -","- C8 H6 Cd2 I4 N4 -","- C16 H12 Cd4 I8 N8 -","2","0.5","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0199","0.0173","","","0.0393","0.04","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018607","10.7361","0.0002","17.1215","0.0002","15.6226","0.0002","90","","108.009","0.0008","90","","2731.03","0.07","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[PtCl{E-HN=C(Me)OMe}~2~(PPh~3~)]Cl","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane- κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","","- C24 H31 Cl2 N2 O3 P Pt -","- C24 H31 Cl2 N2 O3 P Pt -","- C96 H124 Cl8 N8 O12 P4 Pt4 -","4","1","EG3099","Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","Acta Crystallographica Section C","2012","68","11","m300","m302","10.1107/S0108270112040826","","","0.71073","MoKα","","0.0695","0.0358","","","0.0569","0.0648","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018608","16.203","0.002","5.9721","0.0009","22.156","0.003","90","","99.223","0.002","90","","2116.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]\ zinc(II)]","","- C20 H24 N6 O4 Zn -","- C20 H24 N6 O4 Zn -","- C80 H96 N24 O16 Zn4 -","4","0.5","EG3100","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun","A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]","Acta Crystallographica Section C","2012","68","11","m309","m311","10.1107/S0108270112042941","","","0.71073","MoKα","","0.0496","0.0379","","","0.0897","0.0943","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018609","14.306","0.003","26.675","0.005","14.436","0.003","90","","99.26","0.03","90","","5437","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","","- C98 H98 N18 O40 P8 -","- C98 H98 N18 O40 P8 -","- C196 H196 N36 O80 P16 -","2","0.5","EM3051","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","Acta Crystallographica Section C","2012","68","9","o351","o354","10.1107/S0108270112033781","","","0.71073","MoKα","","0.1511","0.0548","","","0.072","0.0851","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018610","11.5954","0.0002","31.7767","0.0006","23.7179","0.0005","90","","99.58","0.001","90","","8617.3","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine- 1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl- 1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido- triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C43 H40 Fe3 N2 O7 Te2 -","- C43 H40 Fe3 N2 O7 Te2 -","- C344 H320 Fe24 N16 O56 Te16 -","8","2","EM3053","Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section C","2012","68","11","m320","m322","10.1107/S0108270112040012","","","0.71073","MoKα","","0.0697","0.0372","","","0.0828","0.0966","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018611","4.6539","0.0006","10.18","0.0012","14.3718","0.0017","82.481","0.005","88.127","0.007","78.604","0.006","661.71","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.1056","0.041","","","0.091","0.1099","","","","","","0.84","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018612","5.3708","0.0002","7.2029","0.0003","16.9507","0.0008","96.461","0.002","93.246","0.002","110.029","0.002","608.98","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0627","0.037","","","0.0827","0.0911","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018613","5.433","0.0003","7.2863","0.0004","17.0874","0.0009","97.426","0.002","92.884","0.002","108.874","0.002","631.62","0.06","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0927","0.0393","","","0.0825","0.0964","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018614","8.5813","0.0003","22.7241","0.0007","8.8506","0.0003","90","","95.76","0.003","90","","1717.17","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","1","FA3277","Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W.","Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","Acta Crystallographica Section C","2012","68","9","o335","o337","10.1107/S0108270112029022","powder diffraction","","0.6999","synchrotron","","","","","","","","","","1.475","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018615","26.6479","0.0007","10.7706","0.0003","16.4983","0.0005","90","","99.187","0.003","90","","4674.5","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis{4'-[4-(methylsulfanyl)phenyl]- 4,2':6',4''-terpyridine-κ<i>N</i>^1^}zinc(II)","","- C54 H48 N6 O4 S2 Zn -","- C54 H48 N6 O4 S2 Zn -","- C216 H192 N24 O16 S8 Zn4 -","4","0.5","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.0577","0.0366","","","0.0945","0.0993","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018616","14.1522","0.0003","13.4408","0.0003","23.3887","0.0005","90","","101.342","0.002","90","","4362.04","0.17","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine- κ^2^<i>N</i>^1^:<i>N</i>^1''^}bis[bis(acetylacetonato- κ^2^<i>O</i>,<i>O</i>')zinc(II)]","","- C42 H45 N3 O8 S Zn2 -","- C42 H45 N3 O8 S Zn2 -","- C168 H180 N12 O32 S4 Zn8 -","4","1","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.064","0.0339","","","0.0828","0.0874","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018617","10.8298","0.0003","9.9164","0.0003","26.674","0.0008","90","","91.539","0.001","90","","2863.56","0.15","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(2-chloro- 2,2-difluoroacetyl)phosphoric triamide","","- C30 H29 Cl F2 N3 O2 P -","- C30 H29 Cl F2 N3 O2 P -","- C120 H116 Cl4 F8 N12 O8 P4 -","4","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0533","0.0455","","","0.1246","0.1339","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018618","10.0173","0.001","11.2362","0.0008","14.5992","0.0012","99.351","0.006","109.96","0.008","91.135","0.007","1519","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3- fluorobenzoyl)phosphoric triamide","","- C35 H33 F N3 O2 P -","- C35 H33 F N3 O2 P -","- C70 H66 F2 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0605","0.0481","","","0.1321","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018619","11.9526","0.0011","12.2897","0.001","12.7463","0.0012","102.074","0.007","104.462","0.008","118.262","0.009","1474.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3,5- difluorobenzoyl)phosphoric triamide","","- C35 H32 F2 N3 O2 P -","- C35 H32 F2 N3 O2 P -","- C70 H64 F4 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0543","0.0422","","","0.1082","0.1162","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018620","15.6089","0.0009","6.7055","0.0002","14.2492","0.0008","90","","111.044","0.004","90","","1391.93","0.13","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene","","- C12 H18 O3 S2 -","- C12 H18 O3 S2 -","- C48 H72 O12 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0297","0.0253","","","0.0662","0.0681","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018621","10.6595","0.0005","12.9818","0.0007","12.2828","0.0008","90","","96.416","0.004","90","","1689.04","0.16","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2- methoxyethyl)sulfinyl]benzene-κ^2^<i>S</i>,<i>S</i>'}palladium(II)","","- C12 H18 Cl2 O3 Pd S2 -","- C12 H18 Cl2 O3 Pd S2 -","- C48 H72 Cl8 O12 Pd4 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0271","0.0212","","","0.0523","0.054","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018622","15.7098","0.00017","18.8926","0.0002","15.03575","0.00016","90","","90","","90","","4462.6","0.08","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin trihydrate","clarithromycin trihydrate","","- C38 H75 N O16 -","- C38 H75 N O16 -","- C152 H300 N4 O64 -","4","1","FA3285","van de Streek, Jacco","Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate","Acta Crystallographica Section C","2012","68","9","o369","o372","10.1107/S0108270112035536","powder diffraction","","1.3","synchrotron","","","","","","","","","","1.193","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018623","10.3504","0.0007","16.0908","0.0011","24.4828","0.0016","90","","90","","90","","4077.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[(2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate","","- C18 H31 N2 O5.5 S0.5 -","- C18 H31 N2 O5.5 S0.5 -","- C144 H248 N16 O44 S4 -","8","2","FG3257","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Novel pseudopolymorph of the active metabolite of perindopril","Acta Crystallographica Section C","2012","68","9","o341","o343","10.1107/S0108270112032349","","","1.54178","CuKα","","0.0269","0.0268","","","0.0701","0.0702","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018624","14.9815","0.0001","10.9355","0.0001","15.549","0.0002","90","","113.107","0.001","90","","2343.03","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-methylphenyl)-2,2'-thiodibenzamide","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C112 H96 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0406","0.0346","","","0.0902","0.0951","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018625","20.6504","0.0003","15.3378","0.0002","7.5101","0.0001","90","","95.52","0.001","90","","2367.66","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-bromophenyl)-2,2'-thiodibenzamide","","- C26 H18 Br2 N2 O2 S -","- C26 H18 Br2 N2 O2 S -","- C104 H72 Br8 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0599","0.048","","","0.1297","0.1397","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018626","7.8786","0.0001","17.3269","0.0002","18.396","0.0002","90","","95.787","0.001","90","","2498.47","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-bis(2-ethylphenyl)-2,2'-thiodibenzamide","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0364","0.0345","","","0.0898","0.0917","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018627","3.7413","0.0007","7.8684","0.0009","15.4092","0.0013","90","","91.54","0.03","90","","453.45","0.11","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","5-[4-(1,2,4-Triazol-4-yl)phenyl]-1<i>H</i>-tetrazole","","- C9 H7 N7 -","- C9 H7 N7 -","- C18 H14 N14 -","2","1","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0795","0.0487","","","0.0931","0.1042","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018628","7.6554","0.0005","7.8589","0.0007","9.0762","0.0008","98.926","0.002","98.066","0.003","108.354","0.002","501.47","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[diaquacadmium(II)]bis{μ~2~-5-[4-(1,2,4-triazol-4- yl)phenyl]tetrazol-1-ato-κ^2^<i>N</i>^1^:<i>N</i>^1'^}]","","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","1","0.5","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0252","0.0238","","","0.0499","0.0504","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018629","11.649","0.002","12.702","0.003","17.72","0.003","90","","95.41","0.03","90","","2610.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5- nitroisophthalato)cadmium(II)]","","- C32 H19 Cd N3 O6 -","- C32 H19 Cd N3 O6 -","- C128 H76 Cd4 N12 O24 -","4","1","FG3267","Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling","A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2012","68","11","m306","m308","10.1107/S0108270112040966","","","0.71073","MoKα","","0.0441","0.0324","","","0.0748","0.0795","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018630","7.8754","0.0006","8.1504","0.0006","10.0893","0.0007","108.637","0.003","96.327","0.003","104.562","0.003","580.98","0.08","130","2","130","2","","","","","","","","4","P 1","P 1","1","5-Ethynyl-2'-deoxycytidine","4-Amino-1-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-5- ethynylpyrimidin-2(1<i>H</i>)-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","2","FG3269","Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain","Acta Crystallographica Section C","2012","68","10","o395","o398","10.1107/S0108270112038267","","","0.71073","MoKα","","0.029","0.0287","","","0.0793","0.0799","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018631","8.304","0.003","9.684","0.001","17.802","0.002","90","","93.89","0.01","90","","1428.3","0.6","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxy-3-(pyridin-1-ium-2-yl)-6-(pyridin-2-yl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0867","0.0613","","","0.1441","0.165","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018632","6.857","0.001","8.576","0.001","9.187","0.002","63.4","0.01","81.94","0.01","87.47","0.01","478.19","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(3,6-Dicarboxypyrazine-2,5-diyl)bis(pyridin-1-ium) dichloride dihydrate","","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","1","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0399","0.0338","","","0.0887","0.0927","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018633","13.067","0.001","6.138","0.001","14.453","0.001","90","","103.59","0.01","90","","1126.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,6-Bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid dimethyl sulfoxide disolvate","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C40 H44 N8 O12 S4 -","2","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0797","0.041","","","0.0818","0.0925","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018634","8.1645","0.0002","10.0136","0.0002","23.2429","0.0005","90","","90","","90","","1900.25","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2yl}azaniumyl)pentanoate monohydrate","","- C17 H30 N2 O6 -","- C17 H30 N2 O6 -","- C68 H120 N8 O24 -","4","1","FG3275","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Perindoprilat monohydrate","Acta Crystallographica Section C","2012","68","11","o443","o446","10.1107/S0108270112041583","","","1.54178","CuKα","","0.027","0.0269","","","0.0688","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018635","7.6822","0.0008","19.039","0.002","19.1684","0.0018","90","","107.432","0.004","90","","2674.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine- 2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","","- C50 H62 Cl2 N14 Ni O8 -","- C50 H62 Cl2 N14 Ni O8 -","- C100 H124 Cl4 N28 Ni2 O16 -","2","0.5","FN3111","Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2012","68","10","m284","m286","10.1107/S010827011203750X","","","0.71073","MoKα","","0.069","0.0433","","","0.0984","0.1111","","","","","","1.081","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018636","15.592","0.003","4.3936","0.0008","17.713","0.003","90","","100.746","0.003","90","","1192.1","0.4","187","2","187","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18- <i>b</i>''<i>c</i>''<i>d</i>'':23,24- <i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","","- C40 H16 O4 -","- C40 H16 O4 -","- C80 H32 O8 -","2","0.5","FN3112","Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","Acta Crystallographica Section C","2012","68","11","o465","o467","10.1107/S0108270112040681","","","0.71073","MoKα","","0.0738","0.0415","","","0.0883","0.1055","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018637","23.6234","0.0011","12.5467","0.0006","16.0458","0.0007","90","","128.934","0.002","90","","3699.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dipotassium bis[hexaaquanickel(II)] tris(μ~2~-methylenediphosphonato)tripalladium(II) hexahydrate","","- C3 H42 K2 Ni2 O36 P6 Pd3 -","- C3 H35.386 K2 Ni2 O36 P6 Pd3 -","- C12 H141.544 K8 Ni8 O144 P24 Pd12 -","4","0.5","KU3068","Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I.","Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units","Acta Crystallographica Section C","2012","68","9","m242","m245","10.1107/S0108270112031368","","","0.71073","MoKα","","0.0243","0.0218","","","0.051","0.0521","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018638","8.845","0.001","8.845","0.001","8.845","0.001","90","","90","","90","","691.98","0.14","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Dinickel ditin zinc","","- Ni1.88 Sn2.15 Zn1.1 -","- Ni1.88425 Sn2.148 Zn1.102 -","- Ni15.074 Sn17.184 Zn8.816 -","8","0.166667","KU3074","Schmetterer, Clemens; Rajamohan, Divakar; Effenberger, Herta Silvia; Flandorfer, Hans","Ni~2~Sn~2~Zn from single-crystal X-ray diffraction","Acta Crystallographica Section C","2012","68","10","i65","i67","10.1107/S0108270112035627","","","0.71073","MoKα","","0.0175","0.0166","","","0.0407","0.041","","","","","","1.403","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018639","12.1226","0.001","14.6299","0.0012","12.258","0.001","90","","116.862","0.001","90","","1939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","","- C21 H17 Cl2 N3 Pd -","- C21 H17 Cl2 N3 Pd -","- C84 H68 Cl8 N12 Pd4 -","4","1","KU3079","Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","Acta Crystallographica Section C","2012","68","11","m317","m319","10.1107/S0108270112043119","","","0.71073","Mo-Kα","","0.0188","0.018","","","0.0494","0.0501","","","","","","1.046","","","","has coordinates,has Fobs","211395","2020-10-21","18:00:00",""
"2018640","8.07","0.003","15.353","0.003","7.789","0.002","90","","96.08","0.03","90","","959.6","0.5","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-Fluoroisoquinoline-5-sulfonyl chloride","","- C9 H5 Cl F N O2 S -","- C9 H5 Cl F N O2 S -","- C36 H20 Cl4 F4 N4 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1641","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018641","18.907","0.008","7.543","0.003","9.173","0.004","90","","101.88","0.03","90","","1280.2","0.9","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-(-)-4-Fluoro-<i>N</i>-(1-hydroxypropan-2-yl)isoquinoline-5- sulfonamide","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","2","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.054","","","","0.1587","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018642","12.379","0.008","19.294","0.014","6.835","0.004","90","","90","","90","","1632.5","1.9","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-4-[(4-Fluoroisoquinolin-5-yl)sulfonyl]-3-methyl-1,4- diazepan-1-ium chloride","","- C15 H19 Cl F N3 O2 S -","- C15 H19 Cl F N3 O2 S -","- C60 H76 Cl4 F4 N12 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1659","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018643","9.851","0.002","18.828","0.002","10.721","0.003","90","","115.26","0.02","90","","1798.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-μ~3~-ethanolato-diethyltetrakis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3- olato-κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)tetrazinc(II)","","- C32 H40 O14 Zn4 -","- C32 H40 O14 Zn4 -","- C64 H80 O28 Zn8 -","2","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0479","0.0358","","","0.0937","0.0975","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018644","10.715","0.003","12.578","0.003","12.794","0.004","92.97","0.03","110.48","0.03","97.61","0.03","1592.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(μ~3~-2-ethoxyphenolato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^: <i>O</i>^1^)bis(μ~2~-2-ethoxyphenolato-κ^3^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^1^)bis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato- κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)bis(2-methyl-4-oxo-4<i>H</i>- pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)tetrazinc(II) toluene disolvate","","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","1","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0728","0.0491","","","0.1356","0.144","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018645","10.5752","0.0002","5.2925","0.0001","13.9229","0.0002","90","","109.078","0.001","90","","736.45","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","","- C8 H4 O4 Zn -","- C8 H4 O4 Zn -","- C32 H16 O16 Zn4 -","4","1","LG3090","Xiong, Wei-Lu; Liu, Qing-Yan; Zhang, Na; Wang, Leng","A two-dimensional coordination polymer containing a two-dimensional zinc‒carboxylate layer constructed from helical chains: poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","Acta Crystallographica Section C","2012","68","9","m235","m237","10.1107/S0108270112033045","","","0.71073","MoKα","","0.0268","0.0239","","","0.0621","0.0648","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018646","4.5696","0.0003","24.7384","0.0017","11.7638","0.0008","90","","96.94","0.001","90","","1320.09","0.15","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.043","0.0337","","","0.0834","0.089","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018647","4.5467","0.0001","13.7623","0.0004","25.7328","0.0007","90","","93.117","0.001","90","","1607.8","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Butyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C13 H16 Cl2 N2 O S2 -","- C13 H16 Cl2 N2 O S2 -","- C52 H64 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.0496","0.034","","","0.0764","0.0827","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018648","13.3534","0.001","11.6813","0.0008","8.9908","0.0007","90","","99.995","0.003","90","","1381.15","0.18","290","","290","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>-(2-sulfanylidene-1,3-thiazinan-3-yl)benzamide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","1.54178","CuKα","","0.0348","0.0339","","","0.0937","0.0948","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018649","9.7093","0.001","13.9463","0.0014","14.0767","0.0014","118.086","0.002","104.17","0.002","90.036","0.002","1615.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']] monohydrate]","","- C36 H30 N3 O9 Tb -","- C36 H28 N3 O9 Tb -","- C72 H56 N6 O18 Tb2 -","2","1","QS3018","Wang, Hai-Rong; Xia, Chao-Hui; Li, Guo-Ting","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']] monohydrate]","Acta Crystallographica Section C","2012","68","11","m303","m305","10.1107/S0108270112040310","","","0.71073","MoKα","","0.0387","0.0274","","","0.0637","0.0691","","","","","","1.016","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018650","24.151","0.005","14.088","0.003","15.651","0.003","90","","116.54","0.03","90","","4764","2","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate","","- C56 H36 Fe N6 O17 -","- C56 H36 Fe N6 O17 -","- C224 H144 Fe4 N24 O68 -","4","0.5","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.0644","0.0517","","","0.1042","0.1106","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018651","13.767","0.003","13.911","0.003","24.202","0.005","90","","102.68","0.03","90","","4521.9","1.8","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","","- C50 H38 Fe N6 O18 -","- C50 H38 Fe N6 O18 -","- C200 H152 Fe4 N24 O72 -","4","1","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.1213","0.0932","","","0.1478","0.1598","","","","","","1.226","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018652","7.228","0.0001","12.4251","0.0002","18.9837","0.0003","105.388","0.001","91.348","0.001","92.604","0.001","1640.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium (2-carboxyethyl)(phenyl)phosphinate monohydrate","","- C12 H19 N6 O5 P -","- C12 H19 N6 O5 P -","- C48 H76 N24 O20 P4 -","4","2","SF3176","Xue, Jun; Zhao, Cui-Cui; Du, Zi-Yi","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","Acta Crystallographica Section C","2012","68","9","o355","o358","10.1107/S0108270112033392","","","0.71073","MoKα","","0.0652","0.0453","","","0.1074","0.1148","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018653","24.98","0.005","6.5472","0.0013","17.278","0.004","90","","103.96","0.03","90","","2742.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1- ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","","- C30 H22 Ag2 N6 O6 -","- C30 H22 Ag2 N6 O6 -","- C120 H88 Ag8 N24 O24 -","4","0.5","SF3177","Du, Jian-Long; Zhu, Xiao-Long; Li, Pei","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1-ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","Acta Crystallographica Section C","2012","68","10","m281","m283","10.1107/S0108270112035846","","","0.71073","MoKα","","0.1018","0.0605","","","0.0927","0.103","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018654","10.6645","0.0007","10.3818","0.0007","32.164","0.002","90","","90","","90","","3561.1","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","benzoyl(hydroxyimino)acetonitrile‒18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane)‒water (2/1/4)","","- C30 H44 N4 O14 -","- C30 H44 N4 O14 -","- C120 H176 N16 O56 -","4","0.5","SF3178","Ponomarova, Vira V.; Domasevitch, Konstantin V.","A three-component cocrystal: benzoyl(hydroxyimino)acetonitrile‒18-crown-6‒water (2/1/4)","Acta Crystallographica Section C","2012","68","9","o359","o361","10.1107/S0108270112034208","","","0.71073","MoKα","","0.0691","0.0451","","","0.0773","0.0842","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018655","14.6307","0.0011","8.5718","0.0007","28.083","0.002","90","","90","","90","","3521.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C144 H112 N48 O16 S16 -","16","2","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0312","0.0295","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018656","11.6248","0.0018","14.92","0.002","8.5909","0.0013","90","","102.564","0.003","90","","1454.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-2-phenylethyl)-4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C17 H13 N3 O2 S -","- C17 H13 N3 O2 S -","- C68 H52 N12 O8 S4 -","4","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0549","0.0455","","","0.1048","0.1104","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018657","13.6533","0.0014","12.7279","0.0013","22.2927","0.0019","90","","100.601","0.003","90","","3807.9","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 3-oxo-2-(1-oxo-1<i>H</i>,4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-2-yl)-3-phenylpropanoate","","- C20 H17 N3 O4 S -","- C20 H17 N3 O4 S -","- C160 H136 N24 O32 S8 -","8","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0722","0.0636","","","0.1593","0.1656","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018658","7.411","0.0006","16.2739","0.0018","17.201","0.002","90","","90","","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene- 1,3-thiazolidin-4-one monohydrate","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C64 H72 N24 O16 S16 -","8","1","SF3183","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2012","68","11","o468","o471","10.1107/S0108270112043260","","","0.71073","MoKα","","0.1104","0.0555","","","0.1342","0.1636","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018659","9.90009","0.00011","9.94558","0.00011","15.0359","0.0002","90","","102.49","0.0008","90","","1445.43","0.03","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenedipyridinium tetrachloridocuprate(II)","","- C11 H12 Cl4 Cu N2 -","- C11 H12 Cl4 Cu N2 -","- C44 H48 Cl16 Cu4 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.87","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018660","15.61545","0.00011","17.6525","0.0003","7.563","0.00006","90","","90","","90","","2084.75","0.04","298","","298","","","","","","","","","5","I m a 2","I 2 -2a","46","","1,1'-methylenedipyridinium bis[tetrachloridoaurate(III)]","","- C11 H12 Au2 Cl8 N2 -","- C11 H12 Au2 Cl8 N2 -","- C44 H48 Au8 Cl32 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.6","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018661","8.5395","0.0017","13.543","0.003","14.743","0.004","90","","95.358","0.003","90","","1697.6","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0443","0.0373","","","0.0717","0.0753","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018662","8.5966","0.0014","13.655","0.002","14.966","0.003","90","","95.533","0.004","90","","1748.6","0.5","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0662","0.0469","","","0.0929","0.1025","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018663","8.731","0.003","13.824","0.005","15.314","0.006","90","","94.866","0.009","90","","1841.7","1.2","400","2","400","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.125","0.0753","","","0.1765","0.2065","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018664","19.4565","0.0006","7.001","0.0002","31.1252","0.0009","90","","120.322","0.002","90","","3659.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine- κ<i>N</i>)dimanaganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4)","","- C64 H76 Cl2 Mn2 N12 O24 -","- C64 H76 Cl2 Mn2 N12 O24 -","- C128 H152 Cl4 Mn4 N24 O48 -","2","0.5","SK3444","Wang, Jun; Gao, Junlin; Zhao, Wenhua","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine-κ<i>N</i>)dimanganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4): a supramolecular system constructed by π‒π and hydrogen-bond interactions","Acta Crystallographica Section C","2012","68","9","m255","m258","10.1107/S0108270112033616","","","0.71073","MoKα","","0.1197","0.053","","","0.1058","0.1371","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018665","10.432","0.003","11.237","0.003","11.885","0.003","80.084","0.002","88.989","0.002","88.943","0.002","1372","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane","","- C24 H47 P Si2 -","- C24 H47 P Si2 -","- C48 H94 P2 Si4 -","2","1","SK3445","Boeré, René T.; Taghavikish, Mona","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane: the first structure of an organophosphane with two <i>tert</i>-butyldimethylsilyl (TBDMS) substituents","Acta Crystallographica Section C","2012","68","10","o381","o382","10.1107/S0108270112035949","","","0.71073","MoKα","","0.0352","0.0307","","","0.0852","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018666","9.7274","0.0019","13.259","0.003","19.982","0.004","90","","90","","90","","2577.2","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate","","- C4 H7 N4 O0.5 S -","- C4 H7 N4 O0.5 S -","- C64 H112 N64 O8 S16 -","16","","SK3446","Zhang, Zhenfeng; Xian, Dong; Glidewell, Christopher","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","10","o377","o380","10.1107/S0108270112036359","","","0.71073","MoKα","","0.088","0.0458","","","0.0915","0.105","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018667","6.0731","0.0015","14.921","0.004","16.285","0.004","90","","95.686","0.004","90","","1468.4","0.6","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Isoquinolin-5-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","SK3448","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Isoquinolin-5-amine","Acta Crystallographica Section C","2012","68","10","o392","o394","10.1107/S0108270112037602","","","0.71073","MoKα","","0.0453","0.0379","","","0.0852","0.0895","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018668","4.8992","0.0002","8.4434","0.0005","13.6616","0.0009","107.148","0.002","91.569","0.002","96.376","0.002","535.59","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C14 H10 As2 I4 O4 -","2","1","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0439","0.0377","","","0.1046","0.1091","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018669","7.6751","0.0005","18.6142","0.0012","22.0692","0.0012","90","","90.206","0.002","90","","3152.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C84 H60 As12 I24 O24 -","12","3","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0264","0.021","","","0.045","0.0463","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018670","13.948","0.003","14.279","0.003","16.3474","0.0016","70.147","0.012","86.297","0.013","62.265","0.016","2693.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)- 2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6- tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'- <i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate","","- C61 H53 Cl2 N9 O8 -","- C61 H53 Cl2 N9 O8 -","- C122 H106 Cl4 N18 O16 -","2","1","SK3451","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)-2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6-tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'-<i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","11","o439","o442","10.1107/S0108270112039856","","","0.71073","MoKα","","0.0808","0.0446","","","0.1044","0.1247","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018671","8.0275","0.0001","9.9401","0.0001","16.8444","0.0001","96.607","0.001","95.134","0.001","96.394","0.001","1319.71","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-bis(ethanol-κ<i>O</i>)tetrakis(1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) bis[μ-<i>N</i>-(2-oxidobenzylidene)-D,L-glutamato]- κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^:<i>O</i>^2'^;\ κ^4^<i>O</i>^2'^:<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^-bis[(1<i>H</i>-imidazole- κ<i>N</i>^3^)cuprate(II)]","","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","1","0.5","SK3453","Langer, Vratislav; Mach, Pavol; Gyepesová, Dalma; Andrezálová, Lucia; Kohútová, Mária","X-ray and DFT studies of a mono- and binuclear copper(II) ionic compound containing a Schiff base","Acta Crystallographica Section C","2012","68","11","m326","m328","10.1107/S010827011204276X","","","0.71073","MoKα","","0.0367","0.0316","","","0.0834","0.0871","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018672","9.0547","0.0007","8.2304","0.0005","9.3016","0.0007","90","","92.76","0.002","90","","692.39","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-3-carboxy-2-sulfanylpropanoate","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","UK3047","Igawa, Kosuke; Yoshinari, Nobuto; Konno, Takumi","An optically resolved crystal of thiomalate: (<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","Acta Crystallographica Section C","2012","68","9","o332","o334","10.1107/S0108270112032933","","","0.71075","MoKα","","0.051","0.0414","","","0.0942","0.1066","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018673","13.808","0.006","13.808","0.006","9.219","0.004","90","","90","","90","","1757.7","1.3","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","ninhydrin dihydrazone","(1<i>Z</i>,3<i>Z</i>)-1,3-dihydrazinylidene-1<i>H</i>-inden-2(3<i>H</i>)-one","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C72 H64 N32 O8 -","8","1","UK3049","Blake, Alexander J.; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu","1,3-Ninhydrin dihydrazone featuring an <i>R</i>~4~^4^(12) motif with f̱ øverline{4} symmetry and comprising only N and H atoms","Acta Crystallographica Section C","2012","68","9","o362","o364","10.1107/S0108270112034749","","","0.71073","MoKα","","0.0706","0.0388","","","0.088","0.098","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018674","14.7103","0.0002","11.7174","0.0001","19.7281","0.0003","90","","109.145","0.002","90","","3212.39","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","2","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0714","0.0583","","","0.1218","0.1286","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018675","9.8921","0.0001","10.4471","0.0001","15.1403","0.0002","90","","90","","90","","1564.66","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0665","0.0579","","","0.1521","0.156","","","","","","1.188","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018676","22.0249","0.0007","12.5626","0.0005","5.0512","0.0001","90","","90","","90","","1397.62","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0592","0.0365","","","0.0805","0.089","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018677","22.1833","0.0014","12.8024","0.0008","5.0114","0.0003","90","","90","","90","","1423.23","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide","","- C14 H12 F3 N O3 S -","- C14 H12 F3 N O3 S -","- C56 H48 F12 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0877","0.0551","","","0.1097","0.1227","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018678","21.6853","0.0008","12.657","0.0005","5.0586","0.0003","90","","90","","90","","1388.44","0.11","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Iodo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 I N O3 S -","- C13 H12 I N O3 S -","- C52 H48 I4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0385","0.0311","","","0.0701","0.0745","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018679","21.621","0.0007","12.372","0.0003","5.0526","0.0001","90","","90","","90","","1351.55","0.06","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C52 H48 Br4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0333","0.0263","","","0.0551","0.0572","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018680","21.258","0.0015","12.3967","0.0005","5.0526","0.0003","90","","90","","90","","1331.51","0.13","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Chloro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.063","0.0441","","","0.0914","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018681","20.7242","0.0004","12.3551","0.0004","5.0209","0.0001","90","","90","","90","","1285.6","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Fluoro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0287","0.0274","","","0.0746","0.0756","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018682","21.3923","0.0007","12.3691","0.0004","5.0386","0.0002","90","","90","","90","","1333.23","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0355","0.0321","","","0.0718","0.0739","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018683","20.1912","0.0007","12.0001","0.0004","5.1055","0.0001","90","","90","","90","","1237.04","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-phenylbenzenesulfonamide","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0297","0.0276","","","0.0659","0.0671","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018684","7.208","0.0001","12.7611","0.0003","16.3676","0.0004","90","","90","","90","","1505.52","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Oxycodone <i>N</i>-oxide","(5<i>R</i>,9<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-14-hydroxy- 3-methoxy-17-methyl-4,5-epoxymorphinan-6-one <i>N</i>-oxide","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","UK3053","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","Oxycodone <i>N</i>-oxide","Acta Crystallographica Section C","2012","68","11","o436","o438","10.1107/S0108270112040188","","","0.71073","MoKα","","0.0426","0.0338","","","0.0772","0.0806","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018685","12.2292","0.0007","11.835","0.0006","16.9729","0.0008","90","","95.293","0.005","90","","2446.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[bis(pyridin-2-ylmethyl)(quinolin-2-ylmethyl)amine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']bis(thiocyanato- κ<i>S</i>)iron(II)","","- C24 H20 Fe N6 S2 -","- C24 H20 Fe N6 S2 -","- C96 H80 Fe4 N24 S8 -","4","1","WQ3016","Yu, Fan","Magnetic properties of a mononuclear iron(II) complex with a typical FeN~6~ coordination octahedron","Acta Crystallographica Section C","2012","68","10","m287","m290","10.1107/S010827011203209X","","","0.71073","MoKα","","0.0892","0.0439","","","0.0825","0.0889","","","","","","0.811","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018686","7.286","0.0015","11.246","0.002","11.462","0.002","72.21","0.03","73.57","0.03","83.5","0.03","857.4","0.3","223.15","","223.15","","","","","","","","","6","P 1","P 1","1","","<i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]","","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","1","1","WQ3017","Zhong, Kai-Long; Qian, Ming-Yi","A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section C","2012","68","9","m265","m268","10.1107/S0108270112034385","","","0.71073","MoKα","","0.0462","0.0261","","","0.0557","0.0798","","","","","","1.239","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018687","9.6423","0.0002","8.3406","0.0001","13.1461","0.0002","90","","121.218","0.001","90","","904.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>H</i>-Chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0611","0.0452","","","0.1111","0.1198","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018688","31.2492","0.0005","4.6714","0.0001","17.3083","0.0004","90","","121.03","0.002","90","","2165.06","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(8-Methyl-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol monohydrate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0691","0.0505","","","0.1228","0.1334","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018689","4.771","0.0001","14.5605","0.0003","11.407","0.0002","90","","91.974","0.001","90","","791.95","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethyl-6-methylpyridin-3-ol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0627","0.0446","","","0.1331","0.1494","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018690","8.8445","0.0001","13.4026","0.0002","8.4848","0.0001","90","","95.347","0.001","90","","1001.41","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0503","0.0451","","","0.1289","0.1355","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018691","7.4201","0.0006","24.1098","0.0014","7.8614","0.0006","90","","117.566","0.006","90","","1246.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(4-chlorobenzylidene)-4-hydroxybenzohydrazide","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0733","0.0454","","","0.0947","0.1035","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018692","7.6046","0.0007","24.225","0.0018","7.923","0.0007","90","","118.673","0.009","90","","1280.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0653","0.0344","","","0.0712","0.0783","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018693","14.8338","0.001","12.4571","0.0011","9.2935","0.0006","90","","98.687","0.005","90","","1697.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Diethylamino)benzylidene]-4-hydroxybenzohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0896","0.052","","","0.0909","0.1006","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018694","11.3003","0.0003","13.2721","0.0003","17.2019","0.0004","90","","95.398","0.002","90","","2568.48","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate‒ diazabicyclo[2.2.2]octane‒water (1/1/1)","","- C24 H33 Cl2 N3 O5 -","- C24 H33 Cl2 N3 O5 -","- C96 H132 Cl8 N12 O20 -","4","1","YF3020","Solanko, Katarzyna A.; Surov, Artem O.; Perlovich, German L.; Bauer-Brandl, Annette; Bond, Andrew D.","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Acta Crystallographica Section C","2012","68","11","o456","o458","10.1107/S0108270112043405","","","0.71073","MoKα","","0.0727","0.0528","","","0.1192","0.1273","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018695","7.867","0.0016","12.049","0.002","12.481","0.003","80.85","0.03","82.17","0.03","78.84","0.03","1139.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Nb2 O2 Te8 -","- Cl8 Nb2 O2 Te8 -","- Cl16 Nb4 O4 Te16 -","2","1","YP3015","Feldmann, Claus; Freudenmann, Dominic","[Te~8~][NbOCl~4~]~2~ containing an infinite chain-like {[Te‒Te‒Te‒(Te~5~)]^2+^}~<i>n~</i> polycation","Acta Crystallographica Section C","2012","68","10","i68","i70","10.1107/S0108270112038176","","","0.71073","MoKα","","0.0854","0.0472","","","0.1072","0.1149","","","","","","0.908","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018696","5.1253","0.0004","19.4363","0.0014","8.4953","0.0006","90","","93.251","0.003","90","","844.91","0.11","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","1.54178","CuKα","","0.0585","0.0575","","","0.1576","0.1581","","","","","","1.235","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018697","10.1813","0.0002","6.0048","0.0001","18.0625","0.0004","90","","97.7222","0.0008","90","","1094.27","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","0.71073","MoKα","","0.0523","0.0401","","","0.1038","0.1119","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018698","5.581","0.0002","9.202","0.0002","13.561","0.0002","90","","90","","90","","696.44","0.03","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","Barium strontium phosphate","Barium strontium diphosphate","","- Ba1.01 O7 P2 Sr0.99 -","- Ba1.0133 O7 P2 Sr0.9867 -","- Ba4.0532 O28 P8 Sr3.9468 -","4","0.5","BI3047","Edhokkar, Fadhila; Hadrich, Ahmed; Graia, Mohsen; Mhiri, Tahar","Ba~1.01~Sr~0.99~P~2~O~7~: un nouveau site Ba^2+^ révélé par diffraction des rayons X","Acta Crystallographica Section C","2012","68","12","i86","i88","10.1107/S0108270112047002","","","0.71073","MoKα","","0.0185","0.017","","","0.0396","0.04","","","","","","1.143","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018699","13.1578","0.0006","4.6755","0.0002","23.4908","0.0011","90","","95.112","0.002","90","","1439.39","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-O-β-<i>D</i>-mannopyranosyl β-<i>D</i>-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","2","CU3015","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-O-β-<small>D</small>-mannopyranosyl β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","12","o502","o506","10.1107/S0108270112046689","","","1.54178","CuKα","","0.0325","0.0309","","","0.0779","0.0792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018700","40.058","0.004","5.9102","0.0005","24.142","0.002","90","","111.723","0.001","90","","5309.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[aquapyridinecadmium(II)]μ~3~-{4,4'-[(2,4,6-trimethyl- 1,3-phenylene)bis(methylene)]dibenzoato}]","","- C30 H29 Cd N O5 -","- C30 H29 Cd N O5 -","- C240 H232 Cd8 N8 O40 -","8","1","EM3052","Zhang, Xiaolai; Ying, Weiyong","Biphase synthesis of a one-dimensional coordination polymer based on a dinuclear Cd^II^ secondary building unit and a novel semi-rigid dicarboxylate","Acta Crystallographica Section C","2012","68","12","m333","m335","10.1107/S0108270112044587","","","0.71073","MoKα","","0.0535","0.0313","","","0.0637","0.0711","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018701","6.8625","0.0003","10.0319","0.0004","14.1026","0.0006","90","","90","","90","","970.88","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Potassium 1-thio-β-D-glucoside monohydrade","Poly[(μ~2~-aqua)(μ~4~-1-sulfido-β-D-glucoside)potassium]","","- C6 H13 K O6 S -","- C6 H13 K O6 S -","- C24 H52 K4 O24 S4 -","4","1","EM3054","Yoshinari, Nobuto; Kitani, Naoki; Konno, Takumi","The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-<small>D</small>-glucoside monohydrate","Acta Crystallographica Section C","2012","68","12","m363","m366","10.1107/S0108270112047014","","","0.71075","MoKα","","0.0382","0.0378","","","0.0775","0.0779","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018702","12.1015","0.0001","35.8825","0.0004","36.2749","0.0004","86.139","0.001","89.814","0.001","88.461","0.001","15710.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>cyclo</i>-Decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","","- C70 H130 O15 V5 -","- C70 H130 O15 V5 -","- C560 H1040 O120 V40 -","8","4","FG3279","Stinghen, Danilo; Ferreira, Janaina G.; Nunes, Giovana G.; Soares, Jaísa F.","A new ring-like arrangement of vanadyl(IV) groups bridged by monodentate alkoxides: <i>cyclo</i>-decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","Acta Crystallographica Section C","2012","68","12","m353","m355","10.1107/S0108270112045702","","","1.54184","CuKα","","0.0479","0.0441","","","","0.1166","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018703","7.2339","0.0002","21.7998","0.0008","13.0306","0.0004","90","","94.903","0.003","90","","2047.37","0.11","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(5-chloro-8-hydroxyquinolinium) tetrachloridopalladate(II)","","- C18 H14 Cl6 N2 O2 Pd -","- C18 H14 Cl6 N2 O2 Pd -","- C72 H56 Cl24 N8 O8 Pd4 -","4","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0418","0.029","","","0.0497","0.0538","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018704","7.7896","0.0007","13.207","0.0011","7.141","0.0006","90","","91.359","0.007","90","","734.44","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[dimethylammonium [[dichloridopalladate(II)]-μ-chlorido]]","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0389","0.0272","","","0.059","0.0643","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018705","15.8369","0.0005","6.8335","0.0003","8.7459","0.0004","90","","96.087","0.003","90","","941.16","0.07","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis(5-chloroquinolin-8-olate)","","- C20 H20 Cl2 N4 O2 -","- C20 H20 Cl2 N4 O2 -","- C40 H40 Cl4 N8 O4 -","2","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.048","0.0366","","","0.0867","0.0934","","","","","","1.035","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2018706","7.398","0.0004","7.6612","0.0005","8.4536","0.0004","72.4","0.005","76.797","0.005","84.615","0.005","444.47","0.05","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-8-hydroxyquinolinium chloride","","- C9 H7 Cl2 N O -","- C9 H7 Cl2 N O -","- C18 H14 Cl4 N2 O2 -","2","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0406","0.0288","","","0.0674","0.0734","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018707","6.3609","0.001","7.975","0.0013","9.322","0.0015","105.278","0.014","108.055","0.014","101.993","0.014","411.55","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon pentaphosphate hydrogen phosphate","","- Fe6.67 H0.65 O24 P6 -","- Fe6.6738 O24 P6 -","- Fe6.6738 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0306","0.0239","","","0.055","0.0571","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018708","6.3445","0.0002","7.9353","0.0003","9.2829","0.0003","105.303","0.003","108.176","0.003","101.7","0.003","407.03","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon tetraphosphate bis(hydrogen phosphate)","","- Fe6.23 H1.55 O24 P6 -","- Fe6.228 O24 P6 -","- Fe6.228 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0309","0.0267","","","0.0831","0.0854","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018709","7.02","0.003","11.043","0.004","7.803","0.003","90","","92.82","0.04","90","","604.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium trihydrogen hypodiphosphate","","- H3 K O6 P2 -","- H3 K O6 P2 -","- H12 K4 O24 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0265","0.0223","","","0.0557","0.057","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018710","10.021","0.003","7.645","0.002","10.229","0.003","90","","92.18","0.04","90","","783.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dipotassium dihydrogen hypodiphosphate monohydrate","","- H4 K2 O7 P2 -","- H4 K2 O7 P2 -","- H16 K8 O28 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0224","0.0198","","","0.0503","0.051","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018711","14.279","0.004","8.955","0.003","6.665","0.002","90","","98.33","0.04","90","","843.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dipotassium dihydrogen hypodiphosphate dihydrate","","- H6 K2 O8 P2 -","- H6 K2 O8 P2 -","- H24 K8 O32 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0195","0.0181","","","0.0496","0.0501","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018712","10.208","0.003","6.875","0.002","11.769","0.003","90","","102.2","0.04","90","","807.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pentapotassium hydrogen hypodiphosphate dihydrogen hypodiphosphate dihydrate","","- H7 K5 O14 P4 -","- H6.748 K5 O14 P4 -","- H13.496 K10 O28 P8 -","2","0.5","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.045","0.0239","","","0.0454","0.0466","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018713","9.743","0.003","15.725","0.006","14.418","0.006","90","","92.82","0.04","90","","2206.3","1.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium hydrogen hypodiphosphate tetrahydrate","","- H9 K3 O10 P2 -","- H8.717 K3 O10 P2 -","- H69.736 K24 O80 P16 -","8","2","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0791","0.0296","","","0.0436","0.0458","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018714","8.097","0.003","12.281","0.003","11.684","0.003","90","","92.08","0.04","90","","1161.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrapotassium hypodiphosphate tetrahydrate","","- H8 K4 O10 P2 -","- H8 K4 O10 P2 -","- H32 K16 O40 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0274","0.0237","","","0.0441","0.0448","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018715","19.8574","0.0018","4.9195","0.0005","19.6197","0.0018","90","","106.089","0.002","90","","1841.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thio urea","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","","- C21 H18 N2 O S2 -","- C21 H18 N2 O S2 -","- C84 H72 N8 O4 S8 -","4","1","FN3118","Bhattacharjee, Tirtha; Gogoi, Prasanta; Puranik, Vedavati G.; Gawade, Rupesh L.; Barman, Pranjit","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","Acta Crystallographica Section C","2012","68","12","o485","o487","10.1107/S0108270112045167","","","0.71073","MoKα","","0.086","0.0638","","","0.1284","0.1376","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018716","7.8106","0.0016","16.929","0.003","17.144","0.005","90","","105.48","0.03","90","","2184.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","","- C23 H18.82 N4 Ni O6.41 -","- C23 H18.83 N4 Ni O6.415 -","- C92 H75.32 N16 Ni4 O25.66 -","4","1","FN3119","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","Acta Crystallographica Section C","2012","68","12","m336","m339","10.1107/S0108270112044393","","","0.71073","MoKα","","0.0471","0.0362","","","0.0832","0.0877","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018717","11.716","0.003","7.1266","0.0014","13.288","0.002","90","","97.423","0.017","90","","1100.2","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>cis</i>-dibromido[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>']platinum(II)}","","- C6 H14 Br2 N2 Pt -","- C6 H14 Br2 N2 Pt -","- C24 H56 Br8 N8 Pt4 -","4","2","LN3152","Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr","A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics","Acta Crystallographica Section C","2012","68","12","m340","m343","10.1107/S0108270112044770","","","1.54184","CuKα","","0.036","0.0335","","","0.0399","0.0403","","","","","","2.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018718","13.574","0.0007","7.1809","0.0004","42.833","0.002","90","","99.274","0.004","90","","4120.5","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","<i>m</i>-quinquephenyl","1,1':3',1'':3'',1''':3''',1''''-quinquephenyl","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","LN3153","Gomes, Ligia R.; Howie, R. Alan; Low, John Nicolson; Rodrigues, Ana S. M. C.; Santos, Luís M. N. B. F.","A low-temperature polymorph of <i>m</i>-quinquephenyl","Acta Crystallographica Section C","2012","68","12","o492","o497","10.1107/S0108270112046392","","","0.71073","MoKα","","0.0746","0.049","","","0.129","0.1546","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018719","13.1441","0.0003","16.2686","0.0002","14.0631","0.0003","90","","115.506","0.003","90","","2714.12","0.11","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","carbonyl(3-oxopenta-1,4-diene-1,5,-diyl)[tris(3,5-dimethyl-1<i>H</i>- pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","","- C23 H26 F3 Ir N6 O5 S -","- C23 H26 F3 Ir N6 O5 S -","- C92 H104 F12 Ir4 N24 O20 S4 -","4","1","OV3018","Hernández-Juárez, Martín; Salazar-Pereda, Veronica; Padilla-Martínez, Itzia I.; García-Báez, Efrén V.","Carbonyl‒carbonyl and carbonyl‒π interactions as directing motifs in the supramolecular structure of carbonyl(3-oxopenta-1,4-diene-1,5-diyl)[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2012","68","12","m367","m369","10.1107/S010827011204499X","","","1.5418","CuKα","","0.0515","0.0383","","","0.0923","0.1018","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018720","12.4439","0.0011","13.2598","0.0013","13.5937","0.0013","67.228","0.003","81.859","0.003","88.578","0.003","2046.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-2-[bis(pyridin-2-ylmethyl)amino]acetato}bis[diaquamanganese(II)] bis(trifluoromethandsulfonate) monohydrate,","","- C30 H38 F6 Mn2 N6 O15 S2 -","- C30 H38 F6 Mn2 N6 O15 S2 -","- C60 H76 F12 Mn4 N12 O30 S4 -","2","1","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0505","0.0357","","","0.0921","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018721","7.9179","0.0005","21.7212","0.0016","12.2638","0.001","90","","104.599","0.003","90","","2041.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[bis(pyridin-2-ylmethyl)amino]propionato}bis[aquamanganese(II)] bis(trifluoromethandsulfonate) dihydrate","","- C32 H40 F6 Mn2 N6 O14 S2 -","- C32 H40 F6 Mn2 N6 O14 S2 -","- C64 H80 F12 Mn4 N12 O28 S4 -","2","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0688","0.0343","","","0.0676","0.0745","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018722","9.8698","0.0005","10.6007","0.0006","13.9273","0.0008","94.978","0.003","110.547","0.002","104.276","0.002","1297.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","di-μ-oxido-bis(bis{3-[bis(pyridin-2-ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)]","","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","1","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0186","0.0165","","","0.0408","0.0421","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018723","8.1756","0.0004","9.3263","0.0004","13.8965","0.0008","78.369","0.001","83.065","0.002","76.501","0.001","1006.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido- tetraoxidocopper(II)tetramolybdenum(VI)]","","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","1","0.5","SF3184","Liu, Hou-Ting; Lu, Jing","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido-tetraoxidocopper(II)tetramolybdenum(VI)]","Acta Crystallographica Section C","2012","68","12","m329","m332","10.1107/S0108270112043648","","","0.71073","MoKα","","0.0336","0.0272","","","0.063","0.0664","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018724","7.9853","0.0006","10.8365","0.0007","28.974","0.002","90","","95.123","0.001","90","","2497.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-dichloridotetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl- κ<i>N</i>^4^)propan-1-one]copper(II) hexahydrate","","- C44 H56 Cl2 Cu N12 O10 -","- C44 H56 Cl2 Cu N12 O10 -","- C88 H112 Cl4 Cu2 N24 O20 -","2","0.5","SK3456","Guo, Jian-Hua","Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up‒up‒down‒down (uudd) cyclic water tetramer and <i>X</i>—H···Cl (<i>X</i> = O and C) hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","12","m344","m346","10.1107/S0108270112045362","","","0.71073","MoKα","","0.0516","0.0346","","","0.0862","0.0925","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018725","8.4292","0.0003","12.4129","0.0004","12.085","0.0004","90","","131.175","0.002","90","","951.76","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","0.5","SK3457","Trdin, Miha; Lah, Nina","A new polymorphic form of bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section C","2012","68","12","m359","m362","10.1107/S0108270112046422","","","0.71073","MoKα","","0.0389","0.0313","","","0.0707","0.0753","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018726","7.8874","0.0003","19.3046","0.0008","14.2966","0.0007","90","","102.164","0.004","90","","2127.97","0.16","99.97","0.12","99.97","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline- κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","","- C22 H23 Cl2 N3 Pd -","- C22 H23 Cl2 N3 Pd -","- C88 H92 Cl8 N12 Pd4 -","4","1","SK3458","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2012","68","12","m356","m358","10.1107/S0108270112045970","","","0.71073","MoKα","","0.036","0.0304","","","0.0669","0.0712","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018727","8.735","0.005","15.54","0.01","24.238","0.015","90","","90","","90","","3290","3","299","1","299","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-leucyl-glycine dihydrate","<i>L</i>-Leucylglycine 0.67-hydrate","","- C24 H52 N6 O11 -","- C24 H52 N6 O11 -","- C96 H208 N24 O44 -","4","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0742","0.0602","","","0.149","0.1605","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018728","6.006","0.0014","6.8782","0.0018","7.9717","0.0018","90.202","0.011","98.272","0.008","107.193","0.011","310.96","0.13","298","2","298","2","","","","","","","","4","P 1","P 1","1","","[(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)- 5-oxoimidazolidin-3-ium-1-yl]acetate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","1","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0346","0.0342","","","0.0926","0.0934","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018729","8.0948","0.0002","9.3747","0.0002","36.291","0.001","90","","93.128","0.001","90","","2749.89","0.12","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(furosemide).(pentoxifylline)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione (1/1)","","- C25 H29 Cl N6 O8 S -","- C25 H29 Cl N6 O8 S -","- C100 H116 Cl4 N24 O32 S4 -","4","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1609","0.0699","","","0.1336","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018730","8.4052","0.0002","9.4494","0.0003","19.6748","0.0009","92.649","0.001","99.17","0.002","111.466","0.001","1426.35","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(water)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ water (1/1/1)","","- C25 H31 Cl N6 O9 S -","- C25 H31 Cl N6 O9 S -","- C50 H62 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1581","0.0796","","","0.1599","0.1903","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018731","9.3099","0.0002","9.5317","0.0003","19.2653","0.0007","99.733","0.002","96.057","0.002","109.197","0.003","1567.27","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(acetone)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ acetone (1/1/1)","","- C28 H35 Cl N6 O9 S -","- C28 H35 Cl N6 O9 S -","- C56 H70 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1248","0.0629","","","0.1232","0.1465","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018732","14.146","0.003","16.358","0.003","22.856","0.005","90","","90","","90","","5288.9","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(3,5-diphenylpyrazolato-κ^2^<i>N</i>,<i>N</i>')tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III) tetrahydrofuran monosolvate","","- C61 H65 La N6 O4 -","- C61 H65 La N6 O4 -","- C244 H260 La4 N24 O16 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0309","0.0294","","","0.053","0.0539","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018733","11.531","0.002","18.688","0.004","23.827","0.007","90","","108.38","0.03","90","","4873","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diphenyl-1,2,4-triazolato- κ^2^<i>N</i>^1^,<i>N</i>^2^)tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III)","","- C54 H54 La N9 O3 -","- C54 H54 La N9 O3 -","- C216 H216 La4 N36 O12 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0288","0.0261","","","0.0618","0.0633","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018734","16.649","0.003","6.0854","0.001","9.8244","0.0016","90","","101.365","0.003","90","","975.8","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","","- C8 H9 Na O5 S -","- C8 H9 Na O5 S -","- C32 H36 Na4 O20 S4 -","4","1","EG3104","Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo","An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","Acta Crystallographica Section C","2013","69","1","52","55","10.1107/S0108270112047774","","","0.71073","MoKα","","0.0787","0.0505","","","0.1174","0.1323","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018735","11.6246","0.0005","11.6246","0.0005","11.5864","0.0005","90","","90","","120","","1355.92","0.1","200","2","200","2","","","","","","","","5","P 32","P 32","145","","(<i>S</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C54 H63 N3 O9 Sn3 -","3","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0211","0.0206","","","0.0497","0.0501","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018736","8.3148","0.0005","8.6633","0.0005","12.432","0.0008","71.03","0.005","87.44","0.006","84.553","0.005","842.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C36 H42 N2 O6 Sn2 -","2","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0348","0.0344","","","0.0954","0.096","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018737","7.4932","0.0008","10.5834","0.0011","11.4141","0.0012","102.69","0.002","100.459","0.002","101.986","0.002","838.99","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]- 1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","","- C17 H10 F5 N5 O2 -","- C17 H10 F5 N5 O2 -","- C34 H20 F10 N10 O4 -","2","1","EM3056","Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2013","69","1","101","104","10.1107/S0108270112048573","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1083","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018738","7.5892","0.0003","10.1399","0.0004","10.7325","0.0005","108.675","0.002","109.92","0.002","101.025","0.004","692.53","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']copper(II) hexahydrate","","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","1","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0744","0.0642","","","0.164","0.1722","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018739","7.73","0.0003","9.3475","0.0004","15.6518","0.0006","90","","98.499","0.002","90","","1118.52","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']cobalt(II)","","- C22 H18 Co N4 O8 S2 -","- C22 H18 Co N4 O8 S2 -","- C44 H36 Co2 N8 O16 S4 -","2","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0641","0.0481","","","0.1138","0.1236","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018740","9.7292","0.0002","9.7292","0.0002","34.3125","0.0013","90","","90","","90","","3247.93","0.16","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl- κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C152 H96 N40 Zn4 -","4","0.5","FA3291","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2013","69","1","47","51","10.1107/S0108270112050482","","","0.71073","MoKα","","0.0545","0.0383","","","0.0875","0.0901","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018741","6.5002","0.0004","10.8931","0.0007","11.8005","0.0008","103.793","0.006","102.111","0.006","95.836","0.006","783.22","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","asarinin","(1<i>RS</i>,3a<i>RS</i>,4<i>SS</i>,6a<i>RS</i>)-1,4-bis(benzo[<i>d</i>][1,3]dioxol-5-yl)hexahydrofuro[3,4-<i>c</i>]furan","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","FA3296","Negi, Devendra Singh; Negi, Nisha; Kumar, Ashok; Matsunami, Katsuyoshi; Schulz, Stefan; Jones, Peter G.","(±)-Asarinin","Acta Crystallographica Section C","2013","69","1","87","89","10.1107/S0108270112049657","","","1.54184","CuKα","","0.0351","0.0348","","","0.0857","0.086","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018742","11.9857","0.0002","7.9094","0.0002","11.6777","0.0002","90","","93.778","0.002","90","","1104.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","FA3297","Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.","True symmetry or pseudosymmetry: 5-amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenylsulfonyl analogue","Acta Crystallographica Section C","2013","69","1","90","92","10.1107/S0108270112049906","","","0.71073","MoKα","","0.0342","0.031","","","0.0806","0.0826","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018743","13.022","0.003","4.9269","0.001","19.42","0.004","90","","92.54","0.03","90","","1244.7","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~- oxalato)dilanthanum(III)]","","- C9 H10 La N2 O9 -","- C9 H10 La N2 O9 -","- C36 H40 La4 N8 O36 -","4","1","FG3274","Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun","A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)]","Acta Crystallographica Section C","2013","69","1","5","7","10.1107/S0108270112048184","","","0.71073","MoKα","","0.0213","0.0204","","","0.0519","0.0524","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018744","21.4175","0.0002","5.9779","0.0001","17.6539","0.0002","90","","106.648","0.001","90","","2165.51","0.05","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5'-Dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine","","- C24 H18 Br2 N2 S2 -","- C24 H18 Br2 N2 S2 -","- C96 H72 Br8 N8 S8 -","4","0.5","FG3278","Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel","Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions","Acta Crystallographica Section C","2013","69","1","56","60","10.1107/S0108270112048196","","","1.5418","CuKα","","0.0168","0.0166","","","0.0442","0.0443","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018745","8.0894","0.0016","12.037","0.003","15.39","0.003","89.774","0.019","89.466","0.017","76.691","0.017","1458.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-thiouracil dimethylformamide disolvate","","- C10 H19 N5 O3 S -","- C10 H19 N5 O3 S -","- C40 H76 N20 O12 S4 -","4","2","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1932","0.077","","","0.1524","0.199","","","","","","0.899","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018746","9.4615","0.0009","9.2679","0.0011","13.4208","0.0012","90","","101.801","0.007","90","","1152","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-2-thiouracil dimethylacetamide monosolvate","","- C8 H14 N4 O2 S -","- C8 H14 N4 O2 S -","- C32 H56 N16 O8 S4 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0438","0.0404","","","0.1156","0.118","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018747","15.2133","0.0007","7.4335","0.0013","24.445","0.003","90","","90","","90","","2764.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil dimethylacetamide sesquisolvate","","- C20 H37 N9 O5 S2 -","- C20 H37 N9 O5 S2 -","- C80 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.107","0.0634","","","0.1","0.1127","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018748","15.2293","0.001","7.5483","0.0004","25.1871","0.0013","90","","90","","90","","2895.4","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C92 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0747","0.062","","","0.1648","0.1698","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018749","7.5509","0.0007","15.2328","0.0012","50.601","0.003","90","","90","","90","","5820.2","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C184 H296 N72 O40 S16 -","8","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1821","0.0789","","","0.1835","0.2288","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018750","11.3011","0.0003","19.276","0.0004","6.6725","0.0002","90","","90","","90","","1453.54","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Diethyl 2-[(2-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","0.5","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0699","0.0487","","","0.1369","0.1543","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018751","10.997","0.0011","10.8919","0.0011","12.3244","0.0012","90","","105.206","0.001","90","","1424.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2-[(4-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0439","0.0381","","","0.1097","0.117","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018752","7.2846","0.0016","14.938","0.003","7.8594","0.0017","90","","90","","90","","855.2","0.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetrasamarium lithium tetragermanide","","- Ge4 Li1.03 Sm3.97 -","- Ge4 Li1.034 Sm3.966 -","- Ge16 Li4.136 Sm15.864 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0405","0.0276","","","0.047","0.0508","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018753","7.3649","0.0012","15.092","0.002","7.9406","0.0013","90","","90","","90","","882.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetraneodymium lithium tetragermanide","","- Ge4 Li1.03 Nd3.97 -","- Ge4 Li1.03 Nd3.97 -","- Ge16 Li4.12 Nd15.88 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0601","0.0361","","","0.0533","0.0597","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018754","7.188","0.002","14.816","0.005","7.767","0.003","90","","90","","90","","827.2","0.5","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetragadolinium lithium tetragermanide","","- Gd3.96 Ge4 Li1.04 -","- Gd3.954 Ge4 Li1.046 -","- Gd15.816 Ge16 Li4.184 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0608","0.0396","","","0.0787","0.0865","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018755","13.714","0.001","22.799","0.002","8.0786","0.0005","90","","111.94","0.004","90","","2343","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetra(sarcosine) potassium iodide dihydrate","<i>catena</i>-Poly[[potassium-tetra-μ-sarcosine- κ^4^<i>O</i>:<i>O</i>';κ^4^<i>O</i>:<i>O</i>] iodide dihydrate]","","- C12 H32 I K N4 O10 -","- C12 H32 I K N4 O10 -","- C48 H128 I4 K4 N16 O40 -","4","0.5","MX3086","Fleck, Michel; Ghazaryan, Vahram V.; Petrosyan, Aram M.","Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures","Acta Crystallographica Section C","2013","69","1","11","16","10.1107/S0108270112048597","","","0.71073","MoKα","","0.0533","0.0325","","","0.0653","0.0725","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018756","14.424","0.004","6.3401","0.0016","7.234","0.002","90","","92.51","0.03","90","","660.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","","- C14 H10 N2 O5 Zn -","- C14 H10 N2 O5 Zn -","- C28 H20 N4 O10 Zn2 -","2","0.5","MX3089","Liu, Lei-Lei; Zhao, Feng","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","Acta Crystallographica Section C","2013","69","1","29","32","10.1107/S0108270112048974","","","0.71073","MoKα","","0.0326","0.0295","","","0.069","0.0716","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018757","9.219","0.003","5.815","0.002","12.263","0.004","90","","99.74","0.03","90","","647.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl (2<i>S</i>)-2-[(<i>tert</i>-butoxycarbonyl)amino]butanedioate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0347","0.0303","","","0.0767","0.0784","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018758","5.922","0.002","9.635","0.002","33.026","0.008","90","","90","","90","","1884.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2<i>S</i>)-2-{bis[(<i>tert</i>-butoxycarbonyl]amino}butanedioate","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C64 H108 N4 O32 -","4","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0413","0.0333","","","0.082","0.0841","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018759","11.147","0.006","5.985","0.003","16.32","0.008","90","","90","","90","","1088.8","1","93","1","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Tripotassium formatotetraperoxidodimolybdate","Tripotassium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H K3 Mo2 O13 -","- C H K3 Mo2 O13 -","- C4 H4 K12 Mo8 O52 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0163","0.0159","","","0.0398","0.0401","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018760","11.472","0.004","6.208","0.002","16.633","0.006","90","","90","","90","","1184.6","0.7","93","2","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Trirubidium formatotetraperoxidodimolybdate","Trirubidium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H Mo2 O13 Rb3 -","- C H Mo2 O13 Rb3 -","- C4 H4 Mo8 O52 Rb12 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0265","0.0254","","","0.0573","0.0582","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018761","6.091","0.002","11.622","0.004","16.8","0.005","90","","90","","90","","1189.3","0.7","93","2","93","1","","","","","","","","5","P b c m","-P 2c 2b","57","Triammonium formatotetraperoxidodimolybdate","Triammonium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H13 Mo2 N3 O13 -","- C H13 Mo2 N3 O13 -","- C4 H52 Mo8 N12 O52 -","4","0.5","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0189","0.0176","","","0.0427","0.0434","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018762","8.8956","0.0018","10.161","0.002","11.233","0.002","77.14","0.03","86.51","0.03","84.8","0.03","984.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^- bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","1","0.5","SF3189","Li, Fa-Zhan; Li, Guo-Ting","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","Acta Crystallographica Section C","2013","69","1","33","36","10.1107/S0108270112050214","","","0.71073","MoKα","","0.0476","0.0393","","","0.0974","0.103","","","","","","1.048","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018763","6.5227","0.0008","7.4153","0.0008","8.7646","0.001","90","","90","","90","","423.92","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead(II) formate","Poly[di-μ~4~-formato-lead(II)]","","- C2 H2 O4 Pb -","- C2 H2 O4 Pb -","- C8 H8 O16 Pb4 -","4","1","SK3452","Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio","Re-investigation of lead(II) formate","Acta Crystallographica Section C","2013","69","1","41","43","10.1107/S010827011204913X","","","0.71073","MoKα","","0.044","0.0354","","","0.0769","0.0794","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018764","7.752","0.002","20.566","0.007","14.141","0.004","90","","99.639","0.006","90","","2222.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~3~-phthalato)[μ~2~-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1- ido]dicopper(II)]","","- C24 H16 Cu2 N6 O4 -","- C24 H16 Cu2 N6 O4 -","- C96 H64 Cu8 N24 O16 -","4","1","SK3461","Cai, Hua; Guo, Ying; Li, Jian-Gang","Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions","Acta Crystallographica Section C","2013","69","1","8","10","10.1107/S0108270112048937","","","0.71073","MoKα","","0.0591","0.0297","","","0.0648","0.0791","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018765","12.4413","0.001","15.8116","0.0018","7.1805","0.001","90","","103.037","0.009","90","","1376.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(4-chloroanilino)-3-nitrobenzoate","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.1125","0.0589","","","0.1335","0.1633","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018766","14.214","0.002","11.7391","0.001","11.058","0.0014","90","","98.908","0.01","90","","1822.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.0761","0.0464","","","0.1012","0.1167","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018767","8.415","0.0007","12.8669","0.0011","15.2441","0.0014","90","","90","","90","","1650.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","1","WQ3020","Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu","An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate","Acta Crystallographica Section C","2013","69","1","61","65","10.1107/S0108270112047877","","","0.71073","MoKα","","0.0912","0.0487","","","0.1158","0.1519","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018768","27.838","0.004","27.838","0.004","11.779","0.002","90","","90","","90","","9128","2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrakis[μ-2-(quinolin-8-yloxy)acetato]tetrakis[μ-2-(quinolin-8- yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate","","- C88 H68 Cd4 Cl4 N12 O34 -","- C88 H68 Cd4 Cl4 N12 O34 -","- C352 H272 Cd16 Cl16 N48 O136 -","4","0.5","WQ3022","Liu, Ming-Liang; Ye, Qiong","A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand","Acta Crystallographica Section C","2013","69","1","17","20","10.1107/S0108270112049360","","","0.71073","MoKα","","0.0686","0.0477","","","0.0944","0.1027","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018769","12.7125","0.0014","7.8246","0.0004","16.579","0.002","90","","106.904","0.009","90","","1577.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)- 1,3-thiazolidin-4(5<i>H</i>)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","YF3021","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)-1,3-thiazolidin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2013","69","1","74","76","10.1107/S0108270112047956","","","0.71073","MoKα","","0.1193","0.0539","","","0.1129","0.1396","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018770","10.758","0.0001","10.758","0.0001","38.073","0.0003","90","","90","","120","","3816.02","0.06","183","2","183","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","decacalcium hexakis[chromate(V)] chromate(VI)","","- Ca10 Cr7 O28 -","- Ca10 Cr7 O28 -","- Ca60 Cr42 O168 -","6","0.333333","BI3051","Gyepesová, Dalma; Langer, Vratislav","Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning","Acta Crystallographica Section C","2013","69","2","111","113","10.1107/S0108270113000723","","","0.71073","MoKα","","0.0269","0.0239","","","0.0585","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018771","5.921","0.0008","5.921","0.0008","21.016","0.004","90","","90","","120","","638.07","0.17","298","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium di-μ-hydroxydo-di-μ-vanadato-tricobaltate(II)","","- Ba Co3 H2 O10 V2 -","- Ba Co3 H2 O10 V2 -","- Ba3 Co9 H6 O30 V6 -","3","0.0833333","BI3052","Dordević, Tamara; Karanović, Ljiljana","Ba[Co~3~(VO~4~)~2~(OH)~2~] with a regular Kagomé lattice","Acta Crystallographica Section C","2013","69","2","114","118","10.1107/S0108270113001972","","","0.71069","MoKα","","0.0191","0.0184","","","0.0596","0.0599","","","","","","1.325","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018772","8.6437","0.0003","9.5322","0.0003","21.8594","0.0008","90","","95.657","0.003","90","","1792.3","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) thiosulfate","","- C12 H32 N2 O3 S2 -","- C12 H32 N2 O3 S2 -","- C48 H128 N8 O12 S8 -","4","1","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0467","0.0422","","","0.1068","0.1095","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018773","11.7834","0.0004","12.3519","0.0006","19.9312","0.0008","90","","97.017","0.004","90","","2879.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butylammonium) thiosulfate","","- C8 H24 N2 O3 S2 -","- C8 H24 N2 O3 S2 -","- C64 H192 N16 O24 S16 -","8","2","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0508","0.034","","","0.0804","0.0843","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018774","5.1955","0.0006","10.3017","0.0017","20.943","0.002","90","","90","","90","","1120.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0403","0.0354","","","0.0881","0.0896","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018775","8.7869","0.0008","8.2847","0.001","9.8588","0.001","90","","95.718","0.008","90","","714.12","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}silver(I)] trihydrate]","","- C10 H21 Ag N2 O6 S -","- C10 H21 Ag N2 O6 S -","- C20 H42 Ag2 N4 O12 S2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0235","0.0227","","","0.0608","0.0611","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018776","21.8568","0.0012","8.0321","0.0004","16.8886","0.0009","90","","99.337","0.004","90","","2925.6","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","<i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]","","- C20 H34 Ag2 N6 O13 S2 -","- C20 H34 Ag2 N6 O13 S2 -","- C80 H136 Ag8 N24 O52 S8 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0221","0.0187","","","0.0401","0.0408","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018777","15.113","0.0007","9.6028","0.0003","28.667","0.0013","90","","90.946","0.004","90","","4159.8","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[silver(I)-bis{μ~2~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridophosphate]","","- C20 H32 Ag F6 N4 O6 P S2 -","- C20 H32 Ag F6 N4 O6 P S2 -","- C120 H192 Ag6 F36 N24 O36 P6 S12 -","6","3","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0496","0.0437","","","0.107","0.1092","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018778","9.6902","0.0011","14.6452","0.0012","9.8604","0.0012","90","","91.167","0.01","90","","1399","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[[{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4- yl]pentanoato}silver(I)]-μ~2~-{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridoantimonate]","","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C40 H64 Ag2 F12 N8 O12 S4 Sb2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0281","0.0261","","","0.0637","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018779","9.9504","0.0015","8.849","0.0014","10.0077","0.0016","90","","99.731","0.009","90","","868.5","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","","- C8 H4 Cl N O2 Te -","- C8 H4 Cl N O2 Te -","- C32 H16 Cl4 N4 O8 Te4 -","4","1","EG3105","Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","Acta Crystallographica Section C","2013","69","2","156","157","10.1107/S0108270112050196","","","0.71073","MoKα","","0.028","0.024","","","0.053","0.055","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018780","9.0848","0.0003","6.2043","0.0002","13.1207","0.0005","90","","107.792","0.002","90","","704.17","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Hydroxy-1,3-dihydro-2,3,1-benzoxazaborinin-4-one","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","","- C7 H6 B N O3 -","- C7 H6 B N O3 -","- C28 H24 B4 N4 O12 -","4","1","FA3302","Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P.","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2013","69","2","183","185","10.1107/S0108270113000681","","","0.71073","MoKα","","0.0351","0.0336","","","0.101","0.1027","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018781","10.4235","0.0002","19.1651","0.0002","37.2907","0.0004","90","","90","","90","","7449.47","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","telaprevir","(1<i>S</i>,3a<i>R</i>,6a<i>S</i>)-2-((2<i>S</i>)-2-{[(2<i>S</i>)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino}-3,3-dimethylbutanoyl)-<i>N</i>-[(3<i>S</i>)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1<i>H</i>-cyclopenta[<i>c</i>]pyrrole-1-carboxamide","","- C36 H53 N7 O6 -","- C36 H53 N7 O6 -","- C288 H424 N56 O48 -","8","2","FN3124","Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J.","Telaprevir: helical chains based on three-point hydrogen-bond connections","Acta Crystallographica Section C","2013","69","2","179","182","10.1107/S0108270113000954","","","1.5418","CuKα","","0.0493","0.0469","","","0.1192","0.1214","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018782","10.4687","0.0002","12.8659","0.0003","13.8539","0.0003","83.28","0.001","84.374","0.001","69.611","0.001","1733.76","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate","","- C31 H26 N11 O7.5 S3 Zn12 -","- C31 H26 N11 O7.5 S3 Zn -","- C62 H52 N22 O15 S6 Zn2 -","2","1","GZ3218","Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R.","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K","Acta Crystallographica Section C","2013","69","2","119","122","10.1107/S0108270112051372","","","0.71073","MoKα","","0.0476","0.0381","","","","0.1132","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018783","19.007","0.0014","3.8621","0.0003","15.137","0.0011","90","","107.41","0.0015","90","","1060.25","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0305","0.0278","","","0.0809","0.0827","","","","","","1.146","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018784","15.331","0.002","3.8621","0.0005","18.087","0.002","90","","90","","90","","1070.9","0.2","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0303","0.028","","","0.0706","0.072","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018785","8.9266","0.0004","8.9266","0.0004","22.0738","0.0014","90","","90","","120","","1523.28","0.14","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.914 O12 P3 Sc Zr -","- Cu11.484 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.022","0.0213","","","0.0504","0.0505","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018786","8.9344","0.0005","8.9344","0.0005","22.0918","0.0016","90","","90","","120","","1527.19","0.16","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.908 O12 P3 Sc Zr -","- Cu11.448 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0291","0.0265","","","0.0561","0.057","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018787","8.9206","0.0007","8.9206","0.0007","22.071","0.002","90","","90","","120","","1521","0.2","300","2","300","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.926 O12 P3 Sc Zr -","- Cu11.556 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0253","0.0226","","","0.0547","0.0576","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018788","4.1792","0.0008","11.618","0.002","13.238","0.003","70.44","0.03","83.71","0.03","89.91","0.03","601.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercury(II)]","","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","1","0.5","KU3085","Jin, Lei; Wu, De-Hong","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercurate(II)]","Acta Crystallographica Section C","2013","69","2","142","145","10.1107/S0108270113001807","","","0.71073","MoKα","","0.0585","0.0498","","","0.0994","0.104","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018789","11.3855","0.0008","11.3863","0.0009","11.5351","0.0008","62.22","0.009","81.596","0.011","65.878","0.009","1205.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1'-Biadamantane-3,3'-diol","","- C20 H30 O2 -","- C20 H30 O2 -","- C60 H90 O6 -","3","1.5","KY3025","Domasevitch, Konstantin V.","1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon","Acta Crystallographica Section C","2013","69","2","175","178","10.1107/S0108270112051785","","","0.71073","MoKα","","0.0566","0.0344","","","0.0806","0.0859","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018790","8.517","0.004","21.699","0.009","14.301","0.006","90","","90.31","0.009","90","","2643","2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-bromo-5-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C104 H80 Br8 N24 O24 -","8","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.062","0.0524","","","0.1174","0.1224","","","","","","1.172","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018791","7.9022","0.0011","11.7662","0.0017","14.917","0.002","68.971","0.005","83.143","0.006","88.375","0.006","1285.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C52 H40 Br4 N12 O12 -","4","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.0916","0.0525","","","0.1134","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018792","21.965","0.003","14.003","0.002","23.836","0.004","90","","106.08","0.003","90","","7044.5","1.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","","- C60 H70 Co2 N12 O23 V4 -","- C60 H70 Co2 N12 O23 V4 -","- C240 H280 Co8 N48 O92 V16 -","4","0.5","SF3188","Zhang, Ke; Liang, Da-Dong; Wang, Ming-Hui; Liu, Yan; Luan, Guo-You","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","Acta Crystallographica Section C","2013","69","2","138","141","10.1107/S0108270112051244","","","0.71073","MoKα","","0.0871","0.0468","","","0.0901","0.1041","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018793","4.8315","0.0012","19.976","0.005","6.3551","0.0013","90","","104.69","0.02","90","","593.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-deazahypoxanthine","3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H5 N3 O -","- C6 H5 N3 O -","- C24 H20 N12 O4 -","4","1","SK3467","Novotná, Radka; Trávníček, Zdeněk","Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine","Acta Crystallographica Section C","2013","69","2","158","161","10.1107/S0108270112050767","","","0.71073","MoKα","","0.0879","0.0485","","","0.0919","0.1017","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018794","9.7137","0.0019","8.0745","0.0016","15.396","0.003","90","","98.73","0.03","90","","1193.6","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","poly[[μ-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","","- C10 H8 Cu I N4 -","- C10 H8 Cu I N4 -","- C40 H32 Cu4 I4 N16 -","4","1","SK3470","Huang, Wenjiang; Zhang, Jinfang; Li, Jianghua; Zhang, Chi","A twofold interwoven two-dimensional→two-dimensional (2-D→2-D) cluster‒organic network based on the [Cu~2~I~2~] cluster and the 4,4'-(diazenediyl)dipyridine ligand: poly[[μ~2~-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","Acta Crystallographica Section C","2013","69","2","123","126","10.1107/S0108270113000942","","","0.71073","MoKα","","0.0876","0.0603","","","0.0838","0.0934","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018795","3.937","0.0009","11.977","0.003","21.482","0.006","90","","90","","90","","1013","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Allyloxy-7-chloroquinoline","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0371","0.0321","","","0.0733","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018796","3.812","0.0004","10.9801","0.0011","20.348","0.002","90","","93.591","0.007","90","","850.02","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-methoxyquinoline","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C40 H32 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0454","0.0353","","","0.092","0.097","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018797","3.932","0.01","11.98","0.03","20.86","0.06","90","","90.56","0.06","90","","983","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-ethoxyquinoline","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C44 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.2044","0.1091","","","0.2499","0.3243","","","","","","0.823","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018798","67.0788","0.0015","4.4717","0.0001","18.2399","0.0004","90","","101.216","0.002","90","","5366.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Dibromo-4,5-bis(decyloxy)benzene","","- C26 H44 Br2 O2 -","- C26 H44 Br2 O2 -","- C208 H352 Br16 O16 -","8","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.7107","MoKα","","0.0724","0.0692","","","0.1836","0.1844","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018799","50.158","0.005","8.36","0.003","9.248","0.003","90","","94.136","0.005","90","","3867.8","1.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,2-Dibromo-4,5-bis(hexadecyloxy)benzene","","- C38 H68 Br2 O2 -","- C38 H68 Br2 O2 -","- C152 H272 Br8 O8 -","4","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.71069","MoKα","","0.0387","0.024","","","0.0516","0.0533","","","","","","0.841","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018800","9.0535","0.0013","9.6033","0.0014","9.6034","0.0014","104.944","0.004","91.574","0.004","113.765","0.004","730.11","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(ethane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>S</i>- [bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ- thiocyanato-κ^2^<i>S</i>:<i>S</i>] tetrakis(perchlorate)]","","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","1","0.5","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0293","0.0263","","","0.0698","0.0718","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018801","30.515","0.002","8.3572","0.0009","7.443","0.0007","90","","96.507","0.003","90","","1885.9","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate","","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C24 H76 Cl8 N24 O38 Pt4 S8 -","4","1","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0213","0.02","","","0.0407","0.0416","","","","","","0.839","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018802","7.399","0.0005","9.609","0.003","12.449","0.003","73.3","0.02","82.68","0.014","72.693","0.013","808.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl <i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C32 H38 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0786","0.0452","","","0.103","0.1201","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018803","20.045","0.004","8.6868","0.0007","17.99","0.003","90","","114.064","0.011","90","","2860.3","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{2-Amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinamide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C112 H128 N48 O16 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0765","0.0491","","","0.1049","0.1189","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018804","16.707","0.006","10.218","0.002","20.733","0.005","90","","105.929","0.019","90","","3403.5","1.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin- 4-yl}propionate","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C136 H168 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0798","0.0441","","","0.0825","0.0948","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018805","15.636","0.004","6.5674","0.0018","17.336","0.005","90","","113.44","0.018","90","","1633.3","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl <i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C64 H76 N20 O12 -","4","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0872","0.0589","","","0.1417","0.1646","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018806","24.8226","0.0005","7.1379","0.0014","20.601","0.002","90","","106.213","0.008","90","","3504.9","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin- 4-yl}propionate","","- C18 H23 N5 O3 -","- C18 H23 N5 O3 -","- C144 H184 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0816","0.0453","","","0.0898","0.1038","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018807","8.04","0.004","10.391","0.003","10.458","0.008","109.16","0.03","98.19","0.05","103.1","0.03","781.2","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 3-amino-<i>N</i>-[2-amino-5-formyl-6-(piperidin-4-yl)pyrimidin-4-yl]propionate","","- C15 H23 N5 O3 -","- C15 H23 N5 O3 -","- C30 H46 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0772","0.0512","","","0.1181","0.1342","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018808","7.9609","0.0007","11.2732","0.0009","15.8323","0.0011","101.794","0.006","95.41","0.007","109.767","0.008","1288.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium); oxalate; oxalic acid","","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","1","0.5","YF3023","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. III. Bis(aripiprazolium) oxalate‒oxalic acid (1/1)","Acta Crystallographica Section C","2013","69","2","186","190","10.1107/S0108270113001133","","","0.71073","MoKα","","0.0942","0.0574","","","0.1373","0.1599","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018809","4.957","0.002","8.737","0.003","13.562","0.005","93.22","0.03","97.02","0.03","91.05","0.03","581.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole- 3-amine","","- C11 H9 F3 N4 O2 -","- C11 H9 F3 N4 O2 -","- C22 H18 F6 N8 O4 -","2","1","YF3024","Portilla, Jaime; Ontiveros, Ina; Cobo, Justo; Glidewell, Christopher","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-amine: a chain of hydrogen-bonded <i>R</i>~2~^2^(6) and <i>R</i>~2~^2^(16) rings","Acta Crystallographica Section C","2013","69","2","172","174","10.1107/S0108270113000607","","","0.71073","MoKα","","0.0618","0.0459","","","0.1133","0.1246","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018810","6.8162","0.0012","10.6307","0.0011","13.924","0.0014","90","","96.954","0.018","90","","1001.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C20 H40 N8 O28 P8 -","4","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.603","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018811","8.4217","0.0013","8.6039","0.0011","8.1818","0.0012","92.778","0.016","112.415","0.017","116.072","0.019","475.33","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C10 H20 N4 O14 P4 -","2","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.133","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018812","7.5894","0.0007","10.55","0.001","11.238","0.002","62.88","0.01","71.89","0.01","77.782","0.009","758.6","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,10,11-Hexahydroxytriphenylene methanol monosolvate","","- C19 H16 O7 -","- C19 H16 O7 -","- C38 H32 O14 -","2","1","CU3018","Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars","A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates","Acta Crystallographica Section C","2013","69","3","251","254","10.1107/S0108270113001893","","","0.71073","MoKα","","0.0956","0.0525","","","0.0927","0.1141","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018813","13.718","0.01","11.542","0.008","17.946","0.013","90","","108.134","0.013","90","","2700","3","300","2","300","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","SHELXL-97","Perchlorotriphenylmethyl","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","0.5","DT3016","Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","The perchlorotriphenylmethyl (PTM) radical","Acta Crystallographica Section C","2013","69","3","255","257","10.1107/S0108270113002072","","","0.71073","MoKα","","0.2132","0.0925","","","0.2736","0.3455","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018814","10.0002","0.0009","10.1568","0.0008","10.2186","0.0008","89.906","0.006","66.363","0.005","75.805","0.005","916.32","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cobalt(II)] dihydrate]","","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","1","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0736","0.051","","","0.1135","0.1247","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018815","14.5363","0.0012","14.9862","0.0013","18.3813","0.0017","90","","105.384","0.007","90","","3860.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cadmium(II)] dihydrate]","","- C36 H46 Cd N8 O10 -","- C36 H46 Cd N8 O10 -","- C144 H184 Cd4 N32 O40 -","4","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0685","0.0442","","","0.071","0.0772","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018816","10.978","0.0003","12.7452","0.0003","12.7755","0.0003","63.131","0.002","68.173","0.002","83.141","0.002","1477.67","0.07","120.3","","120","","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Bis(dimethylformamide-κ<i>O</i>)bis[<i>N</i>,<i>N</i>'-<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>-butyloxybis(phosphonic diamide-κ<i>O</i>)]manganese(II) dichloride dihydrate","","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","1","0.5","FA3292","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Fejfarová, Karla; Dušek, Michal","A novel amido‒pyrophosphate Mn^II^ chelate complex with the synthetic ligand O{P(O)[NHC(CH~3~)~3~]~2~}~2~ (<i>L</i>): [Mn(<i>L</i>)~2~{OC(H)N(CH~3~)~2~}~2~]Cl~2~·2H~2~O","Acta Crystallographica Section C","2013","69","3","225","228","10.1107/S0108270113000814","","","1.5418","CuKα","","0.0278","0.027","","","0.0849","0.0856","","","","","","1.71","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018817","10.548","0.002","18.669","0.004","24.795","0.006","90","","92.687","0.005","90","","4877.3","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tetraaquadi-μ~4~-citrato-tetrakis(2,6-diaminopurine)tetracobalt(II)] 6.35-hydrate]","","- C32 H52.68 Co4 N24 O24.35 -","- C32 H46 Co4 N24 O24.33 -","- C128 H184 Co16 N96 O97.32 -","4","0.5","FN3122","Atria, Ana María; Parada, José; Garland, Maria Teresa; Baggio, Ricardo","A polymeric cobalt(II) complex derived from citric acid (H~4~cit) and 2,6-diaminopurine (dap): {[Co~4~(cit)~2~(dap)~4~(H~2~O)~4~]·6.35H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2013","69","3","212","215","10.1107/S0108270113002230","","","0.71073","MoKα","","0.0657","0.0591","","","0.1196","0.1218","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018818","8.1032","0.0003","10.0065","0.0003","8.8704","0.0004","90","","90.609","0.004","90","","719.21","0.05","294.42","0.1","294.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3',5'-diacetyl-O^2^,2-cyclouridine","2,2'-Anhydro-1-(2'-deoxy-3',5'-di-<i>O</i>-acety-β-<i>D</i>- arabinofuranosyl)uracil","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","FN3123","Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan","2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation","Acta Crystallographica Section C","2013","69","3","282","284","10.1107/S0108270113000395","","","0.7107","MoKα","","0.0468","0.0394","","","0.083","0.0913","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018819","29.8145","0.0005","29.8145","0.0005","10.2028","0.0002","90","","90","","120","","7854.3","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","(±)-<i>exo</i>,<i>syn</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>SR</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C378 H396 Br18 N18 O36 -","18","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0435","0.0331","","","0.077","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018820","5.96905","0.00004","14.7659","0.00009","20.76083","0.00013","90","","90","","90","","1829.83","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-<i>exo</i>,<i>anti</i>-(1<i>R</i>,2<i>S</i>,5<i>S</i>)-8-Benzyl- 2-[(<i>R</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0363","0.0328","","","0.0782","0.08","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018821","9.0968","0.0004","32.068","0.0018","6.1711","0.0004","90","","90","","90","","1800.21","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>exo</i>,<i>anti</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>RS</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0365","0.0312","","","0.0648","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018822","6.9532","0.0004","8.4323","0.0005","11.9669","0.0007","94.706","0.001","91.257","0.001","110.892","0.001","652.31","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(1<i>R</i><i>S</i>,3<i>R</i><i>S</i>,4<i>R</i><i>S</i>,10<i>S</i><i>R</i>)-2,2,3,10-Tetrabromo-1,2,3,4-tetrahydro-1,4-ethanonaphthalene","","- C12 H10 Br4 -","- C12 H10 Br4 -","- C24 H20 Br8 -","2","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0245","0.0219","","","0.0541","0.0552","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018823","9.52","0.003","6.5032","0.0018","17.124","0.005","90","","100.826","0.003","90","","1041.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,3-Dibromobenzobarrelene","(1<i>S</i><i>R</i>,4<i>R</i><i>S</i>)-2,3-dibromo-1,4-ethenonaphthalene","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0243","0.0195","","","0.0471","0.0489","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018824","9.0919","0.0009","6.0956","0.0006","8.9673","0.0009","90","","114.986","0.004","90","","450.46","0.08","220","","220","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C20 H28 -","2","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0993","0.0706","","","0.2391","0.2771","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018825","13.556","0.003","15.931","0.003","7.7562","0.0016","90","","90","","90","","1675","0.6","120","","120","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,2-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C80 H112 -","8","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0353","0.0351","","","0.0896","0.0906","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018826","5.6138","0.0005","14.97","0.001","8.0481","0.001","90","","102.18","0.02","90","","661.13","0.12","160","2","160","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","ethyl benzene","Ethylbenzene","","- C8 H10 -","- C8 H10 -","- C32 H40 -","4","1","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","Mo-Kα","","0.0453","0.0382","","","0.1094","0.1168","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018827","6.8035","0.0014","21.209","0.004","9.0101","0.0018","90","","92.64","0.03","90","","1298.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","","- C12 H30 Cd3 Cl8 N4 O2 -","- C12 H30 Cd3 Cl8 N4 O2 -","- C24 H60 Cd6 Cl16 N8 O4 -","2","0.5","KY3023","Zhou, Qin-Qin; Jin, Lei; Liao, Wei-Qiang; Zhang, Yi","A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","Acta Crystallographica Section C","2013","69","3","237","240","10.1107/S0108270113003892","","","0.71073","MoKα","","0.0331","0.0287","","","0.0628","0.0644","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018828","13.5444","0.0014","11.9489","0.0013","18.518","0.002","90","","105.826","0.001","90","","2883.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","","- C30 H30 Cd N2 O9 S -","- C30 H30 Cd N2 O9 S -","- C120 H120 Cd4 N8 O36 S4 -","4","1","QS3020","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan; Tan, Chun-Yun","A one-dimensional coordination polymer with a three-dimensional supramolecular framework: <i>catena</i>-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","Acta Crystallographica Section C","2013","69","3","241","243","10.1107/S0108270113001352","","","0.71073","MoKα","","0.067","0.0406","","","0.0866","0.1105","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018829","13.365","0.005","5.714","0.003","15.357","0.003","90","","102.98","0.03","90","","1142.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[diaqua(4-hydroxybenzohydrazide)zinc(II)]-μ-sulfato]","","- C7 H12 N2 O8 S Zn -","- C7 H12 N2 O8 S Zn -","- C28 H48 N8 O32 S4 Zn4 -","4","1","QS3021","Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej","A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions","Acta Crystallographica Section C","2013","69","3","229","231","10.1107/S0108270113002758","","","0.71073","MoKα","","0.0343","0.026","","","0.0667","0.0684","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018830","14.4952","0.0015","16.5419","0.0019","7.9715","0.0008","90","","90.858","0.015","90","","1911.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.6942","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018831","9.791","0.0011","18.2689","0.0019","10.5687","0.0012","90","","103.225","0.017","90","","1840.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","2.552","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018832","12.809","0.006","4.541","0.002","18.788","0.009","90","","97.621","0.007","90","","1083.2","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[μ~2~-1,3-bis(2-methylimidazol-1-yl)propane]di-μ~4~-iodido-di-μ~3~-iodido-silver(I)]","","- C11 H16 Ag4 I4 N4 -","- C11 H16 Ag4 I4 N4 -","- C22 H32 Ag8 I8 N8 -","2","0.5","SF3192","Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif","Acta Crystallographica Section C","2013","69","3","216","218","10.1107/S0108270113002916","","","0.71073","MoKα","","0.0924","0.0564","","","0.1265","0.141","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018833","8.597","0.003","18.023","0.004","15.852","0.004","90","","90","","90","","2456.2","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dimethyl (3-{[<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}propyl)phosphonate","","- C21 H32 N3 O7 P -","- C21 H32 N3 O7 P -","- C84 H128 N12 O28 P4 -","4","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0758","0.067","","","0.1229","0.1259","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018834","10.131","0.004","12.866","0.005","13.368","0.005","68.9","0.04","75.94","0.04","84.11","0.04","1576.7","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Diethyl (4-{[<i>tert</i>-butoxycarbonylglycyl-\ α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}butyl)phosphonate propan-2-ol monosolvate 0.122-hydrate","","- C27 H46.24 N3 O8.12 P -","- C26.9999 H46.244 N3 O8.122 P -","- C53.9998 H92.488 N6 O16.244 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.097","0.0454","","","0.0835","0.0905","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018835","10.047","0.003","12.667","0.004","13.499","0.004","69.16","0.04","76.54","0.04","83.89","0.04","1560.9","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)- dehydrophenylalanyl-1̆-aminobutyl)phosphonic acid diethyl ester ethanol water solvate","","- C26 H44.16 N3 O8.08 P -","- C26 H44.152 N3 O8.076 P -","- C52 H88.304 N6 O16.152 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0701","0.0442","","","0.1223","0.1305","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018836","32.35","0.003","9.9963","0.0003","20.8851","0.0016","90","","128.423","0.013","90","","5291.2","1.2","99.9","0.3","99.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","","- C28 H25 Cl2 N2 P Pd -","- C28 H25 Cl2 N2 P Pd -","- C224 H200 Cl16 N16 P8 Pd8 -","8","1","SK3474","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2013","69","3","209","211","10.1107/S0108270113002333","","","0.71073","MoKα","","0.0388","0.032","","","0.0713","0.0752","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018837","11.5273","0.0009","13.4634","0.001","8.3956","0.0006","90","","90","","90","","1302.97","0.17","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-Cyclohexyl-2-(methylsulfanyl)nicotinamide","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0245","0.0238","","","0.063","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018838","11.42","0.02","8.58","0.019","23.61","0.05","90","","94.15","0.03","90","","2307","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Isopropyl-2-(methylsulfanyl)nicotinamide","","- C10 H14 N2 O S -","- C10 H14 N2 O S -","- C80 H112 N16 O8 S8 -","8","2","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.6889","synchrotron","","0.1864","0.1194","","","0.2995","0.3657","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018839","7.194","0.002","7.285","0.003","22.388","0.008","90","","90.341","0.005","90","","1173.3","0.7","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Hydroxyethyl)-2-(methylsulfanyl)nicotinamide dihydrate","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C36 H64 N8 O16 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0283","0.0269","","","0.0701","0.0711","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018840","8.071","0.0003","13.0867","0.0005","15.2422","0.0007","81.885","0.002","81.742","0.003","79.87","0.002","1557.26","0.11","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κ<i>N</i>^2^]cadmium(II) hexaiodidodicadmate(II)","","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0446","0.0292","","","0.0557","0.0611","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018841","5.9018","0.0006","7.6619","0.0009","9.2433","0.001","88.98","0.012","75.434","0.011","87.049","0.012","404","0.08","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ^2^<i>N</i>^2^:<i>N</i>^2'^]bis(μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)cadmium(II)]","","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0193","0.0185","","","0.048","0.0483","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018842","11.865","0.0003","12.242","0.0003","14.7287","0.0003","68.075","0.001","81.665","0.001","80.437","0.001","1948.99","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","2","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0921","0.0535","","","","0.1516","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018843","8.4506","0.0002","20.1587","0.0006","14.212","0.0003","90","","119.098","0.002","90","","2115.49","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Ethoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0701","0.0489","","","","0.1432","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018844","8.0981","0.001","12.2931","0.0016","14.6297","0.0019","78.157","0.001","80.994","0.001","74.005","0.001","1362.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C30 H26 Cd N2 O7 S -","- C30 H26 Cd N2 O7 S -","- C60 H52 Cd2 N4 O14 S2 -","2","1","WQ3024","Tao, Jian-Qing","A one-dimensional coordination polymer based on Cd~2~O~2~ clusters: poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","2013","69","3","244","246","10.1107/S0108270113001716","","","0.71073","MoKα","","0.0295","0.0258","","","0.0633","0.0648","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018845","8.8247","0.0012","12.0858","0.0017","10.9511","0.0015","90","","102.51","0.002","90","","1140.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(2-Hydroxyethyl)acridin-9(10<i>H</i>)-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0802","0.0426","","","0.0914","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018846","9.3632","0.0016","16.449","0.003","8.0359","0.0014","90","","92.151","0.002","90","","1236.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(2-Chloroethyl)acridin-9(10<i>H</i>)-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0592","0.0463","","","0.1194","0.1293","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018847","7.0387","0.0003","11.5605","0.001","18.1951","0.0017","90","","90","","90","","1480.6","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]-azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1166","0.0372","","","0.0672","0.0834","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018848","16.165","0.002","5.2505","0.0003","20.041","0.0019","90","","118.813","0.009","90","","1490.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-2-(5-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-naphtho[1,2-<i>b</i>]azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1183","0.0572","","","0.1243","0.156","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018849","15.316","0.002","9.923","0.0018","20.225","0.003","90","","90","","90","","3073.8","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>2RS</i>,4<i>SR</i>)-2-(5-bromothiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C18 H14 Br N O S -","- C18 H14 Br N O S -","- C144 H112 Br8 N8 O8 S8 -","8","2","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.0616","0.0376","","","0.0689","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","208744","2020-10-21","18:00:00",""
"2018850","6.2335","0.0006","8.9651","0.0008","24.747","0.002","90","","90","","90","","1383","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-4-(5-Ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0232","0.0229","","","0.0592","0.0598","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018851","12.3617","0.0007","8.3063","0.0005","14.1054","0.0008","90","","104.114","0.002","90","","1404.62","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-4-(5-<i>tert</i>-Butyl-2-hydroxyanilino)pent-3-en-2-one","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0412","0.0379","","","0.0975","0.1001","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018852","7.127","","7.127","","7.127","","90","","90","","90","","362.01","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","Silver yttrium copper (0.75/1.25/3)","","- Ag0.75 Cu3 Y1.25 -","- Ag0.75 Cu3 Y1.25 -","- Ag3 Cu12 Y5 -","4","0.166667","","Zeng Lingmin; Li Dexuan; Zhuang Yinghong","Structure of Ag3 Cu12 Y5, a new ternary compound","Acta Crystallographica C (39,1983-)","1993","49","","1559","1561","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018853","7.585","","6.997","","9.852","","90","","90","","90","","522.868","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag F2 As F5","","- Ag As F7 -","- Ag As F7 -","- Ag4 As4 F28 -","4","0.5","","Holloway, J.H.; Russell, D.R.; Frlec, B.; Gantar, D.","Structure of the 1:1 silver(II) fluoride - arsenic(V) fluoride adduct, AgF2*AsF5","Acta Crystallographica C (39,1983-)","1987","43","","618","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018854","7.43","0.001","8.272","0.002","8.768","0.003","98.96","0.02","108.02","0.02","94.56","0.02","501.5","0.2","","","","","","","","","","","","6","P 1","P 1","1","","Inosinium tetrabromo-gold(iii) dihydrate","","- C10 H17 Au Br4 N4 O7 -","- C10 H17 Au Br4 N4 O7 -","- C10 H17 Au Br4 N4 O7 -","1","1","","Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; André L. Beauchamp","Structure of Inosinium Tetrabromoaurate(III) Dihydrate","Acta Crystallographica, Section C","1989","45","","1874","1877","10.1107/S0108270189003586","","","","","","","0.045","","","","","","","","","","","","","","has coordinates","206342","2020-10-21","18:00:00",""
"2018855","5.667","","14.202","","5.232","","90","","90","","90","","421.086","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ag Te O2 N O3","","- Ag N O5 Te -","- Ag N O5 Te -","- Ag4 N4 O20 Te4 -","4","0.5","","Kazikowski, S.; Olsson, C.; Johansson, L.G.","Structure of silver telluryl nitrate Ag Te O2 N O3.","Acta Crystallographica C (39,1983-)","1988","44","","427","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018856","12.502","","7.599","","6.0696","","90","","90","","90","","576.628","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Zn Ag P S4","","- Ag P S4 Zn -","- Ag P S4 Zn -","- Ag4 P4 S16 Zn4 -","4","1","","Rouland, J.C.; Rodier, N.; Toffoli, P.; Khodadad, P.","Structure du Tetrathiophosphate(V) de Zinc et d'Argent, Zn Ag P S4","Acta Crystallographica C (39,1983-)","1985","41","","645","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018857","7.518","","12.809","","5.904","","90","","92.25","","90","","568.105","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb Ag Sb S3","","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Fan, H.-F.; Woolfson, M.M.; Main, P.; Yao, J.-X.","On the Application of Phase Relationships to Complex Structures. XXIII. Automatic Determination of Crystal Structures having Pseudo-Translational Symmetry by a Modified MULTAN Procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018858","10.166","","7.575","","8.479","","90","","91.27","","90","","652.786","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag2 Li (N O2)3","","- Ag2 Li N3 O6 -","- Ag2 Li N3 O6 -","- Ag8 Li4 N12 O24 -","4","0.5","","Ishihara, M.; Saito, Y.; Matsumoto, F.; Ohba, S.","Structures of mercury(I) nitrite and lithium disilver trinitrite","Acta Crystallographica C (39,1983-)","1986","42","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018859","11.24","","12.278","","12.955","","90","","90","","90","","1787.85","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag2 (Al4 Cl10 O2)","","- Ag2 Al4 Cl10 O2 -","- Ag2 Al4 Cl10 O2 -","- Ag8 Al16 Cl40 O8 -","4","0.5","","Jentsch, D.; Schwarzmann, E.; Sheldrick, G.M.; Jones, P.G.","Disilver(I) Decachlorodioxotetraaluminate(III), Ag2 (Al4 Cl10 O2)","Acta Crystallographica C (39,1983-)","1983","39","","1173","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018860","13.901","","11.073","","6.303","","90","","90","","90","","970.194","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag4 P2 S6 -","- Ag4 P2 S6 -","- Ag16 P8 S24 -","4","1","","Toffoli, P.; Rodier, N.; Khodadad, P.","Structure d'une Deuxieme Variete d'Hexathiodiphosphate(IV) d'Argent, Ag4 P2 S6. Comparaison des Structures des Deux Varietes","Acta Crystallographica C (39,1983-)","1983","39","","1485","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2018861","5.148","","7.05","","10.54","","73.09","","89.08","","88.5","","365.853","","","","","","","","","","","","","5","P -1","-P 1","2","","Ag5 Cu2 (N O3) (Se O3)4","","- Ag5 Cu2 N O15 Se4 -","- Ag5 Cu2 N O15 Se4 -","- Ag5 Cu2 N O15 Se4 -","1","0.5","","Effenberger, H.","Structure of pentasilver(I) dicopper(II) mononitrate tetraselenite(IV)","Acta Crystallographica C (39,1983-)","1991","47","","2522","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018862","11.37","","11.01","","14.091","","90","","90","","90","","1763.96","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K4 Ag3 (N O2)7","","- Ag3 K4 N7 O14 -","- Ag3 K4 N7 O14 -","- Ag12 K16 N28 O56 -","4","0.5","","Saito, Y.; Ohba, S.; Ishihara, M.; Okamura, Y.","Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate","Acta Crystallographica C (39,1983-)","1989","45","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018863","5.34","","11.997","","10.16","","90","","99.51","","90","","641.945","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(S5 N5) (Au Cl4)","","- Au Cl4 N5 S5 -","- Au Cl4 N5 S5 -","- Au2 Cl8 N10 S10 -","2","0.5","","Dehnicke, K.; Ruangsuttinarupap, S.; Willing, W.; Mueller, U.","Cyclopentaazathienium-tetrachloroaurat","Acta Crystallographica C (39,1983-)","1986","42","","1263","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018864","11.277","","11.234","","20.584","","90","","104.58","","90","","2523.73","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na (Au Cl4)","","- Au Cl4 Na -","- Au Cl4 Na -","- Au16 Cl64 Na16 -","16","4","","Hohbein, R.; Jones, P.G.; Schwarzmann, E.","Anhydrous sodium tetrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1988","44","","1164","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018865","12.298","","5.825","","9.681","","90","","102.09","","90","","678.125","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tl Au Cl4","","- Au Cl4 Tl -","- Au Cl4 Tl -","- Au4 Cl16 Tl4 -","4","0.5","","Schelbach, R.; Jones, P.G.; Schwarzmann, E.","Thallium(I) Tetrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1987","43","","1674","1675","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018866","8.637","","10.24","","11.618","","90","","107.88","","90","","977.901","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(S Cl3) (Au Cl4)","","- Au Cl7 S -","- Au Cl7 S -","- Au4 Cl28 S4 -","4","1","","Jentsch, D.; Jones, P.G.; Schwarzmann, E.","Trichlorosulfonium(IV) Tetrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1988","44","","210","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018867","8.484","","10.184","","12.135","","90","","108.37","","90","","995.048","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Se Cl3 Au Cl4","","- Au Cl7 Se -","- Au Cl7 Se -","- Au4 Cl28 Se4 -","4","1","","Schelbach, R.; Jones, P.G.; Schwarzmann, E.","Trichloroselenonium(IV) tatrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1987","43","","607","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018868","15.734","","12.433","","11.646","","90","","90","","90","","2278.2","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","(P Cl4) (Au Cl4)","","- Au Cl8 P -","- Au Cl8 P -","- Au8 Cl64 P8 -","8","0.5","","Schelbach, R.; Jones, P.G.; Sheldrick, G.M.; Erdbruegger, C.F.; Schwarzmann, E.","Tetrachlorophosphonium(V) tetrachloroaurate(III)","Acta Crystallographica C (39,1983-)","1987","43","","1857","1859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018869","5.623","","5.623","","9.791","","90","","90","","120","","268.098","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Au2 K -","- Au2 K -","- Au8 K4 -","4","0.166667","","Klement, U.; Range, K.J.; Rau, F.","Potassium digold. K Au2","Acta Crystallographica C (39,1983-)","1988","44","","1485","1486","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2018870","12.221","","9.199","","2.996","","90","","90","","90","","336.813","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Ni5 Ti O4 (B O3)2","","- B2 Ni5 O10 Ti -","- B2 Ni5 O10 Ti -","- B4 Ni10 O20 Ti2 -","2","0.25","","Lager, G.A.; Armbruster, T.","Structure of Pentanickel Titanium Diboron Oxide, Ni5 Ti B2 O10","Acta Crystallographica C (39,1983-)","1985","41","","1400","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018871","7.116","","4.993","","6.508","","90","","105.62","","90","","222.691","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi B3 O6","","- B3 Bi O6 -","- B3 Bi O6 -","- B6 Bi2 O12 -","2","0.5","","Liebertz, J.; Froehlich, R.; Bohaty, L.","Die Kristallstruktur von Wismutborat, Bi B3 O6","Acta Crystallographica C (39,1983-)","1984","40","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018872","8.129","","16.051","","3.539","","90","","100.94","","90","","453.372","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca5 F (B O3)3","","- B3 Ca5 F O9 -","- B3 Ca5 F O9 -","- B6 Ca10 F2 O18 -","2","0.5","","Huang, Q.; Zheng, Y.; Lei, S.; Chen, C.; Jiang, A.","Structure of calcium fluoroborate, Ca5 (B O3)3 F","Acta Crystallographica C (39,1983-)","1989","45","","1861","1863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018873","7.021","","17.218","","10.952","","90","","90","","90","","1323.96","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pb4 O (Pb2 (B O3)3 Cl)","","- B3 Cl O10 Pb6 -","- B3 Cl O10 Pb6 -","- B12 Cl4 O40 Pb24 -","4","0.5","","Behm, H.","Hexalead Chloride Triorthoborate Oxide, Pb4 O (Pb2 (B O3)3 Cl)","Acta Crystallographica C (39,1983-)","1983","39","","1317","1319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018874","13.635","","7.66","","14.112","","90","","119.71","","90","","1280.16","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Sn5 F9) (B F4)","","- B F13 Sn5 -","- B F13 Sn5 -","- B4 F52 Sn20 -","4","1","","Boenisch, J.; Bergerhoff, G.","Phyllo-Nonafluoropentazinn(II)-tetrafluoroborat, (Sn5 F9) (B F4)","Acta Crystallographica C (39,1983-)","1984","40","","2005","2006","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018875","18.97","","18.97","","12.414","","90","","90","","120","","3868.81","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (B W12 O40) (H2 O)16","","- B K4.99 O50.01 W12 -","- B K4.99 O50.01 W12 -","- B3 K14.97 O150.03 W36 -","3","0.25","","Craig, D.C.; Allen, C.C.; Fletcher, H.; Burns, R.C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica C (39,1983-)","2001","57","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018876","4.748","","4.748","","15.262","","90","","90","","120","","297.964","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sc B O3","","- B O3 Sc -","- B O3 Sc -","- B6 O18 Sc6 -","6","0.166667","","Sun, H.; Keszler, D.A.","Structure of Sc B O3","Acta Crystallographica C (39,1983-)","1988","44","","1505","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018877","12.024","0.006","26.45","0.01","12.543","0.004","90","","94.74","0.03","90","","3975.47","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K6 (U O2 (B16 O24 (O H)8)) (H2 O)12","","- B16 K6 O44 U -","- B16 H28 K6 O44 U -","- B64 H112 K24 O176 U4 -","4","1","","Behm, H.","Hexpotassium(cyclo-Octahydroxotetracosaoxohexadecaborato)diox uranate(VI) Dodecahyrate, K6 (U O2 (B16 O24 (O H)8)) (H2 O)12","Acta Crystallographica C (39,1983-)","1985","41","5","642","645","10.1107/S0108270185004942","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","189249","2020-10-21","18:00:00",""
"2018878","8.5614","","8.5657","","12.1196","","90","","90","","90","","888.783","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Co3 (B7 O13) Br","","- B7 Br Co3 O13 -","- B7 Br Co3 O13 -","- B28 Br4 Co12 O52 -","4","1","","Schmid, H.; Kubel, F.; Mao, S.Y.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl","Acta Crystallographica C (39,1983-)","1992","48","","1167","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018879","8.6231","","8.6231","","21.05029","","90","","90","","120","","1355.55","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Fe3 (Cl B7 O13)","","- B7 Cl Fe3 O13 -","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","6","0.333333","","Yvon, K.; Mendoza-Alvarez, M.E.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine Boracite","Acta Crystallographica C (39,1983-)","1985","41","","1551","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018880","8.5105","","8.4984","","12.0324","","90","","90","","90","","870.251","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ni3 (B7 O13 Cl)","","- B7 Cl Ni3 O13 -","- B7 Cl Ni3 O13 -","- B28 Cl4 Ni12 O52 -","4","1","","Kubel, F.; Mao, S.Y.; Schmid, H.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3 B7 O13 Br and nickel chlorine boracite, Ni3 B7 O13 Cl","Acta Crystallographica C (39,1983-)","1992","48","","1167","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018881","12.214","","12.214","","12.214","","90","","90","","90","","1822.11","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 I)","","- B7 Cr3 I O13 -","- B7 Cr3 I O13 -","- B56 Cr24 I8 O104 -","8","0.0833333","","Schmid, H.; Berset, G.; Monnier, A.","Cubic structure of chromium iodine borazite","Acta Crystallographica C (39,1983-)","1987","43","","1243","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018882","12.0203","","12.0203","","12.0203","","90","","90","","90","","1736.78","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 I)","","- B7 Cu3 I O13 -","- B7 Cu3 I O13 -","- B56 Cu24 I8 O104 -","8","0.0833333","","Depmeier, W.; Berset, G.; Schmid, H.; Boutellier, R.","Structure of boracite Cu3 B7 O13 I","Acta Crystallographica C (39,1983-)","1985","41","","1694","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018883","7.461","","7.461","","14.804","","90","","90","","90","","824.087","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Er Rh4 B4","","- B4 Er Rh4 -","- B4 Er Rh4 -","- B32 Er8 Rh32 -","8","0.25","","Muto, Y.; Iwasaki, H.; Watanabe, Y.","Structure of the body-centered tetragonal ErRh4B4","Acta Crystallographica C (39,1983-)","1986","42","","1469","1472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018884","5.292","","5.292","","7.379","","90","","90","","90","","206.651","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","Er Rh4 B4","","- B4 Er Rh4 -","- B4 Er Rh4 -","- B8 Er2 Rh8 -","2","0.125","","Takei, H.; Iwasaki, H.; Watanabe, Y.","Structure of the Primitive Tetragonal Er Rh4 B4","Acta Crystallographica C (39,1983-)","1984","40","","1644","1646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018886","12.925","0.003","10.175","0.002","17.334","0.004","90","","104.804","0.004","90","","2204","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[chlorido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Cl N3 O2 Zn -","- C26 H18 Cl N3 O2 Zn -","- C104 H72 Cl4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.1468","0.0663","","","0.0779","0.0935","","","","","","0.873","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018887","13.046","0.004","10.276","0.003","17.437","0.005","90","","105.568","0.005","90","","2251.9","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bromido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Br N3 O2 Zn -","- C26 H18 Br N3 O2 Zn -","- C104 H72 Br4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0981","0.0446","","","0.0706","0.0808","","","","","","0.816","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018888","13.212","0.008","10.48","0.006","17.535","0.01","90","","107.148","0.009","90","","2320","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[iodido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 I N3 O2 Zn -","- C26 H18 I N3 O2 Zn -","- C104 H72 I4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0902","0.0492","","","0.1005","0.1124","","","","","","0.896","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018889","17.0178","0.0004","17.0178","0.0004","17.0178","0.0004","90","","90","","90","","4928.4","0.2","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba15.1 Ga31 K0.9 Sn105 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0285","0.0254","","","0.0961","0.0973","","","","","","1.349","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018890","17.0709","0.0006","17.0709","0.0006","17.0709","0.0006","90","","90","","90","","4974.7","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba11.7 Ga27.4 K4.3 Sn108.6 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0272","0.0256","","","0.0925","0.0934","","","","","","1.335","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018891","17.1946","0.0008","17.1946","0.0008","17.1946","0.0008","90","","90","","90","","5083.7","0.4","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallum tin","","- Ba3.1 Ga19.5 K12.9 Sn116.5 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0306","0.0285","","","0.1003","0.1014","","","","","","1.339","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018892","11.9447","0.0004","11.9447","0.0004","11.9447","0.0004","90","","90","","90","","1704.22","0.1","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Potassium barium gallium tin","","- Ba0.3 Ga8.5 K7.7 Sn37.5 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","1","0.0208333","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0243","0.0193","","","0.042","0.0438","","","","","","1.169","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018893","10.151","0.003","13.063","0.004","16.297","0.005","81.37","0.02","74.2","0.03","85.95","0.04","2054.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-ethoxyphenolato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^-bis[(2-ethoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)zinc(II)] toluene hemisolvate","","- C45.5 H50 N2 O8 Zn2 -","- C45.5 H50 N2 O8 Zn2 -","- C91 H100 N4 O16 Zn4 -","2","1","BI3055","Petrus, Rafał; Sobota, Piotr","A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol)","Acta Crystallographica Section C","2013","69","4","372","375","10.1107/S0108270113006537","","","0.71073","MoKα","","0.0408","0.0295","","","0.0716","0.0741","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018894","10.1805","0.0002","14.5849","0.0004","10.3843","0.0002","90","","100.404","0.001","90","","1516.53","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Phenoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C64 H84 Cl4 N8 O8 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.054","0.0371","","0.0599","0.0439","0.0419","","","","","","1.0459","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018895","6.6506","0.0004","15.5432","0.001","13.2041","0.001","90","","90.237","0.005","90","","1364.92","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Methcarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride monohydrate","","- C11 H21 Cl N2 O3 -","- C11 H21 Cl N2 O3 -","- C44 H84 Cl4 N8 O12 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.0622","0.0452","","0.0766","0.0499","0.0467","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018896","11.2397","0.0008","16.7124","0.0013","8.6528","0.0006","90","","96.15","0.001","90","","1616","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Frovatriptan acetate","(±)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium acetate","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.069","0.0495","","","0.1101","0.1203","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018897","10.6206","0.0006","7.9939","0.0005","22.3916","0.0013","90","","92.884","0.001","90","","1898.64","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Frovatriptan succinate monohydrate","(<i>R</i>)-(+)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium 3-carboxypropanoate monohydrate","","- C18 H25 N3 O6 -","- C18 H25 N3 O6 -","- C72 H100 N12 O24 -","4","2","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0745","0.0659","","","0.1524","0.1573","","","","","","1.141","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018898","8.7239","0.0011","18.662","0.002","10.127","0.0013","90","","96.098","0.002","90","","1639.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(frovatriptan) succinate trihydrate","Bis[(<i>R</i>)-(+)-6-carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium] succinate trihydrate","","- C32 H46 N6 O9 -","- C32 H46 N6 O9 -","- C64 H92 N12 O18 -","2","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0441","0.041","","","0.0996","0.1018","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018899","10.029","0.007","15.242","0.005","17.922","0.005","90","","93.5","0.05","90","","2734","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium","","- C34 H21 O3 P Ru -","- C34 H21 O3 P Ru -","- C136 H84 O12 P4 Ru4 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.1144","0.0647","","","0.0709","0.0807","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018900","9.3325","0.0013","13.96","0.002","17.865","0.003","90","","103.771","0.013","90","","2260.6","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","","- C22 H8 O9 Os3 -","- C22 H8 O9 Os3 -","- C88 H32 O36 Os12 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.0765","0.0437","","","0.0802","0.0903","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018901","11.357","0.003","12.588","0.003","19.254","0.005","84.268","0.012","77.257","0.012","66.283","0.01","2457.9","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Poly[[decaaquabis[μ~3~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]bis[μ~2~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]tetracopper(II)dineodymium(III)] bis{[2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]cuprate(II)} tetradecahydrate]","","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C66 H96 Br6 Cu6 N12 Nd2 O48 -","2","1","EG3114","Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li","Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine","Acta Crystallographica Section C","2013","69","4","376","379","10.1107/S0108270113006367","","","0.71073","MoKα","","0.1019","0.0606","","","0.1368","0.1585","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018902","9.1323","0.0002","8.9812","0.0002","27.1824","0.0006","90","","90","","90","","2229.47","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(±)-amphetamine gold(III) dichloride","[<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III)","","- C9 H12 Au Cl2 N -","- C9 H12 Au Cl2 N -","- C72 H96 Au8 Cl16 N8 -","8","1","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.042","0.042","","","0.102","0.102","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018903","7.3561","0.0001","14.2394","0.0002","13.9103","0.0002","90","","90.077","0.001","90","","1457.05","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-methamphetamine tetrachloaurate(III)","<i>D</i>-Methyl(1-phenylpropan-2-yl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N -","- C10 H16 Au Cl4 N -","- C40 H64 Au4 Cl16 N4 -","4","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.029","0.029","","","0.071","0.071","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018904","7.7537","0.0004","25.0264","0.0013","15.4587","0.0008","90","","93.92","0.002","90","","2992.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-ephedrine tetrachloaurate(III)","<i>D</i>,<i>L</i>-(1-Hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N O -","- C10 H16 Au Cl4 N O -","- C80 H128 Au8 Cl32 N8 O8 -","8","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.046","0.04","","","0.091","0.094","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018905","16.2247","0.0019","16.2247","0.0019","7.6586","0.0008","90","","90","","90","","2016.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Bromo-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.0363","0.0323","","","0.0754","0.0776","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018906","5.0922","0.0012","7.3347","0.0015","13.942","0.003","97.657","0.012","100.072","0.011","90.862","0.012","507.74","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-7,8-dimethyl-5-nitrochroman-2-one","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.1133","0.0755","","","0.1748","0.2044","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018907","6.7283","0.0013","6.7839","0.0014","17.332","0.004","88.181","0.013","89.349","0.014","62.515","0.012","701.5","0.3","5","2","5","2","","","","","","","","4","P -1","-P 1","2","magnesium sulfate undecahydrate","Hexaaquamagnesium(II) sulfate pentahydrate","","- H22 Mg O15 S -","- H22 Mg O15 S -","- H44 Mg2 O30 S2 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.0668","0.0668","","","0.1868","0.1868","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018908","6.7721","0.0018","6.917","0.002","17.41","0.005","88.21","0.02","89.43","0.02","62.768","0.018","724.8","0.4","10","2","10","2","","","","","","","","4","P -1","-P 1","2","magnesium chromate undecahydrate","Hexaaquamagnesium(II) chromate pentahydrate","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.083","0.083","","","0.2236","0.2236","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018909","9.5819","0.0002","6.78424","0.00014","11.7152","0.0003","90","","90","","90","","761.56","0.03","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.77-perhydrate 0.23-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.77 -","- C5 H13 N O3.767 -","- C20 H52 N4 O15.068 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0404","0.0338","","","0.0766","0.0808","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018910","9.4916","0.00015","6.7062","0.00011","11.5975","0.0002","90","","90","","90","","738.21","0.02","100","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.76-perhydrate 0.24-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.76 -","- C5 H13 N O3.762 -","- C20 H52 N4 O15.048 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0651","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018911","12.0729","0.001","29.176","0.002","11.8511","0.0009","90","","94.417","0.001","90","","4162","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0829","0.0535","","","0.152","0.1672","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018912","11.9559","0.0009","29.079","0.002","11.6918","0.0009","90","","94.207","0.001","90","","4053.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0535","0.0453","","","0.1214","0.1266","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018913","7.5555","0.0001","21.9603","0.0005","9.8497","0.0002","90","","105.259","0.0009","90","","1576.66","0.05","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylformamide disolvate]","","- C30 H32 Cu N6 O10 -","- C30 H32 Cu N6 O10 -","- C60 H64 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.082","0.0534","","","0.1386","0.1552","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018914","7.7557","0.0002","21.9826","0.0004","9.816","0.0003","90","","102.92","0.0009","90","","1631.17","0.07","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylacetamide disolvate]","","- C32 H36 Cu N6 O10 -","- C32 H36 Cu N6 O10 -","- C64 H72 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.0786","0.0485","","","0.1161","0.1294","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018915","15.3648","0.0004","7.3374","0.0002","26.7111","0.0006","90","","93.919","0.001","90","","3004.31","0.13","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","","- C7 H13 Cl3 N4 S2 Zn -","- C7 H13 Cl3 N4 S2 Zn -","- C56 H104 Cl24 N32 S16 Zn8 -","8","1","KY3022","Fu, Wei-Wei; Chen, Man-Sheng; Liu, Yang; Zhang, Fu-Xing","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","Acta Crystallographica Section C","2013","69","4","384","387","10.1107/S0108270113006380","","","0.71073","MoKα","","0.0161","0.0153","","","0.0396","0.0401","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018916","24.234","0.006","51.149","0.012","6.952","0.002","90","","90","","90","","8617","4","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine","","- C28 H24 Si -","- C28 H24 Si -","- C448 H384 Si16 -","16","1","KY3030","Clegg, William; Harrington, Ross W.; Mercier, Lauren G.; Piers, Warren E.","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine: a synchrotron study","Acta Crystallographica Section C","2013","69","4","436","438","10.1107/S0108270113005659","","","0.6889","synchrotron","","0.0344","0.0304","","","0.0723","0.0736","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018917","10.0371","0.0003","9.0733","0.0003","11.4901","0.0004","90","","102.12","0.003","90","","1023.07","0.06","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-amminedibromido(2-methylpyridine-κ<i>N</i>)platinum(II)","","- C6 H10 Br2 N2 Pt -","- C6 H10 Br2 N2 Pt -","- C24 H40 Br8 N8 Pt4 -","4","1","LN3155","Pažout, Richard; Maixner, Jaroslav; Hrdá, Michaela; Loužilová, Tereza; Kačer, Petr","A bromine analogue of picoplatin: a new substance from the group of platinum-based chemotherapeutics","Acta Crystallographica Section C","2013","69","4","337","339","10.1107/S0108270113004708","","","1.5418","CuKα","","0.0366","0.0303","","","0.0347","0.0357","","","","","","1.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018918","7.4946","0.0002","7.4946","0.0002","7.5457","0.0002","90","","90","","90","","423.83","0.02","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Lithium/ammonium perchlorate","","- Cl H2.35 Li0.41 N0.59 O4 -","- Cl H2.36 Li0.41 N0.59 O4 -","- Cl4 H9.44 Li1.64 N2.36 O16 -","4","0.25","OV3020","Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid","The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium","Acta Crystallographica Section C","2013","69","4","315","318","10.1107/S0108270113005684","","","0.71073","MoKα","","0.0378","0.0349","","","0.1343","0.1391","","","","","","1.327","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018919","12.0692","0.0015","12.7108","0.0017","12.882","0.002","90","","90","","90","","1976.2","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0421","0.0375","","","0.1061","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018920","12.0802","0.0019","12.763","0.0019","12.832","0.002","90","","90","","90","","1978.4","0.5","200","","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0469","0.0348","","","0.0831","0.0875","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018921","7.557","0.0016","12.223","0.003","12.681","0.003","111.615","0.003","92.294","0.004","101.13","0.004","1060.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","1","0.5","OV3024","Zhao, Ning","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","Acta Crystallographica Section C","2013","69","4","348","350","10.1107/S0108270113005118","","","0.71073","MoKα","","0.0381","0.0317","","","0.1015","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018922","15.6553","0.0002","9.0565","0.0001","8.5568","0.0001","90","","90.017","0.001","90","","1213.2","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium aluminium silicate","","- Al K O4 Si -","- Al K0.958167 O4 Si -","- Al12 K11.498 O48 Si12 -","12","6","QS3022","Kremenović, Aleksandar; Lazic, Biljana; Krüger, Hannes; Tribus, Martina; Vulić, Predrag","Monoclinic structure and nonstoichiometry of `KAlSiO~4~-<i>O1</i>'","Acta Crystallographica Section C","2013","69","4","334","336","10.1107/S0108270113006069","","","0.71073","MoKα","","0.0435","0.0398","","","0.0543","0.0552","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018923","14.8473","0.0005","7.7578","0.0003","21.8602","0.0007","90","","96.954","0.001","90","","2499.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-3,5-Bis[4-(diethylamino)benzylidene]-4-piperidone methanol monosolvate","","- C28 H39 N3 O2 -","- C28 H39 N3 O2 -","- C112 H156 N12 O8 -","4","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.053","0.0416","","","0.1029","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018924","11.1075","0.0015","12.965","0.0018","17.899","0.003","96.32","0.003","92.211","0.003","95.861","0.003","2545.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} butanedioate","","- C58 H76 N6 O6 -","- C58.002 H76 N6 O6 -","- C116.004 H152 N12 O12 -","2","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.1005","0.0666","","","0.1681","0.1846","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018925","8.2905","0.0008","12.7532","0.0013","14.0762","0.0014","87.076","0.002","77.516","0.002","78.66","0.002","1424.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} decanedioate","","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","1","0.5","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.07","0.0461","","","0.1089","0.1178","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018926","15.373","0.003","15.373","0.003","13.287","0.002","90","","90","","90","","3140.1","1","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Tetrakis[μ~3~-(pyridin-2-yl)methanolato]-<i>tetrahedro</i>-tetrakis[chloridolead(II)]","","- C24 H24 Cl4 N4 O4 Pb4 -","- C24 H24 Cl4 N4 O4 Pb4 -","- C96 H96 Cl16 N16 O16 Pb16 -","4","0.25","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0375","0.026","","","0.0572","0.0609","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018927","10.0543","0.0015","10.3292","0.0016","8.3716","0.0009","90","","91.388","0.002","90","","869.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-nitrato)[μ~2~-(pyridin-2-yl)methanolato]lead(II)]","","- C6 H6 N2 O4 Pb -","- C6 H6 N2 O4 Pb -","- C24 H24 N8 O16 Pb4 -","4","1","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0463","0.0366","","","0.0856","0.09","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018928","4.7783","0.0001","10.7727","0.0002","22.9128","0.0005","90","","90","","90","","1179.44","0.04","298","2","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1<i>H</i>-Imidazol-3-ium 1,4-dioxo-1,4-dihydronaphthalen-2-olate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","SF3193","Ribeiro, Marcos Antônio; Oliveira, Willian Xerxes Coelho; Stumpf, Humberto Osório; Pinheiro, Carlos Basílio","The structure of the 1<i>H</i>-imidazol-3-ium lawsonate salt aided by <i>ab initio</i> gas-phase calculations","Acta Crystallographica Section C","2013","69","4","403","406","10.1107/S0108270113005106","","","1.5418","CuKα","","0.0371","0.0347","","","0.085","0.0879","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018929","12.8286","0.0017","13.065","0.0019","13.8347","0.0019","90","","102.683","0.003","90","","2262.2","0.5","184.5","0.2","184.5","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","","- C26 H19 N3 O5 Zn -","- C26 H19 N3 O5 Zn -","- C104 H76 N12 O20 Zn4 -","4","1","SK3465","Wang, Guan-Hua; Lei, Yong-Qian","A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","Acta Crystallographica Section C","2013","69","4","360","362","10.1107/S0108270113005143","","","0.71073","MoKα","","0.1575","0.0849","","","0.1369","0.1618","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018930","9.6402","0.0007","9.9899","0.0007","10.7775","0.0007","78.834","0.001","82.856","0.001","89.704","0.001","1010.18","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","<i>mer</i>-μ-Oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","1","0.5","SK3477","Modec, Barbara","Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","Acta Crystallographica Section C","2013","69","4","340","343","10.1107/S010827011300499X","","","0.71073","MoKα","","0.0601","0.0377","","","0.0774","0.0844","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018931","11.8007","0.0003","11.7095","0.0003","13.6967","0.0003","90","","113.53","0.012","90","","1735.25","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate","","- C12 H22 N2 Ni O9 S -","- C12 H22 N2 Ni O9 S -","- C48 H88 N8 Ni4 O36 S4 -","4","1","SK3478","Suarez, Sebastián; Doctorovich, Fabio; Harvey, Miguel Angel; Baggio, Ricardo","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate: a simple molecule with an extremely complex hydrogen-bonding scheme","Acta Crystallographica Section C","2013","69","4","351","355","10.1107/S0108270113005088","","","0.71073","MoKα","","0.0281","0.0268","","","0.0738","0.075","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018932","10.0323","0.0004","10.3715","0.0005","11.7411","0.0005","109.211","0.002","96.105","0.002","95.676","0.002","1135.37","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[3-Methyl-4-(4-methylphenyl)-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C26 H18 F3 N3 O S -","- C26 H18 F3 N3 O S -","- C52 H36 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0683","0.0447","","","0.1104","0.1264","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018933","10.0018","0.0007","10.3503","0.0008","11.6309","0.001","108.607","0.004","95.295","0.004","95.628","0.004","1125.82","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","[4-(4-Chlorophenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C25 H15 Cl F3 N3 O S -","- C25 H15 Cl F3 N3 O S -","- C50 H30 Cl2 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0571","0.037","","","0.0868","0.0973","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018934","6.5975","0.0006","13.0254","0.001","13.3531","0.001","103.739","0.002","98.123","0.003","99.217","0.002","1080.86","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalene‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","Bi[5,6-dihydro-1,3-dithiolo[4,5-b][1,4]-dithiine-2-ylidene]‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","","- C18 H8 Cl2 N2 O2 S8 -","- C18 H8 Cl2 N2 O2 S8 -","- C36 H16 Cl4 N4 O4 S16 -","2","1","UK3064","Nakagawa, Yuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","The bis(ethylenedithio)tetrathiafulvalene-based ionic charge-transfer complex with 2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone","Acta Crystallographica Section C","2013","69","4","400","402","10.1107/S0108270113003685","","","0.71075","MoKα","","0.1005","0.0712","","","0.1706","0.1875","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018935","9.739","0.003","21.26","0.007","9.952","0.003","90","","103.851","0.003","90","","2000.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-{2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol-κ^2^<i>N</i>^2^:<i>N</i>^3^}] perchlorate monohydrate]","","- C19 H17 Ag Cl N3 O6 -","- C19 H17 Ag Cl N3 O6 -","- C76 H68 Ag4 Cl4 N12 O24 -","4","1","WQ3027","Hu, Dong-Cheng; Xiao, Chao-Hu; Guo, Guo-Zhe; Yang, Yun-Xia; Liu, Jia-Cheng","A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence","Acta Crystallographica Section C","2013","69","4","356","359","10.1107/S0108270113005817","","","0.71073","MoKα","","0.0512","0.0383","","","0.0902","0.0983","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018936","8.438","0.002","24.957","0.005","16.221","0.004","90","","93.914","0.016","90","","3408","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C168 H160 Br8 N8 O8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0662","0.0401","","","0.0678","0.0748","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018937","25.431","0.005","16.318","0.003","8.0193","0.0006","90","","104.021","0.01","90","","3228.7","0.9","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>RS</i>,4<i>SR</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C19 H19 N O S -","- C19 H19 N O S -","- C152 H152 N8 O8 S8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0623","0.048","","","0.0937","0.0994","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018938","10.039","0.002","14.652","0.003","13.976","0.004","90","","129.823","0.018","90","","1578.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","","- C12 H32 Cl12 Cu4 N4 O6 -","- C12 H32 Cl12 Cu4 N4 O6 -","- C24 H64 Cl24 Cu8 N8 O12 -","2","0.5","YP3024","Liao, Wei-Qiang; Zhou, Qin-Qin; Zhang, Yi","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","Acta Crystallographica Section C","2013","69","4","380","383","10.1107/S0108270113006719","","","0.71073","MoKα","","0.0539","0.0388","","","0.0783","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2018939","19.0469","0.0011","8.7313","0.0004","23.608","0.0015","90","","100.45","0.006","90","","3861","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","","- C41 H39 Cu N O9 P2 -","- C41 H39 Cu N O9 P2 -","- C164 H156 Cu4 N4 O36 P8 -","4","0.5","BG3156","Zhou, Mengbo; Song, Li; Niu, Feng; Shu, Kangying; Chai, Wenxiang","A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","Acta Crystallographica Section C","2013","69","5","463","466","10.1107/S0108270113008317","","","0.7107","MoKα","","0.0603","0.0403","","","0.085","0.092","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018940","16.4404","0.0005","21.0317","0.0006","9.8219","0.0003","90","","117.814","0.003","90","","3003.75","0.18","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C28 H24 Cl4 Cu N5 O2 P -","- C28 H24 Cl4 Cu N5 O2 P -","- C112 H96 Cl16 Cu4 N20 O8 P4 -","4","1","BG3157","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladymir; Shishkina, Svetlana","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2013","69","6","606","609","10.1107/S0108270113011943","","","0.71073","MoKα","","0.0607","0.0387","","","0.0889","0.1008","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018941","9.6679","0.0008","9.7024","0.0008","12.3648","0.001","90","","99.969","0.001","90","","1142.33","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) [tetra-μ~2~-thiocyanato-κ^4^<i>S</i>:<i>S</i>;κ^4^<i>S</i>:<i>N</i>-dicopper(I)]]","","- C16 H20 Cu2 N8 S4 -","- C8 H10 Cu N4 S2 -","- C32 H40 Cu4 N16 S8 -","4","1","BG3158","Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations","Acta Crystallographica Section C","2013","69","6","610","612","10.1107/S0108270113011992","","","0.71073","MoKα","","0.0431","0.0377","","","0.1168","0.1226","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018942","25.1037","0.0008","17.2675","0.0008","14.9338","0.0006","90","","90.042","0.002","90","","6473.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-3,4-dimethoxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>:<i>O</i>')bis[[4-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II)] heptahydrate","","- C60 H72 N6 O23 Zn2 -","- C60 H72 N6 O23 Zn2 -","- C240 H288 N24 O92 Zn8 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0524","0.0408","","","0.108","0.1162","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018943","26.6175","0.0011","6.0635","0.0003","18.7796","0.0009","90","","110.954","0.002","90","","2830.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(3,4-dimethoxy-<i>trans</i>-cinnamato-κ<i>O</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C32 H30 N2 O8 Zn -","- C32 H30 N2 O8 Zn -","- C128 H120 N8 O32 Zn4 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0472","0.0394","","","0.0993","0.1049","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018944","9.379","0.002","10.023","0.002","13.773","0.003","101.504","0.003","107.424","0.003","99.561","0.003","1174.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dibromidocadmium(II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole] monohydrate]","","- C24 H20 Br2 Cd N4 O -","- C24 H20 Br2 Cd N4 O -","- C48 H40 Br4 Cd2 N8 O2 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0786","0.0624","","","0.1669","0.1784","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018945","9.128","0.002","10.254","0.003","13.429","0.004","70.065","0.003","77.717","0.004","86.952","0.003","1154.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diiodidocadmium (II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole]","","- C24 H18 Cd I2 N4 -","- C24 H18 Cd I2 N4 -","- C48 H36 Cd2 I4 N8 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0361","0.0304","","","0.0745","0.0771","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018946","9.771","0.002","16.807","0.002","19.692","0.002","90","","93.976","0.007","90","","3226.1","0.8","134","2","134","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(3',5'-Dimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","2","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.1275","0.0521","","","0.0766","0.0929","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018947","12.373","0.001","10.303","0.002","13.279","0.002","90","","92.578","0.007","90","","1691.1","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2',4',6'-Trimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.0696","0.0403","","","0.0939","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018948","16.7042","0.0014","7.1632","0.0007","15.0528","0.0011","90","","90","","90","","1801.2","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[8-(3,5-Dimethylphenyl)naphthalen-1-yl]-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","1.5418","CuKα","","0.0271","0.0268","","","0.0701","0.0703","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018949","4.3137","0.0004","27.918","0.002","17.6437","0.0015","90","","93.897","0.001","90","","2119.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)]","","- C17 H10 I2 O9 Pb2 -","- C17 H10 I2 O9 Pb2 -","- C68 H40 I8 O36 Pb8 -","4","1","EM3057","Luo, Shao-Hua","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I~4~ unit","Acta Crystallographica Section C","2013","69","5","494","497","10.1107/S0108270113010007","","","0.71073","MoKα","","0.0383","0.0318","","","0.0681","0.0701","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018950","13.5049","0.0004","14.3144","0.0005","19.677","0.0006","89.772","0.002","78.954","0.002","74.262","0.002","3588.8","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","Di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","","- C79 H60 Cl2 F4 Ir2 N4 O8 S4 -","- C72 H52 Cl2 F4 Ir2 N4 O8 S4 -","- C144 H104 Cl4 F8 Ir4 N8 O16 S8 -","2","1","FA3306","Mesto, Ernesto; Scordari, Fernando; Lacalamita, Maria; De Cola, Luisa; Ragni, Roberta; Farinola, Gianluca Maria","The correct assignment of stereochemistry in di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","Acta Crystallographica Section C","2013","69","5","480","482","10.1107/S010827011300663X","","","0.71073","MoKα","","0.0948","0.0443","","0.0653","0.0455","0.0426","","","","","","1.1381","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018951","5.3101","0.0012","29.081","0.007","6.6757","0.0015","90","","90.829","0.003","90","","1030.8","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolyl-L-serine","(<i>S</i>)-3-Hydroxy-2-[(<i>S</i>)-pyrrolidine-2-carboxamido]propanoic acid","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","2","FA3314","Görbitz, Carl Henrik; Yadav, Vitthal N.","A water wire in <small>L</small>-prolyl-<small>L</small>-serine monohydrate","Acta Crystallographica Section C","2013","69","5","556","559","10.1107/S0108270113010299","","","0.71073","MoKα","","0.0591","0.0435","","","0.1029","0.1099","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018952","10.454","0.002","35.61","0.007","14.408","0.003","90","","95.61","0.03","90","","5337.9","1.9","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoic acid 4-benzyloxy-6-(2-chloroacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl ester; acetic acid 5-azido-4-benzyloxy-3-(9<i>H</i>-fluoren-9-ylmethoxycarbonyloxy)-6-methoxytetrahydr-pyran-2-ylmethyl ester","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<i>D</i>-glucopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C236 H224 Cl4 N12 O64 -","4","2","FA3316","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.","Translationally related nearly identical molecules: 4-methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<small>D</small>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2013","69","6","679","682","10.1107/S010827011301367X","","","1.54178","CuKα","","0.084","0.0574","","","0.133","0.1554","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018953","11.8476","0.0003","7.2879","0.0002","12.1343","0.0003","90","","105.018","0.003","90","","1011.94","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 5-sulfosalicylate monohydrate","Ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C7 H11 N O7 S -","- C7 H11 N O7 S -","- C28 H44 N4 O28 S4 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0359","0.0288","","","0.078","0.0798","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018954","18.7682","0.0008","5.0027","0.0002","21.2122","0.001","90","","101.99","0.004","90","","1948.2","0.15","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","triammonium 5-sulfosalicylate","Triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","","- C14 H21 N3 O12 S2 -","- C14 H21 N3 O12 S2 -","- C56 H84 N12 O48 S8 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0343","0.0292","","","0.0625","0.0636","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018955","4.5971","0.0003","15.4607","0.0011","41.389","0.003","90","","90.31","0.005","90","","2941.7","0.4","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cadaverinium dibromide","Pentane-1,5-diaminium dibromide","","- C5 H16 Br2 N2 -","- C5.00033 H16 Br2 N2.00033 -","- C60.004 H192 Br24 N24.004 -","12","3","FN3129","Arderne, Charmaine","Pentane-1,5-diaminium dibromide","Acta Crystallographica Section C","2013","69","5","526","528","10.1107/S0108270113007762","","","0.71073","MoKα","","0.057","0.0299","","","0.0471","0.0494","","","","","","0.887","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018956","6.964","0.002","11.3","0.003","13.088","0.004","90","","90","","90","","1029.9","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Indium pentaoxidofluoridotellurate(IV)","","- F In O5 Te2 -","- F In O5 Te2 -","- F8 In8 O40 Te16 -","8","1","FN3131","Jennene Boukharrata, Nefla; Duclère, Jean-René; Laval, Jean-Paul; Thomas, Philippe","A new oxyfluorotellurate(IV), InTe~2~O~5~F","Acta Crystallographica Section C","2013","69","5","460","462","10.1107/S010827011300913X","","","0.71073","MoKα","","0.0185","0.015","","","0.0236","0.024","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018957","12.1097","0.0014","12.7228","0.0015","25.46","0.003","90","","90","","90","","3922.6","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","","- C19 H20 Cl Cu N3 O4 -","- C19 H20 Cl Cu N3 O4 -","- C152 H160 Cl8 Cu8 N24 O32 -","8","1","FN3134","Wang, Min; Lian, Zhao-Xun","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2013","69","6","594","596","10.1107/S0108270113011967","","","0.71073","MoKα","","0.0812","0.0417","","","0.1016","0.1185","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018958","9.5672","0.0019","19.153","0.004","23.006","0.005","90","","101.53","0.03","90","","4130.6","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C144 H136 Cl8 Cu16 N32 O32 S8 -","2","0.5","FN3135","Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","Acta Crystallographica Section C","2013","69","6","613","615","10.1107/S0108270113012547","","","0.71073","MoKα","","0.137","0.0452","","","0.0564","0.0667","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018959","5.964","0.002","9.777","0.004","17.469","0.006","90","","90","","90","","1018.6","0.6","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol","","- C9 H20 O2 -","- C9 H20 O2 -","- C36 H80 O8 -","4","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.031","0.028","","","0.0728","0.0743","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018960","11.459","0.003","5.7077","0.0013","15.247","0.003","90","","103.827","0.003","90","","968.3","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-4-Benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.0416","0.0344","","","0.0829","0.0868","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018961","8.4528","0.0005","8.5689","0.0005","12.4424","0.0007","87.84","0.005","72.284","0.005","87.368","0.008","857.31","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","alogliptin","2-({6-[(3<i>R</i>)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile","","- C18 H21 N5 O2 -","- C18 H21 N5 O2 -","- C36 H42 N10 O4 -","2","2","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","0.71073","MoKα","","0.0512","0.0443","","","0.0988","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018962","8.0666","0.0002","9.8727","0.0002","28.4593","0.0006","90","","90","","90","","2266.47","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alogliptin benzoate","(3<i>R</i>)-1-{3-[(2-Cyanophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}piperidin-3-aminium benzoate","","- C25 H27 N5 O4 -","- C25 H27 N5 O4 -","- C100 H108 N20 O16 -","4","1","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","1.5418","CuKα","","0.0316","0.0297","","","0.0749","0.0759","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018963","7.41","0.004","9.742","0.004","8.64","0.003","90","","110.7","0.03","90","","583.4","0.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis(bromomethyl)cyclobutane","","- C8 H12 Br4 -","- C8 H12 Br4 -","- C16 H24 Br8 -","2","0.5","GZ3236","Kelch, André; Dix, Ina; Hopf, Henning; Jones, Peter G.","Bromine‒bromine interactions in the packing of <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-tetrakis(bromomethyl)cyclobutane","Acta Crystallographica Section C","2013","69","6","627","629","10.1107/S0108270113010597","","","0.71073","MoKα","","0.0447","0.0352","","","0.0837","0.0891","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018964","20.412","0.0004","7.173","0.0002","17.8858","0.0004","90","","90","","90","","2618.75","0.11","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-<i>a</i>]pyrimidine)nickel(II) hemihydrate","","- C12 H17 N6 Ni O0.5 -","- C12 H17 N6 Ni O0.5 -","- C96 H136 N48 Ni8 O4 -","8","1","KU3094","Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions","Acta Crystallographica Section C","2013","69","6","565","568","10.1107/S0108270113010585","","","0.71073","MoKα","","0.0632","0.0434","","","0.099","0.107","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018965","8.9365","0.0002","9.7815","0.0002","22.3819","0.0005","86.696","0.002","80.675","0.002","89.888","0.002","1927.34","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[1,1'-biphenyl]-4,4'-dicarboxylato-[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]]","","- C46 H37 Cl N6 O5 Zn -","- C46 H37 Cl N6 O5 Zn -","- C92 H74 Cl2 N12 O10 Zn2 -","2","1","KY3027","Zhou, Wen; Wang, Jian","A one-dimensional zinc(II) coordination polymer incorporating [1,1'-biphenyl]-4,4'-dicarboxylate and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide ligands","Acta Crystallographica Section C","2013","69","5","486","490","10.1107/S0108270113008111","","","0.71073","MoKα","","0.0923","0.0497","","","0.0991","0.1138","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018966","13.1611","0.0002","14.0977","0.0002","22.1219","0.0003","90","","90.094","0.002","90","","4104.52","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfamethazinium 5-nitrosalicylate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2-hydroxy-5-nitrobenzoate","","- C19 H19 N5 O7 S -","- C19 H19 N5 O7 S -","- C152 H152 N40 O56 S8 -","8","2","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0528","0.0346","","","0.0857","0.0898","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018967","8.3131","0.0002","19.2779","0.0005","13.4483","0.0004","90","","99.158","0.003","90","","2127.74","0.1","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethazinium picrate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate","","- C18 H17 N7 O9 S -","- C18 H17 N7 O9 S -","- C72 H68 N28 O36 S4 -","4","1","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0479","0.0344","","","0.0873","0.0913","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018968","7.4523","0.0002","8.8189","0.0002","12.1288","0.0003","103.263","0.001","99.042","0.001","101.361","0.001","743.36","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C34 H22 Cl4 Cu2 N6 -","2","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0328","0.0312","","","0.0822","0.0834","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018969","11.863","0.0002","7.7022","0.0002","16.8882","0.0003","90","","106.424","0.001","90","","1480.13","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C68 H44 Cl8 Cu4 N12 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0465","0.0368","","","0.0928","0.098","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018970","8.1051","0.001","21.714","0.003","14.4087","0.0019","90","","96.337","0.003","90","","2520.4","0.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate‒2-(pyridin-2-yl)-1,10-phenanthroline","","- C26 H29 F6 N4 O P -","- C26 H29 F6 N4 O P -","- C104 H116 F24 N16 O4 P4 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","0.7749","synchrotron","","0.0568","0.0486","","","0.1446","0.1511","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018971","12.332","0.003","12.461","0.003","12.85","0.003","90","","91.31","0.03","90","","1974.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0517","0.0279","","","0.0588","0.0724","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018972","8.8324","0.0012","8.8324","0.0012","6.4406","0.0013","90","","90","","90","","502.44","0.14","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0557","0.0446","","","0.128","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018973","16.156","0.0004","8.4129","0.0001","20.3545","0.0006","90","","109.934","0.001","90","","2600.8","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1<i>S</i>,2<i>R</i>,<i>R</i>~N~)-2,4-Di-<i>tert</i>-butyl-6-{[(1-oxido-1-\ phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-\ dioxidomolybdenum(VI)‒[(1<i>S</i>,2<i>R</i>,<i>S</i>~N~)-2,4-di-<i>tert</i>-\ butyl-6-{[(1-oxido-1-phenylpropan-2-\ yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-dioxidomolybdenum(VI)","","- C26 H39 Mo N O5 -","- C26 H39 Mo N O5 -","- C104 H156 Mo4 N4 O20 -","4","2","LG3109","Sillanpää, Reijo; Hänninen, Mikko M.","A cocrystal of two Mo^VI^ complexes bearing different diastereomers of the 2,4-di-<i>tert</i>-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine","Acta Crystallographica Section C","2013","69","5","509","512","10.1107/S0108270113010652","","","0.71073","MoKα","","0.042","0.0373","","","0.082","0.0845","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018974","8.6511","0.0007","33.613","0.003","11.9147","0.0009","90","","92.723","0.002","90","","3460.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","","- C32 H37 Cl2 N4 O10 Rh -","- C32 H37 Cl2 N4 O10 Rh -","- C128 H148 Cl8 N16 O40 Rh4 -","4","1","MX3092","Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","Acta Crystallographica Section C","2013","69","6","584","587","10.1107/S0108270113009633","","","0.71073","MoKα","","0.1048","0.0503","","","0.0734","0.0892","","","","","","0.849","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018975","23.722","0.015","5.72","0.004","16.868","0.011","90","","98.404","0.01","90","","2264","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","3-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C96 H88 Cl8 N16 -","8","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0597","0.0419","","","0.1082","0.1195","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018976","13.323","0.003","9.802","0.002","9.107","0.002","90","","109.212","0.004","90","","1123.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","4-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C48 H44 Cl4 N8 -","4","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0642","0.0472","","","0.1088","0.1189","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018977","15.9611","0.001","19.1464","0.0012","10.162","0.0006","90","","91.335","0.001","90","","3104.6","0.3","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","","- C72 H86 N4 O4 -","- C72 H86 N4 O4 -","- C144 H172 N8 O8 -","2","0.5","MX3095","Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","Acta Crystallographica Section C","2013","69","6","651","653","10.1107/S0108270113011232","","","0.71073","MoKα","","0.0707","0.0489","","","0.1107","0.1225","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018978","12.2905","0.0014","12.2905","0.0014","16.133","0.004","90","","90","","90","","2437","0.7","291","2","291","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","","- C37 H52 Cl4 N8 O8 Zn2 -","- C37 H52 Cl4 N8 O8 Zn2 -","- C74 H104 Cl8 N16 O16 Zn4 -","2","0.25","MX3099","Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2013","69","6","577","580","10.1107/S0108270113010937","","","0.71073","MoKα","","0.046","0.0311","","","0.0825","0.0863","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018979","16.282","0.003","17.74","0.003","11.608","0.002","90","","90","","90","","3352.9","1","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>rac</i>-Bis{μ-<i>trans</i>-2,2'-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II)","","- C38 H40 N4 O4 Pd2 -","- C38 H40 N4 O4 Pd2 -","- C152 H160 N16 O16 Pd8 -","4","0.5","OV3021","Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi","A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers","Acta Crystallographica Section C","2013","69","5","503","505","10.1107/S0108270113004484","","","0.71075","MoKα","","","0.0214","","","","0.0555","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018980","6.9527","0.0011","6.5631","0.001","10.4284","0.0019","90","","97.094","0.014","90","","472.22","0.14","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>L</i>-Serinium semi-maleate","<i>L</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0603","0.039","","","0.0646","0.0699","","","","","","0.932","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018981","5.9406","0.0003","8.9527","0.0004","9.3796","0.0003","79.239","0.003","75.528","0.003","86.771","0.004","474.5","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","<i>DL</i>-Serinium semi-maleate","<i>DL</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0549","0.0435","","","0.1079","0.1153","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018982","10.342","0.008","10.408","0.008","15.633","0.012","72.226","0.011","82.736","0.012","60.549","0.009","1394.8","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-methyl-{5-[5-methyl-2-(pyridin-3-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-3-carboxylate)bis(perchlorato)copper(II)","","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.0871","0.0586","","","0.138","0.1547","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018983","9.26","0.002","12.597","0.003","15.623","0.004","96.709","0.004","102.843","0.004","108.464","0.004","1650.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diacetonitriledi-μ~3~-iodido-di-μ~2~-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I)","","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.067","0.0453","","","0.0943","0.1038","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018984","12.432","0.004","7.587","0.003","12.507","0.004","90","","90","","90","","1179.7","0.7","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentacadmium tetraarsenide","Dirubidium pentacadmium tetraarsenide","","- As4 Cd5 Rb2 -","- As4 Cd5 Rb2 -","- As16 Cd20 Rb8 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0318","0.0214","","","0.0406","0.0431","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018985","12.3975","0.0011","7.5516","0.0007","12.4514","0.0011","90","","90","","90","","1165.71","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentazinc tetraantimonide","Dirubidium pentazinc tetraantimonide","","- Rb2 Sb4 Zn5 -","- Rb2 Sb4 Zn5 -","- Rb8 Sb16 Zn20 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.021","0.0182","","","0.0375","0.0387","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018986","12.6086","0.0011","7.6761","0.0006","12.6232","0.0011","90","","90","","90","","1221.73","0.18","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","Dirubidium pentacadmium tetra(arsenide/antimonide)","","- As3 Cd5 Rb2 Sb -","- As3.004 Cd5 Rb2 Sb0.996 -","- As12.016 Cd20 Rb8 Sb3.984 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0148","0.0132","","","0.026","0.0264","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018987","18.6202","0.0012","11.7427","0.0007","14.9474","0.0009","90","","98.999","0.002","90","","3228","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methylamino-5-nitro-2,4-diphenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0466","0.0371","","","0.0948","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018988","7.6736","0.0014","8.6808","0.0015","13.152","0.002","81.498","0.011","75.721","0.011","79.851","0.011","830.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 F N3 O3 -","- C19 H14 F N3 O3 -","- C38 H28 F2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0517","0.04","","","0.1233","0.1362","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018989","9.4556","0.0002","9.9562","0.0002","11.1806","0.0003","95.81","0.001","111.785","0.001","109.362","0.001","891.39","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 Cl N3 O3 -","- C19 H14 Cl N3 O3 -","- C38 H28 Cl2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0563","0.045","","","0.1208","0.1299","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018990","4.916","0.002","8.998","0.003","21.604","0.006","90","","94.445","0.007","90","","952.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,6a,7,10,10a-Fexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71069","MoKα","","0.0398","0.0372","","","0.098","0.0996","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018991","17.84","0.002","6.8747","0.0006","16.2125","0.0017","90","","102.419","0.005","90","","1941.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","2","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71075","MoKα","","0.0606","0.0456","","","0.1132","0.1246","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018992","5.218","0.0013","20.188","0.005","10.503","0.003","90","","101.139","0.003","90","","1085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[μ~4~-5-carboxy-4-carboxylato-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-ido]disilver(I)]","","- C10 H5 Ag2 N3 O4 -","- C10 H5 Ag2 N3 O4 -","- C40 H20 Ag8 N12 O16 -","4","1","SF3194","Deng, Zhi-He; Peng, Zhen-Jian; Huang, Jun","A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1<i>H</i>-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C","2013","69","5","467","470","10.1107/S0108270113006768","","","0.71073","MoKα","","0.0396","0.0381","","","0.0952","0.0969","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018993","9.196","0.005","10.491","0.005","11.186","0.005","102.407","0.005","98.185","0.005","105.697","0.005","991.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","","- C12 H12 Cl4 N10 Zn -","- C12 H12 Cl4 N10 Zn -","- C24 H24 Cl8 N20 Zn2 -","2","1","SF3195","Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech","A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","Acta Crystallographica Section C","2013","69","5","513","516","10.1107/S0108270113010809","","","0.71069","MoKα","","0.0431","0.029","","","","0.0699","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018994","6.7538","0.0014","22.852","0.005","8.959","0.0018","90","","90","","90","","1382.7","0.5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","","- C10 H16 Cd Cl3 N -","- C10 H16 Cd Cl3 N -","- C40 H64 Cd4 Cl12 N4 -","4","1","SK3472","Wu, De-Hong; Jin, Lei","A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","Acta Crystallographica Section C","2013","69","5","491","493","10.1107/S010827011300930X","","","0.71073","MoKα","","0.0327","0.0266","","","0.0543","0.056","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018995","16.133","0.002","16.133","0.002","11.684","0.004","90","","90","","120","","2633.6","1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","","- C15 H21 Na Ni O6 -","- C15 H21 Na Ni O6 -","- C90 H126 Na6 Ni6 O36 -","6","0.166667","SK3482","Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","Acta Crystallographica Section C","2013","69","5","506","508","10.1107/S0108270113009797","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0702","","","","","","1.142","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018996","7.4961","0.0003","7.6923","0.0003","10.8821","0.0007","73.421","0.005","84.844","0.006","88.53","0.006","598.97","0.05","120","2","120","","","","","","","","","4","P -1","-P 1","2","Benzaldehyde methyl(pyrazin-2-ylcarbonyl)hydrazone","<i>N</i>'-Benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C26 H24 N8 O2 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.042","0.0355","","","0.111","0.1187","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018997","4.032","0.005","10.628","0.015","15.034","0.019","94.08","0.03","90.36","0.03","92.07","0.03","642.2","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(2-Methoxybenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0668","0.0548","","","0.1466","0.1588","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018998","19.395","0.003","3.9517","0.0005","23.27","0.003","90","","124.89","0.009","90","","1462.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(4-Cyanobenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide dihydrate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0908","0.0629","","","0.1872","0.2479","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018999","17.51","0.002","10.5421","0.0011","14.9638","0.0014","90","","107.887","0.008","90","","2628.7","0.5","120","2","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0696","0.0604","","","0.1592","0.1685","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019000","3.7974","0.0002","33.3126","0.0017","10.0959","0.0005","90","","99.027","0.002","90","","1261.33","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71073","MoKα","","0.112","0.0802","","","0.1756","0.1959","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019001","11.5883","0.0003","10.3101","0.0002","15.5888","0.0004","90","","94.891","0.003","90","","1855.71","0.08","112","2","112","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","","- C18 H31 K O -","- C18 H31 K O -","- C72 H124 K4 O4 -","4","1","SK3485","Seidel, Rüdiger W.; Ganesamoorthy, Chelladurai; Loerke, Sinah; Winter, Manuela V.; Gemel, Christian; Fischer, Roland A.","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","Acta Crystallographica Section C","2013","69","6","573","576","10.1107/S0108270113011074","","","1.54184","CuKα","","0.0524","0.0436","","","0.114","0.1214","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019002","7.9681","0.0006","9.8543","0.0006","11.1812","0.0008","74.974","0.006","72.481","0.006","76.59","0.006","797.24","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","","- C12 H16 Br2 Cu N2 O3 -","- C12 H16 Br2 Cu N2 O3 -","- C24 H32 Br4 Cu2 N4 O6 -","2","1","SK3487","Lah, Nina; Lapanje, Katja","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","Acta Crystallographica Section C","2013","69","6","624","626","10.1107/S0108270113013437","","","0.71073","MoKα","","0.0526","0.0413","","","0.0853","0.092","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019003","8.2432","0.0012","13.327","0.003","11.6819","0.0019","90","","99.743","0.011","90","","1264.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile","","- C16 H9 F N2 S -","- C16 H9 F N2 S -","- C64 H36 F4 N8 S4 -","4","1","SK3489","Trilleras, Jorge; Velásquez, Kelly; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of π-stacked hydrogen-bonded rings","Acta Crystallographica Section C","2013","69","6","671","673","10.1107/S0108270113013267","","","0.71073","MoKα","","0.0901","0.0489","","","0.1092","0.1304","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019004","9.2089","0.001","17.9875","0.0017","23.697","0.002","90","","90","","90","","3925.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0712","0.0567","","","0.1281","0.1445","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019005","9.2606","0.0008","9.2606","0.0008","44.847","0.004","90","","90","","90","","3846","0.6","100","","100","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","1","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0392","0.0391","","","0.1066","0.1067","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019006","5","0.0002","17.1211","0.0006","6.4421","0.0003","90","","105.864","0.004","90","","530.48","0.04","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Ethoxyquinoline N-oxide dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","TP3021","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.; Morrison, Catriona A.","Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline <i>N</i>-oxide dihydrate","Acta Crystallographica Section C","2013","69","6","665","670","10.1107/S0108270113011979","","","0.71073","MoKα","","0.0406","0.035","","","0.0757","0.0793","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019007","13.4857","0.0004","5.0971","0.0001","11.5521","0.0003","90","","111.018","0.003","90","","741.24","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diyl bis(4-oxopentanoate)","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0406","0.0351","","","0.0883","0.0938","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019008","14.9937","0.0007","5.0837","0.0002","11.4485","0.0005","90","","108.11","0.005","90","","829.41","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexane-1,6-diyl bis(4-oxopentanoate)","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0808","0.0562","","","0.1428","0.1593","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019009","10.5129","0.0013","10.5849","0.0013","12.7572","0.0016","83.6258","0.0014","87.7599","0.0011","60.5657","0.0014","1228.5","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","Hexadecacarbonylbis{μ~3~-[(diphenylphosphanyl)methanediidyl]sulfanido}-μ~4~-disulfido(2-)-hexairon(4 <i>Fe</i>—<i>Fe</i>)","","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","1","0.5","WQ3029","Shi, Yao-Cheng; Cheng, Huan-Ren; Cheng, Da-Cong","A novel hexairon cluster with one disulfide and two Ph~2~PCS^3{-^} ligands","Acta Crystallographica Section C","2013","69","6","581","583","10.1107/S0108270113009049","","","0.71073","MoKα","","0.0382","0.0268","","","0.0644","0.0708","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019010","8.3467","0.001","10.453","0.001","16.7393","0.0018","90","","96.689","0.009","90","","1450.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-di-<i>tert</i>-butyl(hydroxy)silanolato]bis[chloridoindium(III)]","","- C16 H38 Cl4 In2 O4 Si2 -","- C16 H38 Cl4 In2 O4 Si2 -","- C32 H76 Cl8 In4 O8 Si4 -","2","0.5","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.0749","0.0559","","","0.1312","0.14","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019011","10.5661","0.0007","11.7334","0.001","18.1342","0.0012","90","","93.153","0.005","90","","2244.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Tetrakis(tetrahydrofuran)lithium tetrakis[(trimethylsilyl)methyl]borate","","- C32 H76 B Li O4 Si4 -","- C32 H76 B Li O4 Si4 -","- C64 H152 B2 Li2 O8 Si8 -","2","1","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.1299","0.0706","","","0.1163","0.1354","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019012","16.735","0.004","6.4066","0.0017","24.197","0.006","90","0.001","93.0512","0.0011","90","0.001","2590.6","1.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,8,11-Tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","","- C58 H64 S8 -","- C58.048 H64 S8 -","- C116.096 H128 S16 -","2","0.5","WQ3031","Gao, Libin","Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","Acta Crystallographica Section C","2013","69","6","634","637","10.1107/S0108270113010895","","","0.7107","MoKα","","0.098","0.0766","","","0.1701","0.1838","","","","","","1.126","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019013","7.7131","0.0011","9.26","0.0013","10.2716","0.0015","113.988","0.002","91.893","0.003","94.895","0.002","665.97","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","1","0.5","WQ3033","Tao, Jian-Qing; Mao, Dan; Wang, Jun","Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","Acta Crystallographica Section C","2013","69","6","597","600","10.1107/S0108270113011153","","","0.71073","MoKα","","0.0505","0.0482","","","0.1211","0.1232","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019014","8.7426","0.0011","14.3464","0.0019","7.2686","0.001","90","","110.808","0.002","90","","852.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","","- C8 H18 Cd2 Cl4 N2 O6 -","- C8 H18 Cd2 Cl4 N2 O6 -","- C16 H36 Cd4 Cl8 N4 O12 -","2","0.5","WQ3034","Xu, Xiao-Juan; Miao, Jian-Yun; Wang, Jun","A novel two-dimensional coordination polymer: poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","Acta Crystallographica Section C","2013","69","6","620","623","10.1107/S0108270113013000","","","0.71073","MoKα","","0.0326","0.0309","","","0.0806","0.082","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019015","13.5649","0.0013","11.8142","0.0011","8.1678","0.0012","90","","99.281","0.01","90","","1291.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.07","0.0426","","","0.0994","0.1161","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019016","26.59","0.003","6.289","0.0009","17.2655","0.0019","90","","104.017","0.011","90","","2801.2","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>RS</i>)-4-(1,3-Benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.0785","0.0486","","","0.0999","0.1137","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019017","10.9287","0.0008","9.5775","0.0007","16.0272","0.0012","90","","91.051","0.005","90","","1677.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tribenzylphosphane","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","1","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0932","0.0492","","","0.0932","0.1089","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019018","13.941","0.005","13.941","0.005","15.693","0.007","90","","90","","120","","2641.3","1.8","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","Tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","","- C42 H44 Cl2 P2 -","- C42 H44 Cl2 P2 -","- C126 H132 Cl6 P6 -","3","0.333333","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0483","0.0419","","","0.0958","0.0993","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019019","11.838","0.001","12.1071","0.0011","17.8029","0.0018","74.134","0.002","71.044","0.001","71.872","0.001","2250.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tris[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium)] bis[tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)]","","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0616","0.0387","","","0.0858","0.1027","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019020","11.235","0.0012","11.7211","0.0013","11.8459","0.0013","102.194","0.001","98.184","0.001","115.998","0.002","1320.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) 1-[4-(1<i>H</i>-imidazol-1-yl)butyl]-1<i>H</i>-imidazol-3-ium tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI) dihydrate","","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0711","0.0503","","","0.1069","0.1226","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019021","7.437","0.003","15.164","0.007","11.278","0.005","90","","90","","90","","1271.9","1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)]","","- C12 H13 Mn N O6 -","- C12 H13 Mn N O6 -","- C48 H52 Mn4 N4 O24 -","4","1","YP3025","Huang, Xiao-Hui","A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net","Acta Crystallographica Section C","2013","69","5","483","485","10.1107/S0108270113008512","","","0.71073","MoKα","","0.0266","0.0235","","","0.046","0.0472","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019022","7.063","0.0002","10.3833","0.0005","14.8591","0.0007","90","","90","","90","","1089.73","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cysteamine tartrate(1-) monohydrate","","- C6 H15 N O7 S -","- C6 H15 N O7 S -","- C24 H60 N4 O28 S4 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.051","0.0387","","","","0.0932","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019023","5.7281","0.0003","9.3699","0.0005","24.677","0.0014","90","","90","","90","","1324.46","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine tartrate(2-)","","- C8 H18 N2 O6 S2 -","- C8 H18 N2 O6 S2 -","- C32 H72 N8 O24 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.0879","0.0601","","","","0.1393","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019024","7.3425","0.0005","10.5227","0.0008","26.983","0.002","90","","90","","90","","2084.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine bis[tartrate(1-)] dihydrate","","- C12 H28 N2 O14 S2 -","- C12 H28 N2 O14 S2 -","- C48 H112 N8 O56 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.1259","0.0782","","","","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019025","6.6159","0.0003","14.5242","0.0007","14.5449","0.0007","87.035","0.004","81.713","0.004","76.947","0.004","1347.03","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate","","- C18 H30 Cd Cl4 N2 O6 P2 -","- C18 H30 Cd Cl4 N2 O6 P2 -","- C36 H60 Cd2 Cl8 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.0455","0.0318","","","0.0653","0.069","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019026","6.6448","0.0004","14.4213","0.0014","14.4804","0.0016","87.523","0.008","80.727","0.007","76.99","0.007","1334.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocobaltate(II) dihydrate","","- C18 H30 Cl4 Co N2 O6 P2 -","- C18 H30 Cl4 Co N2 O6 P2 -","- C36 H60 Cl8 Co2 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.1195","0.0689","","","0.1372","0.1566","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019027","11.0959","0.0008","7.4038","0.0005","17.1944","0.0013","90","","92.115","0.001","90","","1411.59","0.18","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfinate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfinate","","- C12 H21 N3 O2 S -","- C12 H21 N3 O2 S -","- C48 H84 N12 O8 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.0345","0.0302","","","0.0812","0.0851","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019028","11.185","0.003","7.648","0.002","17.415","0.005","90","","93.169","0.004","90","","1487.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfonate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfonate","","- C12 H21 N3 O2.82 S -","- C12 H21 N3 O2.816 S -","- C48 H84 N12 O11.264 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.1195","0.0628","","","0.1305","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019029","7.1093","0.0003","8.1905","0.0004","11.6494","0.0006","110.117","0.005","93.566","0.004","104.589","0.004","608.09","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","","- C9 H13 N5 O6 -","- C9 H13 N5 O6 -","- C18 H26 N10 O12 -","2","1","FA3317","Novaković, Sladjana B.; Bogdanović, Goran A.; Leovac, Vukadin M.; Rodić, Marko V.; Vojinović-Ješić, Ljiljana S.; Ivković, Sonja","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","Acta Crystallographica Section C","2013","69","7","761","764","10.1107/S0108270113013929","","","1.5418","CuKα","","0.0435","0.0422","","","0.121","0.1227","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019030","7.4412","0.0001","10.0576","0.0001","23.0738","0.0003","93.1684","0.0012","95.7542","0.0015","97.1347","0.001","1700.84","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.03","","","","","","","","2.56","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019031","7.5426","0.0001","10.1265","0.0001","23.282","0.0003","92.5207","0.0012","95.7302","0.0014","97.0177","0.0011","1753.3","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.034","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019032","7.756","0.0002","9.9761","0.0003","24.4467","0.0008","90.764","0.001","101.61","0.001","95.104","0.001","1844.56","0.1","500","","500","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00164","synchrotron","","0.031","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019033","7.782","0.004","10.802","0.005","9.512","0.005","90","","104.885","0.009","90","","772.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","uranyl valerate","Diaquadioxidobis(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C10 H22 O8 U -","- C10 H22 O8 U -","- C20 H44 O16 U2 -","2","0.25","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0251","0.0251","","","0.0588","0.0588","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019034","17.294","0.003","23.405","0.004","20.862","0.003","90","","90","","90","","8444","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","potassium uranyl valerate","Potassium dioxidotris(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C15 H27 K O8 U -","- C15 H27 K O8 U -","- C240 H432 K16 O128 U16 -","16","2","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0851","0.0655","","","0.1833","0.1933","","","","","","1.253","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019035","24.906","0.004","18.144","0.002","8.328","0.002","90","","90","","90","","3763.4","1.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","","- C13.6 H24.4 Cl2 N0.8 Pd S3 -","- C13.588 H24.382 Cl2 N0.794 Pd S3 -","- C108.704 H195.056 Cl16 N6.352 Pd8 S24 -","8","1","FN3138","Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","Acta Crystallographica Section C","2013","69","7","727","729","10.1107/S0108270113015060","","","0.71069","MoKα","","0.0992","0.0376","","","0.0926","0.1093","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019036","20.7076","0.0007","10.7885","0.0003","17.5044","0.0005","90","","108.187","0.003","90","","3715.2","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 Cd N6 O8 S4 -","- C30 H38 Cd N6 O8 S4 -","- C120 H152 Cd4 N24 O32 S16 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.0494","0.029","","","0.0611","0.0648","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019037","20.8508","0.0012","10.8334","0.0008","16.9888","0.001","90","","107.956","0.007","90","","3650.6","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 N6 O8 S4 Zn -","- C30 H38 N6 O8 S4 Zn -","- C120 H152 N24 O32 S16 Zn4 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.1018","0.0515","","","0.0872","0.1038","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019038","13.5365","0.0007","13.5365","0.0007","13.5365","0.0007","90","","90","","90","","2480.4","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dithulium hexacobalt icosastannide","","- Co6 Sn20 Tm2.22 -","- Co6 Sn20 Tm2.216 -","- Co24 Sn80 Tm8.864 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0356","0.0295","","","0.077","0.0813","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019039","13.5371","0.0016","13.5371","0.0016","13.5371","0.0016","90","","90","","90","","2480.7","0.5","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Thulium dilithium hexacobalt icosastannide","","- Co6 Li2 Sn20 Tm -","- Co6 Li2 Sn20 Tm -","- Co24 Li8 Sn80 Tm4 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0326","0.0282","","","0.0584","0.0602","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019040","18.1669","0.0016","7.2059","0.0006","26.435","0.002","90","","90","","90","","3460.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Aqua-octaaquabis(μ-2-thiobarbiturato-κ^2^<i>O</i>:<i>O</i>')bis(2-thiobarbiturato-κ<i>O</i>)tetralithium(I) dihydrate","","- C16 H34 Li4 N8 O19 S4 -","- C16 H34 Li4 N8 O19 S4 -","- C64 H136 Li16 N32 O76 S16 -","4","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0664","0.0529","","","0.1356","0.1462","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019041","7.4043","0.0011","10.6987","0.0016","11.4837","0.0017","101.175","0.002","106.932","0.002","92.527","0.002","848.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ~2~-aqua-tetraaqua(μ~4~-2-thiobarbiturato-κ^4^<i>O</i>:<i>O</i>:<i>S</i>:<i>S</i>)(μ~2~-thiobarbiturato-κ^2^<i>O</i>:<i>S</i>)disodium(I)]","","- C8 H16 N4 Na2 O9 S2 -","- C8 H14 N4 Na2 O9 S2 -","- C16 H28 N8 Na4 O18 S4 -","2","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0747","0.0443","","","0.1036","0.1193","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019042","7.8239","0.0017","11.033","0.002","21.677","0.004","90","","98.125","0.004","90","","1852.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}zinc(II)","","- C28 H24 N12 O14 S2 Zn2 -","- C28 H24 N12 O14 S2 Zn2 -","- C56 H48 N24 O28 S4 Zn4 -","2","0.5","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0793","0.0525","","","0.1014","0.1122","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019043","12.012","0.006","13.225","0.007","14.402","0.007","99.751","0.007","110.223","0.007","106.204","0.007","1969.8","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate]","","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C65 H63 Cl6 Cu2 N23 O16 S4 -","2","1","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0665","0.0515","","","0.1428","0.1697","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019044","7.7326","0.0009","10.9427","0.001","12.6997","0.0013","90","","101.948","0.011","90","","1051.31","0.19","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","LG3110","Paz, Cristian; Moreno, Yanko; Becerra, José; Silva, Mario; Burgos, Viviana; Freire, Eleonora; Baggio, Ricardo","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from <i>Aristotelia chilensis</i> (Maqui)","Acta Crystallographica Section C","2013","69","7","765","769","10.1107/S0108270113013991","","","0.71073","MoKα","","0.0688","0.0441","","","0.103","0.119","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019045","6.2088","0.0004","6.4128","0.0006","18.7953","0.001","88.989","0.002","87.64","0.002","61.736","0.002","658.57","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>,<i>N</i>'-Bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-7,10-diaza-3,14-disilahexadecane-7,10-diium dichloride","","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","1","0.5","LG3111","Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong","Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","Acta Crystallographica Section C","2013","69","7","787","789","10.1107/S0108270113015084","","","0.71073","MoKα","","0.046","0.0412","","","0.111","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019046","20.787","0.004","24.404","0.005","29.456","0.006","83.68","0.03","89.65","0.03","67.11","0.03","13671","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒4,4'-bipyridyl (4/1)","","- C82 H72 N2 O4 Si4 -","- C82 H72 N2 O4 Si4 -","- C656 H576 N16 O32 Si32 -","8","4","LG3115","Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L.","Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited","Acta Crystallographica Section C","2013","69","7","774","777","10.1107/S0108270113014601","","","0.71073","MoKα","","0.2045","0.0632","","","0.1349","0.1876","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019047","10.1474","0.0001","12.8562","0.0001","14.5494","0.0001","90","","92.92","","90","","1895.61","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine acetic acid monosolvate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine acetic acid monosolvate","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.0332","0.0326","","","0.0932","0.0936","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019048","24.5414","0.0004","12.5088","0.0003","15.3096","0.0004","90","","125.314","0.001","90","","3835.01","0.16","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-ol hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.035","0.0348","","","0.0996","0.0998","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019049","24.5759","0.0014","12.5608","0.0005","15.1607","0.0009","90","","125.79","0.009","90","","3796.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-one hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-one hemisolvate monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","0.71073","MoKα","","0.0806","0.0373","","","0.0851","0.0897","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019050","19.1372","0.0011","63.972","0.004","6.9053","0.0005","90","","90","","90","","8453.8","0.9","91","2","91","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Methyl 4-bromo-3,5-dimethoxybenzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C320 H352 Br32 O128 -","32","2","OV3030","Saeed, Aamer; Qasim, Muhammad; Simpson, Jim","Br···O contacts and π‒π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate","Acta Crystallographica Section C","2013","69","7","790","793","10.1107/S0108270113015229","","","0.71073","MoKα","","0.0306","0.0263","","","0.0564","0.0577","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019051","4.7546","0.0005","6.1071","0.0014","25.541","0.005","90","","93.686","0.012","90","","740.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-[2-(4-chlorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 Cl N3 O5 -","- C15 H12 Cl N3 O5 -","- C30 H24 Cl2 N6 O10 -","2","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0449","0.0393","","","0.0921","0.0959","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019052","4.5445","0.0006","16.5768","0.0008","19.812","0.002","90","","92.107","0.009","90","","1491.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[2-(2-fluorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 F N3 O5 -","- C15 H12 F N3 O5 -","- C60 H48 F4 N12 O20 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0839","0.0444","","","0.105","0.1198","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019053","5.9193","0.0014","28.138","0.002","7.3091","0.0008","90","","94.762","0.014","90","","1213.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-phenyl-1,2,4-benzotriazine-6-carboxylate","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.09","0.067","","","0.2372","0.2545","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019054","7.2326","0.0004","12.3516","0.0013","29.695","0.003","90","","90","","90","","2652.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(4-methylphenyl)-1,2,4-benzotriazine- 6-carboxylate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.1144","0.0617","","","0.1517","0.1883","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019055","18.416","0.003","9.2907","0.0017","16.229","0.003","90","","98.059","0.005","90","","2749.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)benzene-1,4-dicarboxamide-1:2κ^2^<i>N</i>:<i>N</i>']bis{[<i>N</i>,<i>N</i>'-bis(pyridin-3-yl)benzene-1,4-dicarboxamide-κ<i>N</i>]diiodidomercury(II)}","","- C54 H42 Hg2 I4 N12 O6 -","- C54 H42 Hg2 I4 N12 O6 -","- C108 H84 Hg4 I8 N24 O12 -","2","0.5","SF3199","Wu, Xiao-Liu; Zhang, Xiao-Min; Huang, Shu-Yun; Zhou, Wei-Na; Wang, Zhi-Chang","A novel two-dimensional metal‒organic supramolecular framework including π‒π stacking and hydrogen-bond interactions","Acta Crystallographica Section C","2013","69","7","730","733","10.1107/S0108270113015151","","","0.71073","MoKα","","0.0462","0.0295","","","0.0706","0.0883","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019056","9.4006","0.0009","27.461","0.003","9.5349","0.0009","90","","105.987","0.001","90","","2366.2","0.4","151","2","151","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(2-phenylquinoline-4-carboxylato-κ<i>O</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C26 H24 Ag N3 O5 -","- C26 H24 Ag N3 O5 -","- C104 H96 Ag4 N12 O20 -","4","1","SK3483","Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping","A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","7","742","744","10.1107/S010827011301559X","","","0.71069","MoKα","","0.0539","0.0405","","","0.0926","0.0991","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019057","8.5783","0.001","8.7819","0.0012","10.2156","0.0013","114.835","0.013","98.036","0.01","98.616","0.011","672.67","0.17","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II) 1.2-hydrate","","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","1","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0857","0.055","","","0.1388","0.1702","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019058","9.0206","0.0002","16.7979","0.0004","17.3754","0.0005","90","","90","","90","","2632.84","0.11","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II)","","- C18 H40 Cl2 Cu N4 O8 -","- C18 H40 Cl2 Cu N4 O8 -","- C72 H160 Cl8 Cu4 N16 O32 -","4","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0587","0.0436","","","0.1068","0.116","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019059","8.2485","0.0003","9.7291","0.0003","19.8055","0.0006","90","","94.737","0.003","90","","1583.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0349","0.0246","","","0.0451","0.0477","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019060","7.9048","0.0003","9.5597","0.0003","20.1036","0.0007","90","","99.421","0.004","90","","1498.69","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0315","0.0226","","","0.0383","0.0402","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019061","8.0221","0.0007","9.7523","0.0006","19.9889","0.001","90","","97.552","0.006","90","","1550.25","0.18","295","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0682","0.035","","","0.056","0.0645","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019062","7.9579","0.0004","9.667","0.0005","19.9987","0.0009","90","","98.25","0.005","90","","1522.56","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0517","0.0312","","","0.0498","0.0545","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019063","9.6572","0.0005","9.6878","0.0005","5.7627","0.0003","90.588","0.003","76.997","0.003","97.467","0.002","520.76","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","Ca(gly)2.3H2O","poly[[di-μ-aqua-bis(glycinato-κ^2^<i>N</i>,<i>O</i>)calcium(II)] monohydrate]","","- C4 H14 Ca N2 O7 -","- C4 H14 Ca N2 O7 -","- C8 H28 Ca2 N4 O14 -","2","1","SK3493","Le Bail, Armel; Daudon, Michel; Bazin, Dominique","A new compound in kidney stones? Powder X-ray diffraction study of calcium glycinate trihydrate","Acta Crystallographica Section C","2013","69","7","734","737","10.1107/S0108270113015709","powder diffraction","","1.5418","CuKα","","6.82","","","","","","","","2.05","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019064","12.748","0.005","13.227","0.005","14.46","0.005","103.344","0.004","109.689","0.004","97.861","0.004","2171.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua-μ~3~-chlorido-tris[μ~3~-4-(pyridin-4-yl)benzoato]tris[μ~2~-4-(pyridin-4-yl)benzoato]dicopper(I)erbium(III)] dihydrate]","","- C48 H38 Cl Cu2 Er N4 O11 -","- C48 H38 Cl Cu2 Er N4 O11 -","- C96 H76 Cl2 Cu4 Er2 N8 O22 -","2","1","WQ3036","Cao, Gao-Juan; Li, Qing-Lu; Rong, Cheng; Wang, Yu-Lin","A tubular one-dimensional polymer constructed from alternating clusters of europium(III)‒water and copper(I) chloride bridged by 4-(pyridin-4-yl)benzoate","Acta Crystallographica Section C","2013","69","7","712","715","10.1107/S0108270113014765","","","0.71073","MoKα","","0.028","0.0259","","","0.0651","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019065","7.8778","0.0012","11.2134","0.0014","11.7613","0.0014","69.368","0.012","73.893","0.012","89.07","0.011","930.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","thiamine pyrophosphate dihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate dihydrate","","- C12 H22 N4 O9 P2 S -","- C12 H22 N4 O9 P2 S -","- C24 H44 N8 O18 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0474","0.0379","","","0.1111","0.1156","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019066","8.3776","0.0012","9.2397","0.0013","14.208","0.002","87.896","0.011","74.324","0.013","75.559","0.011","1024.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Thiamine pyrophosphate trihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate trihydrate","","- C12 H24 N4 O10 P2 S -","- C12 H24 N4 O10 P2 S -","- C24 H48 N8 O20 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0481","0.0396","","","0.1069","0.1105","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019067","10.157","0.002","5.7147","0.0005","21.208","0.003","90","","105.048","0.015","90","","1188.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-anilino-1<i>H</i>-isochromen-1-one","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0807","0.0472","","","0.0955","0.1134","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019068","14.5018","0.0015","7.7796","0.0008","11.608","0.002","90","","95.728","0.013","90","","1303.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0913","0.0497","","","0.1049","0.125","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019069","5.7551","0.0005","16.1579","0.0019","17.123","0.0019","90","","95.464","0.008","90","","1585","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibenzylammonium hydrogen maleate","Dibenzylammonium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.0757","0.0461","","","0.0961","0.1099","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019070","25.548","0.006","12.9426","0.0016","18.555","0.003","90","","130.428","0.011","90","","4670.4","1.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(dibenzylamino)methane","","- C29 H30 N2 -","- C29 H30 N2 -","- C232 H240 N16 -","8","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.1054","0.0503","","","0.0979","0.1151","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019071","8.3782","0.0006","18.1569","0.0019","14.7588","0.0015","90","","101.309","0.008","90","","2201.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.0503","0.0392","","","0.0692","0.0739","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019072","11.066","0.003","9.708","0.002","21.717","0.006","90","","104.42","0.03","90","","2259.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.114","0.0599","","","0.1016","0.1209","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019073","7.4864","0.0015","8.1555","0.0016","14.136","0.003","78.47","0.03","74.99","0.03","71.43","0.03","783.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis(μ~3~-2-aminoacetato)di-μ-aqua-μ~3~-(naphthalene-1,5-\ disulfonato)-hexasilver(I)] dihydrate]","","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","1","0.5","BG3160","Wu, Hua; Lü, Xiao-Li; Lü, Bo; Dong, Chang-Xun; Wu, Mei-Sheng","A novel three-dimensional Ag^I^ coordination polymer based on mixed naphthalene-1,5-disulfonate and aminoacetate ligands","Acta Crystallographica Section C","2013","69","8","876","879","10.1107/S0108270113019550","","","0.71073","MoKα","","0.031","0.0256","","","0.0649","0.0662","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019074","3.81686","0.00007","9.6064","0.0003","13.3605","0.0004","94.2974","0.0015","91.7433","0.0014","91.7169","0.0014","488.02","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyridinium) fumarate‒fumaric acid (1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","1","0.5","CU3028","Dong, Shuichao; Tao, Yaqiu; Shen, Xiaodong; Pan, Zhigang","A new polymorph of bis(2-aminopyridinium) fumarate‒fumaric acid (1/1) from powder X-ray diffraction","Acta Crystallographica Section C","2013","69","8","896","900","10.1107/S0108270113017423","powder diffraction","","1.54056","CuKα1","","","","","","","","","","1.45","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019075","6.4621","0.0004","9.145","0.0005","20.2969","0.0012","90","","90","","90","","1199.46","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,7-Dideaza-2'-deoxy-6-nitronebularine","1-(2-Deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","CU3032","Yang, Haozhe; Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","1,7-Dideaza-2'-deoxy-6-nitronebularine: a pyrrolo[2,3-<i>b</i>]pyridine nucleoside with an intramolecular hydrogen bond stabilizing the <i>syn</i> conformation","Acta Crystallographica Section C","2013","69","8","892","895","10.1107/S0108270113016922","","","0.71073","MoKα","","0.0304","0.0291","","","0.0818","0.0835","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019076","7.2966","0.0009","9.1081","0.0011","10.3723","0.0012","66.803","0.001","88.947","0.002","82.509","0.002","627.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]\ imidazol-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","1","EG3127","Grinev, Vyacheslav S.; Egorova, Alevtina Yu.","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]imidazol-1-one, a potential plant-growth regulator","Acta Crystallographica Section C","2013","69","8","880","883","10.1107/S0108270113016119","","","0.71073","MoKα","","0.0476","0.0456","","","0.1222","0.1246","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019077","8.9252","0.0008","16.9606","0.0015","16.5461","0.0014","90","","103.35","0.001","90","","2437","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[26,28-dioxa-3,7,15,19,25,27-hexaazahexacyclo[19.3.1.1^2,5^.1^9,13^.1^17,20^.0^3,8^]octacosa-1(25),9(27),10,12,14,21,23-heptaene-κ^5^<i>N</i>]copper(II) perchlorate","","- C22 H25 Cl Cu N6 O8 -","- C22 H25 Cl Cu N6 O8 -","- C88 H100 Cl4 Cu4 N24 O32 -","4","1","EG3130","Knapton, Matthew; McKee, Vickie","Triple ring contraction of a [2+2] macrocyclic ligand","Acta Crystallographica Section C","2013","69","8","837","840","10.1107/S010827011301768X","","","0.71073","MoKα","","0.0512","0.0408","","","0.109","0.1152","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019078","15.9945","0.0007","6.7767","0.0003","9.502","0.0004","90","","104.795","0.002","90","","995.77","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","","- C24 H16 N2 O4 Pb -","- C24 H16 N2 O4 Pb -","- C48 H32 N4 O8 Pb2 -","2","0.5","FA3319","Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","Acta Crystallographica Section C","2013","69","8","872","875","10.1107/S0108270113019045","","","0.71073","MoKα","","0.0317","0.0315","","","0.0746","0.0747","","","","","","1.095","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2019079","14.1821","0.0008","8.3971","0.0005","13.6799","0.0008","90","","90","","90","","1629.12","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C24 H96 Co4 N24 S16 Sb4 -","4","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0232","0.0201","","","0.0368","0.0379","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019080","15.4909","0.0011","15.4909","0.0011","13.6285","0.0009","90","","90","","90","","3270.4","0.4","296","2","296","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C48 H192 Co8 N48 S32 Sb8 -","8","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0273","0.0212","","","0.0394","0.0452","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019081","16.6917","0.0018","5.9748","0.0004","24.84","0.003","90","","91.841","0.01","90","","2476","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","FG3298","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded bilayers in 7-benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","Acta Crystallographica Section C","2013","69","8","884","887","10.1107/S0108270113017435","","","0.71073","MoKα","","0.0814","0.0458","","","0.0968","0.1146","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019082","18.2718","0.0012","3.9347","0.0003","29.0066","0.0019","90","","100.188","0.001","90","","2052.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","","- C20 H14 Cu2 F4 N4 Nb O3 -","- C20 H14 Cu2 F4 N4 Nb O3 -","- C80 H56 Cu8 F16 N16 Nb4 O12 -","4","0.5","KU3104","Zhong, Zhi-Guo; Feng, Yu-Quan; Zhang, Ping","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","Acta Crystallographica Section C","2013","69","8","833","836","10.1107/S0108270113018064","","","0.71073","MoKα","","0.0217","0.0206","","","0.0572","0.0579","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019083","11.379","0.002","15.174","0.003","5.8453","0.0011","90","","101.447","0.003","90","","989.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>'}nickel(II)","","- C24 H22 N4 Ni -","- C24 H22 N4 Ni -","- C48 H44 N8 Ni2 -","2","0.5","LG3114","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}nickel(II): a supramolecular structure formed by C—H···π hydrogen bonds","Acta Crystallographica Section C","2013","69","8","851","854","10.1107/S0108270113018118","","","0.71073","MoKα","","0.0651","0.0434","","","0.0805","0.088","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019084","5.2113","0.001","20.355","0.004","6.7616","0.0013","90","","109.045","0.002","90","","678","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","","- C4 H4 Ag2 O4 S -","- C4 H4 Ag2 O4 S -","- C16 H16 Ag8 O16 S4 -","4","1","QS3025","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","Acta Crystallographica Section C","2013","69","8","826","828","10.1107/S0108270113017319","","","0.71073","MoKα","","0.0402","0.039","","","0.1188","0.1201","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019085","18.335","0.007","18.335","0.007","5.141","0.002","90","","90","","90","","1728.3","1.2","105","2","105","2","","","","","","","","4","I 4","I 4","79","Abu-Ser, N-(L-2-aminobutyryl)-L-serine","(<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C56 H112 N16 O32 -","8","1","QS3026","Görbitz, Carl Henrik; Yadav, Vitthal N.","An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine","Acta Crystallographica Section C","2013","69","8","888","891","10.1107/S0108270113017484","","","0.71073","MoKα","","0.0863","0.08","","","0.1922","0.195","","","","","","1.301","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019086","11.355","0.002","20.025","0.004","10.4124","0.0008","90","","110.03","0.009","90","","2224.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.09","0.0502","","","0.1134","0.136","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019087","16.565","0.003","6.9529","0.0005","21.01","0.004","90","","110.465","0.011","90","","2267.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-5-(4-chlorophenyl)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxooctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H23 Cl N4 O4 -","- C25 H23 Cl N4 O4 -","- C100 H92 Cl4 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.1161","0.0536","","","0.0931","0.1144","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019088","14.374","0.003","15.875","0.003","17.235","0.003","90","","94.019","0.004","90","","3923.1","1.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[2-(Aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>'][chlorido/trifluoromethanesulfonato(0.91/0.09)][(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethanesulfonate dichloromethane 0.91-solvate,","","- C41 H37.83 Cl2.74 F3.26 N3 O3.26 P Ru S1.09 -","- C41 H37.828 Cl2.742 F3.258 N3 O3.258 P Ru S1.086 -","- C164 H151.312 Cl10.968 F13.032 N12 O13.032 P4 Ru4 S4.344 -","4","1","SF3205","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael E.","A mixed chloride/trifluoromethanesulfonate ligand species in a ruthenium(II) complex","Acta Crystallographica Section C","2013","69","8","859","861","10.1107/S0108270113019057","","","0.71073","MoKα","","0.0521","0.0342","","","0.0746","0.0816","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019089","6.483","0.007","21.36","0.03","17.56","0.02","90","","90.96","0.03","90","","2431","5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-(hydrazinyl)quinoxaline","","- C15 H12 N4 -","- C15 H12 N4 -","- C120 H96 N32 -","8","2","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.2197","0.1491","","","0.3226","0.3704","","","","","","1.207","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019090","6.687","0.0007","7.2591","0.0008","13.815","0.0016","77.957","0.006","77.357","0.006","75.56","0.005","625.19","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C30 H22 Cl2 N8 -","2","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.1123","0.1076","","","0.3071","0.3089","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019091","32.14","0.05","6.882","0.009","12.45","0.018","90","","108.43","0.03","90","","2613","7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C120 H88 Cl8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.069","0.0657","","","0.1341","0.1356","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019092","11.6658","0.0006","10.0515","0.0005","11.7575","0.0008","90","","104.818","0.007","90","","1332.82","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0373","0.0321","","","0.0827","0.0856","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019093","6.9712","0.001","12.637","0.0017","30.182","0.004","90","","90","","90","","2658.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(2-(2-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0424","0.0373","","","0.0847","0.0878","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019094","32.781","0.017","6.875","0.003","12.466","0.006","90","","109.096","0.011","90","","2655","2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0495","0.0476","","","0.0948","0.0957","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019095","12.002","0.005","9.17","0.003","12.617","0.005","90","","100.004","0.006","90","","1367.5","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C60 H44 Br4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0658","0.0622","","","0.111","0.1126","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019096","5.53651","0.00011","8.1058","0.0003","9.1108","0.0002","98.086","0.002","102.085","0.0016","101.499","0.0019","384.624","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]","","- C2 H8 N Na O6 P2 -","- C2 H8 N Na O6 P2 -","- C4 H16 N2 Na2 O12 P4 -","2","1","SK3495","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study","Acta Crystallographica Section C","2013","69","8","815","818","10.1107/S0108270113016491","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019097","11.1132","0.0004","5.4109","0.0002","13.1888","0.0005","90","","106.37","0.002","90","","760.92","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","","- C18 H16 N2 O4 Zn -","- C18 H16 N2 O4 Zn -","- C36 H32 N4 O8 Zn2 -","2","0.5","SK3496","Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis","Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","2013","69","8","868","871","10.1107/S0108270113018386","","","1.54178","CuKα","","0.0392","0.0338","","","0.0885","0.0912","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019098","7.7417","0.0002","10.8543","0.0003","12.5527","0.0003","109.463","0.001","90.615","0.001","101.884","0.001","969.62","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~6~-3-(3,5-dicarboxylatobenzyloxy)benzoato](dimethylformamide)-μ-hydroxido-dizinc(II)]","","- C19 H17 N O9 Zn2 -","- C19 H17 N O9 Zn2 -","- C38 H34 N2 O18 Zn4 -","2","1","SK3498","Patra, Ranjan; Goldberg, Israel","A three-dimensional coordination polymer of 3-(3,5-dicarboxybenzyloxy)benzoic acid with zinc","Acta Crystallographica Section C","2013","69","8","819","821","10.1107/S0108270113017204","","","0.71073","MoKα","","0.0383","0.0271","","","0.0543","0.0568","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019099","3.8393","0.0001","18.3309","0.0004","16.4738","0.0004","90","","96.212","0.002","90","","1152.58","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[(4-Carboxy-3-hydroxyphenyl)iminiumyl]methyl}phenolate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3499","Júnior, Anderson A. B. C.; De Carvalho, Gustavo S. G.; Marques, Lippy F.; Corrêa, Charlane C.; Da Silva, Adilson D.; Machado, Flávia C.","The zwitterionic structure of 2-hydroxy-4-[(2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section C","2013","69","8","934","936","10.1107/S0108270113018143","","","0.71073","MoKα","","0.0445","0.037","","","0.1034","0.1118","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019100","8.9867","0.0018","20.669","0.004","14.856","0.003","90","","93.545","0.004","90","","2754.2","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.0574","0.0508","","","0.1135","0.1186","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019101","14.614","0.013","23.95","0.02","8.125","0.007","90","","102.069","0.017","90","","2781","4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.1177","0.0891","","","0.1471","0.1605","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019102","8.46","0.005","9.162","0.005","15.506","0.005","90","","98.097","0.005","90","","1189.9","1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(perchlorato-κ<i>O</i>)copper(II)","","- C16 H36 Cl2 Cu N4 O8 -","- C16 H36 Cl2 Cu N4 O8 -","- C32 H72 Cl4 Cu2 N8 O16 -","2","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71069","MoKα","","0.0655","0.0433","","","0.1071","0.1214","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019103","12.9252","0.0009","11.7664","0.0005","15.5628","0.001","90","","113.352","0.008","90","","2173","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(nitrato-κ<i>O</i>)zinc(II)","","- C16 H36 N6 O6 Zn -","- C16 H36 N6 O6 Zn -","- C64 H144 N24 O24 Zn4 -","4","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0783","0.0479","","","0.1086","0.1274","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019104","14.035","0.0004","11.6288","0.0002","13.8132","0.0004","90","","111.255","0.003","90","","2101.1","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido(<i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) chloride","","- C16 H38 Cl2 Cu N4 O -","- C16 H38 Cl2 Cu N4 O -","- C64 H152 Cl8 Cu4 N16 O4 -","4","1","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0539","0.0385","","","0.0888","0.0976","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019105","10.0424","0.0002","42.9871","0.0011","7.493","0.0002","90","","90","","90","","3234.68","0.14","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","Bis(2-aminoanilinium) fumarate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","1","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0626","0.0493","","","0.1281","0.1403","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019106","9.4576","0.0003","20.8915","0.0006","10.8787","0.0003","90","","92.611","0.002","90","","2147.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methylanilinium hydrogen fumarate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0627","0.0439","","","0.1182","0.1303","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019107","9.2335","0.0004","23.8248","0.0011","10.4424","0.0005","90","","94.338","0.002","90","","2290.6","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloroanilinium hydrogen fumarate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C80 H80 Cl8 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0652","0.0425","","","0.1085","0.1224","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019108","10.6408","0.0005","15.8571","0.0004","24.8678","0.0009","90","","93.534","0.004","90","","4188","0.3","289","2","289","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea","","- C19 H21 N3 O4 S -","- C19 H21 N3 O4 S -","- C152 H168 N24 O32 S8 -","8","2","UK3071","Bambi-Nyanguile, Sylvie-Mireille; Mangwala Kimpende, Peter; Pirotte, Bernard; Van Meervelt, Luc","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA~2~ receptor antagonist","Acta Crystallographica Section C","2013","69","8","901","903","10.1107/S010827011301771X","","","0.71073","MoKα","","0.0989","0.0733","","","0.1633","0.1742","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019109","10.3408","0.0005","6.8658","0.0003","30.066","0.0017","90","","97.743","0.005","90","","2115.16","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate","","- C32 H40 Co O26 Rb2 -","- C32 H40 Co O26 Rb2 -","- C64 H80 Co2 O52 Rb4 -","2","0.5","WQ3035","Poleti, Dejan; Rogan, Jelena","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate and coordination modes of the hydrogen phthalate anion","Acta Crystallographica Section C","2013","69","8","841","846","10.1107/S0108270113016788","","","0.71073","MoKα","","0.083","0.0563","","","0.1043","0.1151","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019110","12.879","0.003","13.485","0.003","21.364","0.004","79.74","0.03","86.82","0.03","68.92","0.03","3406.5","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amime} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","","- C48 H58 Cd5 Cl16 N14 O5 -","- C48 H58 Cd5 Cl16 N14 O5 -","- C96 H116 Cd10 Cl32 N28 O10 -","2","1","WQ3037","Yu, Chun-Hua; Zhu, Run-Qiang; Jin, Yu; Liu, Ming-Liang; Jin, Lei","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amine} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","Acta Crystallographica Section C","2013","69","8","811","814","10.1107/S0108270113016557","","","0.71073","MoKα","","0.052","0.0395","","","0.072","0.0759","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019111","15.6531","0.0017","8.7619","0.0009","17.4895","0.0018","90","","106.316","0.005","90","","2302.1","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(η^6^-<i>p</i>-Cymene)(difluorophosphinato-κ<i>O</i>){2-[(<i>1</i>H-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}ruthenium(II) hexafluorophosphate tetrafluoroborate (1/0.86/0.14)","","- C19 H23 B0.15 F7.71 N3 O2 P1.85 Ru -","- C19 H23 B0.146 F7.708 N3 O2 P1.854 Ru -","- C76 H92 B0.584 F30.832 N12 O8 P7.416 Ru4 -","4","1","WQ3041","Guzei, Ilia A.; Dolinar, Brian S.; Khumalo, Nozipho; Darkwa, James","Positional and compositional disorder in a ruthenium(II) piano-stool complex","Acta Crystallographica Section C","2013","69","8","847","850","10.1107/S0108270113017605","","","1.54178","CuKα","","0.0279","0.0236","","","0.0548","0.0566","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019112","7.4502","0.0015","16.337","0.003","30.484","0.006","90","","90","","90","","3710.3","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate]","","- C8 H21 Cd2 Cl5 N2 O5 -","- C8 H21 Cd2 Cl5 N2 O5 -","- C64 H168 Cd16 Cl40 N16 O40 -","8","1","YF3038","Liao, Wei-Qiang; Zhang, Yi","A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain","Acta Crystallographica Section C","2013","69","8","829","832","10.1107/S0108270113017368","","","0.71073","MoKα","","0.0736","0.0461","","","0.0897","0.0987","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019113","7.9422","0.0004","22.0793","0.0011","15.5923","0.0007","90","","96.281","0.004","90","","2717.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) dihydrate","","- C25 H23 Cd N7 O9 -","- C25 H19 Cd N7 O9 -","- C100 H76 Cd4 N28 O36 -","4","1","YF3039","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","The supramolecular structure of a cadmium complex with the new functionalized terpyridine ligand 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (<i>L</i>1): aqua(<i>L</i>1-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II) dihydrate","Acta Crystallographica Section C","2013","69","8","822","825","10.1107/S0108270113017356","","","0.71073","MoKα","","0.1279","0.059","","","0.1122","0.1418","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019114","16.9049","0.0007","7.4168","0.0003","11.7545","0.0005","90","","102.869","0.002","90","","1436.76","0.1","173.2","0.2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","JFB1514","Methyl (1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","QS3027","Bacsa, John; Briones, John","Determination of the electron density in methyl (±)-(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropanecarboxylate using refinements with X-ray scattering factors from wavefunction calculations of the whole molecule","Acta Crystallographica, Section C","2013","69","8","910","914","10.1107/S0108270113017496","","","0.71073","MoKα","","0.053","0.03","","","","0.027","","","","","","1.597","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019115","13.013","0.003","10.265","0.002","9.892","0.002","90","","110.448","0.004","90","","1238.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.1157","0.0561","","","0.1501","0.1894","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019116","11.1481","0.0015","13.1309","0.0018","17.839","0.002","90","","94.474","0.003","90","","2603.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-<i>N</i>-[1-(1-thiophen-2-yl)ethylidene]aniline","","- C14 H15 N S -","- C14 H15 N S -","- C112 H120 N8 S8 -","8","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.0699","0.0481","","","0.1455","0.1727","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019117","12.0523","0.0008","28.1562","0.0019","14.5558","0.001","90","","90.022","0.003","90","","4939.5","0.6","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3<i>S</i>,3a<i>S</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-<i>b</i>]furan-2-one","","- C20 H41 N O6 Si2 -","- C20 H41 N O6 Si2 -","- C160 H328 N8 O48 Si16 -","8","4","EB5024","Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn","A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid","Acta Crystallographica Section C","2013","69","9","1062","1066","10.1107/S0108270113013723","","","1.54178","CuKα","","0.047","0.0465","","","0.1158","0.1164","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019118","30.2283","0.0004","30.2283","0.0004","14.3753","0.0003","90","","90","","90","","13135.4","0.4","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C33 H31 B N9 O3 Tl -","- C33 H31 B N9 O3 Tl -","- C528 H496 B16 N144 O48 Tl16 -","16","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","1.54178","CuKα","","0.033","0.0258","","","0.0652","0.0694","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019119","11.6038","0.0005","12.7036","0.0006","23.0839","0.001","90","","95.201","0.0008","90","","3388.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C27 H43 B N9 O3 Tl -","- C27 H43 B N9 O3 Tl -","- C108 H172 B4 N36 O12 Tl4 -","4","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0823","0.0384","","","0.0576","0.0676","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019120","13.131","0.0015","19.404","0.002","19.771","0.002","97.84","0.002","107.809","0.002","97.599","0.002","4669.8","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl[tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran trisolvate","","- C46 H55 B Cu N9 O7 -","- C46 H55 B Cu N9 O7 -","- C184 H220 B4 Cu4 N36 O28 -","4","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.1026","0.0535","","","0.1214","0.1442","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019121","15.1972","0.0011","15.787","0.0011","34.902","0.003","90","","90","","90","","8373.6","1.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Carbonyl[tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran hemisolvate","","- C30 H47 B Cu N9 O4.5 -","- C30 H47 B Cu N9 O4.5 -","- C240 H376 B8 Cu8 N72 O36 -","8","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0765","0.0499","","","0.1223","0.1351","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019122","8.9432","0.0018","9.8441","0.0018","14.47","0.003","90","","103.632","0.004","90","","1238","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~4~-iminodiacetato-copper(II)sodium(I)]","","- C16 H24 Cu3 N4 Na2 O18 -","- C16 H24 Cu3 N4 Na2 O18 -","- C32 H48 Cu6 N8 Na4 O36 -","2","0.5","EG3129","Wang, Yu-Hong; Song, Rui-Feng; Jiang, Fan","A three-dimensional Cu‒Na heteronuclear coordination polymer based on iminodiacetic acid","Acta Crystallographica Section C","2013","69","9","1026","1029","10.1107/S0108270113022075","","","0.71075","MoKα","","0.0393","0.0306","","","0.0693","0.0728","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019123","12.5489","0.0004","16.456","0.0005","20.9643","0.0006","90","","90","","90","","4329.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Anilino(diphenylphosphoryl)methyl]phenol","","- C25 H22 N O2 P -","- C25 H22 N O2 P -","- C200 H176 N8 O16 P8 -","8","1","EG3131","Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui","2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction","Acta Crystallographica Section C","2013","69","9","1070","1072","10.1107/S0108270113022087","","","0.71073","MoKα","","0.0817","0.0476","","","0.1061","0.1215","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019124","5.6223","0.0009","8.2012","0.0012","33.573","0.005","90","","90","","90","","1548","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Norvalyl-L-phenylalanine","(<i>S</i>)-2-[(<i>S</i>)-2-Aminopentanamido]-3-phenylpropanoic acid dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","EG3133","Görbitz, Carl Henrik; Yadav, Vitthal N.","<i>N</i>-(<small>L</small>-2-Aminopentanoyl)-<small>L</small>-phenylalanine dihydrate, a hydrophobic dipeptide with a nonproteinogenic residue","Acta Crystallographica Section C","2013","69","9","1067","1069","10.1107/S0108270113021914","","","0.71073","MoKα","","0.0919","0.0697","","","0.1158","0.125","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019125","8.1171","0.0002","11.4659","0.0002","18.134","0.0004","84.99","0.002","80.12","0.002","76.538","0.002","1615.04","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II)","","- C15 H15 Cu I N2 O2 -","- C15 H15 Cu I N2 O2 -","- C60 H60 Cu4 I4 N8 O8 -","4","2","FG3291","Diniz, Lorrane; Carvalho, Sandra; Borges, Ruth H. U.; Rodrigues, Bernardo L.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II): a compound with two molecules in the asymmetric unit due to different π‒π interactions","Acta Crystallographica Section C","2013","69","9","1010","1012","10.1107/S0108270113018350","","","0.71073","MoKα","","0.0511","0.0312","","","0.0593","0.0675","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019126","41.357","0.002","3.9369","0.0003","11.4761","0.0005","90","","90","","90","","1868.52","0.19","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒2-(naphthalen-2-yloxy)acetic acid (1/1)","","- C20 H16 Br N3 O3 S -","- C20 H16 Br N3 O3 S -","- C80 H64 Br4 N12 O12 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0675","0.0556","","","0.0837","0.088","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019127","7.5815","0.0006","7.6164","0.0007","29.846","0.002","90","","91.444","0.007","90","","1722.9","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(4-bromophenyl)-1,2,4-thiadiazol-3-ium 3,5-dinitrobenzoate","","- C15 H10 Br N5 O6 S -","- C15 H10 Br N5 O6 S -","- C60 H40 Br4 N20 O24 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0662","0.0463","","","0.0888","0.0969","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019128","14.0594","0.0003","17.1924","0.0003","11.474","0.0002","90","","98.146","0.0007","90","","2745.45","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C60.5 H42.5 I4 N7.5 O5.5 Sn -","- C56 H32 I4 N6 O4 Sn -","- C112 H64 I8 N12 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.0565","0.0399","","","0.1037","0.1098","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019129","14.0712","0.0002","17.2283","0.0003","11.3198","0.0002","90","","98.742","0.001","90","","2712.3","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C58.5 H40.5 I4 N9.5 O5.5 Sn -","- C54 H30 I4 N8 O4 Sn -","- C108 H60 I8 N16 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.042","0.0309","","","0.0657","0.0687","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019130","10.9499","0.0009","13.4234","0.0012","16.8469","0.0015","90","","94.593","0.002","90","","2468.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II)","","- C20 H32 B Cu N7 S2 -","- C20 H32 B Cu N7 S2 -","- C80 H128 B4 Cu4 N28 S8 -","4","1","FG3303","Cañada, Louise Marie C.; Yap, Glenn P. A.; Lim, Patrick John Y.","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II): a new copper(II) dithiocarbamate compound with the classic Tp^Me~2~^ scorpionate","Acta Crystallographica Section C","2013","69","9","977","980","10.1107/S0108270113020192","","","0.71073","MoKα","","0.0488","0.0373","","","0.0977","0.1053","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019131","8.9763","0.0009","7.4575","0.0007","11.0026","0.0011","90","","97.406","0.002","90","","730.38","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-<i>O</i>-β-<i>D</i>-xylopyranosyl β-<i>D</i>-mannopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","FN3140","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-xylopyranosyl β-<small>D</small>-mannopyranoside, a core disaccharide of an antifreeze glycolipid","Acta Crystallographica Section C","2013","69","9","1047","1050","10.1107/S0108270113019021","","","1.54184","CuKα","","0.0264","0.0261","","","0.0687","0.0688","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019132","11.3216","0.001","11.3216","0.0017","9.6946","0.0018","90","","90","","120","","1076.2","0.3","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","sodium tetragermanate","Disodium tetragermanate","","- Ge4 Na2 O9 -","- Ge4 Na2 O9 -","- Ge24 Na12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0316","0.028","","","","0.0549","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019133","11.8461","0.0004","11.8461","0.0004","9.8009","0.0004","90","","90","","120","","1191.1","0.07","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","potassium tetragermanate","Dipotassium tetragermanate","","- Ge4 K2 O9 -","- Ge4 K2 O9 -","- Ge24 K12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0153","0.0143","","","","0.0345","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019134","12.1008","0.0006","12.1008","0.0006","9.8722","0.0005","90","","90","","120","","1251.91","0.11","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","rubidium tetragermanate","Dirubidium tetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0189","0.0174","","","","0.0424","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019135","6.2908","0.0003","12.4043","0.0006","9.2181","0.0005","90","","106.146","0.002","90","","690.94","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium copper","Diammonium hexaaquacopper(II) disulfate","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0244","0.0239","","","0.0693","0.0696","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019136","6.2345","0.0012","12.333","0.003","9.1822","0.0018","90","","105.56","0.03","90","","680.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium/potassium copper","Di(ammonium/potassium) hexaaquacopper(II) disulfate","","- Cu H16.704 K0.824 N1.176 O14 S2 -","- Cu H12 K0.824 N1.176 O14 S2 -","- Cu2 H24 K1.648 N2.352 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0332","0.0301","","","0.0778","0.0791","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019137","13.6822","0.0014","17.0621","0.0018","18.66","0.002","90","","90","","90","","4356.1","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tripp3PH + Cl O4 -","Tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","","- C45 H70 Cl O4 P -","- C45 H70 Cl O4 P -","- C180 H280 Cl4 O16 P4 -","4","1","FN3145","Boeré, René T.; Zhang, Yuankui","A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","Acta Crystallographica Section C","2013","69","9","1051","1054","10.1107/S0108270113020647","","","0.71073","MoKα","","0.0654","0.0388","","","0.0864","0.0965","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019138","7.2555","0.0015","13.931","0.003","16.326","0.003","90","","96.07","0.03","90","","1640.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","","- C13 H22 Cd Cl3 N -","- C13 H22 Cd Cl3 N -","- C52 H88 Cd4 Cl12 N4 -","4","1","FN3146","Sun, Su-Wen; Jin, Lei","A novel pentacoordinated cadmium compound: <i>catena</i>-poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","Acta Crystallographica Section C","2013","69","9","1030","1033","10.1107/S010827011302221X","","","0.71073","MoKα","","0.0326","0.0301","","","0.0743","0.0759","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019139","7.985","0.0003","6.5561","0.0002","9.6727","0.0004","90","","93.655","0.004","90","","505.34","0.03","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","(Hexaaquadichlorido)neodymium(III) chloride","","- Cl3 H12 Nd O6 -","- Cl3 H12 Nd O6 -","- Cl6 H24 Nd2 O12 -","2","0.5","LG3118","Hsieh, Kuan-Ying; Bendeif, El-Eulmi; Pillet, Sebastien; Doudouh, Abdelatif; Schaniel, Dominik; Woike, Theo","Structural reinvestigation of the photoluminescent complex [NdCl~2~(H~2~O)~6~]Cl","Acta Crystallographica Section C","2013","69","9","1002","1005","10.1107/S0108270113021367","","","0.71073","MoKα","","0.0171","0.0156","","","0.0296","0.0302","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019140","11.4739","0.0006","15.9431","0.0007","13.4291","0.0008","90","","114.048","0.007","90","","2243.4","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","","- C56 H42 N4 Ni O8 -","- C56 H42 N4 Ni O8 -","- C112 H84 N8 Ni2 O16 -","2","0.5","SF3203","Guo, Cui-Lian; Yao, Xiao-Qiang; Cheng, Yong-Qiang; Liu, Yan","A three-dimensional polycatenation framework: <i>catena</i>-poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","Acta Crystallographica Section C","2013","69","9","1022","1025","10.1107/S010827011302012X","","","0.71073","MoKα","","0.0667","0.0469","","","0.1134","0.1238","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019141","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tricyclic acyclovir","3-[(2-Hydroxyethoxy)methyl]-6-methyl-6<i>H</i>-imidazol[1,2-<i>a</i>]purin-9(5<i>H</i>)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SF3206","Meepripruk, Montha; Haller, Kenneth J.","Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model","Acta Crystallographica Section C","2013","69","9","1077","1080","10.1107/S0108270113021082","","","0.71073","MoKα","","0.1215","0.055","","","0.1203","0.1371","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019142","19.862","0.006","7.4877","0.0019","14.236","0.005","90","","133.61","0.02","90","","1533","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]","","- C13 H18 N6 O2 S2 -","- C13 H18 N6 O2 S2 -","- C52 H72 N24 O8 S8 -","4","0.5","UK3079","Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon","Acta Crystallographica Section C","2013","69","9","1043","1046","10.1107/S0108270113020465","","","0.71073","MoKα","","0.0536","0.0409","","","0.1025","0.1128","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019143","9.3674","0.0004","12.5367","0.0006","13.315","0.0007","89.912","0.002","72.786","0.002","84.599","0.001","1486.42","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile monosolvate]","","- C32 H33 B Cu F4 N7 -","- C32 H33 B Cu F4 N7 -","- C64 H66 B2 Cu2 F8 N14 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0522","0.047","","","0.1368","0.1414","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019144","9.56","0.007","12.946","0.01","13.849","0.011","90.163","0.01","108.773","0.009","95.518","0.009","1614","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]silver(I)] perchlorate methanol monosolvate]","","- C31 H34 Ag Cl N6 O5 -","- C31 H34 Ag Cl N6 O5 -","- C62 H68 Ag2 Cl2 N12 O10 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0633","0.0444","","","0.107","0.1184","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019145","8.0272","0.0013","17.482","0.003","11.4236","0.0013","90","","118.899","0.008","90","","1403.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)cadmium(II)]-μ-3-(pyridin-2-yl)-5-(1<i>H</i>-1,2,4-triazol-5-yl)-4<i>H</i>-1,2,4-triazol-4-ido]","","- C10 H10 Cd N8 O4 -","- C10 H10 Cd N8 O4 -","- C40 H40 Cd4 N32 O16 -","4","1","WQ3042","Mao, Wen-Zhao; Chen, Jing","A one-dimensional coordination polymer of 5-(pyridin-2-yl)-3,3'-bi(4<i>H</i>-1,2,4-triazole) with Cd(NO~3~)~2~","Acta Crystallographica Section C","2013","69","9","1006","1009","10.1107/S0108270113019999","","","0.71073","MoKα","","0.0299","0.0238","","","0.0568","0.0598","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019146","9.2589","0.0009","16.163","0.0014","16.8728","0.0017","90","","90","","90","","2525","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1-[Bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-\ 1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","","- C19 H25 N6 Na O8 -","- C19 H25 N6 Na O8 -","- C76 H100 N24 Na4 O32 -","4","1","YF3036","Alkorta, Ibon; Elguero, José; García, María Ángeles; López, Concepción; Claramunt, Rosa M.; Andrade, Gabriel A.; Yap, Glenn P. A.","A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","Acta Crystallographica Section C","2013","69","9","972","976","10.1107/S0108270113018969","","","1.54178","CuKα","","0.1984","0.1358","","","0.3387","0.3809","","","","","","1.449","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019147","7.1582","0.0003","10.5984","0.0007","12.1715","0.0007","113.202","0.006","101.233","0.004","98.045","0.004","808.05","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","Serotonin adipate","2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethanaminium 3-carboxypropanoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","YF3040","Rychkov, Denis; Boldyreva, Elena V.; Tumanov, Nikolay A.","A new structure of a serotonin salt: comparison and conformational analysis of all known serotonin complexes","Acta Crystallographica Section C","2013","69","9","1055","1061","10.1107/S0108270113019823","","","0.7107","MoKα","","0.108","0.0514","","","0.0968","0.1205","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019148","8.3637","0.0009","21.493","0.003","13.0968","0.0014","90","","119.941","0.013","90","","2040.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate","","- C22 H24 N2 O7 -","- C22 H23.866 N2 O7 -","- C88 H95.464 N8 O28 -","4","1","YF3044","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate: organic layers of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(16) and <i>R</i>~6~^6^(40) rings linked by tetrameric water aggregates","Acta Crystallographica Section C","2013","69","9","1081","1084","10.1107/S0108270113020908","","","0.71073","MoKα","","0.1003","0.0489","","","0.0992","0.1197","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019149","8.882","0.0005","10.1168","0.0017","14.279","0.003","69.627","0.013","72.298","0.01","84.381","0.011","1145.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine","","- C27 H25 Cl2 N3 -","- C27 H25 Cl2 N3 -","- C54 H50 Cl4 N6 -","2","1","YF3046","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine: sheets built from π-stacked hydrogen-bonded dimers","Acta Crystallographica Section C","2013","69","9","1039","1042","10.1107/S0108270113020246","","","0.71073","MoKα","","0.1252","0.0592","","","0.1363","0.1747","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019150","10.1383","0.0009","10.6676","0.001","13.5193","0.0013","71.919","0.002","88.912","0.002","67.725","0.002","1278.1","0.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","jonyj40","Bis(μ-dimethyl phosphito)-κ^2^<i>P</i>:<i>O</i>;κ^2^<i>O</i>:<i>P</i>-bis{methyl[tris(3,5,-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]rhodium(III)}","","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","1","0.5","YP3031","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","A tris(pyrazolyl)borate rhodium phosphite complex that undergoes an Arbusov-like rearrangement","Acta Crystallographica Section C","2013","69","9","939","942","10.1107/S0108270113015953","","","0.71073","MoKα","","0.0879","0.0607","","","0.1456","0.157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019151","13.3372","0.0005","14.3257","0.0005","18.4712","0.001","90","","97.654","0.0008","90","","3497.8","0.3","184","","184","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H47 B Cu N4 P -","- C36 H47 B Cu N4 P -","- C144 H188 B4 Cu4 N16 P4 -","4","1","YP3032","Fujisawa, Kiyoshi; Noguchi, Naoto; Noguchi, Yuki; Lehnert, Nicolai","[Bis(3,5-diisopropylpyrazol-1-yl-κ<i>N</i>^2^)dihydroborato](triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2013","69","9","943","946","10.1107/S0108270113015965","","","0.7107","MoKα","","","0.0299","","","","0.0805","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019152","8.3493","0.0005","13.197","0.0007","25.8732","0.0014","85.084","0.001","89.936","0.001","82.957","0.001","2818.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{η^2^-μ-3-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-yl}bis{3-[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-1-yl}digold(I) deuterochloroform disolvate","","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C118 H104 Au4 Cl12 D4 N8 O12 -","2","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0709","0.0498","","","0.1095","0.1211","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019153","8.4064","0.0005","13.3301","0.0007","38.1","0.002","90","","90.651","0.001","90","","4269.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{3-[2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]prop-1-yn-1-yl}aurate(I)","","- C40 H54 Au N13 O2 -","- C40 H54 Au N13 O2 -","- C160 H216 Au4 N52 O8 -","4","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0309","0.0286","","","0.0639","0.0646","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019154","9.5735","0.0004","19.6344","0.0009","8.7321","0.0004","90","","90","","90","","1641.37","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[H2B(3,5-(CF3)2Pz)2]Tl","{Bis[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C10 H4 B F12 N4 Tl -","- C10 H4 B F12 N4 Tl -","- C40 H16 B4 F48 N16 Tl4 -","4","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0177","0.0169","","","0.0413","0.0415","","","","","","1.134","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019155","8.1068","0.0004","15.1155","0.0008","9.1676","0.0005","90","","100.034","0.001","90","","1106.2","0.1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[HB(3,5-(CF3)2Pz)3]Tl","{Tris[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C15 H4 B F18 N6 Tl -","- C15 H4 B F18 N6 Tl -","- C30 H8 B2 F36 N12 Tl2 -","2","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0269","0.0263","","","0.0679","0.0684","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019156","9.891","0.0003","17.7415","0.0005","16.166","0.0005","90","","92.016","0.002","90","","2835.07","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(II)","","- C27 H38 B Co N9 -","- C27 H38 B Co N9 -","- C108 H152 B4 Co4 N36 -","4","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.0891","0.043","","","0.0896","0.1065","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019157","10.1553","0.0014","12.3593","0.0018","12.8113","0.0017","82.35","0.009","69.88","0.01","85.26","0.01","1495.2","0.4","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(III)","","- C27 H38 B Co N12 -","- C27 H38 B Co N12 -","- C54 H76 B2 Co2 N24 -","2","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.1562","0.0599","","","0.1071","0.1425","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019158","14.2713","0.0019","11.9298","0.0017","16.8543","0.0012","90","","104.919","0.008","90","","2772.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato]chloridozinc(II)","","- C24 H39 Cl N4 S2 Zn -","- C24 H39 Cl N4 S2 Zn -","- C96 H156 Cl4 N16 S8 Zn4 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0438","0.0273","","","0.0666","0.0745","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019159","12.4026","0.0003","16.3932","0.0004","17.8867","0.0004","90","","105.013","0.002","90","","3512.56","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate","","- C32 H55 Li N4 O2 S2 -","- C32 H55 Li N4 O2 S2 -","- C128 H220 Li4 N16 O8 S8 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0903","0.0538","","","0.1342","0.1551","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019160","17.1939","0.0007","13.3487","0.0005","7.7658","0.0003","90","","90","","90","","1782.38","0.12","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C15 H22 B In N6 -","- C15 H22 B In N6 -","- C60 H88 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0294","0.0264","","","0.0737","0.0757","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019161","16.6414","0.0008","15.8504","0.0007","10.3779","0.0005","90","","90","","90","","2737.4","0.2","125","2","125","2","","","","","","","","5","A m a 2","A 2 -2a","40","","[Tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C24 H40 B In N6 -","- C24 H40 B In N6 -","- C96 H160 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0214","0.0191","","","0.0419","0.0429","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019162","9.517","0.0015","17.753","0.003","19.763","0.003","90","","93.952","0.003","90","","3331.1","0.9","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hydrido[tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]gallium(III) tetrachloridogallium(III),","","- C24 H41 B Cl4 Ga2 N6 -","- C24 H41 B Cl4 Ga2 N6 -","- C96 H164 B4 Cl16 Ga8 N24 -","4","1","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.159","0.0625","","","0.0911","0.1162","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019163","5.5944","0.0004","17.9908","0.0014","18.3844","0.0015","90","","92.22","0.001","90","","1849","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zolmitriptan hydrogen oxalate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium hydrogen oxalate","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","2","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0381","0.0356","","","0.0965","0.0991","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019164","9.5992","0.0015","16.361","0.003","16.927","0.002","90","","90","","90","","2658.4","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zolmitriptan camphor sulfonate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium {2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanesulfonate","","- C26 H37 N3 O6 S -","- C26 H37 N3 O6 S -","- C104 H148 N12 O24 S4 -","4","1","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0761","0.0618","","","0.1264","0.1324","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019165","5.7265","0.0005","28.646","0.002","7.4941","0.0007","90","","100.327","0.009","90","","1209.43","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen oxalate dihydrate","4-Carbamoylpiperidinium hydrogen oxalate dihydrate","","- C8 H18 N2 O7 -","- C8 H18 N2 O7 -","- C32 H72 N8 O28 -","4","1","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0546","0.0418","","","0.1056","0.1102","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019166","5.8454","0.0004","7.7696","0.0005","13.0987","0.0007","75.336","0.005","81.763","0.005","78.448","0.005","561.16","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","isonipecotamide adipate dihydrate","Bis(4-carbamoylpiperidinium) butane-1,4-dicarboxylate dihydrate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0515","0.0348","","","0.0829","0.0876","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019167","12.786","0.003","7.872","0.0018","20.732","0.005","90","","105.573","0.003","90","","2010.1","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C104 H80 N16 O4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0531","0.0438","","","0.1135","0.1217","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019168","17.779","0.003","7.3406","0.0014","18.944","0.004","90","","102.942","0.002","90","","2409.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-2,5-bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole]","","- C26 H20 Cl2 N4 O Zn -","- C26 H20 Cl2 N4 O Zn -","- C104 H80 Cl8 N16 O4 Zn4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0631","0.0429","","","0.1014","0.1112","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019169","11.4108","0.0006","7.1795","0.0004","16.9372","0.0009","90","","95.774","0.001","90","","1380.52","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","","- C9 H8 K2 O11 S -","- C9 H8 K2 O11 S -","- C36 H32 K8 O44 S4 -","4","1","EM3061","Xiong, Wei-Lu; Wang, Yu-Ling; Liu, Qing-Yan","A three-dimensional polymeric potassium complex of 5-sulfonobenzene-1,2,4-tricarboxylic acid: poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","Acta Crystallographica Section C","2013","69","10","1132","1135","10.1107/S0108270113024499","","","0.71073","MoKα","","0.0364","0.0323","","","0.0898","0.0935","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019170","10.9339","0.0007","16.5179","0.0011","11.1325","0.0007","90","","104.114","0.001","90","","1949.9","0.2","186","2","186","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethyl [(4-bromoanilino)(4-ethynylphenyl)methyl]phosphonate","","- C19 H21 Br N O3 P -","- C19 H21 Br N O3 P -","- C76 H84 Br4 N4 O12 P4 -","4","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0478","0.0376","","","0.075","0.0787","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019171","17.3791","0.0016","14.7131","0.0013","20.019","0.003","90","","90.464","0.001","90","","5118.7","1","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C23 H31 Cl N O3 P Si -","- C23 H31 Cl N O3 P Si -","- C184 H248 Cl8 N8 O24 P8 Si8 -","8","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.1453","0.1011","","","0.1648","0.1807","","","","","","1.202","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019172","8.9633","0.0007","11.1726","0.0009","12.6997","0.001","69.98","0.001","87.263","0.001","73.667","0.001","1145.06","0.16","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","Diethyl ((4-fluoroanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C22 H29 F N O3 P Si -","- C22 H29 F N O3 P Si -","- C44 H58 F2 N2 O6 P2 Si2 -","2","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0928","0.0612","","","0.1345","0.1475","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019173","11.3104","0.001","11.5194","0.001","17.8485","0.0016","82.703","0.001","81.943","0.001","64.035","0.001","2064.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-ethynylphenyl)(naphthalen-2-ylamino)methyl]phosphonate","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C92 H96 N4 O12 P4 -","4","2","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.117","0.0752","","","0.1401","0.1555","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019174","13.808","0.004","10.704","0.003","9.183","0.002","90","","90.241","0.004","90","","1357.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C8 H22 Mg O8 -","- C8 H22 Mg O8 -","- C32 H88 Mg4 O32 -","4","1","FG3307","Malaestean, Iurie L.; Schmitz, Sebastian; Ellern, Arkady; Kögerler, Paul","<!?tlsb=-0.06pt>Zigzag polymer chains in <i>catena</i>-poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section C","2013","69","10","1144","1146","10.1107/S0108270113025043","","","0.71073","MoKα","","0.0701","0.042","","","0.0824","0.0924","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019175","11.6678","0.0012","16.6283","0.0017","17.8362","0.0018","90","","97.368","0.002","90","","3431.9","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-Methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H11 F5 N4 O -","- C17 H11 F5 N4 O -","- C136 H88 F40 N32 O8 -","8","2","FN3154","Alvarez-Thon, Luis; Bustos, Carlos; Espinoza-Santibañez, Katherina; Garland, Maria Teresa; Baggio, Ricardo","Dimers linked by type-I C—F···F—C contacts in (<i>Z</i>)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2013","69","10","1200","1204","10.1107/S0108270113024943","","","0.71073","MoKα","","0.0879","0.0421","","","0.1061","0.123","","","","","","0.916","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019176","33.661","0.007","5.1236","0.0011","20.232","0.004","90","","113.93","0.002","90","","3189.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate","","- C12 H19 Cl N4 O5 -","- C12 H19 Cl N4 O5 -","- C96 H152 Cl8 N32 O40 -","8","1","KU3105","Zhang, Heng; Chang, Liangliang; Wang, Na; Xuan, Xiaopeng","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions","Acta Crystallographica Section C","2013","69","10","1173","1176","10.1107/S0108270113023676","","","0.71073","MoKα","","0.0562","0.0371","","","0.086","0.0974","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019177","9.31165","0.00009","4.62854","0.00005","15.81663","0.00016","90","","90","","90","","681.686","0.012","298","2","298","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0211","0.019","","","","0.047","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019178","9.3044","0.0005","4.6253","0.0002","15.8331","0.0008","90","","90","","90","","681.39","0.06","90","1","90","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0158","0.0151","","","","0.0379","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019179","9.3081","0.0006","4.6267","0.0003","15.8298","0.0011","90","","90","","90","","681.72","0.08","150","1","150","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.016","0.0153","","","","0.0372","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019180","31.286","0.003","33.409","0.003","14.3488","0.0012","90","","90","","90","","14998","2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Al-complex","Tris(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C39 H57 Al N6 -","- C39 H57 Al N6 -","- C624 H912 Al16 N96 -","16","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0819","0.0496","","","0.078","0.0866","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019181","19.205","0.001","16.4832","0.0009","17.8498","0.001","90","","106.287","0.001","90","","5423.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AlCl-complex","Chloridobis(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C26 H38 Al Cl N4 -","- C26 H38 Al Cl N4 -","- C208 H304 Al8 Cl8 N32 -","8","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0772","0.0463","","","0.082","0.0896","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019182","22.042","0.004","16.007","0.003","12.852","0.002","90","","115.396","0.002","90","","4096.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Amidinate Aluminium Chloride","Chloridobis(<i>N</i>,<i>N</i>'-dicyclohexylbenzimidamido)aluminium(III) tetrahydrofuran 0.675-solvate","","- C40.7 H59.4 Al Cl N4 O0.68 -","- C38 H54 Al Cl N4 -","- C152 H216 Al4 Cl4 N16 -","4","0.5","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0417","0.0373","","","0.0799","0.0818","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019183","12.472","0.004","12.76","0.004","14.192","0.004","76.778","0.005","80.258","0.005","68.709","0.004","2039.4","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[aquabis(μ~3~-2,2'-{[1,2-phenylenebis(methylene)]bis(sulfanediyl)}dibenzoato)dicadmium(II)]","","- C44 H34 Cd2 O9 S4 -","- C44 H34 Cd2 O9 S4 -","- C88 H68 Cd4 O18 S8 -","2","1","KY3038","Deng, Yong-Kai; Yan, Zhi-Hao; Sun, Di","A one-dimensional cadmium metal‒organic chain based on a [Cd~4~(COO)~4~] secondary building unit and a flexible dicarboxylic acid ligand","Acta Crystallographica Section C","2013","69","10","1147","1151","10.1107/S0108270113025699","","","0.71073","MoKα","","0.0818","0.0434","","","0.094","0.1119","","","","","","0.964","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019184","8.5997","0.0005","11.1264","0.0006","11.6962","0.0006","85.02","0.004","85.72","0.004","74.647","0.005","1073.57","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","","- C20 H23 Cu N3 O9 -","- C20 H23 Cu N3 O9 -","- C40 H46 Cu2 N6 O18 -","2","1","LG3119","Zamisa, Sizwe J.; Ndungu, Patrick; Omondi, Bernard","The double-stranded ladder-like structure of poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","Acta Crystallographica Section C","2013","69","10","1100","1103","10.1107/S0108270113023093","","","1.54184","CuKα","","0.0386","0.0342","","","0.0939","0.0989","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019185","9.7282","0.0006","24.9148","0.0016","10.0307","0.0006","90","","108.618","0.001","90","","2304","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H19 Cl2 I N6 O3 -","- C19 H19 Cl2 I N6 O3 -","- C76 H76 Cl8 I4 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.0348","0.0293","","","0.0734","0.0766","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019186","9.3976","0.0012","24.904","0.003","10.2105","0.0014","90","","108.976","0.003","90","","2259.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H22 Cl2 N6 O3 -","- C20 H22 Cl2 N6 O3 -","- C80 H88 Cl8 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.087","0.0706","","","0.1509","0.1593","","","","","","1.19","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019187","10.0227","0.0005","10.5507","0.0005","12.5359","0.0006","81.858","0.001","71.888","0.001","70.009","0.001","1183.1","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl2 N8 O8 -","- C19 H18 Cl2 N8 O8 -","- C38 H36 Cl4 N16 O16 -","2","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.062","0.0556","","","0.1595","0.1663","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019188","33.4368","0.0005","6.049","0.0001","14.6066","0.0002","90","","108.034","0.001","90","","2809.18","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C128 H96 N32 S8 -","8","1","LG3122","Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.","The six-membered-ring azomethine <i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","Acta Crystallographica Section C","2013","69","10","1196","1199","10.1107/S0108270113024566","","","0.71073","MoKα","","0.0382","0.0361","","","0.0917","0.0937","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019189","17.183","0.005","9.482","0.003","20.058","0.007","90","","110.42","0.01","90","","3062.7","1.7","297","2","297","2","","","","","","","","6","C 1 2 1","C 2y","5","Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3].5H2O","tricaesium sodium iron(III) μ~3~-oxido-hexa-μ~2~-sulfato-tris[aquairon(III)] pentahydrate","","- Cs2.91 Fe3.25 H16 Na1.34 O33 S6 -","- Cs2.911 Fe3.25 H16 Na1.339 O33 S6 -","- Cs11.644 Fe13 H64 Na5.356 O132 S24 -","4","1","OV3034","Mereiter, Kurt","Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family","Acta Crystallographica Section C","2013","69","10","1085","1090","10.1107/S0108270113023275","","","0.71073","MoKα","","0.0358","0.0279","","","0.0513","0.0535","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019190","7.7253","0.0004","8.6778","0.0005","11.5759","0.0007","72.136","0.005","87.59","0.004","75.671","0.004","715.16","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazine-Gabapentin","2-{1-[(Pyrazin-2-ylformamido)methyl]cyclohexyl}acetic acid","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","QS3028","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","<i>C</i>~5~ and <i>C</i>~7~ intramolecular hydrogen bonds stabilize the structure of <i>N</i>-pyrazinoyl-gabapentin (Pyr-Gpn-OH)","Acta Crystallographica Section C","2013","69","10","1170","1172","10.1107/S0108270113021781","","","0.71073","MoKα","","0.0889","0.0496","","","0.1174","0.1614","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019191","11.156","0.002","14.659","0.003","15.887","0.003","90","","96.07","0.03","90","","2583.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]","","- C14 H26 Mn3 N2 O21 -","- C14 H26 Mn3 N2 O21 -","- C56 H104 Mn12 N8 O84 -","4","0.5","SF3207","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Notash, Behrouz","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear Mn^II^ complex of chelidamic acid","Acta Crystallographica Section C","2013","69","10","1140","1143","10.1107/S0108270113025006","","","0.71073","MoKα","","0.0553","0.0397","","","0.0837","0.0885","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019192","11.3701","0.0003","12.7057","0.0003","16.3139","0.0004","90","","100.896","0.002","90","","2314.3","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","","- C25 H20 F6 N4 O Si Zn -","- C25 H20 F6 N4 O Si Zn -","- C100 H80 F24 N16 O4 Si4 Zn4 -","4","1","SK3504","Seidel, Rüdiger W.; Dietz, Christina; Breidung, Jürgen; Goddard, Richard; Oppel, Iris M.","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","Acta Crystallographica Section C","2013","69","10","1112","1115","10.1107/S0108270113023007","","","0.71073","MoKα","","0.0466","0.0306","","","0.0655","0.0713","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019193","9.4245","0.0014","10.6605","0.0016","18.405","0.003","80.2989","0.0019","85.094","0.002","78.1155","0.0019","1781.2","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","2","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.0875","0.049","","","0.126","0.1492","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019194","23.9715","0.0014","9.5669","0.0016","18.2303","0.0012","90","","119.256","0.003","90","","3647.5","0.7","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","","- Ct H20 N2 O2 wo23 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.1186","0.045","","","0.0862","0.1093","","","","","","0.963","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019195","11.757","0.004","16.145","0.006","17.376","0.006","92.254","0.005","91.897","0.006","110.427","0.005","3084.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(diacetyl)bis(2-mercaptoanil)zinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","","- C65.18 H60.36 N8 O S8.18 Zn4 -","- C65.181 H60.362 N8 O S8.181 Zn4 -","- C130.362 H120.724 N16 O2 S16.362 Zn8 -","2","1","SK3509","Luck, Rudy L.; Olds, Travis A.; Zeller, Matthias","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Acta Crystallographica Section C","2013","69","10","1116","1119","10.1107/S0108270113023524","","","0.71069","MoKα","","0.1062","0.0659","","","","0.1157","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019196","9.5651","0.001","16.6002","0.0017","11.3351","0.0012","90","","108.4","0.001","90","","1707.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]]","","- C33 H32 Co N10 O4 S2 -","- C33 H32 Co N10 O4 S2 -","- C66 H64 Co2 N20 O8 S4 -","2","1","WQ3046","Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2013","69","10","1096","1099","10.1107/S010827011302297X","","","0.71073","MoKα","","0.041","0.0338","","","0.0783","0.0826","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019197","6.5322","0.0008","30.456","0.004","7.2856","0.0007","90","","91.223","0.003","90","","1449.1","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)]","","- C14 H12 N2 Ni O7 -","- C14 H12 N2 Ni O7 -","- C56 H48 N8 Ni4 O28 -","4","1","WQ3047","Chen, Man-Sheng; Xu, Jin-Sheng; Deng, Yi-Fang; Zhang, Chun-Hua","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)] displaying an <b>sra</b> topology","Acta Crystallographica Section C","2013","69","10","1124","1127","10.1107/S0108270113023846","","","0.71073","MoKα","","0.0628","0.0588","","","0.146","0.1472","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019198","8.0676","0.0016","8.8427","0.0018","9.0977","0.0018","105.64","0.03","105.18","0.03","98.56","0.03","586.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[trimethylsulfonium [μ~2~-chlorido-di-μ~2~-thiocyanato-cadmate(II)]]","","- C5 H9 Cd Cl N2 S3 -","- C5 H9 Cd Cl N2 S3 -","- C10 H18 Cd2 Cl2 N4 S6 -","2","1","WQ3048","Liu, Ming-Liang","A trimethylsulfonium salt with a novel polymeric cadmate anion","Acta Crystallographica Section C","2013","69","10","1128","1131","10.1107/S0108270113023901","","","0.71073","MoKα","","0.0578","0.0444","","","0.1083","0.115","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019199","10.531","0.003","14.714","0.005","11.675","0.004","90","","104.457","0.004","90","","1751.8","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-iodopyridinium bromide hemihydrate","","- C5 H7 Br I N2 O0.5 -","- C5 H7 Br I N2 O0.5 -","- C40 H56 Br8 I8 N16 O4 -","8","2","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0256","0.0222","","","0.0491","0.05","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019200","4.177","0.002","12.972","0.007","17.601","0.01","90","","94.904","0.011","90","","950.2","0.9","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-iodopyridinium chloride monohydrate hydrochloric acid 0.375-solvate","","- C5 H8.375 Cl1.375 I N2 O -","- C5 H8.39 Cl1.38 I N2 O1.01 -","- C20 H33.56 Cl5.52 I4 N8 O4.04 -","4","1","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0243","0.0224","","","0.0595","0.0608","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019201","11.3673","0.0002","9.5997","0.0002","28.6571","0.0005","90","","90","","90","","3127.14","0.1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","","- C10 H22 Cl4 N2 Zn -","- C10 H22 Cl4 N2 Zn -","- C80 H176 Cl32 N16 Zn8 -","8","1","CU3034","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","Acta Crystallographica Section C","2013","69","11","1304","1306","10.1107/S0108270113026267","","","1.54184","CuKα","","0.0227","0.0216","","","0.055","0.0557","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019202","15.0087","0.0003","15.0087","","19.1943","0.0004","90","","90","","120","","3744.46","0.11","295","","295","","","","","","","","","4","R -3","-R 3","148","","Nonasodium scandium hexakis[tetraoxidomolybdate(II)]","","- Mo6 Na9 O24 Sc -","- Mo6 Na9 O24 Sc -","- Mo36 Na54 O144 Sc6 -","6","","CU3037","Savina, Aleksandra A.; Morozov, Vladimir A.; Basovich, Olga M.; Khaikina, Elena G.; Lazoryak, Bogdan I.","The double molybdate Na~9~Sc(MoO~4~)~6~ refined from powder XRD data","Acta Crystallographica Section C","2013","69","11","1301","1303","10.1107/S010827011302862X","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019203","8.4341","0.0013","12.445","0.002","9.6449","0.0015","90","","90","","90","","1012.4","0.3","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium ytterbium tetraborohydride","","- B4 H16 K Yb -","- B4 H16 K Yb -","- B16 H64 K4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0204","0.0204","","0.0235","0.0235","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019204","8.438","0.004","12.057","0.006","9.057","0.004","90","","90","","90","","921.4","0.8","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium ytterbium tetraborohydride","","- B4 H16 Na Yb -","- B4 H16 Na Yb -","- B16 H64 Na4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0156","0.0156","","0.019","0.019","","","","2.25","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019205","7.235","0.002","7.282","0.002","13.512","0.004","88.714","0.005","85.131","0.005","67.239","0.005","654","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dinitro-<i>N</i>-(2-phenylethyl)aniline","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C28 H26 N6 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0647","0.04","","","0.0929","0.1037","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019206","8.1121","0.0007","10.1819","0.0008","13.1018","0.0011","93.466","0.001","106.595","0.001","106.932","0.001","979.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4-dinitro-1,5-bis-N-(2-phenylethyl)aminobenzene","4,6-Dinitro-<i>N</i>,<i>N</i>'-bis(2-phenylethyl)benzene-1,3-diamine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0601","0.0427","","","0.1105","0.1207","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019207","7.4871","0.0005","16.27","0.001","10.8432","0.0007","90","","94.384","0.001","90","","1317","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-cyano-4-nitro-N-(2-phenylethyl)aniline","2-cyano-4-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0429","0.0378","","","0.108","0.1129","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019208","20.4639","0.0013","20.4639","0.0013","14.3952","0.0014","90","","90","","90","","6028.3","0.8","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-(methylsulfonyl)-2-nitro-N-(2-phenylethyl)aniline","4-(methylsulfonyl)-2-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C240 H256 N32 O64 S16 -","16","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0312","0.029","","","0.0842","0.0863","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019209","10.874","0.004","22.702","0.008","9.137","0.003","90","","106.701","0.008","90","","2160.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(II)-μ-[2-({2-[2-(naphthalen-2-yloxy)-1-oxidoethylidene]hydrazin-1-ylidene}methyl)phenolato]] dimethylformamide monosolvate monohydrate]","","- C22 H23 Cu N3 O5 -","- C22 H23 Cu N3 O5 -","- C88 H92 Cu4 N12 O20 -","4","1","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.075","0.0423","","","0.0938","0.1056","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019210","10.978","0.005","11.653","0.005","12.276","0.008","80.87","0.02","64.41","0.02","74.069","0.016","1360.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1<i>H</i>-imidazole)bis[μ-2-oxido-<i>N</i>'-(1-oxido-2-phenoxyethylidene)benzohydrazidato]trinickel(II) dimethylformamide tetrasolvate","","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","1","0.5","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.0807","0.0453","","","0.0988","0.1105","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019211","13.6714","0.0008","17.0453","0.0017","11.2195","0.0011","90","","93.361","0.007","90","","2610","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoroborate","","- C26 H24 B Cu F4 N7 -","- C26 H24 B Cu F4 N7 -","- C104 H96 B4 Cu4 F16 N28 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0714","0.0445","","","0.1122","0.1236","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019212","13.6977","0.0011","16.9837","0.0017","11.3416","0.0013","90","","93.146","0.01","90","","2634.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C26 H24 Cl Cu N7 O4 -","- C26 H24 Cl Cu N7 O4 -","- C104 H96 Cl4 Cu4 N28 O16 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0476","0.0309","","","0.0908","0.0943","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019213","9.8498","0.0002","12.9871","0.0003","18.8001","0.0004","83.7705","0.0018","89.3525","0.0018","85.699","0.0017","2383.97","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","","- C54 H36 Fe N14 O5 -","- C54 H36 Fe N14 O5 -","- C108 H72 Fe2 N28 O10 -","2","1","FG3309","Setifi, Zouaoui; Domasevitch, Konstantin V.; Setifi, Fatima; Mach, Pavel; Ng, Seik Weng; Petříček, Vaclav; Dušek, Michal","Multiple anion···π interactions in tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","Acta Crystallographica Section C","2013","69","11","1351","1356","10.1107/S0108270113027108","","","0.71073","MoKα","","0.0485","0.0387","","","0.09","0.0971","","","","","","1.023","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019214","8.2871","0.0002","30.7094","0.0006","12.1783","0.0002","90","","107.289","0.002","90","","2959.25","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]aquacadmium(II)]-μ-4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]","","- C28 H24 Cd N8 O5 S2 -","- C28 H24 Cd N8 O5 S2 -","- C112 H96 Cd4 N32 O20 S8 -","4","1","FG3310","Zhao, Xiu-Hua; Zhao, Ya-Yun; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Synthesis, crystal structure and fluorescence spectrum of a cadmium(II) sulfaquinoxaline complex","Acta Crystallographica Section C","2013","69","11","1332","1335","10.1107/S010827011302711X","","","1.54184","CuKα","","0.0284","0.0248","","","0.0606","0.0627","","","","","","1.066","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019215","7.9753","0.0011","8.1446","0.0011","11.7776","0.0016","86.829","0.003","81.6","0.003","67.124","0.003","697.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide","2-Methyl-6-{[(2,4,6-trimethylbenzene)sulfonyl]azanidyl}pyridin-1-ium","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","FM3002","Pan, Fangfang; Englert, Ulli","A new polymorph of <i>N</i>-(6-methylpyridin-2-yl)mesitylenesulfonamide","Acta Crystallographica Section C","2013","69","11","1217","1220","10.1107/S0108270113025936","","","0.71073","MoKα","","0.0607","0.0457","","","0.1075","0.1154","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019216","13.662","0.001","12.6329","0.001","13.9651","0.0011","90","","90","","90","","2410.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0661","0.0456","","","0.0899","0.1005","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019217","13.7824","0.0011","12.5795","0.001","14.1313","0.0011","90","","90","","90","","2450","0.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0524","0.0411","","","0.0851","0.0917","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019218","6.1954","0.0004","10.4543","0.0007","14.7654","0.0009","90","","90","","90","","956.33","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-6-aminopenicillanic acid","(2<i>S</i>,5<i>R</i>,6<i>R</i>)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","FM3006","Saouane, Sofiane; Buth, Gernot; Fabbiani, Francesca P. A.","Crystal structure and packing energy calculations of (+)-6-aminopenicillanic acid","Acta Crystallographica Section C","2013","69","11","1238","1242","10.1107/S0108270113025924","","","0.71075","synchrotron","","0.0331","0.0291","","","0.0716","0.0733","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019219","8.233","0.003","11.872","0.004","13.773","0.004","109.61","0.03","95.34","0.03","109.75","0.03","1160.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one‒pyridine-4-carboxamide (1/2)","","- C27 H22 N4 O7 -","- C27 H22 N4 O7 -","- C54 H44 N8 O14 -","2","1","FM3012","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:2 cocrystal of genistein with isonicotinamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2013","69","11","1267","1272","10.1107/S0108270113029545","","","0.71073","MoKα","","0.0755","0.055","","","0.1409","0.1504","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019220","6.834","0.002","16.923","0.003","12.531","0.002","90","","104.882","0.005","90","","1400.6","0.5","99.8","","99.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile","","- C14 H14 N4 O2 S -","- C14 H14 N4 O2 S -","- C56 H56 N16 O8 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0326","0.0316","","","0.0916","0.1003","","","","","","1.175","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019221","4.828","0.0001","16.1865","0.0005","24.3327","0.0007","90","","90","","90","","1901.56","0.09","99.93","","99.93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4,4-Trifluoro-1-{4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butanone","","- C19 H19 F3 N4 O3 S -","- C19 H19 F3 N4 O3 S -","- C76 H76 F12 N16 O12 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0333","0.0298","","","0.0761","0.0788","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019222","10.7027","0.0006","19.853","0.002","9.873","0.002","90","","104.568","0.002","90","","2030.4","0.5","99.85","","99.85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,5,5-Trifluoro-1-{4-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentanone","","- C19 H22 F3 N3 O4 S -","- C19 H22 F3 N3 O4 S -","- C76 H88 F12 N12 O16 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0498","0.0386","","","0.1163","0.1271","","","","","","0.992","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019223","9.4171","0.0006","9.7604","0.0007","13.7949","0.0009","74.708","0.002","86.102","0.002","65.518","0.002","1111.86","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Loxapine succinate monohydrate","Bis[4-(2-chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium] succinate succinic acid monosolvate monohydrate","","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","1","0.5","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","","","0.71073","MoKα","","0.0536","0.0378","","","0.0911","0.0999","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019224","36.1824","0.0005","7.08622","0.00014","18.769","0.0002","90","","113.84","0.001","90","","4401.7","0.12","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Loxapine succinate","4-(2-Chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium 3-carcoxypropanoate","","- C22 H24 Cl N3 O5 -","- C22 H24 Cl N3 O5 -","- C176 H192 Cl8 N24 O40 -","8","1","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.198","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019225","16.3604","0.0013","7.7452","0.0006","14.3658","0.0009","90","","100.911","0.003","90","","1787.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-methylpyridinium) bromanilate","Bis(2-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C72 H64 Br8 N8 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0589","0.0331","","","","0.0803","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019226","8.9526","0.0007","9.6149","0.0008","10.4275","0.0008","90","","103.935","0.004","90","","871.17","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-methylpyridinium) bromanilate","Bis(3-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0288","0.0232","","","","0.0606","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019227","8.1345","0.0008","6.1517","0.0006","17.7868","0.0017","90","","96.177","0.007","90","","884.9","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(4-methylpyridinium) bromanilate","Bis(4-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0528","0.0336","","","","0.0872","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019228","8.2948","0.0002","12.156","0.0004","13.9544","0.0005","90","","102.966","0.002","90","","1371.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Lutidinium bromanilate","2,4-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0539","0.0316","","","","0.0809","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019229","7.7357","0.0004","11.1416","0.0006","15.8011","0.0009","90","","94.269","0.003","90","","1358.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-Lutidinium bromanilate","2,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0913","0.0432","","","","0.1013","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019230","11.6766","0.0005","10.4926","0.0005","11.5221","0.0005","90","","98.834","0.002","90","","1394.92","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Lutidinium bromanilate","3,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0395","0.0271","","","","0.0666","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019231","10.2229","0.0004","5.576","0.0002","24.53","0.0009","90","","95.802","0.003","90","","1391.12","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-4-methylpyridinium bromanilate","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0739","0.0412","","","","0.1013","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019232","4.9786","0.0004","23.181","0.003","12.2811","0.0013","90","","100.794","0.003","90","","1392.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3-Lutidinium bromanilate","2,3-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0425","0.0281","","","","0.065","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019233","5.2866","0.0003","13.3814","0.0008","20.3576","0.0013","90","","91.556","0.004","90","","1439.61","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromo-3-methylpyridine‒bromanilic acid (1/1)","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0714","0.0393","","","","0.0861","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019234","9.092","0.004","29.484","0.012","9.093","0.004","90","","117.04","0.05","90","","2171.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-\ 5-(carboxylatomethoxy)benzoato]manganese(II)]","","- C22 H20 Mn N2 O9 -","- C22 H20 Mn N2 O9 -","- C88 H80 Mn4 N8 O36 -","4","1","FN3147","Lei, Yong-Qian; Wang, Guan-Hua","A two-dimensional network containing an ‒Mn—O—C—O—Mn‒ chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]","Acta Crystallographica Section C","2013","69","11","1311","1313","10.1107/S0108270113025377","","","0.71073","MoKα","","0.1199","0.0734","","","0.1253","0.142","","","","","","1.107","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019235","6.2966","0.0006","25.416","0.004","11.7111","0.0013","90","","90.162","0.008","90","","1874.2","0.4","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","kga1-101-cp. batch 1","1-(1-Hydroxycyclopent-3-en-1-yl)cyclopent-3-ene-1-carbonitrile","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","2","FN3151","Andrews, Keith G.; Frampton, Christopher S.; Spivey, Alan C.","Structural assignment of a bis-cyclopentenyl-β-cyanohydrin formed <i>via</i> alkene metathesis from either a triene or a tetraene precursor","Acta Crystallographica Section C","2013","69","11","1207","1211","10.1107/S010827011302492X","","","1.54178","CuKα","","0.056","0.0447","","","0.1277","0.1413","","","","","","1.007","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019236","8.1142","0.0019","11.94","0.003","16.16","0.004","77.797","0.004","84.782","0.004","88.231","0.004","1523.8","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","μ-1,2-Bis(pyridin-3-yloxy)ethane-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] tetrahydrate","","- C26 H30 Cu2 N4 O16 -","- C26 H30 Cu2 N4 O16 -","- C52 H60 Cu4 N8 O32 -","2","1","FN3155","Ge, Jing-Yuan; Wang, Peng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","A well-resolved cyclic water tetramer in a dinuclear Cu^II^ coordination complex based on 1,2-bis(pyridin-3-yloxy)ethane and capped by pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2013","69","11","1362","1366","10.1107/S0108270113027996","","","0.71073","MoKα","","0.0875","0.0525","","","0.0866","0.0967","","","","","","1.001","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019237","5.5673","0.0007","15.7196","0.0019","18.125","0.002","90","","97.641","0.004","90","","1572.1","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Carbamazepine mesylate","[(5<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0493","0.0365","","","0.0922","0.0981","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019238","5.4477","0.0002","15.734","0.0007","18.5034","0.0008","90","","96.647","0.004","90","","1575.34","0.11","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9,10-Dihydrocarbamazepine mesylate","[(9,10-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0394","0.0324","","","0.084","0.0896","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019239","14.9968","0.0012","5.266","0.0003","20.1911","0.0012","90","","102.191","0.007","90","","1558.6","0.18","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine-trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.05","0.0469","","","0.1327","0.1368","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019240","14.997","0.0003","5.3712","0.0001","20.4441","0.0004","90","","101.529","0.002","90","","1613.58","0.06","270","1","270","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine‒trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.0538","0.0498","","","0.1487","0.1547","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019241","30.2701","0.0008","5.6712","0.0002","14.2997","0.0003","90","","108.167","0.002","90","","2332.43","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-methylanilinium) pentamolybdate","Poly[bis(4-methylanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C14 H20 Mo5 N2 O16 -","- C14 H20 Mo5 N2 O16 -","- C56 H80 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.5418","CuKα","","0.0359","0.0358","","0.0456","0.0456","","","","3.31","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019242","32.284","0.002","5.6274","0.0003","14.3066","0.0008","90","","104.329","0.005","90","","2518.3","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-Iodoanilinium pentamolybdate","Poly[bis(4-iodoanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C12 H14 I2 Mo5 N2 O16 -","- C12 H14 I2 Mo5 N2 O16 -","- C48 H56 I8 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.78992","CoKα1","","0.048","0.0474","","0.0505","0.0503","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019243","6.3744","0.001","11.961","0.002","21.041","0.003","90","","90","","90","","1604.3","0.4","92","2","92","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glabridin","4-[(3<i>R</i>)-8,8-Dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen-3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","LN3162","Simmler, Charlotte; Fronczek, Frank R.; Pauli, Guido F.; Santarsiero, Bernard D.","Absolute configuration of naturally occurring glabridin","Acta Crystallographica Section C","2013","69","11","1212","1216","10.1107/S0108270113018842","","","1.54184","CuKα","","0.0282","0.0255","","","0.0599","0.0614","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019244","6.2876","0.0003","10.7132","0.0005","6.7764","0.0003","90","","111.143","0.001","90","","425.73","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Acetylpyrrolidine-2-carboxylic acid monohydrate","<i>N</i>-Acetyl-<i>L</i>-proline monohydrate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.032","0.0249","","","0.0667","0.069","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019245","8.7552","0.0007","10.6254","0.0008","11.2816","0.0008","90","","93.737","0.002","90","","1047.27","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-<i>L</i>-proline","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0867","0.0902","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019246","15.4385","0.0006","6.1475","0.0002","8.7281","0.0003","90","","105.029","0.002","90","","800.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0466","0.043","","","0.1106","0.1131","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019247","14.771","0.0006","6.1622","0.0002","8.6184","0.0003","90","","91.896","0.002","90","","784.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methylphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0716","0.0672","","","0.1486","0.1511","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019248","15.3832","0.0004","6.3481","0.0001","21.1606","0.0005","90","","90.582","0.001","90","","2066.31","0.08","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoato-κ^2^<i>O</i>^1^,<i>O</i>^2^][μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid-κ<i>O</i>^1^]potassium]","","- C22 H19 K O10 -","- C22 H19 K O10 -","- C88 H76 K4 O40 -","4","1","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0368","0.0322","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019249","7.633","0.0009","22.831","0.003","12.5639","0.0012","90","","124.061","0.005","90","","1813.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-aminopyridinium [diaqua[μ~3~-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]cadmium(II)] dihydrate]","","- C15 H20 Cd N2 O11 -","- C15 H20 Cd N2 O11 -","- C60 H80 Cd4 N8 O44 -","4","1","MX3108","Wang, Peng; Zhao, Ying; Chen, Yong; Kou, Xiao-Yan","A novel one-dimensional tubular cadmium(II) coordination polymer based on 5-(carboxylatomethoxy)benzene-1,3-dicarboxylate containing 4-aminopyridinium ions","Acta Crystallographica Section C","2013","69","11","1340","1343","10.1107/S0108270113026292","","","0.71073","MoKα","","0.0299","0.0268","","","0.0592","0.0605","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019250","5.7235","0.0011","27.444","0.006","21.287","0.004","90","","95.6","0.03","90","","3327.7","1.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato][μ~4~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato]disodium(I)]","","- C19 H19 Na O6 -","- C19 H19 Na O6 -","- C152 H152 Na8 O48 -","8","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0935","0.0491","","","0.1112","0.1345","","","","","","1.022","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019251","8.098","0.0013","8.382","0.0014","15.291","0.002","75.492","0.001","87.242","0.002","86.712","0.003","1002.6","0.3","295","","295","","","","","","","","","5","P 1","P 1","1","","Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]","","- C16 H20 Na2 O12 S -","- C16 H20 Na2 O12 S -","- C32 H40 Na4 O24 S2 -","2","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0627","0.0505","","","0.1193","0.1293","","","","","","1.039","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019252","9.3167","0.0003","10.1345","0.0003","19.4988","0.0006","88.344","0.001","88.179","0.001","67.092","0.005","1694.75","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>'-bis[(6-chloro-2-{(<i>E</i>)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)dizinc(II)]","","- C31 H27 Cl5 N4 O6 Zn2 -","- C31 H27 Cl5 N4 O6 Zn2 -","- C62 H54 Cl10 N8 O12 Zn4 -","2","1","OV3038","Kim, Young-Inn; Lee, Jin Young; Song, Young-Kwang; Kang, Sung Kwon","Different Zn^II^ cation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate","Acta Crystallographica Section C","2013","69","11","1348","1350","10.1107/S0108270113027212","","","0.71073","MoKα","","0.0508","0.0325","","","","0.0748","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019253","11.4579","0.0002","9.83146","0.00018","13.8027","0.0003","90","","95.6581","0.001","90","","1547.27","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium (5<i>R</i>,6<i>S</i>,11<i>R</i>,12<i>S</i>)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[<i>a</i>,<i>e</i>][8]annulene-2-carboxylate dichloromethane monosolvate","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium 5-carboxyheptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-2,4,6,8,11(16),12,14,17(22),18,20,23(28),24,26-tridecaene-13-carboxylate dichloromethane monosolvate","","- C36 H33 Cl2 N O5 -","- C36 H33 Cl2 N O5 -","- C72 H66 Cl4 N2 O10 -","2","1","SK3506","Kawanami, Yuko; Tanaka, Hidekazu; Mizoguchi, Jun-ichi; Kanehisa, Nobuko; Fukuhara, Gaku; Nishijima, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Absolute configuration determination of the <i>anti</i>-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization with <small>L</small>-prolinol","Acta Crystallographica Section C","2013","69","11","1411","1413","10.1107/S0108270113028461","","","1.54187","CuKα","","","0.0504","","","","0.1371","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019254","7.5434","0.0006","13.002","0.0014","10.513","0.0009","90","","92.728","0.007","90","","1029.94","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C32 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0774","0.0642","","","0.1671","0.1773","","","","","","1.041","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019255","7.12","0.0007","21.882","0.003","13.1561","0.0014","90","","92.908","0.008","90","","2047.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C64 H112 N32 O24 -","8","2","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.1236","0.0624","","","0.1457","0.1685","","","","","","0.984","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019256","7.5767","0.0014","21.889","0.003","7.1356","0.0011","90","","117.312","0.012","90","","1051.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil 1-methylpyrrolidin-2-one monosolvate","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0822","0.0614","","","0.1629","0.1744","","","","","","1.08","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019257","6.7298","0.0004","11.4266","0.0007","15.2522","0.001","90","","102.292","0.001","90","","1145.99","0.12","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","","- C15 H21 N6 Nd O18 -","- C15 H21 N6 Nd O18 -","- C30 H42 N12 Nd2 O36 -","2","1","UK3083","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","Acta Crystallographica Section C","2013","69","11","1378","1382","10.1107/S0108270113027881","","","0.71073","MoKα","","0.0217","0.0206","","","0.0461","0.0467","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019258","10.785","0.002","10.1308","0.0019","8.91","0.003","90","","111.01","0.03","90","","908.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-9<i>H</i>-purin-9-ido]zinc(II)]","","- C8 H6 N4 O3 Zn -","- C8 H6 N4 O3 Zn -","- C32 H24 N16 O12 Zn4 -","4","1","WQ3044","Ma, Wen-Juan; Li, Guo-Ting","The purine‒carboxylate-containing coordination polymer poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-9-ido]zinc(II)]","Acta Crystallographica Section C","2013","69","11","1314","1316","10.1107/S0108270113025614","","","0.71073","MoKα","","0.0645","0.0439","","","0.105","0.1108","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2019259","7.744","0.002","8.745","0.002","8.812","0.002","84.933","0.004","89.017","0.004","88.148","0.004","594.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[cadmium(II)-μ~3~-{2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]butanedioato}]","","- C12 H9 Cd N3 O4 -","- C12 H9 Cd N3 O4 -","- C24 H18 Cd2 N6 O8 -","2","1","WQ3045","Cai, Hua; Guo, Ying; Li, Jian-Gang","A one-dimensional coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2013","69","11","1307","1310","10.1107/S010827011302475X","","","0.71073","MoKα","","0.0266","0.0216","","","0.0519","0.0543","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019260","12.1571","0.0003","18.1138","0.0004","9.637","0.0004","90","","113.405","0.001","90","","1947.56","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","","- C10 H22 Cu2 O18 -","- C5 H7 Cu O7 -","- C40 H56 Cu8 O56 -","8","1","YF3042","Cancino, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Venegas-Yazigi, Diego; Vega, Andrés","The layered structure of poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","Acta Crystallographica Section C","2013","69","11","1344","1347","10.1107/S0108270113026620","","","0.71073","MoKα","","0.0314","0.0294","","","0.0814","0.0826","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019261","12.5649","0.0003","15.9508","0.0004","13.3525","0.0003","90","","101.335","0.001","90","","2623.91","0.11","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C96 H108 Cl4 N8 O16 Sn8 -","4","1","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0647","0.0338","","","0.0687","0.0823","","","","","","1.029","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019262","13.2848","0.0003","15.7966","0.0004","25.7287","0.0006","90","","109.176","0.001","90","","5099.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C192 H216 Cl8 N16 O32 Sn16 -","8","2","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0479","0.0327","","","0.0611","0.0658","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019263","18.537","0.004","16.886","0.003","8.3534","0.0017","90","","101.26","0.03","90","","2564.4","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua{μ~2~-1,4-bis[2-(pyridin-4-yl)ethenyl]benzene-κ^2^<i>N</i>:<i>N</i>'}[μ~4~-2,2'-(1,4-phenylene)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']cadmium(II)]","","- C30 H26 Cd N2 O5 -","- C30 H26 Cd N2 O5 -","- C120 H104 Cd4 N8 O20 -","4","0.5","YP3048","Wang, Jun-Feng; Guo, Wen-Jing; Deng, Fan-Zheng","A fivefold interpenetrating diamondoid framework constructed by flexible dipyridyl and dicarboxylate ligands","Acta Crystallographica Section C","2013","69","11","1328","1331","10.1107/S0108270113027182","","","0.71073","MoKα","","0.0376","0.0324","","","0.0746","0.0767","","","","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019264","10.9122","0.0016","5.0428","0.0007","17.279","0.003","90","","93.284","0.002","90","","949.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)methanesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]methanesulfonamide","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0554","0.0391","","","0.094","0.1031","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019265","5.492","0.0007","9.4328","0.0011","24.569","0.003","90","","95.651","0.002","90","","1266.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)benzenesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]benzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0924","0.0461","","","0.0793","0.0903","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019266","7.6869","0.0005","15.7109","0.001","22.6742","0.0014","90","","90","","90","","2738.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.056","0.0403","","","0.1031","0.1088","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019267","6.6783","0.0003","10.8766","0.0006","11.2276","0.0006","100.668","0.002","101.049","0.002","101.917","0.002","761.43","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0612","0.0393","","","0.1044","0.1146","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019268","13.1489","0.0005","6.578","0.0002","17.0721","0.0009","90","","90.42","0.001","90","","1476.59","0.11","220","2","220","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","1","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0349","0.0264","","","0.0719","0.0751","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019269","13.6018","","6.6783","","17.0168","","89.683","","92.077","","99.652","","1522.87","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","Gaboxadol hydrochloride","4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol hydrochloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019270","7.3496","0.0016","14.419","0.003","8.57","0.003","90","","113.44","0.02","90","","833.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","magnesium chloride dodecahydrate","Magnesium chloride dodecahydrate","","- Cl2 H24 Mg O12 -","- Cl2 H24 Mg O12 -","- Cl4 H48 Mg2 O24 -","2","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0536","0.0478","","","0.1316","0.1408","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019271","11.835","0.004","6.4341","0.0014","16.29","0.004","90","","92.04","0.03","90","","1239.7","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","magnesium bromide nonahydrate","Magnesium dibromide nonahydrate","","- Br2 H18 Mg O9 -","- Br2 H18 Mg O9 -","- Br8 H72 Mg4 O36 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0336","0.0293","","","0.0709","0.0718","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019272","15.0768","0.0013","6.6334","0.0003","16.7964","0.0015","90","","125.447","0.006","90","","1368.5","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium iodide nonahydrate","Magnesium diiodide nonahydrate","","- H18 I2 Mg O9 -","- H18 I2 Mg O9 -","- H72 I8 Mg4 O36 -","4","1","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0353","0.0289","","","0.0954","0.0998","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019273","11.9153","0.0003","6.7482","0.0004","13.6052","0.0005","90","","90","","90","","1093.95","0.08","230","","230","","","","","","","","","4","P c a b","-P 2bc 2ac","61","magnesium chloride octahydrate","Magnesium dichloride octahydrate","","- Cl2 H16 Mg O8 -","- Cl2 H16 Mg O8 -","- Cl8 H64 Mg4 O32 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0373","0.025","","","0.0508","0.0547","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019274","10.2299","0.0016","7.2642","0.0009","6.1964","0.0009","90","","93.025","0.012","90","","459.83","0.11","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","magnesium bromide hexahydrate","Magnesium dibromide hexahydrate","","- Br2 H12 Mg O6 -","- Br2 H12 Mg O6 -","- Br4 H24 Mg2 O12 -","2","0.25","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0379","0.0377","","","0.119","0.1192","","","","","","1.159","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019275","8.5256","0.0007","15.698","0.0017","9.8671","0.0012","90","","90","","90","","1320.6","0.2","200","","200","","","","","","","","","4","C m c a","-C 2ac 2","64","magnesium iodide octahydrate","Magnesium diiodide octahydrate","","- H16 I2 Mg O8 -","- H16 I2 Mg O8 -","- H64 I8 Mg4 O32 -","4","","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0257","0.0224","","","0.052","0.0531","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019276","12.7258","0.0014","14.4642","0.0016","4.4683","0.0011","90","","92.528","0.017","90","","821.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.0112","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019277","27.821","0.002","12.0939","0.0015","4.9917","0.0013","90","","90","","90","","1679.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C60 H88 N8 O24 -","4","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","0.9824","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019278","9.0943","0.0009","9.9151","0.0008","16.4279","0.0013","97.315","0.007","97.69","0.007","92.324","0.007","1453.5","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>OC</i>-6‒13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","","- C9 H23 F2 O4 V -","- C9 H23 F2 O4 V -","- C36 H92 F8 O16 V4 -","4","2","EG3138","Kohl, Julia; Wiedemann, Dennis","(<i>OC</i>-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","Acta Crystallographica Section C","2013","69","12","1482","1484","10.1107/S0108270113029776","","","0.71073","MoKα","","0.0726","0.0515","","","0.0989","0.1073","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019279","7.9006","0.0019","16.302","0.004","16.998","0.005","90","","90","","90","","2189.3","1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","10-Ethynyl-10<i>H</i>-phenothiazine 5-oxide","","- C14 H9 N O S -","- C14 H9 N O S -","- C112 H72 N8 O8 S8 -","8","1","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0537","","","","0.1474","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019280","9.177","0.003","11.52","0.004","10.819","0.003","90","","90","","90","","1143.8","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","10-Ethynyl-10<i>H</i>-phenothiazine 5,5-dioxide","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","0.5","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0497","","","","0.1281","","","","","","1.105","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019281","10.6656","0.0008","11.8605","0.0009","14.6067","0.0011","108.659","0.001","92.297","0.001","99.04","0.001","1720.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(S)-[Ru^II^(H)~2~(N-(pyridine-2-ylmethyl)(tropNH)(PPh~3~)].THF","Dihydrido[(η-10,11)-(<i>SR</i>)<i>N</i>-(pyridine-2-ylmethyl-κ<i>N</i>)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine](triphenylphosphane-κ<i>P</i>)ruthenium(II) tetrahydrofuran monosolvate","","- C43 H43 N2 O P Ru -","- C43 H43 N2 O P Ru -","- C86 H86 N4 O2 P2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0418","0.032","","","0.0702","0.0743","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019282","9.2374","0.0004","10.4465","0.0005","15.5708","0.0007","94.297","0.003","99.725","0.003","112.661","0.002","1350.35","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(1SR,2RS)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~2~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II) dimethoxyethane hemisolvate","","- C34 H34 Cl N2 O Ru -","- C34 H34 Cl N2 O Ru -","- C68 H68 Cl2 N4 O2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0486","0.0321","","","0.0553","0.0587","","","","","","0.923","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019283","24.1125","0.0004","24.1125","0.0004","18.0487","0.0007","90","","90","","90","","10493.7","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(S,R)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~3~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II)","","- C33 H31 Cl N2 Ru -","- C33 H31 Cl N2 Ru -","- C528 H496 Cl16 N32 Ru16 -","16","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0662","0.0344","","","0.0662","0.073","","","","","","0.918","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019284","8.4999","0.0012","11.1689","0.0015","32.202","0.004","94.586","0.002","90.88","0.002","107.708","0.002","2900.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-acetone-di-μ~3~-trifluoroacetato-deca-μ~2~-trifluoroacetato-octacopper(I)dicopper(II)","","- C30 H12 Cu10 F36 O26 -","- C30 H12 Cu10 F36 O26 -","- C60 H24 Cu20 F72 O52 -","2","1","FA3322","Hietsoi, Oleksandr; Filatov, Alexander S.; Petrukhina, Marina A.","Building a two-dimensional network from mixed-valence copper units held together by acetone bridges","Acta Crystallographica Section C","2013","69","12","1416","1420","10.1107/S0108270113025559","","","0.71073","Mo-Kα","","0.0718","0.0483","","","0.1104","0.1258","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019285","16.716","0.004","12.535","0.003","15.232","0.004","90","","113.331","0.003","90","","2930.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II)","","- C30 H10 Cu F36 O20 Sn8 -","- C30 H10 Cu F36 O20 Sn8 -","- C60 H20 Cu2 F72 O40 Sn16 -","2","0.5","FA3323","Lieberman, Craig M.; Filatov, Alexander S.; Vreshch, Volodimir D.; Dikarev, Evgeny V.","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II): a prospective precursor for Cu-doped SnO~2~ films","Acta Crystallographica Section C","2013","69","12","1427","1430","10.1107/S0108270113025717","","","0.71073","Mo-Kα","","0.0336","0.0274","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019286","17.204","0.0003","18.2618","0.0003","20.2538","0.0004","90","","94.572","0.001","90","","6343","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) chloroform disolvate","","- C20 H42 Cl8 Ni P2 -","- C20 H42 Cl8 Ni P2 -","- C160 H336 Cl64 Ni8 P16 -","8","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0781","0.0536","","","0.1162","0.129","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019287","11.1034","0.0007","15.1216","0.0009","14.5301","0.0009","90","","109.965","0.001","90","","2293","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C18 H40 Cl2 Ni P2 -","- C18 H40 Cl2 Ni P2 -","- C72 H160 Cl8 Ni4 P8 -","4","2","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0592","0.0445","","","0.0892","0.0959","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019288","20.3765","0.0014","8.1817","0.0006","14.7392","0.001","90","","112.272","0.001","90","","2273.9","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiBr2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dibromidonickel(II)","","- C18 H40 Br2 Ni P2 -","- C18 H40 Br2 Ni P2 -","- C72 H160 Br8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0419","0.0338","","","0.0749","0.0785","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019289","20.4783","0.0009","8.3037","0.0004","14.9472","0.0007","90","","110.999","0.001","90","","2372.9","0.19","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiI2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II)","","- C18 H40 I2 Ni P2 -","- C18 H40 I2 Ni P2 -","- C72 H160 I8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0264","0.0237","","","0.0467","0.0478","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019290","26.3705","0.0017","26.3705","0.0017","16.79","0.0011","90","","90","","90","","11675.8","1.3","200","2","200","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II) dichloromethane monosolvate","","- C27 H26 Cl2 I2 Ni P2 -","- C27 H26 Cl2 I2 Ni P2 -","- C432 H416 Cl32 I32 Ni16 P32 -","16","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0426","0.0353","","","0.0699","0.0746","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019291","9.079","0.002","8.564","0.002","13.833","0.004","90","","106.016","0.003","90","","1033.8","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 Ca N O11 V -","- C2 H12 Ca N O11 V -","- C8 H48 Ca4 N4 O44 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0184","0.0175","","","0.0475","0.0481","","","","","","1.078","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019292","10.156","0.003","8.851","0.002","12.549","0.003","90","","112.818","0.003","90","","1039.8","0.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 N O11 Sr V -","- C2 H11.99 N O11 Sr V -","- C8 H47.96 N4 O44 Sr4 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0212","0.0192","","","0.0447","0.0457","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019293","8.502","0.003","15.446","0.005","27.071","0.01","90","","96.226","0.004","90","","3534","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-Dibenzoyl-2,7-dihydroxynaphthalene","","- C24 H16 O4 -","- C24 H16 O4 -","- C192 H128 O32 -","8","2","FG3312","Mohri, Saki; Yoshiwaka, Sayaka; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene","Acta Crystallographica Section C","2013","69","12","1541","1544","10.1107/S0108270113030771","","","0.7107","MoKα","","0.0686","0.0501","","","0.1077","0.1182","","","","","","1.088","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019294","12.5153","0.0009","14.1333","0.0011","14.6716","0.001","90","","96.863","0.004","90","","2576.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B acetone hemisolvate 0.11-hydrate","(8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,17<i>R</i>,20<i>S</i>,22<i>R</i>,24<i>R</i>,25<i>S</i>)-16,24-Cyclo-13,14-secoergosta-2,5-diene-1,15-dioxo-14:17,14:27-diepoxy-13-hydroxy-18,26-dioic acid 18:20,26:22-di-γ-lactone δ-lactone acetone hemisolvate 0.11-hydrate","","- C29.5 H33.22 O9.61 -","- C29.5 H33.216 O9.608 -","- C118 H132.864 O38.432 -","4","2","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54178","CuKα","","0.0699","0.0558","","","0.136","0.1473","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019295","12.4859","0.0004","14.1716","0.0004","14.6559","0.0007","90","","96.829","0.003","90","","2574.89","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B epoxyphysalin B acetone monosolvate","Physalin B epoxyphysalin B acetone monosolvate","","- C59 H66 O19.67 -","- C59 H66 O19.669 -","- C118 H132 O39.338 -","2","1","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54184","CuKα","","0.0739","0.0638","","","0.1684","0.1752","","","","","","1.056","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019296","7.6219","0.0003","7.6219","0.0003","13.1632","0.0009","90","","90","","90","","764.69","0.07","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Imidazolidin-2-one","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C24 H48 N16 O8 -","8","0.5","FG3316","Taouss, Christina; Jones, Peter G.; Tindall, Daniel J.","Imidazolidin-2-one: pseudosymmetry and twinning","Acta Crystallographica Section C","2013","69","12","1534","1536","10.1107/S0108270113030746","","","0.71073","MoKα","","0.0349","0.0317","","","0.0769","0.0794","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019297","6.618","0.002","8.527","0.003","13.111","0.004","86.34","0.005","89.487","0.005","68.617","0.005","687.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua-μ~4~-oxydiacetato-di-μ~4~-sulfato-dipraseodymium(III)] hemihydrate]","","- C4 H9 O15.5 Pr2 S2 -","- C4 H9 O15.5 Pr2 S2 -","- C8 H18 O31 Pr4 S4 -","2","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0216","0.0205","","","0.0492","0.0498","","","","","","1.142","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019298","10.542","0.003","16.52","0.005","10.885","0.004","90","","108.921","0.005","90","","1793.2","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-dineodymium(III)] 1.32-hydrate]","","- C8 H14.64 Nd2 O17.32 S -","- C8 H14.64 Nd2 O17.32 S -","- C32 H58.56 Nd8 O69.28 S4 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0212","0.0202","","","0.0451","0.0456","","","","","","1.152","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019299","10.4709","0.0017","16.441","0.003","10.8721","0.0018","90","","109.528","0.002","90","","1764","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-disamarium(III)] 1.32-hydrate]","","- C8 H14.64 O17.32 S Sm2 -","- C8 H14.64 O17.32 S Sm2 -","- C32 H58.56 O69.28 S4 Sm8 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0205","0.019","","","0.0461","0.0468","","","","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019300","11.0292","0.0009","11.0292","0.0009","11.0292","0.0009","90","","90","","90","","1341.63","0.19","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Heptarubidium europium nonaindium heptatriacontagermanide","","- Eu0.61 Ge37.12 In8.88 Rb7.39 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0206","0.0177","","","0.0407","0.0416","","","","","","1.182","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019301","11.0592","0.0003","11.0592","0.0003","11.0592","0.0003","90","","90","","90","","1352.61","0.06","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0196","0.0161","","","0.0296","0.0307","","","","","","1.147","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019302","11.0614","0.0007","11.0614","0.0007","11.0614","0.0007","90","","90","","90","","1353.41","0.15","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0288","0.0206","","","0.0414","0.0444","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019303","9.7841","0.0005","12.3479","0.0007","13.8639","0.0005","90","","90","","90","","1674.94","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4,4-Dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl)(1<i>H</i>-indol-3-yl)methanone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","KU3113","Paz, Cristian; Becerra, José; Silva, Mario; Freire, Eleonora; Baggio, Ricardo","A polymorphic form of 4,4-dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl 3-indolyl ketone, an indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2013","69","12","1509","1512","10.1107/S0108270113025523","","","0.71073","MoKα","","0.0803","0.0538","","","0.1213","0.1395","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019304","23.723","0.003","6.7123","0.0007","14.8382","0.0017","90","","94.178","0.004","90","","2356.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(pyridine-κ<i>N</i>){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}rhenium(I)","","- C26 H21 N4 O4 Re -","- C26 H21 N4 O4 Re -","- C104 H84 N16 O16 Re4 -","4","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0491","0.0306","","","","0.0743","","","","","","1.125","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019305","7.9776","0.0006","11.6818","0.0008","15.3994","0.0011","92.113","0.004","98.13","0.003","92.384","0.004","1418.13","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{5,7-Bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}tricarbonyl(pyridine-κ<i>N</i>)rhenium(I)","","- C31 H23 N6 O4 Re -","- C31 H23 N6 O4 Re -","- C62 H46 N12 O8 Re2 -","2","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0286","0.0219","","","","0.0449","","","","","","1.088","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019306","13.166","0.003","6.8812","0.0014","11.958","0.002","90","","90","","90","","1083.4","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-Dichloromethyl-3-methyl-1,4-naphthalenedione","2-Dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","0.5","KY3044","Soave, Raffaella; Colombo, Pietro","Intermolecular C—H···O, Cl···Cl and π‒π interactions in the 2-dichloromethyl derivative of vitamin K~3~","Acta Crystallographica Section C","2013","69","12","1563","1566","10.1107/S010827011303196X","","","0.71073","MoKα","","0.1114","0.0481","","","0.1164","0.1612","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019307","6.7279","0.0003","9.7888","0.0004","5.4611","0.0002","90","","95.149","0.002","90","","358.21","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>fac</i>-Triamminetrichloridorhodium(III)","","- Cl3 H9 N3 Rh -","- Cl3 H9 N3 Rh -","- Cl6 H18 N6 Rh2 -","2","0.5","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.961","","","2.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019308","7.496","0.001","7.496","0.001","5.256","0.0008","90","","90","","120","","255.77","0.06","296","2","296","2","","","","","","","","4","P 3","P 3","143","","<i>fac</i>-Triamminetrinitratorhodium(III)","","- H9 N6 O9 Rh -","- N6 O9 Rh -","- N6 O9 Rh -","1","0.333333","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","","","0.71073","MoKα","","0.0191","0.0191","","","0.0481","0.0481","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019309","17.344","0.015","6.509","0.005","7.522","0.006","90","","90.79","0.017","90","","849.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato)copper(I)]","","- C7 H5 Cu N4 S -","- C7 H5 Cu N4 S -","- C28 H20 Cu4 N16 S4 -","4","1","LN3165","Zhou, Fang-Xia; Yue, Cheng-Yang; Zhang, Hui-Ping; Lei, Xiao-Wu","A two-dimensional Cu^I^ framework incorporating the 1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiol ligand","Acta Crystallographica Section C","2013","69","12","1478","1481","10.1107/S0108270113029065","","","0.71073","MoKα","","0.0706","0.0519","","","0.12","0.1333","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019310","5.7828","0.0004","20.7395","0.0014","29.4867","0.0019","90","","90","","90","","3536.4","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Lapatinb monotosylate","({5-[4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]azanium 4-methylbenzenesulfonate","","- C36 H34 Cl F N4 O7 S2 -","- C36 H34 Cl F N4 O7 S2 -","- C144 H136 Cl4 F4 N16 O28 S8 -","4","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0634","0.0568","","","0.1332","0.1373","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019311","9.2122","0.0006","13.2387","0.0009","18.3758","0.0012","95.387","0.001","92.463","0.001","100.359","0.001","2190.7","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","Lapatinib ditosylate","4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)","","- C43 H42 Cl F N4 O10 S3 -","- C43 H42 Cl F N4 O10 S3 -","- C86 H84 Cl2 F2 N8 O20 S6 -","2","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0802","0.0622","","","0.1599","0.1735","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019312","7.9406","0.0004","6.8025","0.0004","33.27","0.0017","90","","90","","90","","1797.11","0.17","200","1","200","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","sodium 4-chloro-3-nitrobenzoate monohydrate","Poly[aqua(μ~4~-4-chloro-3-nitrobenzoato)sodium(I)]","","- C7 H5 Cl N Na O5 -","- C7 H5 Cl N Na O5 -","- C56 H40 Cl8 N8 Na8 O40 -","8","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0407","0.0365","","","0.0888","0.0914","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019313","6.611","0.0006","6.9443","0.0007","11.7453","0.0011","75.054","0.008","85.243","0.007","67.249","0.009","480.35","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","sodium 4-nitroanthranilate dihydrate","Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)]","","- C7 H9 N2 Na O6 -","- C7 H9 N2 Na O6 -","- C14 H18 N4 Na2 O12 -","2","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0509","0.0402","","","0.1032","0.1132","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019314","11.0753","0.0006","7.3693","0.0004","11.8371","0.0007","90","","110.144","0.006","90","","907.01","0.09","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitroanthranilate monohydrate","Poly[μ-aqua-aqua(μ~5~-2-amino-4-nitrobenzoato)potassium(I)]","","- C7 H7 K N2 O5 -","- C7 H7 K N2 O5 -","- C28 H28 K4 N8 O20 -","4","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0409","0.0323","","","0.0738","0.0776","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019315","6.616","0.003","15.683","0.006","8.545","0.004","90","","108.037","0.005","90","","843","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene","","- C21 H18 N4 -","- C21 H18 N4 -","- C42 H36 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0634","0.0532","","","0.1083","0.1122","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019316","12.749","0.009","17.215","0.011","9.489","0.006","90","","100.402","0.009","90","","2048","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridodicopper(I)(<i>Cu</i>—<i>Cu</i>)]-μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene]","","- C21 H18 Cl2 Cu2 N4 O0 -","- C21 H18 Cl2 Cu2 N4 -","- C84 H72 Cl8 Cu8 N16 -","4","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0783","0.0603","","","0.161","0.172","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019317","11.205","0.004","11.347","0.004","11.652","0.004","66.157","0.005","66.036","0.004","81.515","0.005","1238","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetra-μ~2~-chlorido-tetracopper(I)]-bis[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dipropyl-9<i>H</i>-fluorene]]","","- C25 H26 Cl2 Cu2 N4 -","- C25 H26 Cl2 Cu2 N4 -","- C50 H52 Cl4 Cu4 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.103","0.057","","","0.1287","0.1431","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019318","8.2246","0.0016","8.7495","0.0017","11.454","0.002","100.67","0.03","97.26","0.03","94.68","0.03","798.8","0.3","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","2,2'-Biimidazole-3,3'-diium 2,5-dicarboxybenzene-1,4-dicarboxylate","2-(Imidazol-1-ium-2-yl)imidazol-1-ium 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C16 H12 N4 O8 -","- C16 H12 N4 O8 -","- C32 H24 N8 O16 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.0613","0.0462","","","0.1149","0.1224","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019319","9.5166","0.0007","9.997","0.0008","12.4106","0.0008","77.979","0.006","73.421","0.006","62.655","0.008","1001.03","0.15","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-(4-methylpyridin-2-yl)pyridinium 2,4,5-tricarboxybenzoate monohydrate","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.071","0.0505","","","0.1144","0.1264","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019320","19.3355","0.0005","5.9277","0.0002","14.5264","0.0004","90","","109.222","0.001","90","","1572.12","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azobis(4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxidanyl)","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl)","","- C32 H42 N4 O6 -","- C32 H42 N4 O6 -","- C64 H84 N8 O12 -","2","0.5","SK3514","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical","Acta Crystallographica Section C","2013","69","12","1513","1515","10.1107/S0108270113029211","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.153","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019321","9.2168","0.0016","9.7617","0.0018","12.6839","0.0017","77.688","0.016","75.951","0.011","68.117","0.013","1017.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one","","- C25 H21 N3 O S -","- C25 H21 N3 O S -","- C50 H42 N6 O2 S2 -","2","1","SK3519","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: a hydrogen-bonded <i>R</i>~2~^2^(8) dimer","Acta Crystallographica Section C","2013","69","12","1524","1526","10.1107/S010827011303059X","","","0.71073","MoKα","","0.0828","0.0465","","","0.0909","0.1065","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019322","8.0655","0.0016","10.391","0.002","12.735","0.003","105.6","0.01","103.47","0.01","102.81","0.02","952.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","1","0.5","WQ3050","Wu, De-Hong","Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","Acta Crystallographica Section C","2013","69","12","1545","1548","10.1107/S0108270113031521","","","0.71073","MoKα","","0.064","0.0421","","","0.0985","0.1097","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019323","8.6591","0.0012","4.998","0.0007","28.346","0.004","90","","98.042","0.003","90","","1214.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71073","MoKα","","0.0787","0.0433","","","0.1049","0.1246","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019324","12.989","0.012","8.301","0.007","29.11","0.02","90","","94.29","0.02","90","","3130","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide hemihydrate","","- C18 H16 N O4.5 -","- C18 H16 N O4.5 -","- C144 H128 N8 O36 -","8","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.109","0.0959","","","0.1987","0.2078","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019325","5.7544","0.0004","8.0892","0.0005","15.6269","0.0014","101.926","0.007","95.366","0.009","92.579","0.009","707.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.0532","0.0379","","","0.1016","0.1069","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019326","8.628","0.003","8.628","0.003","24.621","0.01","90","","90","","90","","1832.8","1.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","","- C12 H20 Ag3 N7 O3 -","- C12 H20 Ag3 N7 O3 -","- C48 H80 Ag12 N28 O12 -","4","0.5","YF3050","Jiang, Feng; Dai, Lin; Shi, Yiqiang; Wang, Zhixiang","A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi~2~ topology: poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","Acta Crystallographica Section C","2013","69","12","1485","1487","10.1107/S0108270113029788","","","0.71073","MoKα","","0.0295","0.0285","","","0.0627","0.0632","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019327","5.645","0.004","7.286","0.005","9.784","0.007","106.33","0.06","106.03","0.06","99.63","0.05","357.8","0.5","210","2","210","2","","","","","","","","5","P -1","-P 1","2","uranyl bis-nicotinate","di-oxo-uranium(VI) bis-nicotinate","","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","1","0.5","","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leceiejewicz, J.","Diaquadioxobis(pyridine-3-carboxylato)uranium(VI)","Acta Crystallographica Section C Crystal Structure Communications","1996","52","3","615","","10.1107/S0108270195012972","","","0.71073","MoKα","","0.0216","0.0197","","0.0572","0.0508","","","","1.098","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019328","13.8593","0.0003","10.5242","0.0002","14.8044","0.0004","90","","92.0014","0.0007","90","","2158.02","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-<i>tert</i>-butyl-3-oxa-2-thia-1-azabicyclo[5.1.0]oct-6-ene 2,2-dioxide","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","2","BM3085","Feast, George C.; Haestier, James; Page, Lee W.; Robertson, Jeremy; Thompson, Amber L.; Watkin, David J.","An unusual methylene aziridine refined inP21/cand the nonstandard settingP21/n","Acta Crystallographica Section C Crystal Structure Communications","2009","65","12","o635","8","10.1107/S0108270109046952","","","0.71073","MoKα","","0.061","0.0428","","0.1232","0.0998","0.1232","","","","","","0.9387","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019329","13.8594","0.0002","10.5243","0.0002","19.923","0.0003","90","","132.044","0.0007","90","","2158.07","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","2","BM3085","Feast, George C.; Haestier, James; Page, Lee W.; Robertson, Jeremy; Thompson, Amber L.; Watkin, David J.","An unusual methylene aziridine refined inP21/cand the nonstandard settingP21/n","Acta Crystallographica Section C Crystal Structure Communications","2009","65","12","o635","8","10.1107/S0108270109046952","","","0.71073","MoKα","","0.0611","0.043","","0.12","0.0974","0.12","","","","","","0.9413","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019330","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","barium titanate","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, A.","Ba4Ti12O27: Rietveld refinement using X-ray powder diffraction data","Acta Crystallographica Section C Crystal Structure Communications","1999","55","1","2","","10.1107/S0108270198010919","","","1.54056","CuKα~1~","","","","","","","","","","1.541","1.541","1.541","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019331","8.314","0.003","11.505","0.003","8.418","0.002","90","","90.25","0.02","90","","805.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S)-Bicyclo[2.2.1]-heptan-3-benzamido-3-carbomethoxy-2-carboxylic acid","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Conformationally Restricted Aspartic Acid Analogue","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1252","","10.1107/S0108270195016106","","","0.71073","MoKα","","0.0492","0.0378","","0.0999","0.0923","","","","1.072","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019336","23.462","0.005","10.6","0.002","23.907","0.006","90","","102.08","0.02","90","","5814","2","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 F12 O4 -","- C10 H6 F12 O4 -","- C160 H96 F192 O64 -","16","2","","George, C.; Purdy, A.","1,3,5,7-Tetrakis(trifluoromethyl)-2,6-dioxabicyclo[3.3.0]octane-3,7-diol","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","445","","10.1107/S0108270194007511","","","0.71073","MoKα","","","0.058","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019337","12.397","0.005","8.277","0.004","15.169","0.006","90","","109.8","0.3","90","","1464","3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 O5 -","- C14 H9 F3 N2 O5 -","- C56 H36 F12 N8 O20 -","4","1","","McKinney, J. D.; Agarwal, S. C.; Padgett, W. T.; Lambert, G. R.; Singh, P.; Nesnow, S.","3,5-Dinitro-4-(4-trifluoromethylphenoxy)toluene, Conformationally Related to Thyroid Hormones","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","428","","10.1107/S0108270194005305","","","0.71073","MoKα","","","0.054","","","0.069","","","","","2","2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019338","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","6","1223","","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019339","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium Molybdylarsenate","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO2AsO4","Acta Crystallographica Section C Crystal Structure Communications","1996","52","1","3","","10.1107/S0108270195010572","","","0.71069","MoKα","","0.0267","0.024","","0.0713","0.0693","","","","1.108","1.139","1.139","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019340","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.1","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium Indium Diarsenate","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","Belam, W.; Driss, A.; Jouini, T.","NaInAs2O7","Acta Crystallographica Section C Crystal Structure Communications","1997","53","1","5","","10.1107/S0108270196009900","","","0.71069","MoKα","","0.054","0.0377","","0.1011","0.0944","","","","1.123","1.203","1.203","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019341","3.8604","0.0002","22.22","0.001","7.6932","0.0003","90","","90","","90","","659.91","0.05","298","","298","","","","","","","","","5","I m m m","-I 2 2","71","","potassium strontium diniobium hexaoxide fluoride","","- F K Nb2 O6 Sr -","- F K Nb2 O6 Sr -","- F4 K4 Nb8 O24 Sr4 -","4","0.25","FA3094","Yoo, Chung-Yul; Hong, Kun-Pyo; Kim, Seung-Joo","A new layered perovskite, KSrNb2O6F, by powder neutron diffraction","Acta Crystallographica Section C Crystal Structure Communications","2007","63","8","i63","5","10.1107/S0108270107029563","","neutron","1.8371","neutron","","","","","","","","","","1.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019343","8.903","0.002","9.594","0.002","14.175","0.003","79.15","0.02","84.86","0.01","76.05","0.03","1152.8","0.5","302","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Mn N4 O5 -","- C20 H18 Cl2 Mn N4 O9 -","- C40 H36 Cl4 Mn2 N8 O18 -","2","1","","Chen, X. M.; Shi, K. L.; Mak, T. C. W.; Luo, B. S.","Aquabis(2,2'-bipyridine)chloromanganese(II) Perchlorate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","358","","10.1107/S0108270194005226","","","0.71073","MoKα","","","0.0486","","","0.0688","","","","","1.18","1.18","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019344","9.217","0.003","13.589","0.004","11.237","0.003","90","","92.47","0.02","90","","1406.1","0.7","173","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O11 P S -","- C23 H35 N4 O11 P S -","- C46 H70 N8 O22 P2 S2 -","2","1","","Szabó, T.; Stawinski, J.; Carlson, S.; Norrestam, R.","The SP Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N3-Methyl-4-thiothymine Bases","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","411","","10.1107/S0108270194006281","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.76","1.76","","","","","has coordinates,has disorder","190974","2020-10-21","18:00:00",""
"2019345","8.641","0.001","7.236","0.001","7.337","0.001","107","0.1","84.4","0.1","96.8","0.1","434.7","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","1","0.5","","Casas, J. S.; Sanchez Gonzalez, A.; Sordo, J.; Garcia Barros, F. J.; Valle, G.","Dibromodiethylbis(3H-imidazole-2-thione-S)tin(IV)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","633","","10.1107/S0108270194004427","","","0.7107","MoKα","","","0.039","","","0.038","","","","","0.584","0.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019346","7.636","0.001","8.911","0.001","34.895","0.003","90","","90","","90","","2374.4","0.5","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H39 N O6 S -","- C22 H39 N O6 S -","- C88 H156 N4 O24 S4 -","4","1","","Tinant, B.; Declercq, J. P.; Huart, C.","Absolute Configuration of N,N-{(1S)-1-[(1-Methoxy-1-methyl)ethyl]tetramethylene}(1R,6R,7R)-9,9-diethoxy-1-methyl-2-oxo-bicyclo[4.3.0]nonane-7-sulfonamide","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","678","","10.1107/S0108270194001678","","","1.54178","CuKα","","","0.058","","","0.067","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019347","17.67","0.005","16.554","0.006","14.753","0.003","90","","126.29","0.02","90","","3478","2","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O8 Rh2 S2 -","- C34 H32 N4 O8 Rh2 S2 -","- C136 H128 N16 O32 Rh8 S8 -","4","0.5","","Lemoine, P.; Tomas, A.; Viossat, B.; Mettey, Y.; Vierfond, J. M.","Complexe entre un Carboxylate de Rhodium(II) et un Dérivé de la [1,4]Thiazépine: Synthèse et Structure Cristalline de Tétrakis(μ-acétato)bis{[11-aminodibenzo[b,f][1,4]thiazépine]rhodium(II)}(Rh—Rh)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","377","","10.1107/S0108270194006773","","","0.7107","MoKα","","","0.0476","","","0.0476","","","","","5.7","5.7","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019348","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J. P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1226","","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019349","9.7313","0.0008","9.2898","0.0011","8.115","0.001","90","","104.252","0.008","90","","711.03","0.14","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","t-butylperthiophosphonic anhydride","","- C8 H18 P2 S4 -","- C8 H18 P2 S4 -","- C16 H36 P4 S8 -","2","0.25","","Ziemer, Burkhard; Steinberger, Hans-Uwe","A monoclinic polymorph of bis(tert-butylperthiophosphonic) dianhydride","Acta Crystallographica Section C Crystal Structure Communications","2000","56","3","e95","","10.1107/S0108270100002390","","","0.71073","MoKα","","0.025","0.025","","","","0.064","","","","","","1.145","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019350","12.973","0.002","12.572","0.002","18.993","0.002","90","","107.98","0.01","90","","2946.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 N6 O2 Se4 Tl2 -","- C52 H72 N6 O4 Se4 Tl2 -","- C104 H144 N12 O8 Se8 Tl4 -","2","0.5","","Zahn, G.; Franke, A.; Dietzsch, W.","Bis(tetra-n-butylammonium) Bis(μ-1,1-dicyanoethene-2,2-diselenolato)dithallate(I) Acetone Solvate, [(C4H9)4N]2[Tl2{Se2C=C(CN)2}2].2(CH3)2CO","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","854","","10.1107/S0108270194003562","","","0.71073","MoKα","","","0.0504","","","0.0474","","","","","1.52","1.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019351","7.906","0.009","12.076","0.008","12.35","0.01","92.88","0.05","100.55","0.08","90.78","0.08","1157.4","1.8","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl4 N7 O P4 S -","- C10 H17 Cl4 N7 O P4 S -","- C20 H34 Cl8 N14 O2 P8 S2 -","2","1","","Diefenbach, U.; Stromburg, B.; Engelhardt, U.","Ein anorganischer Spirocyclus aus Cyclotriphosphazen und Phosphor(V)-Hydrazin-Heterocyclus mit Twist-Konformation","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","670","","10.1107/S0108270194001447","","","0.71069","MoKα","","","0.069","","","0.061","","","","","2.57","2.57","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2019363","6.937","0.002","15.32","0.002","23.423","0.003","90","","90","","90","","2489.3","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O7 -","- C27 H27 N O7 -","- C108 H108 N4 O28 -","4","1","","Swamy, G. Y. S. K.; Ravikumar, K.; Rama Rao, A. V.; Gurjar, M. K.; Ramadevi, T.","An Oxazolidinone Derivative of D-Furanose","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","426","","10.1107/S0108270194003732","","","0.71063","MoKα","","","0.049","","","0.056","","","","","0.923","0.923","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019364","12.294","0.003","12.294","0.003","15.945","0.003","90","","90","","120","","2087.1","0.8","293","","","","","","","","","","","4","P 31","P 31","144","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C108 H90 N6 O12 -","6","2","","Seetharaman, J.; Rajan, S. S.","7,10-Dimethoxybenzo[b]carbazole","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","676","","10.1107/S0108270194005135","","","1.5418","CuKα","","","0.043","","","0.046","","","","","0.97","0.97","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2019365","8.876","0.003","9.55","0.001","10.465","0.003","97.25","0.02","107.37","0.03","100.24","0.02","817.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N4 O3 -","- C16 H18 Cl N4 O3 -","- C32 H36 Cl2 N8 O6 -","2","1","","Datta, M.; Hannan, S. S.; Talukdar, A. N.","6-Chloro-1-ethyl-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-1,8-naphthyridine-3-carboxylic Acid, C16H19ClN4O3","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","978","","10.1107/S0108270194004920","","","1.54178","CuKα","","","0.083","","","0.089","","","","","0.293","0.293","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019372","8.6637","0.001","10.3098","0.0013","10.7255","0.0013","76.253","0.01","71.401","0.009","70.983","0.009","848.81","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C28 H40 N8 O4 S4 -","4","2","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0507","0.0401","","","0.1002","0.1048","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019373","4.3141","0.0006","16.9101","0.0018","8.9965","0.0012","90","","93.593","0.01","90","","655.02","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-thiouracil","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.05","0.043","","","0.1082","0.1119","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019374","13.225","0.003","6.4726","0.0008","13.867","0.003","90","","97.17","0.015","90","","1177.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-Methoxy-2-thiouracil‒dimethylacetamide (1/1)","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.1152","0.0766","","","0.1736","0.1901","","","","","","1.115","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019375","6.8295","0.001","15.2624","0.0018","7.0948","0.0011","90","","112.336","0.011","90","","684.04","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-thiouracil","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0587","0.0568","","","0.1466","0.1487","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019376","15.2437","0.0006","6.8275","0.0017","23.555","0.002","90","","90","","90","","2451.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C88 H136 N24 O16 S8 -","8","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0638","0.0584","","","0.1249","0.1286","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019377","8.5895","0.0013","8.6241","0.0014","15.35","0.002","100.404","0.013","95.341","0.012","119.496","0.011","951.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,6-Dimethyl-2-thiouracil‒dimethylformamide (2/1)","","- C15 H23 N5 O3 S2 -","- C15 H23 N5 O3 S2 -","- C30 H46 N10 O6 S4 -","2","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0519","0.0431","","","0.1119","0.1193","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019378","8.0876","0.0014","11.1034","0.0017","11.9115","0.0017","80.017","0.012","70.979","0.012","75.575","0.013","974.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,6-Dimethyl2-thiouracil‒dimethylacetamide (2/1)","","- C16 H25 N5 O3 S2 -","- C16 H25 N5 O3 S2 -","- C32 H50 N10 O6 S4 -","2","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0458","0.0349","","","0.0897","0.094","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019379","8.1597","0.0014","22.612","0.003","10.5576","0.0017","90","","105.459","0.013","90","","1877.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dimethyl-2-thiouracil‒dimethyl sulfoxide (2/1)","","- C7 H11 N2 O1.5 S1.5 -","- C7 H11 N2 O1.5 S1.5 -","- C56 H88 N16 O12 S12 -","8","2","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0903","0.0705","","","0.1709","0.1797","","","","","","1.11","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019380","6.1241","0.0012","8.4939","0.0017","10.224","0.002","67.94","0.03","80.46","0.03","77.48","0.03","479.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]","","- C4 H7 Cd N3 O6 S -","- C4 H7 Cd N3 O6 S -","- C8 H14 Cd2 N6 O12 S2 -","2","1","WQ3053","Liang, Qian; Wang, Yu-Lin; Zhao, Yan; Cao, Gao-Juan","The coordination polymer poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]","Acta Crystallographica Section C","2014","70","2","182","184","10.1107/S2053229614000102","","","0.71073","MoKα","","0.0239","0.0231","","","0.0562","0.0609","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019381","9.4532","0.0009","6.1789","0.0008","24.906","0.003","90","","96.513","0.011","90","","1445.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzamidinium 3-methoxybenzoate","[Amino(phenyl)methylidene]azanium 3-methoxybenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.093","0.0549","","","0.1131","0.1273","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019382","9.4676","0.0007","6.8888","0.0006","21.7018","0.0012","90","","92.4498","0.0007","90","","1414.11","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzamidinium 4-methoxybenzoate","[Amino(phenyl)methylidene]azanium 4-methoxybenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.1326","0.0544","","","0.1002","0.1171","","","","","","0.927","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019383","22.8771","0.0015","7.8631","0.0003","23.1789","0.0013","90","","117.515","0.008","90","","3697.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamidinium 3,4,5-trimethoxybenzoate monohydrate","[Amino(phenyl)methylidene]azanium 3,4,5-trimethoxybenzoate monohydrate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C136 H176 N16 O48 -","8","2","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.0911","0.0566","","","0.1211","0.1342","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019384","11.1321","0.0008","20.371","0.001","21.0194","0.0002","62.239","0.001","88.847","0.001","74.372","0.001","4030.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3,5,5,7,7-Octabutyl-7-[((<i>E</i>)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9<i>H</i>-carbazol-3-yl}prop-2-enoyl)oxy]-4,8-dimethyl-2,4,6,8-tetroxa-1,3,5,7-tetrastannatricyclo[4.2.0.0^2,5^]oct-3-yl (<i>E</i>)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9<i>H</i>-carbazol-3-yl}prop-2-enoate","","- C76 H116 N4 O12 Sn4 -","- C76 H116 N4 O12 Sn4 -","- C152 H232 N8 O24 Sn8 -","2","1","","Wang, Hui; Liu, Wen-Mo; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","A tetranuclear organotin compound consisting of a core of three fused Sn~2~O~2~ rings","Acta Crystallographica Section C","2014","70","2","185","188","10.1107/S2053229614000758","","","0.71073","MoKα","","0.0522","0.0393","","","0.1139","0.1224","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019385","7.4793","0.0006","15.641","0.0013","12.0962","0.0011","90","","104.831","0.005","90","","1367.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one","","- C17 H10 F4 O -","- C17 H10 F4 O -","- C68 H40 F16 O4 -","4","1","EG3145","Schwarzer, Anke; Weber, Edwin","Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution","Acta Crystallographica Section C","2014","70","2","202","206","10.1107/S2053229613034232","","","0.71073","MoKα","","0.0888","0.0438","","","0.1015","0.1163","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019386","7.6508","0.0002","11.1075","0.0003","15.6428","0.0003","90","","91.572","0.001","90","","1328.84","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-[2,4-Bis(2,6-difluorophenyl)cyclobutane-1,3-diyl]bis[3-(2,6-difluorophenyl)prop-2-en-1-one]","","- C34 H20 F8 O2 -","- C34 H20 F8 O2 -","- C68 H40 F16 O4 -","2","0.5","EG3145","Schwarzer, Anke; Weber, Edwin","Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution","Acta Crystallographica Section C","2014","70","2","202","206","10.1107/S2053229613034232","","","0.71073","MoKα","","0.0411","0.0322","","","0.0847","0.09","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019387","13.9269","0.0004","11.9137","0.0003","14.0158","0.0005","90","","96.665","0.003","90","","2309.8","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II)","","- C64 H44 N6 Pd -","- C64 H44 N6 Pd -","- C128 H88 N12 Pd2 -","2","0.5","GZ3242","Jones, Roderick C.; Müller-Bunz, Helge; Evans, Paul; O'Shea, Donal F.","Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II): a homoleptic four-coordinate tetraphenylazadipyrromethene complex of palladium","Acta Crystallographica Section C","2014","70","2","165","168","10.1107/S2053229614000084","","","1.54184","CuKα","","0.0641","0.0503","","","0.1177","0.1252","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019388","13.0883","0.0004","6.0413","0.0001","14.5542","0.0004","90","","115.306","0.003","90","","1040.37","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium tetrafluoroborate","","- C7 H9 B F4 N4 O2 -","- C7 H9 B F4 N4 O2 -","- C28 H36 B4 F16 N16 O8 -","4","1","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","0.71073","MoKα","","0.0397","0.0334","","","0.0772","0.0816","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019389","13.8664","0.0007","6.4623","0.0003","11.3634","0.0006","90","","90","","90","","1018.26","0.09","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride","","- C7 H11 Cl N4 O3 -","- C7 H11 Cl N4 O3 -","- C28 H44 Cl4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.117","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019390","14.012","0.0005","6.6151","0.0003","11.5297","0.0004","90","","90","","90","","1068.7","0.07","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride monohydrate","","- C7 H11 Br N4 O3 -","- C7 H11 Br N4 O3 -","- C28 H44 Br4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","0.71073","MoKα","","0.0314","0.0251","","","0.0553","0.0577","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019391","32.081","0.003","4.5028","0.0003","12.8256","0.001","90","","103.524","0.009","90","","1801.3","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium bromide monohydrate","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C56 H72 Cl8 N32 O16 -","8","2","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0508","0.0475","","","0.126","0.1297","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019392","15.119","0.003","15.119","0.003","10.368","0.004","90","","90","","90","","2370","1.1","291","2","291","2","","","","","","","","5","I -4","I -4","82","","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)]","","- C17 H20 Cl4 N8 Zn2 -","- C17 H20 Cl4 N8 Zn2 -","- C68 H80 Cl16 N32 Zn8 -","4","0.5","WQ3052","Su, Jian; Yao, Liu-Di; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)] exhibiting a three-dimensional diamond topology","Acta Crystallographica Section C","2014","70","2","194","197","10.1107/S2053229614000047","","","0.71073","MoKα","","0.0437","0.0339","","","0.0436","0.0448","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019393","11.773","0.002","9.9525","0.0018","13.76","0.003","90","","114.519","0.01","90","","1466.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine","","- C17 H15 Cl N4 -","- C17 H15 Cl N4 -","- C68 H60 Cl4 N16 -","4","1","SF3218","Trilleras, Jorge; Utria, Michael; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2014","70","2","216","219","10.1107/S2053229614000680","","","0.71073","MoKα","","0.0902","0.0527","","","0.1185","0.1385","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019394","7.0696","0.0008","17.2872","0.0016","6.6046","0.0007","90","","115.198","0.01","90","","730.36","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ-chlorido-μ~4~-[1,4-bis(pyridazin-4-yl)benzene- -1:2:3:4κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^]dicopper(I)]","","- C14 H10 Cl2 Cu2 N4 -","- C14 H10 Cl2 Cu2 N4 -","- C28 H20 Cl4 Cu4 N8 -","2","0.5","SF3217","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Anion···π interactions in copper(I) chloride and bromide coordination polymers bearing 1,4-bis(pyridazin-4-yl)benzene ligands","Acta Crystallographica Section C","2014","70","2","173","177","10.1107/S2053229613034840","","","0.71073","MoKα","","0.0282","0.0225","","","0.0519","0.0528","","","","","","0.916","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019395","7.1998","0.0006","17.7305","0.0013","6.7135","0.0006","90","","115.668","0.009","90","","772.45","0.12","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ-bromido-μ~4~-[1,4-bis(pyridazin-4-yl)benzene- -1:2:3:4κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^]dicopper(I)]","","- C14 H10 Br2 Cu2 N4 -","- C14 H10 Br2 Cu2 N4 -","- C28 H20 Br4 Cu4 N8 -","2","0.5","SF3217","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Anion···π interactions in copper(I) chloride and bromide coordination polymers bearing 1,4-bis(pyridazin-4-yl)benzene ligands","Acta Crystallographica Section C","2014","70","2","173","177","10.1107/S2053229613034840","","","0.71073","MoKα","","0.0375","0.0305","","","0.0727","0.0744","","","","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019396","11.417","0.002","15.127","0.003","13.953","0.003","90","","113.56","0.03","90","","2208.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'][μ~2~-2,2'-(diazenediyl)dibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']cadmium(II)]","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","FN3160","Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya","A two-dimensional bilayered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid","Acta Crystallographica Section C","2014","70","2","178","181","10.1107/S2053229613034591","","","0.71073","MoKα","","0.0392","0.0269","","","0.059","0.0648","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019397","25.3826","0.0008","18.3013","0.0005","15.0344","0.0005","90","","122.244","0.001","90","","5907","0.3","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~3~-cyclohexane-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate]","","- C54 H66 N12 O18 Zn3 -","- C54 H66 N12 O18 Zn3 -","- C216 H264 N48 O72 Zn12 -","4","0.5","SK3520","Zhong, Kai-Long","A novel three-dimensional Zn^II^ coordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2014","70","2","189","193","10.1107/S2053229613034347","","","0.71073","MoKα","","0.0487","0.0356","","","0.092","0.098","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019398","13.182","0.003","13.214","0.003","12.374","0.003","90","","91.58","0.03","90","","2154.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[trimethylsulfonium [[dichloridoantimony(III)]-di-μ-chlorido]]","","- C3 H9 Cl4 S Sb -","- C3 H9 Cl4 S Sb -","- C24 H72 Cl32 S8 Sb8 -","8","1","KU3119","Liu, Ming-Liang; Kong, Li-Hui","Two novel trimethylsulfonium salts with polymeric {[SbCl~4~]^{-^}}~<i>n~</i> or {[CdCl~3~]^{-^}}~<i>n~</i> anions","Acta Crystallographica Section C","2014","70","2","169","172","10.1107/S2053229613034207","","","0.71073","MoKα","","0.0225","0.0204","","","0.0443","0.0448","","","","","","1.217","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019399","6.7443","0.0013","9.005","0.0018","15.224","0.003","90","","90","","90","","924.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[trimethylsulfonium [cadmium(II)-tri-μ-chlorido]]","","- C3 H9 Cd Cl3 S -","- C3 H9 Cd Cl3 S -","- C12 H36 Cd4 Cl12 S4 -","4","1","KU3119","Liu, Ming-Liang; Kong, Li-Hui","Two novel trimethylsulfonium salts with polymeric {[SbCl~4~]^{-^}}~<i>n~</i> or {[CdCl~3~]^{-^}}~<i>n~</i> anions","Acta Crystallographica Section C","2014","70","2","169","172","10.1107/S2053229613034207","","","0.71073","MoKα","","0.0313","0.0293","","","0.0754","0.0768","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019400","5.102","0.001","14.464","0.003","9.226","0.0018","90","","104.74","0.03","90","","658.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium [nickel(II)/iron(II)] iron(III) bis(orthophosphate)","","- Fe1.07 K Ni0.93 O8 P2 -","- Fe1.069 K Ni0.931 O8 P2 -","- Fe4.276 K4 Ni3.724 O32 P8 -","4","1","KU3117","Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","KNi~0.93~Fe^II^~0.07~Fe^III^(PO~4~)~2~: a new type of structure for a compound of composition <i>M</i>^I^<i>M</i>^II^<i>M</i>^III^(PO~4~)~2~","Acta Crystallographica Section C","2014","70","2","160","164","10.1107/S2053229614000679","","","0.71073","MoKα","","0.0307","0.0228","","","","0.0518","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019401","30.712","0.006","16.82","0.003","10.588","0.002","90","","90","","90","","5469.5","1.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-carbonato-κ^4^<i>O</i>:<i>O</i>'-tetra-μ~3~-oxido-tetracobalt(III) pentadecahydrate","","- C42 H62 Co4 N8 O25 -","- C42 H58 Co4 N8 O25 -","- C168 H232 Co16 N32 O100 -","4","0.5","BG3165","Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li","A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex","Acta Crystallographica Section C","2014","70","2","198","201","10.1107/S2053229614001107","","","0.71073","MoKα","","0.0677","0.0424","","","0.1061","0.1188","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019402","6.0687","0.0003","6.7263","0.0004","9.8005","0.0003","97.858","0.004","95.503","0.004","100.655","0.004","386.44","0.03","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)dipyridinium bis(perchlorate)","","- C12 H14 Cl2 N2 O8 -","- C12 H14 Cl2 N2 O8 -","- C12 H14 Cl2 N2 O8 -","1","0.5","LG3130","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav","Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate","Acta Crystallographica Section C","2014","70","2","230","235","10.1107/S2053229614000576","","","0.7107","MoKα","","0.0336","0.0296","","","0.1006","0.1039","","","","","","1.79","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019403","8.2189","0.0005","9.6676","0.0006","9.8361","0.0004","90","","98.359","0.004","90","","773.24","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1'-(Ethane-1,2-diyl)dipyridinium peroxodisulfate","1,1'-(Ethane-1,2-diyl)dipyridinium hexaoxo-μ-peroxo-disulfate(2-)","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","0.5","LG3130","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav","Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate","Acta Crystallographica Section C","2014","70","2","230","235","10.1107/S2053229614000576","","","0.7107","MoKα","","0.0309","0.0283","","","0.0907","0.0923","","","","","","1.71","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019404","8.9697","0.0011","9.33","0.0009","19.9254","0.0012","90","","93.846","0.008","90","","1663.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","SF3215","Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","Acta Crystallographica Section C","2014","70","2","210","215","10.1107/S2053229613034839","","","0.71073","MoKα","","0.1286","0.0601","","","0.1356","0.1703","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019405","9.446","0.0017","11.0868","0.0018","15.8195","0.0016","90","","90","","90","","1656.7","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","SF3215","Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","Acta Crystallographica Section C","2014","70","2","210","215","10.1107/S2053229613034839","","","0.71073","MoKα","","0.0592","0.0416","","","0.0935","0.1047","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019406","10.604","0.001","10.604","0.001","39.96","0.009","90","","90","","90","","4493.3","1.2","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","Bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","","- C42 H57 Cl7 N2 O3 -","- C42 H57 Cl7 N2 O3 -","- C168 H228 Cl28 N8 O12 -","4","0.5","EM3064","Cai, Xiao-Qing; Jin, Zhi Min","A hydrogen-bonded three-component complex: bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","Acta Crystallographica Section C","2014","70","2","207","209","10.1107/S2053229613033810","","","0.71073","MoKα","","0.064","0.0579","","","0.1447","0.1461","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019407","10.014","0.002","9.758","0.002","13.667","0.003","90","","98.668","0.008","90","","1320.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[dichloridomanganese(II)]-μ-1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azaniumylylidene)]dibut-1-en-1-olate-κ^2^<i>O</i>:<i>O</i>']","","- C26 H30 Cl2 Mn N2 O2 -","- C26 H30 Cl2 Mn N2 O2 -","- C52 H60 Cl4 Mn2 N4 O4 -","2","1","EM3065","Zhang, Qi-Long; Pan, Lu-Tai","A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azanediyl)]dibut-2-en-1-one with MnCl~2~·4H~2~O","Acta Crystallographica Section C","2014","70","1","16","18","10.1107/S2053229613032531","","","0.71073","MoKα","","0.0485","0.0353","","","0.0653","0.0703","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019408","7.6621","0.0005","10.8241","0.0007","11.0422","0.0007","105.078","0.006","106.456","0.006","96.677","0.005","830","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4-bromophenyl)-1<i>H</i>-benzimidazole","","- C19 H12 Br2 N2 -","- C19 H12 Br2 N2 -","- C38 H24 Br4 N4 -","2","1","FG3315","González-Padilla, Jazmin E.; Rosales-Hernández, Martha C.; Padilla-Martínez, Itzia I.; García-Báez, Efren V.; Rojas-Lima, Susana; Salazar-Pereda, Veronica","π-stacking and C—<i>X</i>···<i>D</i> (<i>X</i> = H, NO~2~; <i>D</i> = O, π) interactions in the crystal network of both C—H···N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1<i>H</i>-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2014","70","1","55","59","10.1107/S2053229613033329","","","1.54184","CuKα","","0.0782","0.0463","","","0.1115","0.129","","","","","","1.01","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019409","7.8689","0.0004","10.0444","0.0004","11.8867","0.0005","68.534","0.004","76.677","0.004","86.869","0.004","850.35","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","","- C19 H12 Br N3 O2 -","- C19 H12 Br N3 O2 -","- C38 H24 Br2 N6 O4 -","2","1","FG3315","González-Padilla, Jazmin E.; Rosales-Hernández, Martha C.; Padilla-Martínez, Itzia I.; García-Báez, Efren V.; Rojas-Lima, Susana; Salazar-Pereda, Veronica","π-stacking and C—<i>X</i>···<i>D</i> (<i>X</i> = H, NO~2~; <i>D</i> = O, π) interactions in the crystal network of both C—H···N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1<i>H</i>-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2014","70","1","55","59","10.1107/S2053229613033329","","","1.54184","CuKα","","0.0497","0.0436","","","0.1165","0.1244","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019410","10.094","0.004","10.183","0.004","10.972","0.004","106.389","0.005","103.167","0.005","98.409","0.005","1026.4","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,1'-Bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole","","- C26 H20 N6 -","- C26 H20 N6 -","- C52 H40 N12 -","2","1","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.1175","0.0774","","","0.1788","0.1997","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019411","29.641","0.015","4.953","0.002","16.932","0.008","90","","99.236","0.011","90","","2454","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Cl2 Hg N6 -","- C26 H20 Cl2 Hg N6 -","- C104 H80 Cl8 Hg4 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0505","0.0352","","","0.0717","0.0757","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019412","24.494","0.008","6.006","0.002","17.306","0.006","90","","95.796","0.004","90","","2532.9","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dibromidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Br2 Hg N6 -","- C26 H20 Br2 Hg N6 -","- C104 H80 Br8 Hg4 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0402","0.0339","","","0.0825","0.0851","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019413","25.339","0.009","6.056","0.002","17.683","0.006","90","","98.619","0.004","90","","2682.9","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diiodidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C104 H80 Hg4 I8 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0485","0.0347","","","0.0679","0.0711","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019414","12.4298","0.0006","10.6137","0.0005","19.562","0.001","90","","99.5443","0.0007","90","","2545","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(1,3-benzothiazole-2-thiolato)bis[μ~2~-2-(benzylsulfanyl)anilinido]dichloridotripalladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C46 H46 Cl2 N6 O2 Pd3 S6 -","- C46 H46 Cl2 N6 O2 Pd3 S6 -","- C92 H92 Cl4 N12 O4 Pd6 S12 -","2","0.5","BG3169","Cross, Edward D.; MacDonald, Kristen L.; McDonald, Robert; Bierenstiel, Matthias","A trinuclear palladium(II) complex containing <i>N</i>,<i>S</i>-coordinating 2-(benzylsulfanyl)anilinide and 1,3-benzothiazole-2-thiolate ligands with a central square-planar PdN~4~ motif","Acta Crystallographica Section C","2014","70","1","23","27","10.1107/S2053229613032828","","","0.71073","MoKα","","0.0633","0.041","","","0.0816","0.0892","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019415","9.8759","0.0004","7.823","0.0003","29.0542","0.0011","90","","97.873","0.004","90","","2223.54","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Ant-Gpn-OMe","Methyl 2-[1-({2-[(<i>tert</i>-butoxycarbonyl)amino]benzamido}methyl)cyclohexyl]acetate","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C88 H128 N8 O20 -","4","1","","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation of a terminally protected βγ hybrid dipeptide Boc-Ant-Gpn-OMe stabilized by C~6~/C~7~ hydrogen bonds","Acta Crystallographica Section C","2014","70","1","46","49","10.1107/S2053229613033044","","","0.71073","MoKα","","0.0867","0.0595","","","0.1221","0.1376","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019416","11.02","0.003","12.138","0.005","23.139","0.005","85.33","0.03","79.56","0.02","74.33","0.03","2929","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(5<i>RS</i>)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[<i>g</i>]pyrimido[4,5-<i>b</i>]quinoline-4,6,11(3<i>H</i>,5<i>H</i>,12<i>H</i>)-trione","","- C23 H17 N3 O4 S -","- C23 H17 N3 O4 S -","- C138 H102 N18 O24 S6 -","6","3","YF3052","Castillo, Yelder A.; Zapata, Luis F.; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","(5<i>RS</i>)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[<i>g</i>]pyrimido[4,5-<i>b</i>]quinoline-4,6,11(3<i>H</i>,5<i>H</i>,12<i>H</i>)-trione, with <i>Z</i>' = 3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond","Acta Crystallographica Section C","2014","70","1","50","54","10.1107/S2053229613032956","","","0.71073","MoKα","","0.1383","0.0683","","","0.1274","0.1534","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019417","31.79","0.03","7.925","0.006","16.005","0.013","90","","97.69","0.03","90","","3996","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']","","- C21 H13 Cl Cu N6 O -","- C21 H13 Cl Cu N6 O -","- C168 H104 Cl8 Cu8 N48 O8 -","8","1","SK3522","Setifi, Zouaoui; Setifi, Fatima; El Ammari, Lahcen; El-Ghozzi, Malika; Sopková-de Oliveira Santos, Jana; Merazig, Hocine; Glidewell, Christopher","Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']: coordination polymer sheets linked into bilayers by hydrogen bonds","Acta Crystallographica Section C","2014","70","1","19","22","10.1107/S2053229613032804","","","0.71073","MoKα","","0.0648","0.0369","","","0.0929","0.1068","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019418","16.5","0.006","11.356","0.004","24.656","0.009","90","","90","","90","","4620","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole","","- C30 H20 N4 O -","- C30 H20 N4 O -","- C240 H160 N32 O8 -","8","1","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0635","0.0414","","","0.1032","0.1169","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019419","7.039","0.002","15.838","0.005","28.799","0.009","90","","90","","90","","3210.6","1.7","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(2,5-Bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)diiodidocadmium(II) dichloromethane monosolvate","","- C31 H22 Cd Cl2 I2 N4 O -","- C31 H22 Cd Cl2 I2 N4 O -","- C124 H88 Cd4 Cl8 I8 N16 O4 -","4","0.5","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0665","0.0482","","","0.1373","0.1587","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019420","9.432","0.0015","10.508","0.0018","14.238","0.002","88.717","0.002","85.154","0.002","67.344","0.002","1297.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[(2,5-bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)copper(I)]","","- C60 H40 Cu2 I2 N8 O2 -","- C60 H40 Cu2 I2 N8 O2 -","- C60 H40 Cu2 I2 N8 O2 -","1","0.5","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0431","0.0365","","","0.0869","0.0908","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019421","14.824","0.002","17.755","0.002","9.863","0.0014","90","","118.615","0.002","90","","2278.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate]","","- C22 H22 N6 O5 Zn -","- C22 H22 N6 O5 Zn -","- C88 H88 N24 O20 Zn4 -","4","0.5","QS3033","Shen, Hong","A fivefold interpenetrating diamondoid three-dimensional metal‒organic framework constructed from benzene-1,4-diacetic acid and flexible triazole derivatives: poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate]","Acta Crystallographica Section C","2014","70","1","28","30","10.1107/S2053229613033305","","","0.71073","MoKα","","0.0504","0.0363","","","0.0773","0.0816","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019422","7.7015","0.0003","14.3265","0.0005","8.1324","0.0003","90","","117.741","0.0014","90","","794.16","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium monohydrogen arsenate(V) dihydrate","","- As Cs2 H5 O6 -","- As Cs2 H5 O6 -","- As4 Cs8 H20 O24 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0199","0.0145","","","0.023","0.0245","","","","","","1.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019423","7.4764","0.0005","14.1898","0.001","7.9535","0.0006","90","","116.88","0.002","90","","752.61","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium monohydrogen phosphate(V) dihydrate","","- Cs2 H5 O6 P -","- Cs2 H5 O6 P -","- Cs8 H20 O24 P4 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.022","0.0197","","","0.0323","0.0332","","","","","","1.61","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019424","7.6087","0.0005","13.7823","0.0003","7.926","0.0003","90","","119.074","0.006","90","","726.43","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium monohydrogen arsenate(V) dihydrate","","- As H5 O6 Rb2 -","- As H5 O6 Rb2 -","- As4 H20 O24 Rb8 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0413","0.0199","","","0.0243","0.0273","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019425","7.364","0.0007","13.6496","0.0013","7.7341","0.0008","90","","118.176","0.002","90","","685.28","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium monohydrogen phosphate(V) dihydrate","","- H5 O6 P Rb2 -","- H5 O6 P Rb2 -","- H20 O24 P4 Rb8 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0418","0.0303","","","0.0376","0.0386","","","","","","1.87","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019426","7.9521","0.0002","8.0939","0.0002","8.6271","0.0002","78.621","0.001","80.7","0.001","79.769","0.001","531.07","0.02","105","2","105","2","","","","","","","","4","P -1","-P 1","2","Trimesic acid‒pyrazine <i>N</i>,<i>N</i>'-dioxide (2/1)","Benzene-1,3,5-tricarboxylic acid‒pyrazine <i>N</i>,<i>N</i>'-dioxide (2/1)","","- C22 H16 N2 O14 -","- C22 H16 N2 O14 -","- C22 H16 N2 O14 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular ladder-like network from trimesic acid and pyrazine <i>N</i>,<i>N</i>'-dioxide","Acta Crystallographica Section C","2014","70","1","43","45","10.1107/S2053229613032737","","","0.71073","MoKα","","0.0399","0.0358","","","0.1042","0.1081","","","","","","1.03","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2019427","16.1492","0.0009","14.8618","0.0009","13.1617","0.0011","90","","125.86","0.002","90","","2560.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[2-(aminomethyl)pyridine]di-μ~6~-oxalato-chromium(III)potassium(I)]","","- C10 H8 Cr K N2 O8 -","- C10 H8 Cr K N2 O8 -","- C80 H64 Cr8 K8 N16 O64 -","8","1","","Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Ponou, Siméon; Dahaoui, Slimane; Lambi Ngolui, John; Lecomte, Claude","A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ~6~-oxalato-chromium(III)potassium(I)]","Acta Crystallographica Section C","2014","70","1","12","15","10.1107/S205322961303088X","","","0.71073","MoKα","","","0.034","","","","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019428","6.2801","0.0019","13.845","0.004","17.478","0.005","90","","90","","90","","1519.7","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentacerium dilithium heptastannide","","- Ce5 Li1.97 Sn7.03 -","- Ce5 Li1.9731 Sn7.0269 -","- Ce20 Li7.8924 Sn28.1076 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0415","0.0423","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019429","6.2415","0.0017","13.758","0.004","17.379","0.005","90","","90","","90","","1492.3","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentapreseodymium dilithium heptastannide","","- Li1.98 Pr5 Sn7.02 -","- Li1.9796 Pr5 Sn7.0204 -","- Li7.9184 Pr20 Sn28.0816 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.02","0.0194","","","0.045","0.0453","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019430","6.2109","0.0006","13.6894","0.0014","17.2868","0.0017","90","","90","","90","","1469.8","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentaneodymium dilithium heptastannide","","- Li1.99 Nd5 Sn7.01 -","- Li1.994 Nd5 Sn7.006 -","- Li7.976 Nd20 Sn28.024 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0273","0.0247","","","0.0578","0.0589","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019431","6.1666","0.0019","13.556","0.004","17.141","0.005","90","","90","","90","","1432.9","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentasamarium dilithium heptastannide","","- Li2 Sm5 Sn7 -","- Li2 Sm5 Sn7 -","- Li8 Sm20 Sn28 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0396","0.0406","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019432","9.1018","0.0003","13.6319","0.0004","13.592","0.0004","90","","93.545","0.002","90","","1683.2","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0475","0.0358","","","0.0971","0.1062","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019433","13.2948","0.0006","11.0251","0.0004","14.0788","0.0005","90","","117.566","0.002","90","","1829.36","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0593","0.0434","","","0.1192","0.1301","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019434","6.9763","0.0004","17.8163","0.0008","14.9545","0.0008","90","","96.751","0.002","90","","1845.83","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0704","0.0436","","","0.1105","0.1242","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019435","8.794","0.009","11.696","0.007","12.854","0.008","90","","90","","90","","1322.1","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Nitro-1,3,5,2,4-trithiadiazepine","","- C2 H N3 O2 S3 -","- C2 H N3 O2 S3 -","- C16 H8 N24 O16 S24 -","8","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0796","0.0596","","","0.1457","0.1578","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019436","11.182","0.002","8.436","0.002","8.609","0.002","90","","91.36","0.02","90","","811.9","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","6,7-Dinitro-1,3,5,2,4-trithiadiazepine","","- C2 N4 O4 S3 -","- C2 N4 O4 S3 -","- C8 N16 O16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0265","0.025","","","0.0651","0.0658","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019437","3.897","0.001","16.881","0.009","10.91","0.004","90","","90","","90","","717.7","0.5","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","6,7-dicyano-1,3,5,2,4-trithiadiazepine","1,3,5,2,4-Trithiadiazepine-6,7-dicarbonitrile","","- C4 N4 S3 -","- C4 N4 S3 -","- C16 N16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0678","0.0424","","","0.088","0.0937","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019438","8.647","0.003","5.862","0.001","14.674","0.004","90","","102.21","0.03","90","","727","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Acetyl-1,3,5,2,4,6-trithiatriazene","","- C3 H3 N3 O S3 -","- C3 H3 N3 O S3 -","- C12 H12 N12 O4 S12 -","4","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0389","0.0387","","","0.1069","0.1072","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019439","7.2128","0.0007","17.7448","0.0017","19.3945","0.0018","90","","93.999","0.002","90","","2476.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(adeninium) zoldronate tetrahydrate","Bis(6-amino-7<i>H</i>-purin-1-ium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-1-yl)-1-phosphonatoethyl]phosphonate tetrahydrate","","- C15 H28 N12 O11 P2 -","- C15 H28 N12 O11 P2 -","- C60 H112 N48 O44 P8 -","4","1","SF3214","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Tetra- and hexahydrates of bis(adeninium) zoledronate","Acta Crystallographica Section C","2014","70","1","67","74","10.1107/S2053229613033172","","","0.71073","MoKα","","0.0653","0.0598","","","0.1359","0.1393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019440","7.2742","0.0006","10.7987","0.0009","17.6202","0.0015","102.38","0.001","94.254","0.001","93.223","0.001","1344.49","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Bis(adeninium) zoldronate hexahydrate","Bis(6-amino-7<i>H</i>-purin-1-ium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-1-yl)-1-phosphonatoethyl]phosphonate hexahydrate","","- C15 H28 N12 O11 P2 -","- C15 H32 N12 O13 P2 -","- C30 H64 N24 O26 P4 -","2","1","SF3214","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Tetra- and hexahydrates of bis(adeninium) zoledronate","Acta Crystallographica Section C","2014","70","1","67","74","10.1107/S2053229613033172","","","0.71073","MoKα","","0.0663","0.0558","","","0.132","0.1402","","","","","","1.129","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019441","9.605","0.007","10.749","0.007","13.01","0.009","91.524","0.011","107.539","0.01","93.855","0.01","1276.3","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-azido-diazidodiethanolbis{μ~2~-2-[(hydroxyimino)methyl]-6-methoxyphenolato}bis{μ~3~-2-[(oxidoimino)methyl]-6-methoxyphenolato}dicobalt(II)dicobalt(III) ethanol disolvate","","- C40 H54 Co4 N16 O16 -","- C40 H54 Co4 N16 O16 -","- C40 H54 Co4 N16 O16 -","1","0.5","SF3224","Yao, Tiantian; Lu, Jing; Li, Dacheng; Dou, Jianmin","A mixed-valence complex of cobalt based on 3-methoxysalicylaldoxime","Acta Crystallographica Section C","2014","70","4","364","367","10.1107/S2053229614005245","","","0.71073","MoKα","","0.1503","0.0628","","","0.1198","0.1578","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019442","10.4495","0.0003","10.7805","0.0004","15.736","0.0005","71.949","0.001","73.034","0.001","82.44","0.001","1610.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","iron(III)chlorooctaethylporphyrin","Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Cl Fe N4 -","- C36 H44 Cl Fe N4 -","- C72 H88 Cl2 Fe2 N8 -","2","1","SF3221","Kohnhorst, Saifon A.; Haller, Kenneth J.","Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III): a new triclinic polymorph of Fe(OEP)Cl","Acta Crystallographica Section C","2014","70","4","368","374","10.1107/S2053229614005002","","","0.71073","MoKα","","0.0673","0.0508","","","0.1347","0.1477","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019443","5.3822","0.0001","5.3822","0.0001","34.6521","0.0008","90","","90","","120","","869.32","0.03","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Hexapotassium octairon(II,III) dodecaphosphonate","","- Fe8.27 H12 K6 O36 P12 -","- Fe8.271 H12 K6 O36 P12 -","- Fe8.271 H12 K6 O36 P12 -","1","0.0277778","FN3162","Hamchaoui, Farida; Alonzo, Véronique; Rebbah, Houria; Le Fur, Eric","K~6~[Fe~8.27~(HPO~3~)~12~]: a new mixed-valence iron phosphite","Acta Crystallographica Section C","2014","70","4","351","354","10.1107/S2053229614004021","","","0.71073","MoKα","","","0.0266","","","","0.0699","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019444","6.9562","0.0015","8.3067","0.0017","28.343","0.006","90","","96.458","0.003","90","","1627.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dihydroberberine","9,10-Dimethoxy-6,8-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]isoquinolino[3,2-<i>a</i>]isoquinoline","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","FN3163","Pingali, Subramanya; Donahue, James P.; Payton-Stewart, Florastina","Weak C—H···<i>X</i> (<i>X</i> = O, N) hydrogen bonds in the crystal structure of dihydroberberine","Acta Crystallographica Section C","2014","70","4","388","391","10.1107/S2053229614003751","","","0.71073","MoKα","","0.0423","0.0405","","","0.1017","0.1036","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019445","9.5055","0.0004","9.9638","0.0004","11.0646","0.0005","88.679","0.002","76.223","0.002","73.819","0.002","976.42","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,3-Diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol iodide‒1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol‒water (1/1/1)","","- C12 H33 I N6 O7 -","- C12 H33 I N6 O7 -","- C24 H66 I2 N12 O14 -","2","1","KU3125","Neis, Christian; Hegetschweiler, Kaspar","Hydrogen bonding in polyamino-polyalcohols: a monohydrated cocrystal of 1,3-diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol iodide and 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol","Acta Crystallographica Section C","2014","70","4","396","399","10.1107/S2053229614005038","","","0.71073","MoKα","","0.0205","0.0195","","","0.0545","0.0551","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019446","10.343","0.0005","14.1199","0.0008","25.301","0.0013","101.243","0.003","90.478","0.002","90.83","0.002","3623.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","Di-μ-perfluoroheptanoato-κ^4^<i>O</i>:<i>O</i>'-bis[dicarbonyl(dimethyl sulfoxide-κ<i>S</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>)","","- C22 H12 F26 O10 Ru2 S2 -","- C22 H12 F26 O10 Ru2 S2 -","- C88 H48 F104 O40 Ru8 S8 -","4","2","EG3153","Zimmermann, Teresa K.; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.","Structure and catalytic activity of the ruthenium(I) sawhorse-type complex [Ru~2~{μ,η^2^-CF~3~(CF~2~)~5~COO}~2~(DMSO)~2~(CO)~4~]","Acta Crystallographica Section C","2014","70","4","384","387","10.1107/S2053229614006354","","","0.71073","MoKα","","0.0368","0.0256","","","0.0492","0.0533","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019447","11.928","0.002","18.192","0.003","19.026","0.003","90","","91.988","0.003","90","","4126","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis{μ-<i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine-κ^2^<i>N</i>^1^:<i>P</i>}disilver bis(perchlorate) acetonitrile monosolvate","","- C38 H37 Ag2 Cl2 N5 O8 P2 -","- C38 H37 Ag2 Cl2 N5 O8 P2 -","- C152 H148 Ag8 Cl8 N20 O32 P8 -","4","0.5","FG3317","Liang, Guang-Ming; Shang, Jing; Yang, Kun-Guo; Ma, Kai; Ni, Qing-Ling","Counter-anion role in the formation of two supramolecular complexes: [Ag~2~(DPP)~2~](ClO~4~)~2~·CH~3~CN and [Ag~2~(DPP)~2~(NO~3~)~2~] {DPP is <i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine}","Acta Crystallographica Section C","2014","70","4","379","383","10.1107/S2053229614005725","","","0.71073","MoKα","","0.0709","0.0447","","","0.1226","0.1389","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019448","13.448","0.005","17.498","0.006","16.006","0.005","90","","97.475","0.004","90","","3734","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-<i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine-κ^2^<i>N</i>^1^:<i>P</i>}bis[(nitrato-κ^2^<i>O</i>,<i>O</i>)silver]","","- C36 H34 Ag2 N6 O6 P2 -","- C36 H34 Ag2 N6 O6 P2 -","- C144 H136 Ag8 N24 O24 P8 -","4","1","FG3317","Liang, Guang-Ming; Shang, Jing; Yang, Kun-Guo; Ma, Kai; Ni, Qing-Ling","Counter-anion role in the formation of two supramolecular complexes: [Ag~2~(DPP)~2~](ClO~4~)~2~·CH~3~CN and [Ag~2~(DPP)~2~(NO~3~)~2~] {DPP is <i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine}","Acta Crystallographica Section C","2014","70","4","379","383","10.1107/S2053229614005725","","","0.71073","MoKα","","0.0439","0.0298","","","0.0729","0.0805","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019449","6.8549","0.0006","11.4483","0.0012","13.1369","0.0014","90","","90","","90","","1030.94","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 2,3,4,5-tetrahydro-1,4-epoxy-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0682","0.0429","","","0.0744","0.0832","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019450","6.2528","0.0013","10.758","0.003","15.927","0.005","90","","90","","90","","1071.4","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 4-hydroxy-2,3,4,5-tetrahydro-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0954","0.0693","","","0.1719","0.1865","","","","","","1.192","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019451","9.4389","0.0005","11.9081","0.0005","9.2702","0.0004","90","","108.275","0.003","90","","989.41","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-4-Hydroxy-2,3,4,5-tetrahydro-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylic acid","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.1015","0.0475","","","0.097","0.1192","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019452","15.0601","0.0008","9.2204","0.0005","8.072","0.004","90","","91.668","0.01","90","","1120.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,5<i>SR</i>)-8-(trifluoromethoxy)-5,6-dihydro-1<i>H</i>-2,5-methanobenz[<i>e</i>][1,4]oxazocin-3(2<i>H</i>)-one","","- C12 H10 F3 N O3 -","- C12 H10 F3 N O3 -","- C48 H40 F12 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0729","0.0429","","","0.0919","0.1053","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019453","6.4872","0.0002","8.1478","0.0004","13.5603","0.00011","95.1691","0.0011","101.111","0.0011","98.6376","0.0017","690.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Cinnamic acid‒isoniazid (1/1)","Cinnamic acid‒pyridine-4-carbohydrazide (1/1)","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","CU3047","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey","Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone","Acta Crystallographica Section C","2014","70","4","392","395","10.1107/S2053229614003684","","","0.71073","MoKα","","0.0636","0.0452","","","0.1117","0.1225","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019454","8.8818","0.0001","21.0445","0.0004","9.0764","0.0001","90","","90","","90","","1696.5","0.04","173","2","173","2","","","","","","","","4","P b 21 a","P -2a -2ab","29","Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)isonicotinohydrazide (1/1)","Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","CU3047","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey","Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone","Acta Crystallographica Section C","2014","70","4","392","395","10.1107/S2053229614003684","","","0.71073","MoKα","","0.0457","0.0368","","","0.0829","0.0877","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019455","7.3682","0.0005","7.3682","0.0005","3.3738","0.0003","90","","90","","120","","158.63","0.02","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Magnesium gold gallium","","- Au Ga Mg -","- Au Ga Mg -","- Au3 Ga3 Mg3 -","3","0.25","KU3126","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system","Acta Crystallographica Section C","2014","70","4","355","358","10.1107/S205322961400566X","","","0.71073","MoKα","","0.0441","0.0317","","","0.0651","0.0692","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019456","4.4015","0.0003","4.4015","0.0003","8.5398","0.0007","90","","90","","120","","143.278","0.018","297","2","297","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Magnesium digold gallium","","- Au2 Ga Mg -","- Au2 Ga Mg -","- Au4 Ga2 Mg2 -","2","0.0833333","KU3126","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system","Acta Crystallographica Section C","2014","70","4","355","358","10.1107/S205322961400566X","","","0.71073","MoKα","","0.0306","0.0229","","","0.0511","0.0535","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019457","13.248","0.002","4.9913","0.001","16.312","0.006","90","","100.18","0.02","90","","1061.6","0.5","143","2","143","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-Deoxy-1'-(2,4,5-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0348","0.0303","","","0.078","0.0804","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019458","11.209","0.003","20.221","0.005","4.9699","0.0012","90","","90","","90","","1126.5","0.5","142","2","142","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1'-Deoxy-1'-(2,4,6-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0341","0.0313","","","0.0797","0.0815","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019459","6.7097","0.0009","6.8447","0.0009","23.948","0.004","90","","90","","90","","1099.8","0.3","145","2","145","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-(4-Chlorophenyl)-1'-deoxy-β-<i>D</i>-ribofuranose","","- C11 H13 Cl O4 -","- C11 H13 Cl O4 -","- C44 H52 Cl4 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0552","0.0399","","","0.085","0.0914","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019460","5.6649","0.0011","14.196","0.003","19.148","0.004","90","","90","","90","","1539.9","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)zinc(II)]","","- C17 H15 N O4 Zn -","- C17 H15 N O4 Zn -","- C68 H60 N4 O16 Zn4 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.0755","0.0516","","","0.0714","0.078","","","","","","0.835","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019461","5.6619","0.0015","14.198","0.004","19.18","0.005","90","","90","","90","","1541.8","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)cobalt(II)]","","- C17 H15 Co N O4 -","- C17 H15 Co N O4 -","- C68 H60 Co4 N4 O16 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.095","0.0773","","","0.1611","0.1742","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019462","9.373","0.0019","17.032","0.003","19.032","0.004","90","","90","","90","","3038.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyryl-<i>L</i>-alanine <i>tert</i>-butyl ester","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","EG3150","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The peptide <i>Z</i>-Aib-Aib-Aib-<small>L</small>-Ala-OtBu","Acta Crystallographica Section C","2014","70","4","405","407","10.1107/S2053229614005567","","","1.54184","CuKα","","0.049","0.0437","","","0.1355","0.1421","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019463","7.5946","0.0005","8.4284","0.0005","14.1106","0.0008","96.668","0.004","101.019","0.005","102.962","0.004","851.96","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>']","","- C16 H10 Cu N12 -","- C16 H10 Cu N12 -","- C32 H20 Cu2 N24 -","2","1","SK3539","Setifi, Zouaoui; Setifi, Fatima; Saadi, Mohamed; Rouag, Djamil-Azzeddine; Glidewell, Christopher","<i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>']: coordination polymer chains linked into a bilayer by hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","4","359","363","10.1107/S205322961400504X","","","0.71073","MoKα","","0.069","0.0492","","","0.0932","0.1008","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019464","8.854","0.001","8.854","0.001","8.854","0.001","90","","90","","90","","694.09","0.14","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pentanickel nonatin tetrazinc copper","","- Cu1.04 Ni5.2 Sn8.7 Zn4.16 -","- M10.115 Sn7.454 -","- M20.23 Sn14.908 -","2","0.0416667","","Schmetterer, Clemens; Flandorfer, Hans; Effenberger, Herta Silvia","New refinement of Ni~5.20~Sn~8.7~Zn~4.16~Cu~1.04~ and its non-isotypy with Ni~2~Sn~2~Zn","Acta Crystallographica Section C","2014","70","4","348","350","10.1107/S2053229614003660","","","0.71073","","","0.0601","0.0601","","","0.1974","0.1974","","","","","","1.092","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019466","7.1384","0.0019","18.424","0.005","17.907","0.005","90","","90.984","0.003","90","","2354.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua[5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]lead(II)]-μ-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^] dihydrate]","","- C20 H20 N6 O12 Pb -","- C20 H20 N6 O12 Pb -","- C80 H80 N24 O48 Pb4 -","4","1","WQ3057","Guo, Lei; Li, Jia-Qun; Xie, Yu-Ting; Lu, Chu-Qin; Wu, Jian-Zhong","A one-dimensional lead(II) coordination polymer with terminal and bridging 5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylate ligands","Acta Crystallographica Section C","2014","70","5","428","431","10.1107/S2053229614006883","","","0.71073","MoKα","","0.0524","0.0337","","","0.067","0.0736","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019467","13.1149","0.0003","13.9114","0.0003","23.5614","0.0007","90","","96.207","0.002","90","","4273.5","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium bromido(phthalocyaninato)manganese(II)","","- C48 H52 Br Mn N9 -","- C48 H52 Br Mn N9 -","- C192 H208 Br4 Mn4 N36 -","4","1","KY3049","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","The molecular structure of high-spin (<i>S</i> = <b>5</b> øver <b>2</b>) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)","Acta Crystallographica Section C","2014","70","5","449","451","10.1107/S2053229614007475","","","0.71073","MoKα","","0.079","0.0487","","","0.0975","0.1095","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019468","11.0975","0.0006","8.4039","0.0003","11.3732","0.0006","90","","115.564","0.007","90","","956.85","0.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^)(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)] trihydrate]","","- C18 H20 Co N2 O8 -","- C18 H19 Co N2 O7.5 -","- C36 H38 Co2 N4 O15 -","2","1","YF3058","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Cukiernik, Fabio D.; Baggio, Ricardo","The structure of {[Co(pht)(bpy)(H~2~O)]·3H~2~O}~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability","Acta Crystallographica Section C","2014","70","5","440","444","10.1107/S2053229614006950","","","0.71073","MoKα","","0.0377","0.0325","","","0.0794","0.0836","","","","","","0.954","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019469","7.0219","0.0014","14.955","0.003","8.9722","0.0018","90","","91.19","0.03","90","","942","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(1<i>H</i>-pyrazol-2-ium) pentacyanido(1<i>H</i>-pyrazole-κ<i>N</i>^2^)ferrate(III)","","- C14 H14 Fe N11 -","- C14 H14 Fe N11 -","- C28 H28 Fe2 N22 -","2","1","SF3226","Wang, Yu-Feng; Yu, Chun-Hua; Zhu, Run-Qiang","An iron(III) complex salt containing pyrazole as both ligand and counter-ion: bis(1<i>H</i>-pyrazol-2-ium) pentacyanido(1<i>H</i>-pyrazole-κ<i>N</i>^2^)ferrate(III)","Acta Crystallographica Section C","2014","70","5","437","439","10.1107/S2053229614007128","","","0.71073","MoKα","","0.0359","0.0332","","","0.0696","0.071","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019470","13.342","0.007","5.853","0.003","15.404","0.008","90","","90","","90","","1202.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","","- C5 H14 Cd Cl4 N2 -","- C5 H14 Cd Cl4 N2 -","- C20 H56 Cd4 Cl16 N8 -","4","1","WQ3059","Wu, De-Hong","A one-dimensional ladder-like six-coordinate cadmium polymer: <i>catena</i>-poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","Acta Crystallographica Section C","2014","70","5","445","448","10.1107/S205322961400655X","","","0.71073","MoKα","","0.0261","0.0227","","","0.0472","0.0478","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019471","10.818","0.0004","21.0893","0.0008","12.2199","0.0005","90","","107.844","0.002","90","","2653.78","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1,10-phenanthroline","","- C18 H12 N2 -","- C18 H12 N2 -","- C144 H96 N16 -","8","2","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0783","0.0451","","","0.1102","0.1286","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019472","7.5798","0.0008","10.693","0.0012","10.9157","0.0012","103.713","0.003","90.801","0.003","104.707","0.003","828.75","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-Phenyl-1,10-phenanthrolin-1-ium hexafluoridophosphate","","- C18 H13 F6 N2 P -","- C18 H13 F6 N2 P -","- C36 H26 F12 N4 P2 -","2","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.775","synchrotron","","0.0664","0.0586","","","0.1657","0.1736","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019473","7.6682","0.0002","10.7446","0.0004","11.1174","0.0004","104.848","0.002","95.687","0.002","100.439","0.002","860.48","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-Phenyl-1,10-phenanthrolin-1-ium trifluoromethanesulfonate","","- C19 H13 F3 N2 O3 S -","- C19 H13 F3 N2 O3 S -","- C38 H26 F6 N4 O6 S2 -","2","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0391","0.0352","","","0.0984","0.1022","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019474","14.7934","0.0003","10.7307","0.0003","23.3067","0.0005","90","","92.593","0.002","90","","3696","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Phenyl-1,10-phenanthrolin-1-ium tetrachloridoaurate(III)","","- C18 H13 Au Cl4 N2 -","- C18 H13 Au Cl4 N2 -","- C144 H104 Au8 Cl32 N16 -","8","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0286","0.025","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019475","7.2285","0.0011","19.897","0.003","11.2322","0.0016","90","","97.283","0.002","90","","1602.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Phenyl-1,10-phenanthrolin-1-ium bromide dihydrate","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C72 H68 Br4 N8 O8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.7749","synchrotron","","0.0684","0.0616","","","0.1289","0.1319","","","","","","1.168","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019476","7.1497","0.0001","18.4625","0.0003","13.0648","0.0002","90","","102.727","0.001","90","","1682.2","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(2-phenyl-1,10-phenanthroline-κ<i>N</i>^10^)gold(III)","","- C18 H12 Au Cl3 N2 -","- C18 H12 Au Cl3 N2 -","- C72 H48 Au4 Cl12 N8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0261","0.0227","","","0.0593","0.0611","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019477","7.9946","0.0002","19.2773","0.0005","10.3823","0.0002","90","","103.408","0.001","90","","1556.45","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2-phenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C18 H12 Cl2 Cu N2 -","- C18 H12 Cl2 Cu N2 -","- C72 H48 Cl8 Cu4 N8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0333","0.0287","","","0.0746","0.0777","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019478","7.8956","0.0007","9.6681","0.0008","19.0436","0.0016","90","","99.96","0.001","90","","1431.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromido[2-(phenanthrolin-2-yl)phenyl-κ^3^<i>C</i>^1^,<i>N</i>,<i>N</i>')palladium(II)","","- C18 H11 Br N2 Pd -","- C18 H11 Br N2 Pd -","- C72 H44 Br4 N8 Pd4 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.7749","synchrotron","","0.0414","0.0332","","","0.0802","0.0839","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019479","17.291","0.0017","12.5737","0.0005","21.8534","0.0005","90","","90","","90","","4751.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(ethylamine-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C112 H288 Cl32 N32 Pt16 -","16","2","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0258","0.0188","","","0.0386","0.0409","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019480","6.38","0.0004","9.9376","0.0009","12.7899","0.0008","108.733","0.007","91.463","0.005","106.893","0.007","728.46","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichlorido(3-methoxyaniline-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C12 H20 Cl2 N2 O Pt -","- C12 H20 Cl2 N2 O Pt -","- C24 H40 Cl4 N4 O2 Pt2 -","2","1","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0203","0.0186","","","0.0374","0.0382","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019481","10.892","0.0019","11.3011","0.0008","13.199","0.003","90","","112.68","0.02","90","","1499.1","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-dichlorido(piperidine-κ<i>N</i>)(quinoline-κ<i>N</i>)platinum(II)","","- C14 H18 Cl2 N2 Pt -","- C14 H18 Cl2 N2 Pt -","- C56 H72 Cl8 N8 Pt4 -","4","1","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0281","0.0247","","","0.0581","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019482","8.8053","0.0003","10.9821","0.0004","9.008","0.0006","90","","118.51","0.003","90","","765.45","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6<i>R</i>*,11<i>R</i>*)-5-Acetyl-11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.0455","0.036","","","0.0772","0.0807","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019483","15.2894","0.0016","10.76","0.002","10.538","0.002","90","","100.99","0.011","90","","1701.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>,11<i>SR</i>)-5-Acetyl-11-ethyl-2-methyl-6,11-dihydro-\ 5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.1051","0.0586","","","0.1302","0.1548","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019484","9.2283","0.0011","16.691","0.002","11.9824","0.0018","90","","103.82","0.011","90","","1792.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(6<i>RS</i>,11<i>SR</i>)-5-Acetyl-11-ethyl-1,3-dimethyl-6,11-dihydro-\ 5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.1188","0.0575","","","0.0998","0.1195","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019485","8.8762","0.0008","14.2372","0.0014","9.5878","0.0009","90","","104.964","0.002","90","","1170.54","0.19","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-(1,1'-dimethyl-4,4'-bipyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)]","","- C8 H10 Cl2 Co N4 -","- C8 H10 Cl2 Co N4 -","- C32 H40 Cl8 Co4 N16 -","4","1","OV3046","Domasevitch, Konstantin V.","Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand","Acta Crystallographica Section C","2014","70","3","272","276","10.1107/S2053229614002046","","","0.71073","MoKα","","0.0462","0.0316","","","0.0807","0.0835","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019486","9.2087","0.0008","11.1415","0.001","12.2523","0.001","63.071","0.002","83.665","0.003","72.592","0.002","1068.96","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(1,1'-dimethyl-4,4'-bipyrazole-κ<i>N</i>^2^)cobalt(II) dichloride‒1,1'-dimethyl-4,4'-bipyrazole‒water (1/2/2)","","- C32 H52 Cl2 Co N16 O6 -","- C32 H52 Cl2 Co N16 O6 -","- C32 H52 Cl2 Co N16 O6 -","1","0.5","OV3046","Domasevitch, Konstantin V.","Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand","Acta Crystallographica Section C","2014","70","3","272","276","10.1107/S2053229614002046","","","0.71073","MoKα","","0.0452","0.0397","","","0.102","0.1043","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019487","15.0769","0.0004","20.0774","0.0007","13.7166","0.0003","90","","103.711","0.0015","90","","4033.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(methanol-κ<i>O</i>)copper(II)]-μ-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^1^)pyrazin-2-amine-κ^2^<i>N</i>^1^:<i>N</i>^4^] [[aqua(aqua/methanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)]-μ-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^1^)pyrazin-2-amine-κ^2^<i>N</i>^1^:<i>N</i>^4^] tris(perchlorate) methanol monosolvate 1.42-hydrate]","","- C20.58 H38 Cl4 Cu2 N10 O23.42 -","- C20.581 H37.162 Cl4 Cu2 N10 O23.419 -","- C82.324 H148.648 Cl16 Cu8 N40 O93.676 -","4","1","OV3044","Wu, Yang; Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Peng, Shie-Ming","A coordination polymer consisting of two different one-dimensional copper(II) chains","Acta Crystallographica Section C","2014","70","3","285","288","10.1107/S2053229614002472","","","0.71073","MoKα","","0.1133","0.0636","","","0.1703","0.1938","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019488","12.6931","0.0011","13.016","0.0012","14.3559","0.0014","103.065","0.001","112.942","0.002","96.471","0.001","2073.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquabis(4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","","- C40 H36 N10 Ni O7 S2 -","- C40 H36 N10 Ni O7 S2 -","- C80 H72 N20 Ni2 O14 S4 -","2","1","SK3527","Geng, Aijing; Zhang, Qingfu; Wang, Jiajia; Zhang, Haina; Sun, Dezhi","A new one-dimensional nickel metal‒organic framework: <i>catena</i>-poly[[[diaquabis(4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section C","2014","70","3","267","271","10.1107/S2053229614002277","","","0.71073","MoKα","","0.1068","0.0524","","","0.1053","0.1199","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019489","26.9945","0.0008","3.7322","0.0003","12.6731","0.0008","90","","90","","90","","1276.8","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","SK3526","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2014","70","3","323","325","10.1107/S2053229614002447","","","0.71073","MoKα","","0.0647","0.051","","","0.1209","0.1303","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019490","27.9242","0.0004","31.1922","0.0005","32.2596","0.0005","90","","102.987","0.001","90","","27379.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)","","- C56 H116 Cl18 Cu12 O19 -","- C56 H116 Cl18 Cu12 O19 -","- C672 H1392 Cl216 Cu144 O228 -","12","3","YF3054","Wheeler, Kraig A.; Helgren, Travis R.; Clayton, Jr, Thomas W.","The bimolecular structure of aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)","Acta Crystallographica Section C","2014","70","3","306","311","10.1107/S205322961400374X","","","1.54178","CuKα","","0.0812","0.0409","","","0.0759","0.0888","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019491","10.4675","0.0007","10.5147","0.0006","13.1941","0.0008","108.426","0.003","101.31","0.004","96.791","0.003","1325.38","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-1-[(<i>N</i>,4-Dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)","","- C31 H30 Fe N O2 P S -","- C31 H30 Fe N O2.45 P S -","- C62 H60 Fe2 N2 O4.9 P2 S2 -","2","1","KU3123","Wei, Muh-Mei; Audin, Catherine; Manoury, Eric; Deydier, Eric; Daran, Jean-Claude","The cocrystal <i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)","Acta Crystallographica Section C","2014","70","3","281","284","10.1107/S2053229614002988","","","0.71073","MoKα","","0.049","0.0367","","","0.0891","0.0969","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019492","10.6881","0.0007","15.2125","0.0008","10.2455","0.0006","90","","110.391","0.007","90","","1561.46","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Diethyl-4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide","","- C32 H28 N10 O2 -","- C32 H28 N10 O2 -","- C64 H56 N20 O4 -","2","0.5","SK3538","Setifi, Zouaoui; Lehchili, Fouzia; Setifi, Fatima; Beghidja, Adel; Ng, Seik Weng; Glidewell, Christopher","1,1'-Diethyl-4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): multiple C—H···N hydrogen bonds form a complex sheet structure","Acta Crystallographica Section C","2014","70","3","338","341","10.1107/S2053229614004379","","","0.71073","MoKα","","0.0722","0.0543","","","0.1126","0.1205","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019493","8.6999","0.0004","13.1458","0.0006","13.6405","0.0005","86.201","0.003","72.482","0.003","74.886","0.003","1436.09","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","3-[(Diphenylphosphinothioyl)oxy]-<i>N</i>-methylpropan-1-aminium diphenylphosphanylthioate","","- C28 H31 N O2 P2 S2 -","- C28 H31 N O2 P2 S2 -","- C56 H62 N2 O4 P4 S4 -","2","1","QS3034","Karaman, Merve; İrişli, Sevil; Büyükgüngör, Orhan","3-[(Diphenylphosphinothioyl)oxy]-<i>N</i>-methylpropan-1-aminium diphenylphosphanylthioate","Acta Crystallographica Section C","2014","70","3","320","322","10.1107/S2053229614002757","","","0.71073","MoKα","","0.0475","0.039","","","0.1023","0.1074","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019494","8.1153","0.0016","9.3797","0.0019","13.35","0.003","93.81","0.03","105.48","0.03","114.03","0.03","876.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][μ~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]","","- C20 H13 N3 O4 Zn -","- C20 H13 N3 O4 Zn -","- C40 H26 N6 O8 Zn2 -","2","1","YP3058","Yu, Cai-Xia; Zhao, Feng; Zhou, Min; Zhi, Dan-Feng; Liu, Lei-Lei","A three-dimensional Zn^II^ coordination framework: poly[[μ~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][μ~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]","Acta Crystallographica Section C","2014","70","3","277","280","10.1107/S2053229614001077","","","0.71073","MoKα","","0.0841","0.0484","","","0.096","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019495","8.1651","0.0005","23.7109","0.0014","11.8159","0.0007","90","","94.801","0.001","90","","2279.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[3-methyl-6-[6-(6-methyl-2,3-dihydro-1,2,4,5-tetrazin-3-yl-\ κ<i>N</i>^4^)pyridin-2-yl-κ<i>N</i>]-1,4-dihydro-1,2,4,5-tetrazin-1-\ yl-κ<i>N</i>^1^]oxidovanadium(IV)","","- C16 H17.5 Cl2 N11.5 O V -","- C16 H17.5 Cl2 N11.5 O V -","- C64 H70 Cl8 N46 O4 V4 -","4","1","FA3324","Hui, Alice K.; Chen, Chun-Hsing; Terwilliger, Adam M.; Lord, Richard L.; Caulton, Kenneth G.","A tale of hydrogen abstraction, initially detected <i>via</i> X-ray diffraction","Acta Crystallographica Section C","2014","70","3","250","255","10.1107/S2053229614003234","","","0.41328","synchrotron","","0.0484","0.041","","","0.1098","0.1135","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019496","10.2729","0.0003","9.8483","0.0005","10.651","0.0003","90","","114.368","0.004","90","","981.57","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-hydrogen phosphito-κ^3^<i>O</i>:<i>O</i>':<i>O</i>')(piperidin-1-ium-4-carboxylate-κ<i>O</i>)zinc(II)]","","- C6 H12 N O5 P Zn -","- C6 H12 N O5 P Zn -","- C24 H48 N4 O20 P4 Zn4 -","4","1","FG3318","Wang, Guo-Ming; Zhao, Xiao-Meng; Zhang, Xiao; Bao, Zhen-Zhen","The inorganic‒organic hybrid zinc phosphite poly[(μ~3~-hydrogen phosphito-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')(piperidin-1-ium-4-carboxylate-κ<i>O</i>)zinc(II)]","Acta Crystallographica Section C","2014","70","3","289","291","10.1107/S2053229614003118","","","0.71073","MoKα","","0.0499","0.0415","","","0.0939","0.099","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019497","15.1501","0.0013","8.29","0.0007","12.3879","0.0011","90","","96.936","0.002","90","","1544.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5- yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]","","- C15 H11 Ag N4 O2 S -","- C15 H11 Ag N4 O2 S -","- C60 H44 Ag4 N16 O8 S4 -","4","1","EG3149","Zhang, Hai-Na; Zhang, Qing-Fu; Wang, Jia-Jia; Geng, Ai-Jing; Zhang, Chong","A one-dimensional silver(I) coordination polymer based on an asymmetric flexible <i>N</i>-donor carboxylate ligand: <i>catena</i>-poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]","Acta Crystallographica Section C","2014","70","3","292","296","10.1107/S205322961400312X","","","0.71073","MoKα","","0.0752","0.0446","","","0.1062","0.1186","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019498","5.805","0.0005","10.0561","0.0008","15.3077","0.0011","90","","90","","90","","893.6","0.12","200","1","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ammonium 3,5-dinitrobenzoate","Ammonium 3,5-dinitrobenzoate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C28 H28 N12 O24 -","4","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0547","0.0437","","","0.0949","0.1009","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019499","5.9948","0.0004","6.9049","0.0005","23.8977","0.0015","90","","93.523","0.006","90","","987.34","0.12","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium 4-nitrobenzoate dihydrate","Ammonium 4-nitrobenzoate dihydrate","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C28 H48 N8 O24 -","4","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0524","0.0404","","","0.1045","0.1075","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019500","31.968","0.004","4.3558","0.0007","13.0458","0.0014","90","","92.763","0.012","90","","1814.5","0.4","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium 2,4-dichlorobenzoate hemihydrate","Ammonium 2,4-dichlorobenzoate hemihydrate","","- C7 H8 Cl2 N O2.5 -","- C7 H8 Cl2 N O2.5 -","- C56 H64 Cl16 N8 O20 -","8","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0596","0.0449","","","0.1066","0.117","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019501","7.3088","0.0019","7.3343","0.0011","10.0658","0.0014","87.759","0.011","71.037","0.014","66.135","0.014","463.99","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5'^)dicobalt(II)] dihydrate]","","- C14 H18 Co2 N2 O14 -","- C14 H18 Co2 N2 O14 -","- C14 H18 Co2 N2 O14 -","1","0.5","BG3170","Hou, Qing-Biao; Chen, Li-Juan; Guo, Jing; Lin, Shen","A novel two-dimensional cobalt(II) complex composed of one-dimensional twisted pair-like chains: poly[[tetraaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5'^)dicobalt(II)] dihydrate]","Acta Crystallographica Section C","2014","70","3","302","305","10.1107/S2053229614003696","","","0.71073","MoKα","","0.04","0.0306","","","0.0793","0.0847","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019502","5.19817","0.00015","5.19817","0.00015","8.5865","0.0003","90","","90","","120","","200.931","0.011","295","","295","","","","","","","","","4","P 63","P 6c","173","","Potassium aluminium orthosilicate","","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","CU3046","Kremenović, Aleksandar; Vulić, Predrag","Disordered kalsilite KAlSiO~4~","Acta Crystallographica Section C","2014","70","3","256","259","10.1107/S2053229614002423","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.1601","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019503","6.001","0.0005","30.802","0.0017","8.798","0.0004","90","","90.12","0.004","90","","1626.24","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalanine","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","4","SK3518","Mossou, Estelle; Teixeira, Susana C. M.; Mitchell, Edward P.; Mason, Sax A.; Adler-Abramovich, Lihi; Gazit, Ehud; Forsyth, V. Trevor","The self-assembling zwitterionic form of <small>L</small>-phenylalanine at neutral pH","Acta Crystallographica Section C","2014","70","3","326","331","10.1107/S2053229614002563","","","0.61995","synchrotron","","0.0776","0.0641","","","0.164","0.1696","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019504","8.3602","0.0001","14.5133","0.0001","13.9874","0.0001","90","","104.967","0.001","90","","1639.57","0.03","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","","- C15 H11 Br3 Ga N3 -","- C15 H11 Br3 Ga N3 -","- C60 H44 Br12 Ga4 N12 -","4","1","OV3045","Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y.","Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","Acta Crystallographica Section C","2014","70","3","312","314","10.1107/S2053229614003349","","","1.5418","CuKα","","0.021","0.0196","","","0.0488","0.0495","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019505","8.2492","0.0002","14.177","0.0003","13.7119","0.0003","90","","104.217","0.003","90","","1554.48","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","","- C15 H11 Cl3 Ga N3 -","- C15 H11 Cl3 Ga N3 -","- C60 H44 Cl12 Ga4 N12 -","4","1","OV3045","Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y.","Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","Acta Crystallographica Section C","2014","70","3","312","314","10.1107/S2053229614003349","","","0.7107","MoKα","","0.0637","0.033","","","0.0491","0.0518","","","","","","0.82","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019506","7.2123","0.0005","13.0205","0.0008","17.0317","0.0011","77.185","0.006","80.933","0.005","83.401","0.005","1534.76","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Sodium 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoate trihydrate","","- C13 H14 N3 Na O8 -","- C13 H14 N3 Na O8 -","- C52 H56 N12 Na4 O32 -","4","2","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","0.71073","MoKα","","0.073","0.0408","","","0.1047","0.1196","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019507","4.9319","0.0005","11.6649","0.0014","21.619","0.002","90","","94.991","0.008","90","","1239","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C.I. Mordant Orange 1","2-Hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C52 H36 N12 O20 -","4","1","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","1.54186","CuKα","","0.0513","0.0406","","","0.1124","0.1191","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019508","6.0471","0.0001","34.371","0.001","6.2824","0.0002","90","","103.278","0.002","90","","1270.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium 2-hydroxy-5-[(<i>E</i>)-phenyldiazenyl]benzoate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","1.54186","CuKα","","0.0764","0.0482","","","0.1254","0.1405","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019509","10.239","0.002","12.191","0.002","13.91","0.003","94.6","0.03","93.75","0.03","99.87","0.03","1699.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-4,4'-bipyridine)(μ~4~-naphthalene-1,4-dicarboxylato)(μ~2~-naphthalene-1,4-dicarboxylato)dizinc(II)] dimethylformamide monosolvate monohydrate]","","- C37 H29 N3 O10 Zn2 -","- C37 H29 N3 O10 Zn2 -","- C74 H58 N6 O20 Zn4 -","2","1","SK3543","Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping","A twofold interpenetrating three-dimensional zinc‒organic framework built from naphthalene-1,4-dicarboxylate and 4,4'-bipyridine ligands","Acta Crystallographica Section C","2014","70","5","498","501","10.1107/S2053229614008407","","","0.71073","MoKα","","0.0792","0.0566","","","0.1259","0.1375","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019510","13.409","0.004","8.564","0.002","15.535","0.004","90","","93.842","0.005","90","","1779.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C80 H60 Cd4 N12 O20 -","4","1","","Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen","Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands","Acta Crystallographica Section C","2014","70","5","488","492","10.1107/S2053229614007992","","","0.71073","MoKα","","0.0305","0.0291","","","0.0738","0.075","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019511","11.46","0.002","16.543","0.003","14.674","0.003","90","","90","","90","","2781.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[diaquabis[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C32 H26 Co N6 O6 -","- C32 H26 Co N6 O6 -","- C128 H104 Co4 N24 O24 -","4","1","","Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen","Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands","Acta Crystallographica Section C","2014","70","5","488","492","10.1107/S2053229614007992","","","0.71073","MoKα","","0.0413","0.0399","","","0.107","0.1084","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019512","13.923","0.005","6.807","0.004","15.166","0.005","90","","95.76","0.03","90","","1430.1","1.1","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole","<i>N</i>-[5-(morpholin-4-yl)-3<i>H</i>-1,2,4-diselenazol-3-ylidene]benzamide","","- C13 H13 N3 O2 Se2 -","- C13 H13 N3 O2 Se2 -","- C52 H52 N12 O8 Se8 -","4","1","KY3053","Linden, Anthony; Zhou, Yuehui; Heimgartner, Heinz","Intra- and intermolecular Se···<i>X</i> (<i>X</i> = Se, O) interactions in selenium-containing heterocycles: 3-benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole","Acta Crystallographica Section C","2014","70","5","482","487","10.1107/S2053229614008237","","","0.71073","MoKα","","0.093","0.0377","","","0.08","0.0919","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019513","10.7284","0.0004","23.9422","0.0011","12.0949","0.0006","90","","97.311","0.004","90","","3081.5","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diphenylphosphinothioyl)-2-{[(diphenylphosphinothioyl)sulfanyl]methyl}ferrocene","","- C35 H30 Fe P2 S3 -","- C35 H30 Fe P2 S3 -","- C140 H120 Fe4 P8 S12 -","4","1","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.038","0.0299","","","0.0719","0.0749","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019514","22.5734","0.0004","11.0824","0.0002","21.1091","0.0004","90","","105.653","0.001","90","","5084.96","0.16","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-Bis{μ-[2-(diphenylphosphanyl)ferrocen-1-yl]methanethiolato-κ^3^<i>P</i>,<i>S</i>:<i>S</i>}bis[chloridopalladium(II)] pentane disolvate","","- C56 H64 Cl2 Fe2 P2 Pd2 S2 -","- C46 H40 Cl2 Fe2 P2 Pd2 S2 -","- C184 H160 Cl8 Fe8 P8 Pd8 S8 -","4","0.5","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.026","0.0228","","","0.0489","0.0508","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019515","23.551","0.0013","11.0936","0.0003","20.7693","0.0008","90","","106.285","0.005","90","","5208.6","0.4","180.05","0.1","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-Bis{μ-[2-(diphenylphosphanyl)ferrocen-1-yl]methanethiolato-κ^3^<i>P</i>,<i>S</i>:<i>S</i>}bis[chloridoplatinum(II)] toluene monosolvate","","- C53 H48 Cl2 Fe2 P2 Pt2 S2 -","- C46 H40 Cl2 Fe2 P2 Pt2 S2 -","- C184 H160 Cl8 Fe8 P8 Pt8 S8 -","4","0.5","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.0448","0.0339","","","0.0838","0.0894","","","","","","0.846","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019516","11.9003","0.0001","17.6185","0.0003","13.7173","0.0002","90","","91.157","0.001","90","","2875.46","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dizinc(II)] monohydrate]","","- C33 H20.64 N4 O7.32 Zn2 -","- C33 H20 N4 O7.316 Zn2 -","- C132 H80 N16 O29.264 Zn8 -","4","1","WQ3051","Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E.","Zn/Mn‒MOFs with `S-shaped' packing modes","Acta Crystallographica Section C","2014","70","5","502","507","10.1107/S2053229614005828","","","0.6889","synchrotron","","0.0445","0.0413","","","0.1321","0.1344","","","","","","1.214","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019517","10.0433","0.0001","10.8307","0.0001","18.5159","0.0001","90","","93.779","0.001","90","","2009.71","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(μ~3~-hydroxido-κ^2^<i>O</i>:<i>O</i>:<i>O</i>)bis(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetramanganese(II)] 1.32-hydrate]","","- C21 H13.26 Mn2 N2 O7.63 -","- C21 H12 Mn2 N2 O7.628 -","- C84 H48 Mn8 N8 O30.512 -","4","1","WQ3051","Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E.","Zn/Mn‒MOFs with `S-shaped' packing modes","Acta Crystallographica Section C","2014","70","5","502","507","10.1107/S2053229614005828","","","1.54184","CuKα","","0.033","0.0298","","","0.0746","0.0766","","","","","","1.043","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019518","10.7474","0.0004","22.7052","0.0009","9.9647","0.0005","90","","103.39","0.004","90","","2365.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II) pentahydrate","","- C22 H26 N4 Ni O9 -","- C22 H26 N4 Ni O9 -","- C88 H104 N16 Ni4 O36 -","4","1","FN3166","Farkašová, Nela; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Synthesis, characterization and crystal structure of the new pentahydrate of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II)","Acta Crystallographica Section C","2014","70","5","477","481","10.1107/S2053229614007499","","","0.71073","MoKα","","0.037","0.0301","","","0.072","0.0767","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019519","8.2154","0.0004","8.2154","0.0004","13.1972","0.0008","90","","90","","120","","771.38","0.07","290","2","290","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8.0016 H20.004 Cl4 Fe N -","- C16.0032 H40.008 Cl8 Fe2 N2 -","2","0.166667","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0268","0.0231","","","0.0624","0.0652","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019520","24.513","0.0006","24.513","0.0006","13.0356","0.0005","90","","90","","120","","6783.5","0.4","230","2","230","2","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C144 H360 Cl72 Fe18 N18 -","18","3","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0414","0.0321","","","0.0777","0.0829","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019521","14.0182","0.0008","8.1493","0.0005","12.8767","0.0008","90","","90","","90","","1471.02","0.15","170","2","170","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.015","0.0141","","","0.0332","0.0335","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019522","13.9816","0.0006","8.1243","0.0003","12.8097","0.0006","90","","90","","90","","1455.06","0.11","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0127","0.0122","","","0.0295","0.0296","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019523","20.273","0.004","12.4463","0.0006","19.4907","0.0016","90","","113.08","0.009","90","","4524.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","","- C48 H38 Fe N14 O4 -","- C48 H38 Fe N14 O4 -","- C192 H152 Fe4 N56 O16 -","4","0.5","YF3061","Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Beghidja, Adel; Glidewell, Christopher","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate: chiral hydrogen-bonded frameworks interpenetrate in three dimensions","Acta Crystallographica Section C","2014","70","5","465","469","10.1107/S2053229614008092","","","0.71073","MoKα","","0.102","0.065","","","0.1222","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019524","4.7988","0.0001","4.7988","0.0001","9.7802","0.0002","90","","90","","120","","195.049","0.007","299","2","299","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Distrontium europium diboron disilicon dialiminium octanitride","","- Al1.88 B1.76 Eu0.1 N8.12 Si2.36 Sr1.9 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","1","0.0833333","QS3038","Funahashi, Shiro; Michiue, Yuichi; Takeda, Takashi; Xie, Rong-Jun; Hirosaki, Naoto","Substitutional disorder in Sr~2{-~<i>y</i>}Eu~<i>y~</i>B~2{-~2<i>x</i>}Si~2+3<i>x~</i>Al~2{-~<i>x</i>}N~8+<i>x~</i> (<i>x</i> ≃0.12, <i>y</i> ≃0.10)","Acta Crystallographica Section C","2014","70","5","452","454","10.1107/S2053229614007414","","","0.71073","MoKα","","0.022","0.0177","","","0.0371","0.0379","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019525","10.7379","0.0005","8.4198","0.0003","21.4724","0.0011","90","","97.618","0.004","90","","1924.21","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromido-bis[aqua(1,4,7,10,13,16-hexaoxacyclooctadecane)caesium(I)] dihydrate","","- C12 H28 Br Cs O8 -","- C12 H28 Br Cs O8 -","- C48 H112 Br4 Cs4 O32 -","4","1","SK3535","van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael","Two crown-ether-coordinated caesium halogen salts","Acta Crystallographica Section C","2014","70","5","455","459","10.1107/S2053229614006809","","","0.71073","MoKα","","0.0371","0.0346","","","0.0877","0.0895","","","","","","1.092","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2019526","14.2567","0.0006","10.4542","0.0004","16.0386","0.0005","90","","90","","90","","2390.43","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[[diaquadi-μ-chlorido-μ-(1,4,7,10,13,16-hexaoxacyclooctadecane)-dicaesium(I)] dihydrate]","","- C12 H32 Cl2 Cs2 O10 -","- C12 H32 Cl2 Cs2 O10 -","- C48 H128 Cl8 Cs8 O40 -","4","0.25","SK3535","van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael","Two crown-ether-coordinated caesium halogen salts","Acta Crystallographica Section C","2014","70","5","455","459","10.1107/S2053229614006809","","","0.71073","MoKα","","0.0305","0.0304","","","0.0827","0.0827","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019527","12.2769","0.0018","12.4664","0.0018","16.5885","0.0017","90","","116.011","0.008","90","","2281.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2,2'-(disulfanediyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>'',<i>O</i>'''](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C26 H16 Cd N2 O4 S2 -","- C26 H16 Cd N2 O4 S2 -","- C104 H64 Cd4 N8 O16 S8 -","4","1","BG3177","Jin, Yu-Xiu; Yang, Fang; Yuan, Li-Min; Yan, Chao-Guo; Liu, Wen-Long","A two-dimensional Cd^II^ coordination polymer with 2,2'-(disulfanediyl)dibenzoate and 1,10-phenanthroline ligands","Acta Crystallographica Section C","2014","70","5","517","521","10.1107/S2053229614009036","","","0.71073","MoKα","","0.0772","0.0395","","","0.0678","0.079","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019528","7.0869","0.0002","6.9749","0.0002","9.8196","0.0003","90","","91.393","0.001","90","","485.24","0.02","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dihydronium sodium trialuminum(III) dodecafluoride","Dihydronium sodium tris(tetrafluoroaluminate)","","- Al3 F12 H6 Na O2 -","- Al3 F12 H6 Na O2 -","- Al6 F24 H12 Na2 O4 -","2","0.5","EG3155","Jouffret, Laurent; Lhoste, Jerome; Hemon-Ribaud, Annie; Leblanc, Marc; Maisonneuve, Vincent","(H~3~O)~2~NaAl~3~F~12~, isostructural with <i>A</i>~2~NaAl~3~F~12~ (<i>A</i> = K^+^, Rb^+^, Cs^+^) fluorides having HTB-type sheets","Acta Crystallographica Section C","2014","70","5","512","516","10.1107/S205322961400919X","","","0.71073","MoKα","","0.0284","0.0281","","","0.0831","0.0835","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019529","9.4555","0.0003","9.9522","0.0004","12.8809","0.0005","82.536","0.003","80.868","0.003","64.345","0.003","1076.23","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","[Bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0)","","- C15 H16 F5 Mo N2 O7 P -","- C15 H16 F5 Mo N2 O7 P -","- C30 H32 F10 Mo2 N4 O14 P2 -","2","1","EG3158","Petrochko, Natalia G.; Peters, R. Gregory; Baughman, Russell G.","Two molybdenum pentacarbonyl complexes with electroneutral phosphane ligands: [bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0) and pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","2014","70","5","508","511","10.1107/S2053229614007165","","","0.71073","MoKα","","0.028","0.0258","","","0.0689","0.0704","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019530","10.4472","0.0003","15.8563","0.0006","14.0067","0.0006","90","","105.11","0.003","90","","2240.05","0.15","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","","- C17 H20 F5 Mo N2 O5 P -","- C17 H20 F5 Mo N2 O5 P -","- C68 H80 F20 Mo4 N8 O20 P4 -","4","1","EG3158","Petrochko, Natalia G.; Peters, R. Gregory; Baughman, Russell G.","Two molybdenum pentacarbonyl complexes with electroneutral phosphane ligands: [bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0) and pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","2014","70","5","508","511","10.1107/S2053229614007165","","","0.71073","MoKα","","0.0383","0.0284","","","0.068","0.0724","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019531","10.3883","0.0005","15.8826","0.0008","16.3309","0.0012","90","","97.949","0.006","90","","2668.6","0.3","140","5","140","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[dinitratocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] dichloromethane monosolvate acetonitrile monosolvate]","","- C25 H21 Cl2 Co N7 O6 -","- C25 H21 Cl2 Co N7 O6 -","- C100 H84 Cl8 Co4 N28 O24 -","4","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0893","0.0728","","","0.1859","0.2006","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2019532","18.2319","0.0008","14.2937","0.0007","18.4926","0.0008","90","","90","","90","","4819.2","0.4","289.17","0.1","289.17","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-poly[[[dichloridocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] methanol disolvate]","","- C24 H24 Cl2 Co N4 O2 -","- C24 H24 Cl2 Co N4 O2 -","- C192 H192 Cl16 Co8 N32 O16 -","8","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0851","0.0535","","","0.1135","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019533","16.158","0.015","6.986","0.006","6.81","0.006","90","","97.935","0.013","90","","761.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","5,6-Trimethylene-2-sulfanylidene-1<i>H</i>-pyrimidin-4-one","2-Sulfanylidene-1,2,3,4,6,7-hexahydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-one","","- C7 H8 N2 O S -","- C7 H8 N2 O S -","- C28 H32 N8 O4 S4 -","4","0.5","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0637","0.042","","","0.0948","0.1046","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019534","25.381","0.007","5.8848","0.0018","19.738","0.006","90","","113.626","0.004","90","","2701","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(4-Fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-one","2-[(4-Fluorobenzyl)sulfanyl]-3,4,6,7-tetrahydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-one","","- C14 H13 F N2 O S -","- C14 H13 F N2 O S -","- C112 H104 F8 N16 O8 S8 -","8","1","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0643","0.0392","","","0.0967","0.1119","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019535","17.1673","0.0012","8.1187","0.0005","23.7393","0.0016","90","","102.045","0.007","90","","3235.8","0.4","99.95","0.13","99.95","0.13","","","","","","","","6","I 1 a 1","I -2ya","9","2-(4-Fluorobenzylsulfanyl)-4-(methoxycarboxymethoxy)-5,6-trimethylenepyrimidine","Methyl 2-({2-[(4-fluorobenzyl)sulfanyl]-6,7-dihydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-yl}oxy)acetate","","- C17 H17 F N2 O3 S -","- C17 H17 F N2 O3 S -","- C136 H136 F8 N16 O24 S8 -","8","2","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0409","0.0364","","","0.0823","0.0864","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019536","9.2934","0.0006","10.968","0.001","11.7071","0.001","69.61","0.008","87.45","0.006","74.688","0.006","1077.34","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(8<i>RS</i>)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8,9-dihydro-7<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]diazepine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl3 N7 O S -","- C19 H18 Cl3 N7 O S -","- C38 H36 Cl6 N14 O2 S2 -","2","1","SF3229","Ramírez, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(8<i>RS</i>)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8,9-dihydro-7<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]diazepine <i>N</i>,<i>N</i>-dimethylformamide monosolvate: sheets built from N—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2014","70","6","536","540","10.1107/S2053229614008936","","","0.71073","MoKα","","0.075","0.042","","","0.0779","0.0898","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019537","5.8415","0.0001","7.6197","0.0001","14.2782","0.0002","76.286","0.001","81.118","0.001","88.699","0.001","609.944","0.016","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2,2'-Bi[benzo[<i>b</i>]thiophene]","","- C16 H10 S2 -","- C16 H10 S2 -","- C32 H20 S4 -","2","1","UK3096","Cheung, Eugene Y.; Pennington, Lewis D.; Bartberger, Michael D.; Staples, Richard J.","2,2'-Bi[benzo[<i>b</i>]thiophene]: an unexpected isolation of the benzo[<i>b</i>]thiophene dimer","Acta Crystallographica Section C","2014","70","6","547","549","10.1107/S2053229614009401","","","1.54178","CuKα","","0.039","0.0356","","","0.1043","0.1118","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019538","8.7679","0.0003","10.0811","0.0003","11.8549","0.0015","78.4565","0.0014","72.7596","0.0013","67.3315","0.0014","919.07","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl(imidazolidinyl-κ<i>C</i>^2^)di-μ~3~-sulfido-triiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C11 H6 Fe3 N2 O8 S2 -","- C11 H6 Fe3 N2 O8 S2 -","- C22 H12 Fe6 N4 O16 S4 -","2","1","WQ3060","Yang, Wei; Fu, Qiang; Zhao, Jing; Cheng, Huan-Ren; Shi, Yao-Cheng","Two Fe~3~(μ~3~-S)~2~(CO)~8~ clusters with terminal N-heterocyclic carbenes","Acta Crystallographica Section C","2014","70","6","528","532","10.1107/S2053229614009310","","","0.71073","MoKα","","0.0305","0.0267","","","0.0769","0.08","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019539","8.9723","0.0012","11.1249","0.0011","12.0611","0.0016","108.477","0.005","107.608","0.002","96.455","0.008","1059.1","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl(1-methylimidazo[1,5-<i>a</i>]pyridin-3-yl-κ<i>C</i>^3^)di-μ~3~-sulfido-triiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C16 H8 Fe3 N2 O8 S2 -","- C16 H8 Fe3 N2 O8 S2 -","- C32 H16 Fe6 N4 O16 S4 -","2","1","WQ3060","Yang, Wei; Fu, Qiang; Zhao, Jing; Cheng, Huan-Ren; Shi, Yao-Cheng","Two Fe~3~(μ~3~-S)~2~(CO)~8~ clusters with terminal N-heterocyclic carbenes","Acta Crystallographica Section C","2014","70","6","528","532","10.1107/S2053229614009310","","","0.71073","MoKα","","0.0348","0.0284","","","0.0766","0.0807","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019540","4.0138","0.0004","4.0138","0.0004","19.878","0.002","90","","90","","120","","277.34","0.05","304","","304","","","","","","","","","3","R -3 m :H","-R 3 2""","166","Na Gd S2","Sodium gadolinium sulfide","","- Gd Na S2 -","- Gd Na S2 -","- Gd3 Na3 S6 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0208","0.0201","","","0.0472","0.048","","","","","","1.35","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019541","3.8909","0.0004","3.8909","0.0004","19.85","0.003","90","","90","","120","","260.25","0.05","299.9","0.2","299.9","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium lutetium sulfide","","- Lu Na S2 -","- Lu Na S2 -","- Lu3 Na3 S6 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0306","0.0306","","","0.0662","0.0662","","","","","","1.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019542","3.9604","0.0012","3.9604","0.0012","19.867","0.008","90","","90","","120","","269.86","0.16","301.5","0.3","301.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium yttrium sulfide","","- Na S2 Y -","- Na S2 Y -","- Na3 S6 Y3 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0331","0.031","","","0.067","0.0674","","","","","","1.78","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019543","18.233","0.003","10.4511","0.0014","20.898","0.003","90","","93.081","0.002","90","","3976.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)]-μ-2-(2-carboxylatophenyl)aceteto-κ^2^<i>O</i>:<i>O</i>']","","- C21 H21 N3 Ni O5 -","- C21 H21 N3 Ni O5 -","- C168 H168 N24 Ni8 O40 -","8","1","","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids","Acta Crystallographica Section C","2014","70","6","541","546","10.1107/S2053229614008134","","","0.71073","MoKα","","0.0622","0.0502","","","0.1193","0.1252","","","","","","1.434","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019544","9.8485","0.0006","10.7208","0.0006","19.4924","0.0011","85.008","0.001","82.823","0.001","65.293","0.0008","1853.65","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^)bis(aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)) bis{triaquabis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)} benzene-1,2,4,5-tetracarboxylate hexahydrate","","- C68 H84 N12 Ni4 O30 -","- C68 H84 N12 Ni4 O30 -","- C68 H84 N12 Ni4 O30 -","1","0.5","","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids","Acta Crystallographica Section C","2014","70","6","541","546","10.1107/S2053229614008134","","","0.71073","MoKα","","0.0365","0.032","","","0.0836","0.0865","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019545","7.28","0.003","22.171","0.01","24.289","0.011","90","","90","","90","","3920","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","","- C19 H15 Bi N6 O6 -","- C19 H15 Bi N6 O6 -","- C152 H120 Bi8 N48 O48 -","8","1","KU3130","Zhang, Wei; Feng, Yu-Quan","A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","Acta Crystallographica Section C","2014","70","6","562","565","10.1107/S2053229614009863","","","0.71073","MoKα","","0.0468","0.0282","","","0.0595","0.068","","","","","","1.006","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2019546","9.285","0.004","9.818","0.004","13.4","0.006","98.707","0.007","103.08","0.003","109.593","0.004","1086","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(2,6-Dimethylsulfanyl-9<i>H</i>-purin-9-yl)-2-methylidenepropyl]-4,6-bis(methylsulfanyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0507","0.0352","","","0.0914","0.1082","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019547","9.859","0.002","13.979","0.004","29.331","0.008","90","","90","","90","","4042.4","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,7'-(2-Methylidenepropane-1,3-diyl)bis[3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(7<i>H</i>)-one]","","- C20 H22 N6 O2 S2 -","- C20 H22 N6 O2 S2 -","- C160 H176 N48 O16 S16 -","8","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0442","0.041","","","0.0933","0.0953","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019548","9.5436","0.0007","11.5329","0.0008","21.0042","0.0013","90","","107.943","0.003","90","","2199.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-[2-(4,6-Dimethylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)-2-\ methylidenepropyl]-3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]\ pyrimidin-4(7<i>H</i>)-one","","- C19 H21 N7 O S3 -","- C19 H21 N7 O S3 -","- C76 H84 N28 O4 S12 -","4","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71073","MoKα","","0.0424","0.0367","","","0.1014","0.1062","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019549","8.5611","0.0006","8.5611","0.0006","30.227","0.002","90","","90","","90","","2215.4","0.3","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Pentathallium dimercury pentabromide tetraiodide","","- Br5 Hg2 I4 Tl5 -","- Br5 Hg2 I4 Tl5 -","- Br20 Hg8 I16 Tl20 -","4","0.125","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Szyrej, Malgorzata; Levkovets, Sergii; Parasyuk, Oleh","A new semiconducting quaternary mixed halogenide: pentathallium dimercury pentabromide tetraiodide, Tl~5~Hg~2~Br~5~I~4~","Acta Crystallographica Section C","2014","70","6","","","10.1107/S2053229614009966","","","0.71073","MoKα","","0.0289","0.0271","","","0.0629","0.0637","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019550","7.1967","0.0002","15.1383","0.0004","11.9441","0.0003","90","","102.786","0.003","90","","1268.99","0.06","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>S</i>-(2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-glucopyranosyl)-2,3-\ dichlorophenylacetothiohydroxymate","","- C21 H23 Cl2 N O10 S -","- C21 H23 Cl2 N O10 S -","- C42 H46 Cl4 N2 O20 S2 -","2","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","0.7107","MoKα","","0.036","0.0312","","","0.0665","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019551","8.0043","0.0001","15.5208","0.0004","19.4586","0.0004","90","","90","","90","","2417.4","0.09","115","0.1","115","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium 2,3-dichlorophenylglucosinolate‒ethanol‒methanol (1/1/1)","","- C16 H24 Cl2 K N O11 S2 -","- C16 H24 Cl2 K N O11 S2 -","- C64 H96 Cl8 K4 N4 O44 S8 -","4","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","1.5418","CuKα","","0.0573","0.0536","","","0.1413","0.1458","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019552","14.0805","0.0003","7.9682","0.0002","21.189","0.0005","90","","128.989","0.002","90","","1847.82","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-4,4'-(diazenediyl)dianiline","","- C20 H28 N4 -","- C20 H28 N4 -","- C80 H112 N16 -","4","1","SK3541","Gajda, Katarzyna; Zarychta, Bartosz; Daszkiewicz, Zdzisław; Domański, Andrzej A.; Ejsmont, Krzysztof","Substituent effects in <i>trans</i>-<i>p</i>,<i>p</i>'-disubstituted azobenzenes: X-ray structures at 100K and DFT-calculated structures","Acta Crystallographica Section C","2014","70","6","575","579","10.1107/S2053229614009942","","","0.71073","MoKα","","0.0612","0.0435","","","0.1192","0.1257","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019553","14.7061","0.0011","4.5005","0.0004","11.5889","0.0008","90","","95.033","0.006","90","","764.05","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4,4'-(diazenediyl)dibenzoate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","SK3541","Gajda, Katarzyna; Zarychta, Bartosz; Daszkiewicz, Zdzisław; Domański, Andrzej A.; Ejsmont, Krzysztof","Substituent effects in <i>trans</i>-<i>p</i>,<i>p</i>'-disubstituted azobenzenes: X-ray structures at 100K and DFT-calculated structures","Acta Crystallographica Section C","2014","70","6","575","579","10.1107/S2053229614009942","","","0.71073","MoKα","","0.071","0.0415","","","0.1025","0.1166","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019554","8.486","0.003","9.078","0.003","19.875","0.007","100.629","0.005","91.549","0.005","113.674","0.005","1369.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Caesium bis{[2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-ylidene](methylamino)methanethiolato-κ^2^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>}ferrate(III) methanol monosolvate","","- C23 H30 Cs Fe N6 O5 S2 -","- C23 H30 Cs Fe N6 O5 S2 -","- C46 H60 Cs2 Fe2 N12 O10 S4 -","2","1","SF3227","Powell, Robyn E.; Schwalbe, Carl H.; Tizzard, Graham J.; van Koningsbruggen, Petra J.","Fe^III^ in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2‒)-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>]ferrate(III) methanol monosolvate","Acta Crystallographica Section C","2014","70","6","595","598","10.1107/S2053229614008158","","","0.71075","MoKα","","0.0761","0.0522","","","0.1135","0.1216","","","","","","0.915","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019555","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.02","0.02","","","","0.027","","","","","","2.946","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019556","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.0214","0.0214","","","","0.0272","","","","","","2.9073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019557","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.0194","0.0194","","","","0.0242","","","","","","2.6353","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019558","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.045","0.045","","","","0.069","","","","","","7.403","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019559","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.032","0.032","","","","0.047","","","","","","5.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019560","10.82","0.006","10.69","0.006","22.803","0.012","90","","94.628","0.01","90","","2629","2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)]","","- C42 H30 N6 O34 S Sr7 -","- C42 H30 N6 O34 S Sr7 -","- C84 H60 N12 O68 S2 Sr14 -","2","0.5","WQ3061","Zhang, Wei; Qi, Shu-Guang; Feng, Yu-Quan","A novel alkaline earth strontium(II) coordination polymer: poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)]","Acta Crystallographica Section C","2014","70","6","584","587","10.1107/S205322961401002X","","","0.71073","MoKα","","0.0904","0.0492","","","0.0911","0.0986","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019561","19.116","0.004","11.968","0.002","11.139","0.002","90","","107.7","0.03","90","","2427.7","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]","","- C6 H4 Cu N3 -","- C6 H4 Cu N3 -","- C96 H64 Cu16 N48 -","16","2","FN3169","Liu, Jian-Jun; Li, Zuo-Yin; Yuan, Xiong; Wang, Yao; Huang, Chang-Cang","A copper(I) coordination polymer incorporation the corrosion inhibitor 1<i>H</i>-benzotriazole: poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]","Acta Crystallographica Section C","2014","70","6","599","602","10.1107/S2053229614010390","","","0.71073","MoKα","","0.0906","0.0436","","","0.079","0.0918","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019562","6.8582","0.0002","7.6183","0.0003","35.6746","0.0015","90","","92.778","0.003","90","","1861.73","0.12","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium 4-fluorophenoxyacetate","Poly[[μ~5~-(4-fluorophenoxy)acetato][μ~4~-(4-fluorophenoxy)acetato]dicaesium]","","- C8 H6 Cs F O3 -","- C8 H6 Cs F O3 -","- C64 H48 Cs8 F8 O24 -","8","2","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0659","0.0595","","","0.1162","0.1187","","","","","","1.252","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019563","18.1357","0.0007","8.8722","0.0004","7.0958","0.0003","90","","94.158","0.004","90","","1138.73","0.08","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium (3-chloro-2-methylphenoxy)acetate monohydrate","Poly[aqua[μ~5~-(3-chloro-2-methylphenoxy)acetato]caesium]","","- C9 H10 Cl Cs O4 -","- C9 H10 Cl Cs O4 -","- C36 H40 Cl4 Cs4 O16 -","4","1","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0235","0.0203","","","0.046","0.0475","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019564","4.8756","0.0004","7.1876","0.0004","15.3045","0.001","96.223","0.005","94.561","0.006","106.45","0.006","507.92","0.06","200","1","200","1","","","","","","","","5","P -1","-P 1","2","caesium (2,4-dichlorophenoxy)acetate-(2,4-dichlorophenoxy)acetic acid","Poly[[μ~7~-(2,4-dichlorophenoxy)acetato][(2,4-dichlorphenoxy)acetic acid]caesium]","","- C16 H11 Cl4 Cs O6 -","- C16 H11 Cl4 Cs O6 -","- C16 H11 Cl4 Cs O6 -","1","0.5","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0404","0.0375","","","0.0802","0.082","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019565","10.3733","0.0005","9.1936","0.0004","18.4182","0.0008","90","","104.469","0.001","90","","1700.8","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquabis(μ~3~-2-carboxypyridine-2-carboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)tristrontium(II)] dihydrate]","","- C28 H22 N4 O20 Sr3 -","- C28 H22 N4 O20 Sr3 -","- C56 H44 N8 O40 Sr6 -","2","0.5","OV3048","Soleimannejad, Janet; Derikvand, Zohreh; Koleiae, Farzaneh","A new three-dimensional coordination polymer of Sr^II^ based on dipicolinic acid, with different coordination environments for Sr^II^","Acta Crystallographica Section C","2014","70","6","613","616","10.1107/S2053229614009668","","","0.71073","MoKα","","0.0256","0.0227","","","0.056","0.0571","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2019566","15.581","0.007","7.857","0.002","16.809","0.008","90","","113.2","0.03","90","","1891.4","1.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(3<i>H</i>-imidazol-1-ium) [[tetracyanido-κ^4^<i>C</i>-cobalt(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[diaqualithium(I)]-κ^2^<i>N</i>:<i>C</i>]","","- C12 H14 Co Li N10 O2 -","- C12 H14 Co Li N10 O2 -","- C48 H56 Co4 Li4 N40 O8 -","4","0.5","WQ3062","Shao, Xiu-Dan; Yu, Chun-Hua","An organic‒inorganic hybrid compound containing imidazolium cations and a one-dimensional lithium hexacyanidocobaltate-based anionic framework","Acta Crystallographica Section C","2014","70","6","","","10.1107/S2053229614011541","","","0.71073","MoKα","","0.0349","0.0292","","","0.0699","0.0727","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019567","29.768","0.004","15.6022","0.0012","11.8465","0.0015","90","","93.247","0.011","90","","5493.2","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Octyl 1-(5-(<i>tert</i>-butyl)-1<i>H</i>-pyrazol-3-yl)-2- (4-chlorophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C29 H35 Cl N4 O2 -","- C29 H35 Cl N4 O2 -","- C232 H280 Cl8 N32 O16 -","8","1","FG3321","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Octyl 1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate: complex sheets built from N—H···N, C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2014","70","6","617","621","10.1107/S2053229614011760","","","0.71073","MoKα","","0.1058","0.0529","","","0.0963","0.1157","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019568","8.1979","0.0006","14.0424","0.0016","14.1697","0.001","70.779","0.008","80.031","0.006","79.353","0.008","1502.6","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[tris(1,2-benzoisothiazol-3-thionato-1,1-dioxide- κ<i>N</i>,κ<i>S</i>)(ethanol)bismuth(III)] ethanol hemisolvate","","- C47 H39 Bi2 N6 O14.5 S12 -","- C47 H39 Bi2 N6 O14.5 S12 -","- C47 H39 Bi2 N6 O14.5 S12 -","1","0.5","SK3545","Dennehy, Mariana; Ferullo, Ricardo M.; Freire, Eleonora; Baggio, Ricardo","An ethanol-solvated centrosymmetric dimer of bismuth(III) and thiosaccharinate resulting from `semicoordination' contacts","Acta Crystallographica Section C","2014","70","6","627","631","10.1107/S2053229614010869","","","0.71073","MoKα","","0.0951","0.0679","","","0.1741","0.1888","","","","","","1.229","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019569","4.0596","0.0003","4.0596","0.0003","8.4011","0.0017","90","","90","","120","","119.9","0.03","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","","Dicerium di(lithium/nickel) disilicide","","- Ce2 Li0.39 Ni1.61 Si2 -","- Ce2 Li0.394 Ni1.606 Si2 -","- Ce2 Li0.394 Ni1.606 Si2 -","1","0.0833333","","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","The Ce~2~Li~0.39~Ni~1.61~Si~2~ structure as a new derivative of the AlB~2~ family","Acta Crystallographica Section C","2014","70","6","622","626","10.1107/S2053229614011589","","","0.71073","MoKα","","0.031","0.0254","","","0.0933","0.0989","","","","","","1.302","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019570","10.9149","0.0004","10.9149","0.0004","15.4297","0.0006","90","","90","","120","","1591.94","0.1","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)potassium(I) iodide","","- C12 H30 I K N6 O6 -","- C12 H30 I K N6 O6 -","- C36 H90 I3 K3 N18 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.011","0.011","","","0.0304","0.0304","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019571","7.1327","0.0018","9.309","0.002","9.378","0.002","68.739","0.008","76.082","0.01","77.494","0.008","557.5","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","(1,3-Diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)lithium(I) diiodide dihydrate","","- C12 H35 I2 Li N6 O8 -","- C12 H35 I2 Li N6 O8 -","- C12 H35 I2 Li N6 O8 -","1","0.5","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.0159","0.0158","","","0.042","0.0421","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019572","10.9637","0.0006","10.9637","0.0006","14.3641","0.0008","90","","90","","120","","1495.28","0.14","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)sodium(I) iodide","","- C12 H30 I N6 Na O6 -","- C12 H30 I N6 Na O6 -","- C36 H90 I3 N18 Na3 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.0117","0.0117","","","0.034","0.034","","","","","","1.218","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019573","9.3618","0.0005","30.6516","0.0014","12.5952","0.0008","90","","90.683","0.005","90","","3614","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide)","","- C44 H24 Fe N12 -","- C44 H24 Fe N12 -","- C176 H96 Fe4 N48 -","4","1","EM3067","Potočňák, Ivan; Váhovská, Lucia; Herich, Peter","Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","Acta Crystallographica Section C","2014","70","5","432","436","10.1107/S2053229614006512","","","0.71069","MoKα","","0.0477","0.0308","","","0.0628","0.0654","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019574","15.4137","0.0006","15.4137","0.0006","27.2718","0.0014","90","","90","","120","","5611.2","0.4","193","2","193","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","","- C38 H27 Fe N12 O1.5 -","- C38 H27 Fe N12 O1.5 -","- C228 H162 Fe6 N72 O9 -","6","0.333333","EM3067","Potočňák, Ivan; Váhovská, Lucia; Herich, Peter","Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","Acta Crystallographica Section C","2014","70","5","432","436","10.1107/S2053229614006512","","","0.71069","MoKα","","0.0293","0.0266","","","0.0606","0.0613","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019575","12.6969","0.0005","19.4915","0.0006","13.2609","0.0004","90","","113.777","0.004","90","","3003.3","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis-μ-methanol-κ^4^<i>O</i>:<i>O</i>-bis{[hydrotris(3-phenyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato-κ^3^<i>H</i>,<i>S</i>,<i>S</i>'](methanol-κ<i>O</i>)sodium(I)}","","- C58 H60 B2 N12 Na2 O4 S6 -","- C58 H60 B2 N12 Na2 O4 S6 -","- C116 H120 B4 N24 Na4 O8 S12 -","2","0.5","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.052","0.0363","","","0.0757","0.0813","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019576","53.903","0.002","14.4391","0.0004","22.9832","0.0004","90","","96.256","0.003","90","","17781.5","0.9","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis-μ-methanol-κ^4^<i>O</i>:<i>O</i>-bis{[hydrotris(3-isopropyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato-κ^3^<i>H</i>,<i>S</i>,<i>S</i>'](methanol-κ<i>O</i>)sodium(I)}‒diethyl ether‒methanol (1/0.3333/0.0833)","","- C41.3333 H75.3333 B2 N12 Na2 O4.42 S6 -","- C41.42 H75.68 B2 N12 Na2 O4.41667 S6 -","- C497.04 H908.16 B24 N144 Na24 O53 S72 -","12","1.5","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.087","0.0621","","","0.1586","0.1762","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019577","7.9707","0.0003","10.0754","0.0004","11.4672","0.0005","79.923","0.004","82.774","0.004","71.167","0.004","855.78","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-hydrotris(3-methyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato]sodium(I)]","","- C12 H16 B N6 Na S3 -","- C12 H16 B N6 Na S3 -","- C24 H32 B2 N12 Na2 S6 -","2","1","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.0762","0.0485","","","0.1025","0.1131","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019578","12.3557","0.001","11.3518","0.0009","13.6847","0.0011","90","","107.283","0.001","90","","1832.7","0.3","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang","A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section C","2014","70","7","654","658","10.1107/S2053229614012066","","","0.71073","MoKα","","0.035","0.0307","","","0.0812","0.0852","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019579","13.1298","0.0006","4.6502","0.0001","16.957","0.002","90","","90.977","0.009","90","","1035.18","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C18 H16 Br2 Cl2 Cu N2 O4 -","- C18 H16 Br2 Cl2 Cu N2 O4 -","- C36 H32 Br4 Cl4 Cu2 N4 O8 -","2","0.5","FM3019","Zabierowski, Piotr; Szklarzewicz, Janusz; Nitek, Wojciech","Disentangling steric and electronic factors in monomeric bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","2014","70","7","659","661","10.1107/S2053229614012273","","","1.5418","CuKα","","0.0329","0.0285","","","","0.0764","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019580","10.5588","0.001","11.7643","0.0011","17.2263","0.0016","90","","99.929","0.002","90","","2107.7","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate","","- C14 H31 F6 N4 Ni O2 P -","- C14 H31 F6 N4 Ni O2 P -","- C56 H124 F24 N16 Ni4 O8 P4 -","4","1","SF3230","Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.","Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands","Acta Crystallographica Section C","2014","70","7","640","643","10.1107/S2053229614011620","","","0.71073","MoKα","","0.0507","0.0414","","","0.0851","0.0911","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019581","8.0392","0.001","8.6289","0.001","15.8882","0.0019","78.883","0.002","89.641","0.002","77.826","0.002","1056.5","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acetamidato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate","","- C14 H32 F6 N5 Ni O P -","- C14 H32 F6 N5 Ni O P -","- C28 H64 F12 N10 Ni2 O2 P2 -","2","1","SF3230","Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.","Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands","Acta Crystallographica Section C","2014","70","7","640","643","10.1107/S2053229614011620","","","0.71073","MoKα","","0.0617","0.0404","","","0.0813","0.0899","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019582","20.508","0.004","10.899","0.002","8.2818","0.0017","90","","109.9","0.03","90","","1740.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]","","- C16 H16 N2 O6 Pb -","- C16 H16 N2 O6 Pb -","- C64 H64 N8 O24 Pb4 -","4","0.5","YP3071","Liu, Lei-Lei; Yu, Cai-Xia; Hua, Lei; Lin, Lu","A three-dimensional Pb^II^ coordination framework: poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]","Acta Crystallographica Section C","2014","70","7","650","653","10.1107/S2053229614012534","","","0.71073","MoKα","","0.0318","0.0277","","","0.0638","0.0665","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019583","10.1176","0.0006","20.6058","0.001","16.058","0.0009","90","","95.234","0.005","90","","3333.8","0.3","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrachlorido-1κ<i>Cl</i>;2κ^3^<i>Cl</i>-(2,2,7,7,12,12,17,17-octamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosane-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')-μ~2~-oxido-diiron(III)","","- C28 H52 Cl4 Fe2 N4 O -","- C28 H52 Cl4 Fe2 N4 O -","- C112 H208 Cl16 Fe8 N16 O4 -","4","1","BG3174","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex","Acta Crystallographica Section C","2014","70","7","644","649","10.1107/S2053229614012157","","","0.71073","MoKα","","0.0912","0.0523","","","0.0861","0.0951","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019584","10.1319","0.0009","20.4267","0.0018","15.9591","0.0016","88.488","0.008","96.881","0.008","92.679","0.007","3274.8","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","Tetrachlorido-1κ<i>Cl</i>;2κ^3^<i>Cl</i>-(7,7,12,12,17,17-octamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosane-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')-μ~2~-oxido-diiron(III)","","- C28 H52 Cl4 Fe2 N4 O -","- C28 H52 Cl4 Fe2 N4 O -","- C112 H208 Cl16 Fe8 N16 O4 -","4","2","BG3174","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex","Acta Crystallographica Section C","2014","70","7","644","649","10.1107/S2053229614012157","","","0.71073","MoKα","","0.1812","0.0945","","","0.2113","0.2428","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019585","17.771","0.003","19.703","0.003","14.21","0.003","90","","114.097","0.006","90","","4541.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate","","- C44 H52 N8 O16 -","- C44 H52 N8 O16 -","- C176 H208 N32 O64 -","4","0.5","YF3064","Zhang, Zhi-Hui; Wang, Jin-Long; Gao, Ning; He, Ming-Yang","A 16-connected three-dimensional hydrogen-bonding network in tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate","Acta Crystallographica Section C","2014","70","7","668","671","10.1107/S2053229614012947","","","0.71073","MoKα","","0.1445","0.0613","","","0.1143","0.1373","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019586","13.9098","0.0017","10.1293","0.0008","19.485","0.002","90","","100.966","0.01","90","","2695.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(biphenyl-2-yl) borate","","- C36 H27 B O3 -","- C36 H27 B O3 -","- C144 H108 B4 O12 -","4","1","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.1328","0.0669","","","0.1179","0.1365","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019587","14.7548","0.0011","5.1497","0.0003","24.58","0.002","90","","90","","90","","1867.7","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","10-oxa-9-boraphenanthren-9-ol","","- C12 H9 B O2 -","- C12 H9 B O2 -","- C96 H72 B8 O16 -","8","2","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0592","0.0422","","","0.0933","0.1003","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019588","25.627","0.003","5.1594","0.0004","14.7701","0.0012","90","","106.459","0.007","90","","1872.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-oxa-9-boraphenanthren-9-ol","","- C12 H9 B O2 -","- C12 H9 B O2 -","- C96 H72 B8 O16 -","8","2","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.1038","0.0906","","","0.2152","0.2304","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019589","20.7814","0.001","10.374","0.0004","32.6452","0.0019","90","","93.427","0.004","90","","7025.3","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","9-[(Biphenyl-2-yl)oxy]-10-oxa-9-boraphenanthrene","","- C24 H17 B O2 -","- C24 H17 B O2 -","- C384 H272 B16 O32 -","16","4","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0782","0.0548","","","0.1309","0.1422","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019590","4.79","0.0008","7.7306","0.0012","24.562","0.004","90","","90","","90","","909.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]","","- C9 H4 O6 Pb -","- C9 H4 O6 Pb -","- C36 H16 O24 Pb4 -","4","1","YP3068","Cheng, Shao-Min; Wang, Xian-Fei; Yang, Fang; Chen, Hang; Liu, Wen-Long","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]: a helical lead(II) coordination polymer","Acta Crystallographica Section C","2014","70","7","693","696","10.1107/S2053229614013667","","","0.71073","MoKα","","0.0354","0.0296","","","0.0526","0.0548","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019591","3.7492","0.0006","10.2864","0.0019","17.238","0.003","90","","90","","90","","664.8","0.2","199","2","199","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-nitro-o-phenylenediamine","4-Nitrobenzene-1,2-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0374","0.0301","","","0.0684","0.0721","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019592","4.4743","0.0011","29.757","0.007","6.1706","0.0015","90","","97.774","0.008","90","","814","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-nitro-o-phenylenediamine hydrochloride","2-Amino-5-nitroanilinium chloride","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","2","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0733","0.0493","","","0.0945","0.1016","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019593","14.352","0.002","20.086","0.003","6.4851","0.0009","90","","90","","90","","1869.5","0.5","200","2","200","2","","","","","","","","5","I b a 2","I 2 -2c","45","4-nitro-o-phenylene diamine hydrobromide monohydrate","2-Amino-4-nitroanilinium bromide monohydrate","","- C6 H10 Br N3 O3 -","- C6 H10 Br N3 O3 -","- C48 H80 Br8 N24 O24 -","8","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0416","0.0303","","","0.0671","0.0709","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019594","7.9521","0.0009","32.17","0.003","8.5382","0.001","90","","108.24","0.016","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C104 H80 Cl4 N4 O12 -","4","1","YF3063","Montoya, Alba; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one: a ladder-like structure resulting solely from π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","677","680","10.1107/S2053229614013588","","","0.71073","MoKα","","0.127","0.0546","","","0.1206","0.1548","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019595","9.7082","0.0002","8.9123","0.0003","8.482","0.0002","90","","90","","90","","733.88","0.03","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C16 H32 Cl4 N4 O16 -","4","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.0464","0.0368","","","0.0831","0.0903","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019596","5.5888","0.0005","5.6045","0.0006","6.1697","0.0007","114.57","0.01","97.752","0.009","95.72","0.008","171.52","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","1","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.022","0.0216","","","0.0537","0.0543","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019597","8.8825","0.0003","10.561","0.0004","12.2541","0.0005","71.724","0.003","80.582","0.004","84.974","0.003","1076.03","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1,3,3-tetracyano-2-ethoxypropenido-κ<i>N</i>)copper(II)]-μ~4~-hexane-1,6-dioato-κ^6^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6^]","","- C44 H34 Cu2 N12 O6 -","- C44 H34 Cu2 N12 O6 -","- C44 H34 Cu2 N12 O6 -","1","0.5","YF3065","Setifi, Zouaoui; Boutebdja, Mehdi; Setifi, Fatima; Merazig, Hocine; Glidewell, Christopher","Coordination polymer chains built from Cu^II^ and adipate ions linked by hydrogen bonds to form a three-dimensional framework structure","Acta Crystallographica Section C","2014","70","7","702","706","10.1107/S205322961401359X","","","0.71073","MoKα","","0.0455","0.0322","","","0.0753","0.078","","","","","","0.961","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019598","17.1629","0.0006","16.5904","0.0006","16.1754","0.0006","90","","112.75","0.001","90","","4247.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]","","- C19 H24 Cd N2 O5 S -","- C19 H22 Cd N2 O5 S -","- C152 H176 Cd8 N16 O40 S8 -","8","1","QS3036","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","A three-dimensional cadmium(II) coordination polymer: poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]","Acta Crystallographica Section C","2014","70","7","712","714","10.1107/S2053229614013011","","","0.71073","MoKα","","0.0391","0.034","","","0.1045","0.1093","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019599","6.3512","0.0012","10.405","0.002","12.464","0.002","95.548","0.003","99.348","0.003","100.2","0.003","793.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide","","- C43 H28 N4 O3 -","- C42.9998 H28 N3.9998 O2.9996 -","- C42.9998 H28 N3.9998 O2.9996 -","1","0.5","GZ3266","Zeller, Matthias; Banerjee, Subhadeep; Brückner, Christian","Oxazolochlorins. 14. 8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide","Acta Crystallographica Section C","2014","70","7","707","711","10.1107/S2053229614013953","","","0.71073","MoKα","","0.0817","0.0584","","","0.1325","0.1441","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019600","11.2923","0.0008","29.204","0.003","15.8321","0.0016","90","","90","","90","","5221.1","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hexa-<i>tert</i>-butyldisilane","","- C24 H54 Si2 -","- C24 H54 Si2 -","- C192 H432 Si16 -","8","1","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.0921","0.0483","","","0.102","0.1157","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019601","9.024","0.0011","17.566","0.002","18.961","0.003","116.476","0.006","95.018","0.007","90.263","0.01","2676.9","0.6","157","2","157","2","","","","","","","","3","P -1","-P 1","2","","1,1,2,2-Tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","","- C28 H46 Si2 -","- C28 H46 Si2 -","- C112 H184 Si8 -","4","2","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.1053","0.0498","","","0.1007","0.1157","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019602","11.1541","0.0009","11.671","0.0009","12.2073","0.001","93.545","0.001","106.904","0.001","106.283","0.001","1441.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-phthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^){μ~3~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]acetato-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>O</i>:<i>O</i>'}{μ~2~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]acetato-κ^3^<i>N</i>^2^,<i>N</i>^3^:<i>O</i>}dizinc(II)] dihydrate]","","- C28 H26 N6 O11 Zn2 -","- C28 H26 N6 O11 Zn2 -","- C56 H52 N12 O22 Zn4 -","2","1","","Cai, Hua; Xiao, Yan-Ling; Guo, Ying; Li, Jian-Gang","Controllable assembly of a three-dimensional metal‒organic supramolecular framework displaying hydrogen-bonding and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","722","725","10.1107/S2053229614014247","","","0.71073","MoKα","","0.0554","0.0367","","","0.0755","0.0833","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019603","8.5761","0.0005","8.9118","0.0006","16.4088","0.0009","96.192","0.005","91.571","0.005","112.971","0.006","1144.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II)","","- C24 H20 Cl2 Mn N6 -","- C24 H20 Cl2 Mn N6 -","- C48 H40 Cl4 Mn2 N12 -","2","1","DT3025","Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua","[2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C—H···Cl hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","718","721","10.1107/S2053229614014107","","","0.71073","MoKα","","0.0532","0.0379","","","0.0852","0.0942","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019604","7.519","0.0002","13.2464","0.0003","11.5073","0.0004","90","","104.388","0.001","90","","1110.18","0.05","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[pentaaquauranium(IV)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]","","- H12 O14 S2 U -","- H12 O14 S2 U -","- H48 O56 S8 U4 -","4","0.5","FA3344","Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David","The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures","Acta Crystallographica Section C","2014","70","7","726","731","10.1107/S2053229614013801","","","0.71073","MoKα","","0.0108","0.0108","","","0.0284","0.0284","","","","","","1.313","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019605","8.4071","0.0003","11.7144","0.0004","13.2659","0.0004","90","","92.51","0.001","90","","1305.23","0.08","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexaaquabis(sulfato-κ^2^<i>O</i>,<i>O</i>')uranium(IV) dihydrate","","- H16 O16 S2 U -","- H16 O16 S2 U -","- H64 O64 S8 U4 -","4","1","FA3344","Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David","The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures","Acta Crystallographica Section C","2014","70","7","726","731","10.1107/S2053229614013801","","","0.71073","MoKα","","0.0268","0.0173","","","0.0324","0.0349","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019606","4.608","0.004","26.4","0.02","6.123","0.005","90","","109.044","0.008","90","","704.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-thiophene-3,4-dicarboxylato)manganese(II)]","","- C6 H2 Mn O4 S -","- C6 H2 Mn O4 S -","- C24 H8 Mn4 O16 S4 -","4","0.5","FA3345","Wang, Gui-Xia; Shang, Li-Li; Li, Zhao-Hao; Zhao, Bang-Tun","A new two-dimensional manganese(II) coordination polymer based on thiophene-3,4-dicarboxylic acid","Acta Crystallographica Section C","2014","70","7","715","717","10.1107/S205322961401417X","","","0.71073","MoKα","","0.0255","0.0246","","","0.0668","0.0674","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019607","11.4287","0.0018","12.068","0.002","7.5427","0.0013","90","","90","","90","","1040.3","0.3","200","2","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","ammonium <i>p</i>-arsanilate monohydrate","Ammonium 4-aminophenylarsonate monohydrate","","- C6 H13 As N2 O4 -","- C6 H13 As N2 O4 -","- C24 H52 As4 N8 O16 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0307","0.0274","","","0.0646","0.0672","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019608","10.4069","0.0013","13.641","0.0017","7.7494","0.0009","90","","90","","90","","1100.1","0.2","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","sodium <i>p</i>-arsanilate trihydrate","<i>catena</i>-poly[[(4-aminophenylarsonato-κ<i>O</i>)diaquasodium]-μ-aqua]","","- C6 H13 As N Na O6 -","- C6 H13 As N Na O6 -","- C24 H52 As4 N4 Na4 O24 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0355","0.0325","","","0.0704","0.0726","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019609","5.554","0.002","5.639","0.002","7.973","0.003","90","","105.98","0.05","90","","240.06","0.16","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zirconium tetrafluoride","","- F4 Zr -","- F4 Zr -","- F16 Zr4 -","4","1","","Laval, Jean-Paul","Crystal chemistry of anion-excess ReO~3~-related phases. III. γ-ZrF~4~, a high-pressure form of zirconium tetrafluoride, and a comparison of <i>MX</i>~4~ structure types","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014338","","","0.7107","MoKα","","0.027","0.0261","","","0.0705","0.0708","","","","","","1.289","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019610","9.4905","0.0008","9.4969","0.0008","11.4851","0.001","90","","100.306","0.002","90","","1018.45","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7018","Bis[(1,2,3,3a,10a,10b-η)-pyrene]vanadium(0)","","- C32 H20 V -","- C32 H20 V -","- C64 H40 V2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0578","0.038","","","0.0912","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019611","8.5838","0.0012","9.5974","0.0013","12.8876","0.0018","90","","105.554","0.002","90","","1022.8","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7057","Bis[(1,2,3,3a,10a,10b-η)-pyrene]niobium(0)","","- C32 H20 Nb -","- C32 H20 Nb -","- C64 H40 Nb2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0585","0.0335","","","0.0726","0.085","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019612","10.3934","0.0013","15.682","0.002","11.3559","0.0014","90","","111.084","0.002","90","","1727","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7226","<i>catena</i>-Poly[[(18-crown-6)potassium]-μ-[(1,2-η:1,2,3,3a,10a,10b-η)-pyrene]-titanate(I)-μ-[(1,2,3,3a,10a,10b-η:6,7-η)-pyrene]]","","- C44 H44 K O6 Ti -","- C44 H44 K O6 Ti -","- C88 H88 K2 O12 Ti2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0663","0.0409","","","0.0989","0.1147","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019613","10.6904","0.0004","13.9661","0.0006","15.2652","0.0006","69.182","0.002","72.346","0.002","80.313","0.002","2025.33","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato){μ~4~-<i>N</i>^1^,<i>N</i>^3^,<i>N</i>^5^-tris[(pyridin-3-yl)methyl]benzene-1,3,5-tricarboxamide}dizinc(II)] 0.22-hydrate]","","- C43 H34 N6 O12 Zn2 -","- C43 H32 N6 O12 Zn2 -","- C86 H64 N12 O24 Zn4 -","2","1","BG3173","Li, Jian-Qiang; Wu, Xiao-Liu; Liu, Shu-Juan; Luo, Ming-Biao","An acylamide metal‒organic framework with an unprecedented four-connecting trinodal topology and amide oxygen coordination","Acta Crystallographica Section C Structural Chemistry","2014","70","8","","","10.1107/S205322961401451X","","","0.71073","MoKα","","0.0476","0.0344","","","0.0891","0.0964","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019614","8.1153","0.0002","9.0404","0.0002","10.0759","0.0002","83.16","0.001","81.994","0.001","77.423","0.001","711.43","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[di-μ~3~-acetato-κ^6^<i>O</i>:<i>O</i>:<i>O</i>'-tetra-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-diaquabis(pyridine-κ<i>N</i>)trimanganese(II)]","","- C22 H32 Mn3 N2 O14 -","- C22 H32 Mn3 N2 O14 -","- C22 H32 Mn3 N2 O14 -","1","0.5","YP3067","Caballero-Jiménez, Judith; Reyes Ortega, Yasmi; Bernès, Sylvain; Escudero, Roberto","A candidate for a single-chain magnet: [Mn~3~(OAc)~6~(py)~2~(H~2~O)~2~]~<i>n~</i> (OAc is acetate and py is pyridine)","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015137","","","0.71073","MoKα","","0.0218","0.0196","","","0.0551","0.0565","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019615","3.74","0.008","17.42","0.04","22.18","0.05","90","","90","","90","","1445","6","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzenecarboxamide","","- C14 H12 Cl2 N2 O5 -","- C14 H12 Cl2 N2 O5 -","- C56 H48 Cl8 N8 O20 -","4","1","FA3349","Harriss, Bethany I.; Wilson, Claire; Radosavljevic Evans, Ivana","Niclosamide methanol solvate and niclosamide hydrate: structure, solvent inclusion mode and implications for properties","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015496","","","0.6889","","","0.118","0.0952","","0.1071","0.1029","0.1029","","","","","","1.1948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019616","7.7509","0.0004","10.8253","0.0001","12.5824","0.0011","77.543","0.016","81.089","0.018","72.256","0.016","977.32","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-3-yl)-1,2,4-triazole-κ<i>N</i>^3^]bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)","","- C30 H28 N18 O2 S6 Zn -","- C30 H28 N18 O2 S6 Zn -","- C30 H28 N18 O2 S6 Zn -","1","0.5","WQ3063","He, Xiao-Xiao; Guo, Ya-Mei","Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014260","","","0.71073","MoKα","","0.042","0.0351","","","0.0857","0.09","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019617","13.3778","0.001","11.3937","0.0009","19.2967","0.0014","90","","96.044","0.001","90","","2924.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate]","","- C26 H20 N10 S6 Zn -","- C26 H20 N10 S6 Zn -","- C104 H80 N40 S24 Zn4 -","4","0.5","WQ3063","He, Xiao-Xiao; Guo, Ya-Mei","Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014260","","","0.71073","MoKα","","0.0463","0.0392","","","0.0987","0.1026","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019618","4.5261","0.0007","7.1356","0.0011","7.8147","0.0011","90","","90","","90","","252.39","0.07","273","2","273","2","","","","","","","","3","I m m 2","I 2 -2","44","","Calcium gold stannide","","- Au Ca Sn -","- Au Ca Sn -","- Au4 Ca4 Sn4 -","4","0.5","FN3175","Lin, Qisheng; Corbett, John D.","The low-temperature form of calcium gold stannide, CaAuSn","Acta Crystallographica Section C","2014","70","8","","","10.1107/S205322961401612X","","","0.71073","MoKα","","0.028","0.0276","","","0.0719","0.072","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019619","8.53937","0.00013","15.0206","0.0002","21.396","0.0003","90","","90","","90","","2744.39","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C88 H104 N24 O16 S16 -","8","1","FA3347","Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco","Distinguishing tautomerism in the crystal structure of (<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and ^13^C solid-state NMR","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015356","powder diffraction","","1.54056","CuKα~1~","","0.033","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019620","10.3834","0.0004","6.807","0.0003","25.4684","0.001","90","","96.25","","90","","1789.4","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaqua(μ~2~-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)di-μ~4~-sulfato-μ~3~-sulfato-dicadmium(II)]","","- C13 H12 Cd2 N4 O10 S2 -","- C13 H12 Cd2 N4 O10 S2 -","- C52 H48 Cd8 N16 O40 S8 -","4","1","EM3069","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","The two-dimensional coordination polymer poly[diaqua(μ~2~-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)-μ~4~-sulfato-μ~3~-sulfato-dicadmium(II)]","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015514","","","0.71073","MoKα","","0.0251","0.0219","","","0.0513","0.053","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019621","13.6666","0.0006","9.6505","0.0005","15.1672","0.0007","90","","95.079","0.005","90","","1992.54","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyr-Gpn-NH-NH-Pyr","<i>N</i>-[(1-{2-Oxo-2-[2-(pyrazin-2-ylcarbonyl)hydrazin-1-\ yl]ethyl}cyclohexyl)methyl]pyrazine-2-carboxamide monohydrate","","- C19 H25 N7 O4 -","- C19 H25 N7 O4 -","- C76 H100 N28 O16 -","4","1","","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak interactions","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015587","","","0.71073","MoKα","","0.1065","0.0491","","","0.0774","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019622","13.798","0.0009","20.8958","0.0016","19.2954","0.0015","90","","90","","90","","5563.3","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","","- C30.5 H25 Cl3 Co N4 -","- C30.5 H25 Cl3 Co N4 -","- C244 H200 Cl24 Co8 N32 -","8","1","YP3074","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015411","","","0.71073","MoKα","","0.0292","0.0244","","","0.0586","0.0609","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019623","16.9663","0.0013","10.8788","0.0008","4.9606","0.0004","90","","90","","90","","915.59","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[aqua(μ~4~-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium)zinc(II)]","","- C8 H7 N O6 Zn -","- C8 H7 N O6 Zn -","- C32 H28 N4 O24 Zn4 -","4","1","FM3020","Ma, De-Yun; Zheng, Jing; Cao, Jie-Qiong; Lin, Xu-Min; Ling, You-Biao","A three-dimensional zinc-based coordination polymer built from 5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium with a 4-connected <b>sra</b> topology","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016829","","","0.71073","MoKα","","0.0331","0.0287","","","0.0609","0.0641","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019624","12.5508","0.0006","10.1916","0.0005","24.7009","0.001","90","","93.962","0.004","90","","3152","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane; tetrahydrofuran disolvate","","- C72 H74 B2 O2 P4 -","- C72 H74 B2 O2 P4 -","- C144 H148 B4 O4 P8 -","2","0.5","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.0702","0.0498","","","0.1136","0.1223","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019625","12.3097","0.0006","13.3629","0.0004","18.4243","0.0009","90","","93.72","0.004","90","","3024.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane tetrahydrofuran disolvate","","- C72 H74 B2 O2 P4 -","- C72 H74 B2 O2 P4 -","- C144 H148 B4 O4 P8 -","2","0.5","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.0414","0.0356","","","0.0895","0.0929","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019626","22.8933","0.0018","13.4283","0.0006","20.2287","0.0013","90","","109.813","0.005","90","","5850.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane toluene monosolvate","","- C71 H66 B2 P4 -","- C71 H66 B2 P4 -","- C284 H264 B8 P16 -","4","1","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.1375","0.0662","","","0.1087","0.1281","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019627","5.7891","0.00015","8.8045","0.0002","10.9688","0.0003","90.638","0.002","95.794","0.002","107.99","0.002","528.5","0.02","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Hydroxyethyl)-2-[(pyridin-2-yl)amino]-1,3-thiazolidin-4-one","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C20 H22 N6 O4 S2 -","2","1","WQ3065","Gzella, Andrzej K.; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N.; Lesyk, Roman","Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015162","","","0.71073","MoKα","","0.0389","0.0357","","","0.0857","0.0879","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019628","3.985","0.0002","5.5113","0.0003","26.8877","0.0014","84.483","0.005","89.67","0.005","86.338","0.005","586.59","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-[(4-oxothiazolidin-2-yl)amino]benzoate","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C24 H24 N4 O6 S2 -","2","1","WQ3065","Gzella, Andrzej K.; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N.; Lesyk, Roman","Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015162","","","0.71073","MoKα","","0.0324","0.0298","","","0.0766","0.0784","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019629","18.0371","0.0004","15.4309","0.0003","14.2604","0.0003","90","","90","","90","","3969.08","0.14","100","2","100.02","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0663","0.0424","","","0.0913","0.101","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019630","17.0813","0.0005","15.4877","0.0005","14.2544","0.0005","90","","90","","90","","3771","0.2","100","2","100.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0406","0.0318","","","0.0797","0.084","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019631","14.5012","0.0018","18.299","0.002","15.1952","0.0019","90","","107.526","0.0015","90","","3845","0.8","100","2","100.4","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","2","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0582","0.036","","","0.0738","0.0811","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019632","10.8536","0.0004","10.8103","0.0004","11.3901","0.0004","90","","92.717","0.002","90","","1334.91","0.08","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium nicotinate","4-Bis[(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-3-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","SK3553","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016532","","","0.71073","MoKα","","0.0329","0.0304","","","0.0785","0.0807","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019633","10.0546","0.0005","14.8338","0.0006","26.9437","0.0012","90","","106.497","0.003","90","","3853.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flunarizinediium bis(4-toluenesulfonate) dihydrate","1-[Bis(4-fluorophenyl)methyl]-4-[(2<i>E</i>)-3-phenylprop-2-en-1-\ yl]piperazine-1,4-diium bis(4-methylbenzenesulfonate) dihydrate","","- C40 H46 F2 N2 O8 S2 -","- C40 H46 F2 N2 O8 S2 -","- C160 H184 F8 N8 O32 S8 -","4","1","SK3553","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016532","","","0.71073","MoKα","","0.0844","0.0753","","","0.1952","0.2019","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019634","12.6308","0.0009","3.6509","0.0003","20.0499","0.0015","90","","90","","90","","924.58","0.12","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","","- C6 H4 Ag2 N8 -","- C6 H4 Ag2 N8 -","- C24 H16 Ag8 N32 -","4","1","SK3549","Meng, Gao-Xiang; Feng, Ya-Min; Huang, Xin-Tang","Topological analysis of the three-dimensional coordination polymer poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","Acta Crystallographica Section C","2014","70","8","823","827","10.1107/S2053229614016702","","","0.71073","MoKα","","0.0428","0.0382","","","0.0819","0.0842","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019635","23.049","0.004","17.067","0.003","21.543","0.003","90","","109.779","0.003","90","","7975","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2249","Bis[([2.2.2]cryptand)potassium(I)] tris(2,2'-bipyridine)ferrate(‒I) anthrancene(‒I)","","- C80 H106 Fe K2 N10 O12 -","- C80 H106 Fe K2 N10 O12 -","- C320 H424 Fe4 K8 N40 O48 -","4","0.5","OV3050","Brennessel, William W.; Ellis, John E.","Homoleptic 2,2'-bipyridine metalates(‒I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene","Acta Crystallographica Section C","2014","70","8","828","832","10.1107/S2053229614017070","","","0.71073","MoKα","","0.1135","0.0569","","","0.1039","0.1219","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019636","10.5981","0.0008","14.4323","0.0011","18.4886","0.0015","99.1054","0.0013","90.8279","0.0014","109.243","0.0013","2629.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2225","([2.2.2]Cryptand)potassium(I) bis(2,2'-bipyridine)cobaltate(‒I) anthrancene hemisolvate tetrahydrofuran disolvate","","- C53 H73 Co K N6 O8 -","- C53 H73 Co K N6 O8 -","- C106 H146 Co2 K2 N12 O16 -","2","1","OV3050","Brennessel, William W.; Ellis, John E.","Homoleptic 2,2'-bipyridine metalates(‒I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene","Acta Crystallographica Section C","2014","70","8","828","832","10.1107/S2053229614017070","","","0.71073","MoKα","","0.0433","0.031","","","0.0739","0.0786","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019637","5.3473","0.0011","13.073","0.002","8.408","0.005","90","","103.88","0.03","90","","570.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-6-Oxo-1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C22 H26 N2 O6 S2 -","2","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0271","0.0244","","","0.0575","0.0588","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019638","7.956","0.0004","10.371","0.0005","13.8612","0.0006","90","","90","","90","","1143.71","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6-Oxo-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0337","0.0292","","","0.0735","0.077","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019639","9.9611","0.0013","8.863","0.0011","5.5598","0.0007","90","","106.382","0.0013","90","","470.92","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium manganese vanadate germanate","","- Ge1.9 Mn Na O6 V0.1 -","- Ge1.9 Mn Na O6 V0.1 -","- Ge7.6 Mn4 Na4 O24 V0.4 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0228","0.0213","","","","0.0581","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019640","10.1705","0.0007","9.1545","0.0007","5.5715","0.0004","90","","107.305","0.0007","90","","495.26","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium scandium germanate","","- Ge2 Na O6 Sc -","- Ge2 Na O6 Sc -","- Ge8 Na4 O24 Sc4 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0146","0.0143","","","","0.0372","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019641","10.2215","0.0007","9.1814","0.0006","5.5931","0.0004","90","","107.133","0.0007","90","","501.61","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium indium germanate","","- Ge2 In Na O6 -","- Ge2 In Na O6 -","- Ge8 In4 Na4 O24 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0122","0.0119","","","","0.0333","","","","","","1.2","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019642","9.9279","0.0009","8.855","0.0008","5.468","0.0006","90","","107.542","0.0011","90","","458.35","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium gallium germanate","","- Ga Ge2 Na O6 -","- Ga Ge2 Na O6 -","- Ga4 Ge8 Na4 O24 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0444","0.0285","","","","0.0561","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019643","9.3905","0.0002","19.108","0.0003","28.0829","0.0005","90","","90","","90","","5039.02","0.16","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C240 H368 O16 -","8","2","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.0417","0.038","","","0.0958","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019644","10.3987","0.0002","13.8559","0.0003","17.1632","0.0002","90","","90","","90","","2472.93","0.08","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.038","0.0358","","","0.0919","0.0938","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019645","31.729","0.002","10.4118","0.0007","10.1697","0.0006","90","","97.7","0.007","90","","3329.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole","","- C21 H14 F2 N2 -","- C21 H14 F2 N2 -","- C168 H112 F16 N16 -","8","1","SK3555","Samshuddin, Seranthimata; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Hydrogen-bonded chains in 3,5-bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole and complex hydrogen-bonded sheets in (5<i>RS</i>,6<i>SR</i>)-6-(4-fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017707","","","1.54178","CuKα","","0.0722","0.066","","","0.1676","0.1744","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019646","17.5182","0.0007","7.4306","0.0003","17.5595","0.0007","90","","101.252","0.004","90","","2241.8","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>RS</i>,6<i>SR</i>)-6-(4-Fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C25 H23 F2 N3 O4 -","- C25 H23 F2 N3 O4 -","- C100 H92 F8 N12 O16 -","4","1","SK3555","Samshuddin, Seranthimata; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Hydrogen-bonded chains in 3,5-bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole and complex hydrogen-bonded sheets in (5<i>RS</i>,6<i>SR</i>)-6-(4-fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017707","","","1.54178","CuKα","","0.0525","0.0477","","","0.1372","0.1474","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019647","14.0913","0.0011","14.9503","0.0009","22.6588","0.0015","90","","102.3","0.007","90","","4663.9","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)({2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane- κ^2^<i>P</i>,<i>P</i>')[2-(pyridin-4-yl-κ<i>N</i>)-1,3-benzoxazole]copper(I) hexafluoridophosphate","","- C50 H39 Cu F6 N3 O2 P3 -","- C50 H39 Cu F6 N3 O2 P3 -","- C200 H156 Cu4 F24 N12 O8 P12 -","4","1","BG3182","Xu, Kaijie; Hong, Mingwei; Zhang, Yicheng; Song, Li; Chai, Wenxiang","A new heteroleptic cuprous complex with strong yellow photoluminescence","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614018014","","","0.71073","MoKα","","0.1084","0.0528","","","0.1265","0.1595","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019648","16.474","0.004","13.189","0.003","15.113","0.004","90","","98.031","0.004","90","","3251.5","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-[(<i>Z</i>)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C136 H120 N40 O24 -","8","2","YF3066","Alvarez-Thon, Luis; Bustos, Carlos; Molins, Elies; Garland, Maria Teresa; Baggio, Ricardo","On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section C Structural Chemistry","2014","70","9","","","10.1107/S2053229614017173","","","0.71073","MoKα","","0.1224","0.0512","","","0.0944","0.1211","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019649","8.457","0.0004","9.8227","0.0005","11.2448","0.0006","103.327","0.002","107.761","0.002","100.242","0.002","834.03","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-4-[(<i>Z</i>)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C18 H15 F3 N4 O -","- C18 H15 F3 N4 O -","- C36 H30 F6 N8 O2 -","2","1","YF3066","Alvarez-Thon, Luis; Bustos, Carlos; Molins, Elies; Garland, Maria Teresa; Baggio, Ricardo","On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section C Structural Chemistry","2014","70","9","","","10.1107/S2053229614017173","","","0.71073","MoKα","","0.079","0.06","","","0.1789","0.2068","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019650","10.316","0.001","19.7793","0.0019","10.6749","0.0011","90","","118.437","0.002","90","","1915.3","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-tetrakis[μ~3~-(pyridin-2-yl)methanolato-κ^2^<i>N</i>:<i>O</i>]-1:2:4κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>;1:2:3κ^4^<i>O</i>:<i>O</i>:<i>N</i>,<i>O</i>;1:3:4κ^4^<i>O</i>:<i>O</i>:<i>N</i>,<i>O</i>-tetracopper(II)]-di-μ~2~-diacetamidato-1:4'κ^2^<i>N</i>^1^:<i>N</i>^5^;3:2'κ^2^<i>N</i>^1^:<i>N</i>^5^] acetonitrile monosolvate]","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","BG3179","Lv, Hong-Mei; Wang, Su-Na; Li, Da-Cheng; Dou, Jian-Min","A one-dimensional coordination polymer with a capped [Cu~4~O~4~] cubane core assembled from 2-(hydroxymethyl)pyridine","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614016581","","","0.71073","MoKα","","0.0621","0.0467","","","0.1078","0.116","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019651","10.16","0.14","6.97","0.05","10.77","0.1","90","","114.4","0.4","90","","695","13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Calcium pyrophosphate monohydrate","","- Ca2 H2 O8 P2 -","- Ca2 H2 O8 P2 -","- Ca8 H8 O32 P8 -","4","1","KU3136","Gras, Pierre; Ratel-Ramond, Nicolas; Teychéné, Sébastien; Rey, Christian; Elkaim, Erik; Biscans, Béatrice; Sarda, Stéphanie; Combes, Christèle","Structure of the calcium pyrophosphate monohydrate phase (Ca~2~P~2~O~7~·H~2~O): towards understanding the dehydration process in calcium pyrophosphate hydrates","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017446","","","0.71073","MoKα","","0.0812","0.0505","","","","0.1334","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019652","10.002","0.002","9.0293","0.0018","39.251","0.008","90","","95.17","0.03","90","","3530.4","1.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane](η^4^-norbornadiene)rhodium(I) tetrafluoroborate","","- C41 H44 B F4 P2 Rh -","- C41 H44 B F4 P2 Rh -","- C164 H176 B4 F16 P8 Rh4 -","4","2","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0781","0.0463","","","0.0951","0.1026","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019653","10.2285","0.0002","13.9823","0.0003","14.5131","0.0004","90","","108.265","0.0012","90","","1971.06","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane][η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate dichloromethane monosolvate","","- C43 H50 B Cl2 F4 P2 Rh -","- C43 H50 B Cl2 F4 P2 Rh -","- C86 H100 B2 Cl4 F8 P4 Rh2 -","2","1","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0215","0.0201","","","0.0474","0.0481","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019654","8.2704","0.0017","9.927","0.002","11.729","0.002","95.99","0.03","101.66","0.03","97.16","0.03","927.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]","","- C40 H30 N6 O10 Pb2 -","- C40 H30 N6 O10 Pb2 -","- C40 H30 N6 O10 Pb2 -","1","0.5","QS3040","Ma, Fengji; Yu, Caixia; Wang, Huijuan; Zhao, Feng","The three-dimensional coordination polymer poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]","Acta Crystallographica Section C","2014","70","10","934","936","10.1107/S2053229614017951","","","0.71073","MoKα","","0.018","0.0168","","","0.0405","0.041","","","","","","1.063","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019655","3.6848","0.0001","10.0617","0.0002","18.9595","0.0004","90","","94.982","0.001","90","","700.27","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-1,3,4-thiadiazolium hydrogen oxalate","","- C4 H5 N3 O4 S -","- C4 H5 N3 O4 S -","- C16 H20 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0257","0.0228","","","0.066","0.0673","","","","","","2.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019656","11.9022","0.0003","5.3284","0.0002","14.3267","0.0004","90","","96.375","0.001","90","","902.98","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-1,3,4-thiadiazole‒succinic acid (1/2)","","- C10 H15 N3 O8 S -","- C6 H9 N3 O4 S -","- C24 H36 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0349","0.03","","","0.0781","0.081","","","","","","2.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019657","7.162","0.0002","10.0096","0.0002","27.8847","0.0007","90","","90","","90","","1999.02","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1,3,4-thiadiazole‒glutaric acid (1/1)","","- C7 H11 N3 O4 S -","- C7 H11 N3 O4 S -","- C56 H88 N24 O32 S8 -","8","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0361","0.0275","","","0.0646","0.0674","","","","","","1.66","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019658","11.179","0.0002","10.2187","0.0002","9.6532","0.0002","90","","98.116","0.001","90","","1091.69","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","","- C8 H13 N3 O4 S -","- C8 H13 N3 O4 S -","- C32 H52 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.038","0.0292","","","0.0729","0.0754","","","","","","1.88","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019659","8.6557","0.0004","14.0058","0.0007","16.4804","0.0011","111.036","0.001","99.971","0.001","97.835","0.001","1793.28","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Triethyl 4,4',4''-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoate deuterochloroform monosolvate","","- C40 H30 Cl3 D O6 -","- C40 H30 Cl3 D O6 -","- C80 H60 Cl6 D2 O12 -","2","1","WQ3071","Knežević, Nikola Ž.; Novaković, Sladjana B.; Bogdanović, Goran A.","Monomolecular sheets of propeller-shaped triethyl 4,4',4''-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoate deuterochloroform monosolvate","Acta Crystallographica Section C","2014","70","10","937","940","10.1107/S2053229614019147","","","0.71073","MoKα","","0.0638","0.0451","","","0.1203","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019660","15.504","0.005","17.105","0.006","4.4705","0.0013","90","","90","","90","","1185.6","0.7","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptacerium docosazinc silicon","","- Ce7 Si1.05 Zn21.95 -","- Ce7 Si1.054 Zn21.946 -","- Ce14 Si2.108 Zn43.892 -","2","0.25","FN3179","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.03","0.0218","","","0.0321","0.0341","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019661","15.361","0.002","16.984","0.002","4.4555","0.0006","90","","90","","90","","1162.4","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptapraseodymium henicosazinc disilicon","","- Pr7 Si1.91 Zn21.09 -","- Pr7 Si1.914 Zn21.086 -","- Pr14 Si3.828 Zn42.172 -","2","0.25","","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.0446","0.0275","","","0.0446","0.0495","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019662","15.345","0.002","17.001","0.002","4.433","0.0006","90","","90","","90","","1156.5","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptaneodymium docosazinc silicon","","- Nd7 Si1.47 Zn21.53 -","- Nd7 Si1.472 Zn21.528 -","- Nd14 Si2.944 Zn43.056 -","2","0.25","","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.0661","0.035","","","0.0504","0.059","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019663","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0634","0.0482","","","0.0958","0.1064","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019664","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0519","0.0416","","","0.0798","0.0841","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019665","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0591","0.0446","","","0.0754","0.0807","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019666","7.5302","0.0011","9.5115","0.0016","9.6855","0.0014","90","","90","","90","","693.71","0.18","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0901","0.061","","","0.0913","0.1019","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019667","7.0232","0.0003","21.1563","0.0008","7.9679","0.0003","90","","104.428","0.0004","90","","1146.57","0.08","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methyl parathion","Dimethyl 4-nitrophenyl phosphorothioate","","- C8 H10 N O5 P S -","- C8 H10 N O5 P S -","- C32 H40 N4 O20 P4 S4 -","4","1","QS3043","Baughman, Russell G.; Hall, Gabriel B.","Two organophosphorus pesticides: methyl parathion and dicapthon","Acta Crystallographica Section C","2014","70","10","975","977","10.1107/S2053229614020233","","","0.71073","MoKα","","0.0263","0.0251","","","0.067","0.0678","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019668","10.9108","0.0014","17.0968","0.0019","6.894","0.0006","90","","101.65","0.05","90","","1259.5","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Dicapthon","2-Chloro-4-nitrophenyl dimethyl phosphorothioate","","- C8 H9 Cl N O5 P S -","- C8 H9 Cl N O5 P S -","- C32 H36 Cl4 N4 O20 P4 S4 -","4","1","QS3043","Baughman, Russell G.; Hall, Gabriel B.","Two organophosphorus pesticides: methyl parathion and dicapthon","Acta Crystallographica Section C","2014","70","10","975","977","10.1107/S2053229614020233","","","0.71073","MoKα","","0.0441","0.0347","","","0.0919","0.0981","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019669","7.575","0.005","11.41","0.005","10.106","0.005","90","","90","","90","","873.5","0.8","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[diaqua(μ~2~-benzene-1,2-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^)(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)]","","- C18 H16 Co N2 O6 -","- C18 H12 Co N2 O6 -","- C36 H24 Co2 N4 O12 -","2","0.5","SK3564","Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H~2~O)~2~]·2H~2~O}~<i>n~</i> into orthorhombic [Co(pht)(bpy)(H~2~O)~2~]~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine)","Acta Crystallographica Section C","2014","70","10","978","982","10.1107/S2053229614020427","","","0.71073","MoKα","","0.0979","0.0635","","","0.1484","0.1705","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019670","16.406","0.002","13.8849","0.0017","21.57","0.003","90","","93.458","0.002","90","","4904.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane","","- C48 H40 O12 Si8 -","- C48 H40 O12 Si8 -","- C192 H160 O48 Si32 -","4","0.5","FN3178","Chinnam, Parameswara Rao; Gau, Michael R.; Schwab, Joseph; Zdilla, Michael J.; Wunder, Stephanie L.","The polyoctahedral silsesquioxane (POSS) 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane (octaphenyl-POSS)","Acta Crystallographica Section C","2014","70","10","971","974","10.1107/S2053229614019834","","","0.71073","MoKα","","0.0388","0.0351","","","0.0919","0.0947","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019671","21.8864","0.0009","11.2268","0.0004","24.267","0.0009","90","","90","","90","","5962.7","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-fluorophenyl)-2,4-bis(pyridine-2-carbonyl)1-(pyridin-2-yl)cyclohexanol","","- C35 H27 F2 N3 O3 -","- C35 H27 F2 N3 O3 -","- C280 H216 F16 N24 O24 -","8","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0594","0.0458","","","0.1192","0.1305","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019672","16.5446","0.0006","53.4204","0.0017","15.5857","0.0004","90","","90","","90","","13774.9","0.8","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-chlorophenyl)-2,4-bis(pyridine-2-carbonyl)-1-(pyridin-2-yl)cyclohexanol acetone 0.951-solvate","","- C37.853 H32.706 Cl2 N3 O3.951 -","- C37.853 H32.706 Cl2 N3 O3.951 -","- C605.648 H523.296 Cl32 N48 O63.216 -","16","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0467","0.039","","","0.1046","0.1091","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019673","9.5741","0.0004","10.7061","0.0003","15.9952","0.0006","92.863","0.003","97.443","0.003","103.618","0.003","1574.5","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)- 3,5-Bis(4-bromophenyl)-2,4-bis(pyridine-2-carbonyl)-1-(pyridin-2-yl)cyclohexanol","","- C35 H27 Br2 N3 O3 -","- C35 H27 Br2 N3 O3 -","- C70 H54 Br4 N6 O6 -","2","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0544","0.0464","","","0.1339","0.1405","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019674","19.479","0.004","6.9971","0.0014","13.235","0.003","90","","132.52","0.03","90","","1329.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[(μ~4~-5-aminotetrazolato-\ κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^:)chlorido-μ~3~-\ hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]","","- C7 H7.28 Cd2 Cl N6 O3.14 -","- C7 H7 Cd2 Cl N6 O3.142 -","- C28 H28 Cd8 Cl4 N24 O12.568 -","4","0.5","SK3551","Wang, Yao; Guan, Ying-Fang; Liu, Jian-Jun; Huang, Chang-Cang","A pillared framework coordination polymer based on the Cd~3~(μ~3~-OH) unit: poly[[(μ~4~-5-aminotetrazolato-κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-μ~3~-hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]","Acta Crystallographica Section C","2014","70","10","983","986","10.1107/S205322961402052X","","","0.71073","MoKα","","0.0184","0.0169","","","0.039","0.0395","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019675","8.4573","0.0017","19.181","0.004","10.936","0.002","90","","103.74","0.03","90","","1723.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetramethyl 4,4'-(ethane-1,2-diylidene)bis(5-oxo-1-mesityl-4,5-dihydro-1<i>H</i>-pyrrole-2,3-dicarboxylate)","Tetramethyl 4,4'-(ethane-1,2-diylidene)bis[5-oxo-1-(2,4,6-trimethylphenyl)-4,5-dihydro-1<i>H</i>-pyrrole-2,3-dicarboxylate]","","- C36 H36 N2 O10 -","- C36 H36 N2 O10 -","- C72 H72 N4 O20 -","2","0.5","FN3174","Liu, Qi; Song, Xiu-Qing; Yan, Hong","NMR analysis of a series of 1,2-bis(1-<i>R</i>-5-oxo-2,3-dihydro-1<i>H</i>-pyrrol-4-ylidene)ethanes and X-ray crystal structure analysis of the <i>R</i> = mesityl compound","Acta Crystallographica Section C","2014","70","10","965","970","10.1107/S2053229614020099","","","0.71073","MoKα","","0.092","0.0677","","","0.1779","0.1977","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019676","11.1299","0.001","13.1194","0.0012","23.797","0.002","90","","90","","90","","3474.8","0.5","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene <i>n</i>-solvate","","- C38 H12 Cu F20 O4 -","- C38 H12 Cu F20 O4 -","- C152 H48 Cu4 F80 O16 -","4","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0465","0.0308","","","0.0722","0.0794","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019677","7.5688","0.0004","11.8976","0.0006","12.2578","0.0006","90.7758","0.0005","99.1187","0.0005","105.847","0.0005","1046.57","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene disolvate","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","1","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0275","0.0265","","","0.0735","0.0741","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019678","13.8034","0.0016","14.2545","0.0017","14.9313","0.0017","90","","108.061","0.0013","90","","2793.1","0.6","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene tetrasolvate","","- C62 H42 Cu F20 O4 -","- C62 H42 Cu F20 O4 -","- C124 H84 Cu2 F40 O8 -","2","1","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0552","0.0395","","","0.0857","0.0927","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019679","7.6371","0.0002","19.0042","0.0006","5.67758","0.00014","90","","90","","90","","824.03","0.04","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","9<i>H</i>-carbazole","","- C12 H9 N -","- C12 H9 N -","- C48 H36 N4 -","4","0.5","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0385","0.0327","","","0.0898","0.0929","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019680","10.4341","0.0009","5.3101","0.0004","17.2566","0.0014","90","","99.951","0.008","90","","941.74","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-nitro-9<i>H</i>-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0912","0.0526","","","0.1192","0.1315","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019681","14.7742","0.0007","7.2681","0.0003","17.2792","0.0008","90","","90","","90","","1855.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-nitro-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C96 H64 N16 O16 -","8","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0672","0.034","","","0.0743","0.0804","","","","","","0.855","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019682","14.7042","0.0004","14.0074","0.0004","37.95","0.0009","90","","90","","90","","7816.5","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","catena-poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C320 H288 Cd16 N64 O64 -","16","1","WQ3072","Li, Qiang; Wang, Hui-Ting; Ye, Qiong","One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands","Acta Crystallographica Section C","2014","70","10","992","997","10.1107/S2053229614020853","","","0.71073","MoKα","","0.0388","0.0296","","","0.0649","0.0678","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019683","11.476","0.007","11.641","0.007","14.064","0.013","90","","90.701","0.014","90","","1879","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C80 H72 Cd4 N16 O16 -","4","0.5","WQ3072","Li, Qiang; Wang, Hui-Ting; Ye, Qiong","One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands","Acta Crystallographica Section C","2014","70","10","992","997","10.1107/S2053229614020853","","","0.71073","MoKα","","0.0741","0.0662","","","0.1895","0.1953","","","","","","1.229","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019684","8.8477","0.0006","9.7545","0.0006","10.0198","0.0007","79.993","0.002","77.973","0.002","83.658","0.002","830.43","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N,N,N',N'-tetraethyl-N''-(4-fluorobenzoyl)phosphoric triamide","","- C15 H25 F N3 O2 P -","- C15 H25 F N3 O2 P -","- C30 H50 F2 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","0.71073","MoKα","","0.0363","0.0326","","","0.0851","0.0891","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019685","9.6501","0.0012","10.058","0.0013","10.9947","0.0015","75.392","0.003","77.744","0.004","88.084","0.004","1008.9","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorobenzoyl)-N',N''-bis(4-methylpiperidin-1-yl)phosphoric triamide","","- C19 H28 F2 N3 O2 P -","- C19 H28 F2 N3 O2 P -","- C38 H56 F4 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","0.71073","MoKα","","0.0421","0.0335","","","0.0821","0.0869","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019686","10.3245","0.0002","10.5131","0.0002","11.3253","0.0002","67.915","0.001","77.902","0.001","79.978","0.001","1107.61","0.04","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N,N'-dicyclohexyl-N''-(2-fluorobenzoyl)-N,N'-dimethylphosphoric triamide","","- C21 H33 F N3 O2 P -","- C21 H33 F N3 O2 P -","- C42 H66 F2 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","1.54178","CuKα","","0.0393","0.0386","","","0.1018","0.1025","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019687","14.2636","0.0006","16.6789","0.0006","6.0084","0.0002","90","","90","","90","","1429.41","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","SK3565","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet","Acta Crystallographica Section C","2014","70","11","1011","1016","10.1107/S2053229614021524","","","0.71073","MoKα","","0.0407","0.0354","","","0.0968","0.0998","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019688","17.2244","0.0005","5.9552","0.0002","18.5173","0.0006","90","","112.83","0.001","90","","1750.61","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-2-Amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","SK3565","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet","Acta Crystallographica Section C","2014","70","11","1011","1016","10.1107/S2053229614021524","","","0.71073","MoKα","","0.0499","0.0408","","","0.1084","0.1161","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019689","5.3891","0.0003","28.3231","0.0013","9.2503","0.0004","90","","95.434","0.003","90","","1405.58","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2(-4-Phenoxyphenylmethyl)thiirane","(<i>R</i>)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (<i>R</i>)- and (<i>S</i>)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0457","0.0378","","","0.092","0.0966","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019690","5.3887","0.0003","28.3506","0.0012","9.2463","0.0004","90","","95.463","0.003","90","","1406.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","(<i>S</i>)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (<i>R</i>)- and (<i>S</i>)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0616","0.0536","","","0.1392","0.1427","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019691","12.736","0.003","20.481","0.004","10.038","0.002","90","","90","","90","","2618.4","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-ethyl-3-methylimidazolium heptabromidopentacupprate(I)","<i>catena</i>-Poly[bis(1-ethyl-3-methylimidazolium) [μ~5~-bromido-tri-μ~3~-bromido-tri-μ~2~-bromido-pentacuprate(I)]]","","- C12 H22 Br7 Cu5 N4 -","- C12 H22 Br7 Cu5 N4 -","- C48 H88 Br28 Cu20 N16 -","4","0.5","BG3188","Karanović, Ljiljana; Poleti, Dejan; Dordević, Tamara","Ionothermal synthesis and crystal structure of a new organic‒inorganic hybrid compound: <i>catena</i>-poly[bis(1-ethyl-3-methylimidazolium) [hepta-μ-bromido-pentacuprate(I)]]","Acta Crystallographica Section C","2014","70","11","1021","1024","10.1107/S205322961402172X","","","0.71073","MoKα","","0.0555","0.0317","","","0.061","0.0691","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019692","4.8046","0.0009","13.072","0.002","15.357","0.003","89.785","0.002","89.66","0.002","86.666","0.002","962.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'</i>)copper(II)]:","","- C18 H4 Cu F10 N2 O4 -","- C18 H4 Cu F10 N2 O4 -","- C36 H8 Cu2 F20 N4 O8 -","2","1","DT3026","Han, Li-Juan; Kong, Ya-Jie","Poly[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2014","70","11","1017","1020","10.1107/S2053229614021536","","","0.71073","MoKα","","0.0492","0.0343","","","0.0842","0.1001","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019693","4.81","0.0012","13.095","0.003","15.366","0.004","89.784","0.003","89.654","0.003","86.678","0.003","966.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'</i>)copper(II)]:","","- C18 H4 Cu F10 N2 O4 -","- C18 H4 Cu F10 N2 O4 -","- C36 H8 Cu2 F20 N4 O8 -","2","1","DT3026","Han, Li-Juan; Kong, Ya-Jie","Poly[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2014","70","11","1017","1020","10.1107/S2053229614021536","","","0.71073","MoKα","","0.0413","0.0369","","","0.098","0.1015","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019694","5.335","0.004","18.437","0.014","16.471","0.012","90","","90.488","0.01","90","","1620","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-\ κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-\ κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]","","- C16 H16 Cd N3 O5 -","- C16 H16 Cd N3 O5 -","- C64 H64 Cd4 N12 O20 -","4","1","SK3554","Shen, Hong","A three-dimensional Cd^II^ coordination framework: poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]","Acta Crystallographica Section C","2014","70","11","1025","1028","10.1107/S2053229614020610","","","0.71073","MoKα","","0.0596","0.0381","","","0.0757","0.0838","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019695","15.429","0.002","11.5947","0.0017","18.36","0.003","90","","101.23","0.003","90","","3221.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate]","","- C24 H22 Mn2 Mo N16 O4 -","- C24 H22 Mn2 Mo N16 O4 -","- C96 H88 Mn8 Mo4 N64 O16 -","4","0.5","WQ3073","Xu, Xiao-Juan","A three-dimensional cyanide-bridged heterometallic coordination polymer: poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate]","Acta Crystallographica Section C","2014","70","11","1029","1032","10.1107/S2053229614020117","","","0.71073","MoKα","","0.0581","0.0525","","","0.1294","0.1306","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019696","8.929","0.002","8.982","0.002","11.777","0.003","99.926","0.003","106.081","0.003","91.596","0.003","891.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)]","","- C17 H16 Cl N6 O2 Zn -","- C17 H16 Cl N6 O2 Zn -","- C34 H32 Cl2 N12 O4 Zn2 -","2","1","WQ3075","Xu, Xiao-Juan","A one-dimensional Zn^II^ coordination polymer: poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)]","Acta Crystallographica Section C","2014","70","11","1033","1035","10.1107/S2053229614022177","","","0.71073","MoKα","","0.0959","0.0579","","","0.1287","0.1464","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019697","13.535","0.005","18.982","0.005","19.08","0.005","90","","90.06","0.005","90","","4902","3","123","2","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tricaesium sodium nonagermanide‒ammonia (1/5.3)","","- Cs3.2 Ge9 H15.89 N5.3 Na0.8 -","- Cs3.205 Ge9 N5.295 Na0.795 -","- Cs25.64 Ge72 N42.36 Na6.36 -","8","2","FN3177","Gärtner, Stefanie; Suchentrunk, Christof; Korber, Nikolaus","Coordination preferences of the alkali cations sodium and caesium in the mixed-cationic Zintl ammoniate Cs~3.2~Na~0.8~Ge~9~·5.3NH~3~","Acta Crystallographica Section C","2014","70","11","1036","1039","10.1107/S2053229614021998","","","0.71073","MoKα","","0.0405","0.0365","","","0.0896","0.0914","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019698","16.6753","0.0007","9.8281","0.0005","22.4931","0.001","90","","90.747","0.002","90","","3686","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","myo inositol","2,4(6)-Di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O8 -","- C21 H18 O8 -","- C168 H144 O64 -","8","2","YF3071","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Correlation of the solid-state reactivities of racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate and its 4,4'-bipyridine cocrystal with their crystal structures","Acta Crystallographica Section C","2014","70","11","1040","1045","10.1107/S2053229614021834","","","0.71073","MoKα","","0.0893","0.0555","","","0.1163","0.1329","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019699","10.7434","0.0003","11.4077","0.0004","11.7341","0.0004","82.246","0.002","65.849","0.002","89.549","0.002","1298.44","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","myo inositol cocrystal","Racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate‒4,4'-bipyridine (1/1)","","- C31 H26 N2 O8 -","- C31 H26 N2 O8 -","- C62 H52 N4 O16 -","2","1","YF3071","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Correlation of the solid-state reactivities of racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate and its 4,4'-bipyridine cocrystal with their crystal structures","Acta Crystallographica Section C","2014","70","11","1040","1045","10.1107/S2053229614021834","","","0.71073","MoKα","","0.0572","0.0467","","","0.1167","0.1242","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2019700","8.8694","0.0018","17.827","0.004","9.4062","0.0019","90","","107.25","0.03","90","","1420.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[tetramethylphosphonium [μ-chlorido-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C8 H12 Cd Cl N6 P -","- C8 H12 Cd Cl N6 P -","- C32 H48 Cd4 Cl4 N24 P4 -","4","1","BG3186","Li, Qiang; Wang, Hui-Ting","A new three-dimensional anionic cadmium(II) dicyanamide network","Acta Crystallographica Section C","2014","70","11","1054","1056","10.1107/S2053229614022360","","","0.71073","MoKα","","0.0393","0.0307","","","0.0692","0.0726","","","","","","1.162","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019701","7.6347","0.0008","12.314","0.0009","8.3675","0.0008","90","","90.855","0.008","90","","786.57","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diaqua(sulfato-κ<i>O</i>)copper(II)]-μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>']","","- C2 H9 Cu N O8 S -","- C2 H9 Cu N O8 S -","- C8 H36 Cu4 N4 O32 S4 -","4","1","SK3562","Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan","<i>In situ</i> single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer <i>catena</i>-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)]","Acta Crystallographica Section C","2014","70","11","1057","1063","10.1107/S2053229614021123","","","0.71073","MoKα","","0.0261","0.0227","","","0.0541","0.0549","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019702","4.8131","0.0008","7.787","0.001","7.9262","0.0011","90","","107.729","0.012","90","","282.96","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>')(μ~4~-sulfato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'')copper(II)],","","- C2 H5 Cu N O6 S -","- C2 H5 Cu N O6 S -","- C4 H10 Cu2 N2 O12 S2 -","2","1","SK3562","Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan","<i>In situ</i> single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer <i>catena</i>-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)]","Acta Crystallographica Section C","2014","70","11","1057","1063","10.1107/S2053229614021123","","","0.71073","MoKα","","0.0693","0.0559","","","0.1263","0.1317","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019703","5.9191","0.0014","18.164","0.004","16.605","0.004","90","","98.343","0.006","90","","1766.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","WQ3074","Li, Xiang; Wang, Zhi-Gang; Chen, Hou-He; Liu, Sheng-Gao","The antioxidant methyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate","Acta Crystallographica Section C","2014","70","11","1050","1053","10.1107/S2053229614021445","","","0.71073","MoKα","","0.0791","0.0543","","","0.1503","0.1644","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019704","12.7399","0.0008","15.6208","0.0009","21.589","0.0013","121.63","0.0016","97.8306","0.0019","116.728","0.0017","2849.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>tert</i>-Butyl <i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyrylglycine 0.075-hydrate","","- C26 H40 N4 O7.075 -","- C26 H40 N4 O7.075 -","- C104 H160 N16 O28.3 -","4","2","KU3140","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The achiral tetrapeptide <i>Z</i>-Aib-Aib-Aib-Gly-OtBu","Acta Crystallographica Section C","2014","70","11","1046","1049","10.1107/S2053229614022165","","","1.54178","CuKα","","0.0404","0.0383","","","0.0952","0.0986","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019705","7.998","0.002","11.085","0.003","11.696","0.002","61.92","0.02","84.921","0.018","79.928","0.019","900.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophen-2-carbonyl)isothiourea","","- C18 H18 N4 O S2 -","- C18 H18 N4 O S2 -","- C36 H36 N8 O2 S4 -","2","1","SK3568","Castro, Edison; Insuasty, Henry; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring","Acta Crystallographica Section C","2014","70","11","1064","1068","10.1107/S205322961402244X","","","0.71073","MoKα","","0.1333","0.0574","","","0.0949","0.1192","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019706","15.285","0.003","5.7077","0.0011","16.907","0.003","90","","98.912","0.005","90","","1457.2","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium(II)]-bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')]","","- C30 H34 Cd N2 O6 P2 -","- C30 H34 Cd N2 O6 P2 -","- C60 H68 Cd2 N4 O12 P4 -","2","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.71073","MoKα","","0.0695","0.0482","","","0.0976","0.1148","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019707","23.695","0.002","12.8861","0.0012","11.1594","0.001","90","","90","","90","","3407.4","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)] dimethylformamide monosolvate]","","- C37 H35 Cd N3 O5 P2 -","- C37 H35 Cd N3 O5 P2 -","- C148 H140 Cd4 N12 O20 P8 -","4","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.7749","synchrotron","","0.0442","0.0392","","","0.1007","0.1058","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019708","9.0358","0.0005","9.0395","0.0004","11.4988","0.0007","90","","111.298","0.006","90","","875.07","0.09","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","Hobartine","(1<i>R</i>)-3-[(1<i>S</i>,5<i>S</i>)-(4,4,8-Trimethylbicyclo[3.3.1]non-7-en-2-yl)methyl]-2,3-dihydro-1<i>H</i>-indole","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","FN3181","Paz Robles, Cristian; Badilla Vidal, Natalia; Suarez, Sebastián; Baggio, Ricardo","Hobartine: a tetracyclic indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2014","70","11","1075","1078","10.1107/S205322961402258X","","","0.71073","MoKα","","0.0684","0.0479","","","0.1207","0.1395","","","","","","0.842","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019709","12.664","0.006","30.334","0.015","7.06","0.004","90","","90","","90","","2712","2","296","2","296","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benwq3074zoato]cadmium(II)]","","- C15 H10 Cd O6 -","- C15 H10 Cd O6 -","- C120 H80 Cd8 O48 -","8","","LG3147","Chen, Hui-Ru; Zhang, Wen-Wen","A novel two-dimensional Cd^II^ coordination polymer: poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benzoato]cadmium(II)]","Acta Crystallographica Section C","2014","70","11","1079","1082","10.1107/S2053229614022852","","","0.71073","MoKα","","0.0417","0.0282","","","0.051","0.0547","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019710","16.343","0.003","5.7477","0.0011","16.812","0.003","90","","91.1","0.03","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[piperazine-1,4-dium [tetra-μ~3~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^1^-hexa-μ~2~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^-di-μ~2~-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-pentacopper(II)] tetrahydrate]","","- C4 H20 Cu5 N38 O4 -","- C4 H20 Cu5 N38 O4 -","- C8 H40 Cu10 N76 O8 -","2","0.5","WQ3076","Liu, Hou-Ting; Lu, Jing","An azide-bridged copper(II) complex: poly[piperazine-1,4-dium [tetra-μ~3~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^1^-hexa-μ~2~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^-di-μ~2~-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-pentacopper(II)] tetrahydrate]","Acta Crystallographica Section C","2014","70","11","1083","1087","10.1107/S2053229614022190","","","0.71073","MoKα","","0.0506","0.0314","","","0.0634","0.0724","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019711","6.6327","0.001","11.4385","0.0014","7.5069","0.0012","90","","108.488","0.012","90","","540.14","0.14","173","2","173","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","hexabromodisilane","","- Br6 Si2 -","- Br6 Si2 -","- Br12 Si4 -","2","0.25","QS3044","Berger, Matthias; Auner, Norbert; Bolte, Michael","Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures","Acta Crystallographica Section C","2014","70","11","1088","1091","10.1107/S2053229614022992","","","0.71073","MoKα","","0.1056","0.093","","","0.209","0.2178","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019712","7.1436","0.0009","7.1436","0.0009","22.213","0.003","90","","90","","120","","981.7","0.2","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I18 Si6 -","3","0.166667","QS3044","Berger, Matthias; Auner, Norbert; Bolte, Michael","Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures","Acta Crystallographica Section C","2014","70","11","1088","1091","10.1107/S2053229614022992","","","0.71073","MoKα","","0.051","0.047","","","0.1211","0.1234","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019713","11.8377","0.0014","18.664","0.002","9.8566","0.0011","90","","96.374","0.002","90","","2164.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]","","- C22 H17 Cd N5 O6 -","- C22 H17 Cd N5 O6 -","- C88 H68 Cd4 N20 O24 -","4","1","FG3328","Li, Le; Tao, Jian-Qing","A twofold interpenetrating three-dimensional Cd^II^ coordination framework: poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024206","","","0.71073","MoKα","","0.0365","0.0282","","","0.0634","0.0664","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019714","27.53","0.002","5.4713","0.0005","7.9284","0.0007","90","","95.009","0.002","90","","1189.65","0.17","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-4-[(phenylselanyl)methyl]benzene","","- C14 H14 O Se -","- C14 H14 O Se -","- C56 H56 O4 Se4 -","4","1","LG3148","White, Jonathan Michael; Blanc, Paul","The effects of σ~C{—~Se}‒π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022724","","","0.71073","MoKα","","0.0402","0.035","","","0.0852","0.0885","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019715","7.4037","0.0008","14.436","0.0015","10.9253","0.0012","90","","90.706","0.002","90","","1167.6","0.2","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Nitro-4-[(phenylselanyl)methyl]benzene","","- C13 H11 N O2 Se -","- C13 H11 N O2 Se -","- C52 H44 N4 O8 Se4 -","4","1","","White, Jonathan Michael; Blanc, Paul","The effects of σ~C{—~Se}‒π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022724","","","0.71073","MoKα","","0.0449","0.0413","","","0.104","0.1056","","","","","","1.206","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019716","28.848","0.002","7.6951","0.0006","11.5552","0.0009","90","","90","","90","","2565.1","0.3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","","- C14 H10 O6 Pb -","- C14 H10 O6 Pb -","- C112 H80 O48 Pb8 -","8","1","FA3353","Xu, Xiao-Juan","A two-dimensional coordination polymer: poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023754","","","0.71073","MoKα","","0.039","0.0289","","","0.0649","0.0689","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019717","6.6766","0.0004","7.1292","0.0004","16.0995","0.001","78.423","0.005","84.663","0.005","65.46","0.005","682.87","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","SK3569","Paz Robles, Cristian; Mercado, Darío; Suarez, Sebastián; Baggio, Ricardo","Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from <i>Drimys winteri</i> extracts","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402395X","","","0.71069","MoKα","","0.068","0.0486","","","0.1155","0.1299","","","","","","1.009","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2019718","9.3916","0.0017","12.398","0.002","11.313","0.002","90","","105.216","0.006","90","","1271.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0606","0.0434","","","0.0964","0.1037","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019719","4.87","0.0007","18.694","0.003","17.196","0.003","90","","98.05","0.005","90","","1550.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C64 H60 Cl4 N8 O12 -","4","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0433","0.0374","","","0.0901","0.0939","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019720","9.1903","0.001","9.619","0.001","9.7443","0.0011","93.132","0.003","101.859","0.003","101.684","0.003","821.38","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazol-3-ium bromide","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C36 H34 Br2 N4 O4 -","2","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0383","0.0276","","","0.0595","0.0631","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019721","10.2772","0.00019","19.336","0.0004","15.9587","0.0003","90","","90","","90","","3171.31","0.11","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene","","- C40 H32 O6 -","- C40 H32 O6 -","- C160 H128 O24 -","4","0.5","KY3065","Yoshiwaka, Sayaka; Sasagawa, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Comparative structural analysis of 2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene and its homologues: orientation of the 4-phenoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022967","","","1.54187","CuKα","","0.0396","0.0377","","","0.1036","0.1052","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019722","5.0104","0.0003","13.0418","0.0007","20.861","0.0009","90","","90","","90","","1363.15","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-cyclopropyl-7-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","1","FN3183","Yang, Haozhe; Budow-Busse, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Cyclopropyl-2'-deoxytubercidin: a carbocyclic side-chain derivative of 7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402378X","","","0.71073","MoKα","","0.0467","0.0402","","","0.0938","0.0978","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019723","18.949","0.005","5.685","0.005","24.783","0.005","90","0.005","109.575","0.005","90","0.005","2515","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(3-Azaniumylpropyl)morpholin-4-ium chloride hydrogen oxalate","","- C9 H19 Cl N2 O5 -","- C9 H19 Cl N2 O5 -","- C72 H152 Cl8 N16 O40 -","8","1","FM3027","Traut-Johnstone, Telisha; Kriel, Frederik H.; Hewer, Raymond; Williams, D. Bradley G.","4-(3-Azaniumylpropyl)morpholin-4-ium chloride hydrogen oxalate: an unusual example of a dication with different counter-anions","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022232","","","0.71073","MoKα","","0.0299","0.0281","","","0.0785","0.0802","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019724","7.5599","0.0004","13.9247","0.0007","12.2049","0.0005","90","","90","","90","","1284.8","0.11","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[bis(pyridin-2-yl-κ<i>N</i>)amine]tetrachloridoplatinum(IV)","","- C10 H9 Cl4 N3 Pt -","- C10 H9 Cl4 N3 Pt -","- C40 H36 Cl16 N12 Pt4 -","4","0.5","DT3029","Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti","Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614021548","","","0.71073","MoKα","","0.0316","0.0259","","","0.0534","0.0561","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019725","7.6126","0.0013","8.8933","0.0007","9.5996","0.0008","115.042","0.004","98.263","0.005","105.452","0.006","542.5","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[bis(pyridin-2-yl-κ<i>N</i>)aminido]dichloridogold(III)","","- C10 H8 Au Cl2 N3 -","- C10 H8 Au Cl2 N3 -","- C20 H16 Au2 Cl4 N6 -","2","1","DT3029","Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti","Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614021548","","","0.71073","MoKα","","0.0253","0.0235","","","0.0593","0.0601","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019726","7.2649","0.0003","10.6796","0.0003","17.4288","0.0005","90","","96.823","0.003","90","","1342.66","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-[(Hydroxyimino)methyl]pyridinium diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zinc(II)","Bis{4-[(hydroxyimino)methyl]pyridinium} diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zincate(II)","","- C26 H24 N6 O12 Zn -","- C26 H24 N6 O12 Zn -","- C52 H48 N12 O24 Zn2 -","2","0.5","DT3027","Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia","Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023109","","","0.71073","MoKα","","0.043","0.034","","","0.0846","0.0906","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019727","6.7644","0.0002","18.5124","0.0005","15.3595","0.0006","90","","90","","90","","1923.4","0.11","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II)","(Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II)","","- C19 H15 N5 O6 Zn -","- C19 H15 N5 O6 Zn -","- C76 H60 N20 O24 Zn4 -","4","0.5","DT3027","Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia","Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023109","","","0.71073","MoKα","","0.0432","0.032","","","0.0783","0.0834","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019728","10.6887","0.0005","13.8505","0.0005","17.5554","0.001","90","","93.926","0.004","90","","2592.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium tetrachloridoaluminate benzene hemisolvate","","- C19 H39 Al Cl4 N -","- C19 H39 Al Cl4 N -","- C76 H156 Al4 Cl16 N4 -","4","1","SK3567","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system","Acta Crystallographica Section C Structural Chemistry","2014","70","12","","","10.1107/S2053229614022621","","","0.71073","MoKα","","0.0627","0.0581","","","0.1577","0.1616","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019729","14.0348","0.001","8.1362","0.0007","12.8892","0.0012","90","","90","","90","","1471.8","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoaluminate","","- C8 H20 Al Cl4 N -","- C8 H20 Al Cl4 N -","- C32 H80 Al4 Cl16 N4 -","4","1","SK3567","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system","Acta Crystallographica Section C Structural Chemistry","2014","70","12","","","10.1107/S2053229614022621","","","0.71073","MoKα","","0.0245","0.0226","","","0.0514","0.0518","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019730","12.88","0.0009","4.0398","0.0003","15.2317","0.0011","90","","111.263","0.007","90","","738.59","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-3-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C24 H20 Cl4 N8 O8 -","4","1","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0598","0.0452","","","0.1014","0.111","","","","","","1.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019731","12.726","0.0004","7.9721","0.0002","15.0098","0.0004","90","","110.352","0.003","90","","1427.73","0.07","120","0.14","120","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Chloro-3-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0258","0.0241","","","0.0647","0.0657","","","","","","1.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019732","12.5219","0.0008","4.2601","0.0003","16.0008","0.0009","90","","111.556","0.006","90","","793.86","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C24 H20 I4 N8 O8 -","4","1","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0626","0.0527","","","0.1146","0.1202","","","","","","2.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019733","12.5188","0.0009","8.2955","0.0005","15.9287","0.001","90","","111.141","0.006","90","","1542.86","0.19","120","0.14","120","0.14","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","0.71069","MoKα","","0.125","0.0477","","","0.0932","0.1181","","","","","","1.32","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019734","9.396","0.004","10.558","0.005","15.129","0.007","95.157","0.008","103.433","0.008","107.007","0.008","1375.7","1.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","[5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato]palladium(II)","","- C34 H22 Br2 N4 Pd -","- C34 H22 Br2 N4 Pd -","- C68 H44 Br4 N8 Pd2 -","2","1","OV3055","Senge, Mathias O.; Zawadzka, Monika","Structural investigation of 5,10-<i>A</i>~2~<i>B</i>~2~-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023687","","","0.71073","MoKα","","0.0859","0.0631","","","0.1635","0.1802","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019735","10.28","0.003","11.637","0.004","14.052","0.004","110.195","0.002","95.785","0.002","105.564","0.004","1484.6","0.8","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","[5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato](methanol)zinc(II)","","- C35 H26 Br2 N4 O Zn -","- C35 H25 Br2 N4 O Zn -","- C70 H50 Br4 N8 O2 Zn2 -","2","1","","Senge, Mathias O.; Zawadzka, Monika","Structural investigation of 5,10-<i>A</i>~2~<i>B</i>~2~-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023687","","","0.71075","MoKα","","0.0605","0.0413","","","0.1015","0.1103","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019736","15.06714","0.00017","8.30759","0.00008","19.5481","0.0002","90","","90","","90","","2446.87","0.04","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>cis</i>-Ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate","","- C11 H18 N2 O2 S -","- C11 H18 N2 O2 S -","- C88 H144 N16 O16 S8 -","8","2","KY3066","Schwehm, Carolin; Lewis, William; Blake, Alexander J.; Kellam, Barrie; Stocks, Michael J.","Preparation and structural analysis of (±)-<i>cis</i>-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-<i>trans</i>-ethyl 2-oxooctahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine-5-carboxylate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402436X","","","1.54184","CuKα","","0.035","0.0343","","","0.0906","0.0912","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019737","8.5204","0.0006","6.4089","0.0004","19.5921","0.0016","90","","96.381","0.008","90","","1063.23","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C40 H64 N8 O12 -","4","1","","Schwehm, Carolin; Lewis, William; Blake, Alexander J.; Kellam, Barrie; Stocks, Michael J.","Preparation and structural analysis of (±)-<i>cis</i>-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-<i>trans</i>-ethyl 2-oxooctahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine-5-carboxylate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402436X","","","1.54184","CuKα","","0.0583","0.0479","","","0.1258","0.1357","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019738","9.0897","0.0007","18.6342","0.0015","12.2598","0.0008","90","","90","","90","","2076.6","0.3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylphosphorothioic triamide","","- C18 H36 N3 P S -","- C18 H36 N3 P S -","- C72 H144 N12 P4 S4 -","4","0.5","","Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud","Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022608","","","0.71073","MoKα","","0.0723","0.0463","","","0.1134","0.1304","","","","","","1.8","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019739","9.938","0.001","16.3798","0.001","8.4156","0.0006","90","","104.553","0.011","90","","1325.96","0.19","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>O</i>,<i>O</i>'-Diethyl (2-phenylhydrazin-1-yl)thiophosphonate","","- C10 H17 N2 O2 P S -","- C10 H17 N2 O2 P S -","- C40 H68 N8 O8 P4 S4 -","4","1","","Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud","Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022608","","","0.7107","MoKα","","0.0399","0.0337","","","0.1009","0.1063","","","","","","1.78","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019740","16.7649","0.0014","13.474","0.002","21.0984","0.0012","90","","96.671","0.003","90","","4733.7","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquadi-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-(dimethylformamide-κ<i>O</i>)bis(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbium(III)molybdate(V)] 4.5-hydrate]","","- C86 H100 Mo2 N26 O13 Tb2 -","- C86 H100 Mo2 N26 O13 Tb2 -","- C172 H200 Mo4 N52 O26 Tb4 -","2","0.5","OV3054","Shen, Hong","The synthesis, crystal structure and magnetic properties of a one-dimensional terbium(III)‒octacyanidomolybdate(V) assembly","Acta Crystallographica Section C","2014","70","12","1169","1173","10.1107/S2053229614024085","","","0.71073","MoKα","","0.0675","0.0616","","","0.148","0.1488","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019741","6.0706","0.0012","17.914","0.004","21.75","0.004","90","","93.54","0.03","90","","2360.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κ<i>N</i>]zinc(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C26 H22 N2 O7 Zn -","- C26 H22 N2 O7 Zn -","- C104 H88 N8 O28 Zn4 -","4","1","YP3085","Yu, Cai-Xia; Ma, Feng-Ji; Liu, Lei-Lei; Liu, Cong","A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid","Acta Crystallographica Section C","2014","70","12","1178","1180","10.1107/S2053229614025546","","","0.71073","MoKα","","0.0351","0.027","","","0.065","0.0691","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019742","5.9725","0.0001","17.0935","0.0002","22.8179","0.0003","90","","90","","90","","2329.5","0.06","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-(Ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane]","","- C28 H28 P2 -","- C28 H28 P2 -","- C112 H112 P8 -","4","1","KU3144","Bendzińska-Berus, Wioletta; Kaik-King, Magdalena; King, Gary; Rychlewska, Urszula","An enantiomerically pure P-stereogenic bisphosphine: (<i>S</i>,<i>S</i>)-ethylenebis[(2-methylphenyl)phenylphosphine] (<i>o</i>-tolyl-DiPAMP)","Acta Crystallographica Section C","2014","70","12","1174","1177","10.1107/S205322961402542X","","","1.54178","CuKα","","0.0344","0.0337","","","0.0902","0.0909","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019743","6.335","0.004","13.399","0.005","16.613","0.005","90","","90","","90","","1410.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dendocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-5,5a,6,7,8,9,9a,9b-Octahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-3(1H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","DT3028","Paz Robles, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","Dendocarbin A: a sesquiterpene lactone from <i>Drimys winteri</i>","Acta Crystallographica Section C","2014","70","11","1007","1010","10.1107/S205322961402155X","","","0.71069","MoKα","","0.1063","0.0554","","","0.1085","0.1327","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019744","19.392","0.004","7.5431","0.0015","22.754","0.005","90","","90","","90","","3328.4","1.2","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-\ 4-yl]diazenyl}phenyl)ethanone","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.0698","0.0409","","","0.0971","0.1051","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019745","14.076","0.005","30.549","0.012","7.539","0.003","90","","90","","90","","3242","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(<i>E</i>)-1-(4-Chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","","- C17 H14 Cl N5 O2 -","- C17 H14 Cl N5 O2 -","- C136 H112 Cl8 N40 O16 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.065","0.0382","","","0.086","0.093","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019746","5.3065","0.0008","8.446","0.0014","12.1459","0.0019","91.81","0.013","92.977","0.013","94.585","0.013","541.54","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone dimethyl sulfoxide monosolvate","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C18 H24 N4 O6 S2 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.094","0.0776","","","0.2173","0.2319","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019747","7.1268","0.0014","7.5481","0.0013","12.774","0.002","89.486","0.013","75.62","0.014","65.679","0.013","603.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone <i>N</i>,<i>N</i>-dimethylacetamide monosolvate","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C22 H30 N6 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0837","0.0499","","","0.1109","0.1229","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019748","7.1928","0.0006","8.1316","0.0007","13.6009","0.0011","93.219","0.007","99.114","0.007","108.395","0.006","740.53","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-dimethylamino-6-methylpyrimidin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate","","- C14 H18 N6 O2 -","- C14 H18 N6 O2 -","- C28 H36 N12 O4 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.046","0.0361","","","0.0961","0.1004","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019749","7.659","0.0006","10.2703","0.0008","13.9231","0.0011","105.134","0.006","104.921","0.006","98.267","0.006","995.08","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-dimethylamino-1,3,5-triazin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C16 H25 N9 O3 -","- C16 H25 N9 O3 -","- C32 H50 N18 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0502","0.044","","","0.1217","0.126","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019750","4.1389","0.0004","4.1389","0.0004","7.1055","0.0011","90","","90","","90","","121.72","0.03","293","2","293","2","","","","","","","","3","P -4 m 2","P -4 -2","115","","dilithium diboron carbide","","- C B2 Li2 -","- C B2 Li2 -","- C2 B4 Li4 -","2","0.25","FN3184","Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut","A new tetragonal structure type for Li~2~B~2~C","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025510","","","0.71073","MoKα","","0.0236","0.0172","","","0.0466","0.057","","","","","","1.444","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019751","15.1034","0.0011","23.9203","0.0017","9.5545","0.0007","90","","111.666","0.005","90","","3208","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)naphthalene-1,4-dicarboxamide-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~4~-phthalato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2'^)copper(II)]","","- C38 H24 Cu2 N4 O10 -","- C38 H24 Cu2 N4 O10 -","- C152 H96 Cu8 N16 O40 -","4","0.5","WQ3081","Lin, Rong-Guang; Wang, Yu-Lin; Liang, Qian","Structure and magnetic properties of a mixed-ligand copper(II) complex","Acta Crystallographica Section C","2015","71","1","","","10.1107/S205322961402556X","","","0.71073","MoKα","","0.0476","0.0359","","","0.0826","0.0882","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019752","12.7421","0.0011","16.6345","0.0014","20.278","0.003","90","","90","","90","","4298.1","0.8","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate","","- C22 H20 B F6 Fe N2 P -","- C22 H20 B F6 Fe N2 P -","- C176 H160 B8 F48 Fe8 N16 P8 -","8","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0592","0.0349","","","0.0762","0.086","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019753","7.2461","0.0013","8.849","0.002","17.9","0.003","96.99","0.02","98.218","0.018","98.624","0.017","1111.1","0.4","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl)(<i>tert</i>-butylamino)(ferrocenyl)boronium bromide","","- C24 H27 B Br Fe N3 -","- C24 H27 B Br Fe N3 -","- C48 H54 B2 Br2 Fe2 N6 -","2","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0714","0.043","","","0.0897","0.0988","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019754","13.0348","0.0018","23.772","0.002","17.7107","0.0015","90","","92.499","0.009","90","","5482.7","1","146","2","146","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridyl)(ferrocenyl)(4-methoxyphenylamino)boronium hexafluoridophosphate acetonitrile hemisolvate","","- C28 H26.5 B F6 Fe N3.5 O P -","- C28 H26.5 B F6 Fe N3.5 O P -","- C224 H212 B8 F48 Fe8 N28 O8 P8 -","8","2","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0722","0.0424","","","0.0828","0.0936","","","","","","1.018","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019755","9.881","0.003","8.5193","0.0017","20.81","0.004","90","","91.19","0.02","90","","1751.4","0.7","146","2","146","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,1'-Bis[(2,2'-bipyridyl)(cyanomethyl)boronium]ferrocene bis(hexafluoridophosphate)","","- C34 H28 B2 F12 Fe N6 P2 -","- C34 H28 B2 F12 Fe N6 P2 -","- C68 H56 B4 F24 Fe2 N12 P4 -","2","0.5","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0746","0.0383","","","0.0702","0.0814","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019756","7.0133","0.0005","17.8399","0.0013","25.0044","0.0018","90","","90","","90","","3128.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)","","- C16 H22 Br0.34 Cl0.66 N O3 -","- C16 H22 Br0.3432 Cl0.6568 N O3 -","- C128 H176 Br2.7456 Cl5.2544 N8 O24 -","8","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0277","0.0246","","","0.0641","0.0662","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019757","7.128","0.0001","21.3335","0.0005","10.5243","0.0002","90","","95.118","0.001","90","","1594","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0433","0.042","","","0.1327","0.1338","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019758","10.5046","0.0004","11.1534","0.0004","17.5193","0.0006","90","","90","","90","","2052.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one tetrachloridoaurate","","- C16 H22 Au Cl4 N O3 -","- C16 H22 Au Cl4 N O3 -","- C64 H88 Au4 Cl16 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0403","0.0393","","","0.0953","0.0959","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019759","10.6159","0.0004","7.106","0.0003","17.6348","0.0006","90","","105.331","0.0018","90","","1282.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{1-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)carbonyl]ethyl}ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.041","0.0386","","","0.1047","0.1068","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019760","15.8084","0.0003","11.4143","0.0002","11.6289","0.0002","90","","107.42","0.0009","90","","2002.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hydroxonium 1-(benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one dichloride","","- C16 H29 Cl2 N O6 -","- C16 H29 Cl2 N O6 -","- C64 H116 Cl8 N4 O24 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0504","0.0484","","","0.1491","0.1512","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019761","7.6971","0.0011","12.4656","0.0018","15.915","0.002","90","","102.171","0.002","90","","1492.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II)","","- C12 H12 Cl4 Co N2 -","- C12 H12 Cl4 Co N2 -","- C48 H48 Cl16 Co4 N8 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0224","0.022","","","0.049","0.0491","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019762","7.7074","0.0007","12.468","0.0011","15.9344","0.0014","90","","102.173","0.001","90","","1496.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II)","","- C12 H12 Cl4 N2 Zn -","- C12 H12 Cl4 N2 Zn -","- C48 H48 Cl16 N8 Zn4 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0274","0.026","","","0.0629","0.0637","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019763","11.0094","0.0004","12.7915","0.0005","14.5418","0.0005","85.567","0.002","83.815","0.002","69.15","0.002","1900.96","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (4<i>RS</i>)-4-(4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","2","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0516","0.0397","","","0.1083","0.1178","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019764","18.1455","0.0006","7.3171","0.0002","25.0493","0.0008","90","","102.008","0.001","90","","3253.08","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate 0.105-hydrate","","- C15 H18.21 N2 O3.105 S -","- C15 H18.21 N2 O3.105 S -","- C120 H145.68 N16 O24.84 S8 -","8","1","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0431","0.0358","","","0.0958","0.1014","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019765","12.238","0.002","17.073","0.003","12.782","0.003","90","","90.95","0.03","90","","2670.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","","- C26 H20 Cd N9 P -","- C26 H20 Cd N9 P -","- C104 H80 Cd4 N36 P4 -","4","1","SK3571","Li, Qiang","A three-dimensional anionic metal‒dicyanamide network in poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027090","","","0.71073","MoKα","","0.0398","0.0324","","","0.0775","0.0818","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019766","13.4478","0.0002","7.9458","0.0001","19.7535","0.0003","90","","90","","90","","2110.73","0.05","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenylindolin-2-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.046","0.0416","","","0.1161","0.1214","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019767","3.9581","0.0001","21.574","0.0007","13.2045","0.0004","90","","95.287","0.002","90","","1122.76","0.06","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-phenylindolin-2-one","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C56 H40 Br4 N4 O4 -","4","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.04","0.0282","","","0.0629","0.067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019768","8.1164","0.0003","13.3844","0.0005","22.7824","0.0008","90","","90","","90","","2474.92","0.16","90","2","90","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","5-Iodo-1-phenylindolin-2-one","","- C14 H10 I N O -","- C14 H10 I N O -","- C112 H80 I8 N8 O8 -","8","","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.039","0.0297","","","0.0678","0.0719","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019770","13.938","0.005","7.941","0.003","5.056","0.0017","90","","90.817","0.004","90","","559.5","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","taikanite-type","Tricalcium zinc germanium dioxide dodecaoxidotetragermanate","","- Ca3 Ge5 O14 Zn -","- Ca3 Ge5 O14 Zn -","- Ca6 Ge10 O28 Zn2 -","2","0.5","FP3002","Redhammer, Günther J.","Ca~3~ZnGeO~2~[Ge~4~O~12~]: a Ca‒Zn germanate related to the mineral taikanite","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027466","","","0.71073","MoKα","","0.0301","0.0297","","","","0.076","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019771","8.774","0.002","17.046","0.003","14.168","0.003","90","","102.04","0.03","90","","2072.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethoprim‒glutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒piperidine-2,6-dione (1/1)","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0552","0.0411","","","0.0995","0.1044","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019772","7.361","0.002","12.032","0.002","14.132","0.003","109.59","0.03","92.48","0.03","99.14","0.03","1157.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim‒3,3-dimethylglutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒4,4-dimethylpiperidine-2,6-dione (1/1)","","- C21 H29 N5 O5 -","- C21 H29 N5 O5 -","- C42 H58 N10 O10 -","2","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0495","0.0375","","","0.1018","0.1064","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019774","26.173","0.003","6.3586","0.0007","8.1089","0.0008","90","","90","","90","","1349.5","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-\ κ^2^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V)","","- C12 H10 N3 O7 V -","- C12 H10 N3 O7 V -","- C48 H40 N12 O28 V4 -","4","0.5","WQ3079","Hejrani-Dalir, Ali; Tabatabaee, Masumeh; Sheibani, Ali","Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) and its conversion to nanostructured V~2~O~5~","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027983","","","0.71073","MoKα","","0.0374","0.0347","","","0.082","0.0832","","","","","","1.178","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019775","9.002","0.002","16.553","0.004","7.8865","0.0018","90","","90.212","0.004","90","","1175.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~4~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-3-yl]butanedioato}zinc(II)]","","- C12 H9 N3 O4 Zn -","- C12 H9 N3 O4 Zn -","- C48 H36 N12 O16 Zn4 -","4","1","YO3002","Cai, Hua; Guo, Ying; Li, Jian-Gang","A two-dimensional zinc(II) coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028198","","","0.71073","MoKα","","0.0698","0.0423","","","0.0826","0.092","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019776","9.1376","0.0008","12.1229","0.0011","13.4135","0.0012","86.649","0.002","87.233","0.002","70.502","0.001","1397.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] dihydrate]","","- C26 H20 Bi Cu N5 O14 -","- C26 H20 Bi Cu N5 O14 -","- C52 H40 Bi2 Cu2 N10 O28 -","2","1","UK3108","Yue, Zi-Long; Feng, Yu-Quan; Ng, Seik Weng","A linear heterometallic bismuth‒copper coordination polymer containing two types of organic ligands","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028125","","","0.71073","MoKα","","0.0661","0.0472","","","0.11","0.1194","","","","","","1.01","","","","has coordinates,has Fobs","211403","2020-10-21","18:00:00",""
"2019777","7.4519","0.0001","7.4519","0.0001","31.8705","0.0007","90","","90","","120","","1532.69","0.04","173","2","173","2","","","","","","","","4","P 61","P 61","169","","4-Amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C66 H78 N18 O6 -","6","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.033","","","","0.0832","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019778","11.2061","0.0014","7.4638","0.0008","19.044","0.002","90","","106.655","0.004","90","","1526","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Methyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0393","","","","0.1084","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019779","13.427","0.002","10.1086","0.0014","12.2801","0.0018","90","","101.69","0.005","90","","1632.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0397","","","","0.1145","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019780","7.3857","0.0002","9.2159","0.0003","13.7494","0.0004","85.898","0.001","84.499","0.001","85.21","0.001","926.4","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]cyclohex-1-enecarboxylate","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C40 H50 N6 O6 -","2","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.039","","","","0.1067","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019781","8.4851","0.0007","12.4253","0.001","18.0314","0.0018","90","","92.282","0.003","90","","1899.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]-3-phenylacrylate","","- C22 H23 N3 O3 -","- C22 H23 N3 O3 -","- C88 H92 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0374","","","","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019782","6.9996","0.0008","12.335","0.0016","15.8345","0.0019","90","","99.666","0.004","90","","1347.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0359","","","","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019783","32.7563","0.001","6.9258","0.0002","16.4002","0.0005","90","","106.032","0.001","90","","3575.9","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]methyl}benzoate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C160 H152 N24 O24 -","8","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0402","","","","0.1103","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019784","8.0015","0.0016","9.5135","0.0019","9.846","0.002","96.9","0.03","98.16","0.03","96.51","0.03","730","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis(trichlorido{1-[(1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^2^)methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II))","","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","1","0.5","LF3001","Li, Qiang; Wang, Hui-Ting; Zhou, Lin","A new three-dimensional Cd^II^ supramolecular framework constructed from the 1-[(1<i>H</i>-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028009","","","0.71073","MoKα","","0.0319","0.0279","","","0.0843","0.0863","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019785","14.2226","0.0012","19.0094","0.0018","7.5203","0.0005","90","","94.727","0.007","90","","2026.3","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,3,5-Triiodo-2,4,6-trifluorobenzene‒pyridine <i>N</i>-oxide‒water (1/2/1)","","- C16 H12 F3 I3 N2 O3 -","- C16 H12 F3 I3 N2 O3 -","- C64 H48 F12 I12 N8 O12 -","4","0.5","SK3575","Raffo, Pablo A.; Cukiernik, Fabio D.; Baggio, Ricardo F.","The three-component cocrystal 1,3,5-trifluoro-2,4,6-triiodobenzene‒pyridineN-oxide‒water (1/2/1) built up by halogen bonds, hydrogen bonds and π‒π interactions","Acta Crystallographica Section C Structural Chemistry","2015","71","2","","","10.1107/S205322961402796X","","","0.71069","MoKα","","0.05","0.0354","","","0.0825","0.0962","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019786","14.1037","0.0007","7.4955","0.0004","14.5827","0.0008","90","","107.053","0.002","90","","1473.82","0.14","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichlorido{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}manganese(II)","","- C12 H11 Cl2 Mn N5 O -","- C12 H11 Cl2 Mn N5 O -","- C48 H44 Cl8 Mn4 N20 O4 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0305","0.0277","","","0.0652","0.0669","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019787","12.379","0.0007","19.2445","0.0013","9.8987","0.0006","90","","90","","90","","2358.1","0.3","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>]manganese(II)","","- C24 H20 Mn N10 O2 -","- C24 H20 Mn N10 O2 -","- C96 H80 Mn4 N40 O8 -","4","","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0713","0.041","","","0.0826","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019788","10.4215","0.0004","10.5323","0.0004","22.2477","0.001","90","","90","","90","","2441.96","0.17","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>'){μ~3~-<i>N</i>'-[1-(pyrazin-2-yl-κ^2^<i>N</i>^1^:<i>N</i>^4^)ethylidene]nicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^}cadmium(II)] chloroform disolvate]","","- C16 H15 Cd Cl6 N5 O3 -","- C16 H15 Cd Cl6 N5 O3 -","- C64 H60 Cd4 Cl24 N20 O12 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0239","0.0221","","","0.0524","0.0534","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019789","14.427","0.0003","15.635","0.0003","6.442","0.0001","90","","115.789","0.002","90","","1308.37","0.05","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^-[diaquamanganese(II)]-bis(μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)],","","- C24 H22 Mn2 N4 O12 -","- C24 H22 Mn2 N4 O12 -","- C48 H44 Mn4 N8 O24 -","2","0.25","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","0.71073","MoKα","","0.0246","0.0235","","","0.0647","0.0655","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019790","6.7148","0.0002","10.79","0.0003","11.762","0.0005","69.565","0.003","75.167","0.003","81.404","0.003","770.25","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquacopper(II)]-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-copper(II)-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-[aquacopper(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^] tetrahydrate]","","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","1","0.5","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","1.54178","CuKα","","0.0314","0.0302","","","0.0854","0.0864","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019791","12.4549","0.0003","15.5837","0.0004","21.1975","0.0005","90","","94.5206","0.0011","90","","4101.5","0.17","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)(2-{[3,5-bis(4-methoxyphenyl)-2<i>H</i>-\ pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-\ 3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-\ κ<i>N</i>^1^)tricarbonylrhenium(I)‒hexane‒acetonitrile (2/1/2)","","- C46 H43 N5 O7 Re -","- C46 H43 N5 O7 Re -","- C184 H172 N20 O28 Re4 -","4","1","OV3057","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0426","0.0399","","","0.1031","0.1058","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019792","10.7054","0.0004","10.933","0.0004","16.7416","0.0007","78.195","0.002","81.029","0.002","75.883","0.002","1848.46","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-(2-{[3,5-Bis(4-methoxyphenyl)-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-κ<i>N</i>^1^)tricarbonyl(dimethyl sulfoxide-κ<i>O</i>)rhenium(I),","","- C41 H36 N3 O8 Re S -","- C41 H36 N3 O8 Re S -","- C82 H72 N6 O16 Re2 S2 -","2","1","","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0318","0.0316","","","0.0883","0.0885","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019800","9.295","0.003","13.713","0.005","11.81","0.004","90","","101.638","0.005","90","","1474.4","0.9","100","2","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 2-octynoate","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.1562","0.0604","","","0.1241","0.1583","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019801","11.9391","0.0011","11.3093","0.001","11.7865","0.0011","90","","118.531","0.002","90","","1398.2","0.2","100.1","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 3-phenylpropynoate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.0465","0.0363","","","0.0872","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019802","13.87","0.003","19.023","0.004","19.238","0.004","90","","90","","90","","5075.9","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","","- C24 H15 N2 O10 Zn2 -","- C24 H13 N2 O10 Zn2 -","- C192 H104 N16 O80 Zn16 -","8","1","FA3357","Wen, Meng; Xiao, Zu-Ping; Wang, Chun-Ya; Huang, Xi-He","A three-dimensional coordination polymer based on the Zn~4~(μ~3~-OH)~2~ unit: poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000467","","","0.71073","MoKα","","0.064","0.0595","","","0.1092","0.1112","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019803","15.104","0.001","15.1212","0.001","9.2948","0.0006","90","","90","","90","","2122.8","0.2","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Cytosine","4-Aminopyrimidin-2(1<i>H</i>)-one","","- C4 H5 N3 O -","- C4 H5 N3 O -","- C64 H80 N48 O16 -","16","2","CU3072","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","The first polymorph in the family of nucleobases: a second form of cytosine","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000492","","","0.71073","MoKα","","0.056","0.0515","","","0.1328","0.1362","","","","","","1.203","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019804","7.8705","0.0004","4.9984","0.0003","30.9367","0.0017","90","","90.343","0.005","90","","1217.03","0.12","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (2,4-dichlorophenoxy)acetate trihydrate","Poly[[aqua[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^3^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:]lithium(I)] dihydrate]","","- C8 H11 Cl2 Li O6 -","- C8 H11 Cl2 Li O6 -","- C32 H44 Cl8 Li4 O24 -","4","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0383","0.0325","","","0.0723","0.0754","","","","","","1.071","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2019805","37.254","0.002","4.3589","0.0003","13.2378","0.001","90","","103.231","0.007","90","","2092.6","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","rubidium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>Cl</i>]dirubidium(I)]","","- C8 H6 Cl2 O3.5 Rb -","- C8 H6 Cl2 O3.5 Rb -","- C64 H48 Cl16 O28 Rb8 -","8","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0331","0.0274","","","0.0618","0.0646","","","","","","1.086","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2019806","8.9877","0.0004","7.3441","0.0002","32.825","0.0013","90","","90","","90","","2166.67","0.14","200","1","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","caesium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2^:<i>Cl</i>]-dicaesium(I)]","","- C8 H6 Cl2 Cs O3.5 -","- C8 H6 Cl2 Cs O3.5 -","- C64 H48 Cl16 Cs8 O28 -","8","2","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0326","0.0293","","","0.0571","0.0586","","","","","","1.14","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019816","7.3171","0.0013","9.8692","0.0018","10.2416","0.0018","68.401","0.003","84.964","0.003","70.617","0.003","648.2","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","","- C13 H10 Cu N4 O3 -","- C13 H10 Cu N4 O3 -","- C26 H20 Cu2 N8 O6 -","2","1","LG3154","Wang, Jiang-Yun","Structural and spectropscopic studies of a three-dimensional hydrogen-bonded copper(II) complex: aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","Acta Crystallographica Section C Structural Chemistry","2015","71","2","165","","10.1107/S2053229615001692","","","0.71073","MoKα","","0.0411","0.032","","","0.0762","0.0811","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019817","6.2897","0.0001","17.0161","0.0003","15.3522","0.0003","90","","90","","90","","1643.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isocyano-4-methylphenyl diphenylacetate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","CU3073","Boyarskaya, Dina; Avdontceva, Margarita; Chulkova, Tatiana","Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide","Acta Crystallographica Section C Structural Chemistry","2015","71","2","155","","10.1107/S2053229615001588","","","1.54184","CuKα","","0.0485","0.0466","","","0.1143","0.1157","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019818","13.4605","0.00018","14.6661","0.0002","16.2419","0.00019","90","","91.917","0.0011","90","","3204.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyltriphenylphosphonium bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobaltate(1-)","","- C31 H22 Cl4 Co P S4 -","- C31 H22 Cl4 Co P S4 -","- C124 H88 Cl16 Co4 P4 S16 -","4","1","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.0766","0.0409","","","0.083","0.0956","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019819","13.94737","0.00014","11.53304","0.00011","16.4799","0.00017","90","","90.6983","0.0009","90","","2650.69","0.05","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(methyltriphenylphosphonium) bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(2-) dimethyl sulfoxide disolvate","","- C54 H52 Cl4 Cu O2 P2 S6 -","- C54 H52 Cl4 Cu O2 P2 S6 -","- C108 H104 Cl8 Cu2 O4 P4 S12 -","2","0.5","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.1146","0.051","","","0.0998","0.1193","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019820","8.344","0.002","9.859","0.002","11.273","0.003","90","","91.493","0.004","90","","927","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^)copper(II)]","","- C16 H18 Cu N4 O8 -","- C16 H18 Cu N4 O8 -","- C32 H36 Cu2 N8 O16 -","2","0.5","LF3006","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Lian, Ping; Luo, Xu-Zhong","A two-dimensional copper(II) coordination polymer based on 2-propyl-1H-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C Structural Chemistry","2015","71","2","152","","10.1107/S2053229615000546","","","0.71073","MoKα","","0.0302","0.0277","","","0.0754","0.077","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019840","20.25","0.0014","12.0868","0.0008","9.0389","0.0005","90","","90.337","0.001","90","","2212.3","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>)ferrate(III)","","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C64 H48 Br8 Cs4 Fe4 N24 O8 S8 -","4","1","KY3069","Powell, Robyn Elizabeth; Schwalbe, Carl H.; Tizzard, Graham J.; Koningsbruggen, Petra J. van","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ3O,N,S)ferrate(III): supramolecular arrangement of low-spin FeIIIcomplex anions mediated by Cs+cations","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001928","","","0.71075","MoKα","","0.043","0.0326","","","0.0812","0.0859","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019841","8.4147","0.0003","9.1827","0.0003","15.2673","0.0005","87.174","0.003","89.87","0.003","83.631","0.003","1170.99","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(Pyridin-2-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-2-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0648","0.0451","","","0.101","0.1141","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019842","23.24","0.004","9.4869","0.0015","10.7258","0.0017","90","","105.82","0.002","90","","2275.2","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(Pyridin-3-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-3-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0709","0.0596","","","0.1339","0.1388","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019843","18.035","0.002","5.9874","0.0007","16.236","0.002","90","","105.133","0.003","90","","1692.4","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Acetophenone <i>O</i>-diphenylphosphoryl oxime","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","LF3007","Majer, Sean H.; Tanski, Joseph M.","Synthesis and crystal structure of a novel prochiral ketoimine: (E)-acetophenoneO-diphenylphosphoryl oxime","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615002351","","","1.54178","CuKα","","0.0343","0.0339","","","0.0909","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019865","14.7029","0.0012","16.6256","0.0014","18.8428","0.0015","90","","90","","90","","4606","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7,10-Bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","","- C39 H48 Cl6 O17 -","- C39 H48 Cl6 O17 -","- C156 H192 Cl24 O68 -","4","1","QS3041","Wang, Li; Li, Ya-jun; Li, Zheng-wei","Towards validating new enzymatic routes for synthetic conversion: 7,10-bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229614027399","","","0.71073","MoKα","","0.0895","0.0527","","","0.0998","0.1152","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019866","21.5898","0.0009","12.3292","0.0003","43.403","0.002","90","","104.129","0.005","90","","11203.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(tri-<i>o</i>-tolylphosphite-κ<i>P</i>)nickel(II)","","- C63 H63 Ni O9 P3 -","- C63 H63 Ni O9 P3 -","- C504 H504 Ni8 O72 P24 -","8","1","FG3327","Kampmann, Sven S.; Skelton, Brian W.; Wild, Duncan A.; Koutsantonis, George A.; Stewart, Scott G.","Tris(tri-<i>o</i>-tolyl phosphite-κ<i>P</i>)nickel: a coordinatively unsaturated nickel(0) complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615001680","","","1.54178","CuKα","","0.1144","0.0994","","","0.2454","0.2586","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019867","15.7293","0.0008","15.7293","0.0008","27.901","0.0014","90","","90","","90","","6903","0.6","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","Dodeca-μ~2~-acetato-κ^24^-<i>O</i>:<i>O</i>'-tetraaquatetra-μ~2~-nitro-κ^8^<i>O</i>:<i>O</i>'-octa-μ~3~-oxido-tetra-μ~2~-oxido-tetramanganese(IV)octamanganese(III) nitromethane tetrasolvate","","- C28 H56 Mn12 N8 O60 -","- C28 H56 Mn12 N8 O60 -","- C112 H224 Mn48 N32 O240 -","4","","FA3358","Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A.","[Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002326","","","0.71073","MoKα","","0.0348","0.0255","","","0.0635","0.0662","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019868","12.8008","0.0015","9.5323","0.0011","22.906","0.003","90","","92.817","0.003","90","","2791.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-{4-[(9,9-Dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","","- C35 H31 N Si -","- C35 H31 N Si -","- C140 H124 N4 Si4 -","4","1","LY3008","Lee, Ah-Rang; Han, Won-Sik","Incorporating two different chromophores onto a silicon atom: the crystal structure and photophysical properties of 9-{4-[(9,9-dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002624","","","0.71073","MoKα","","0.2061","0.0586","","","0.1412","0.2215","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019869","11.2986","0.0003","4.8997","0.0001","21.6179","0.0005","90","","102.636","0.001","90","","1167.78","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyloxycarbonyl-<i>L</i>-valyl-<i>L</i>-tyrosine methyl ester","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C46 H56 N4 O12 -","2","1","YF3079","Nicholas, Sumesh","The peptide NCbz-Val-Tyr-OMe and aromatic π‒π interactions","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002739","","","0.71073","MoKα","","0.046","0.0355","","","0.0897","0.0985","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019870","6.8001","0.0001","8.8015","0.0002","17.4805","0.0003","90","","90","","90","","1046.23","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","captopril","(2<i>S</i>)-1-[(2<i>S</i>)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0195","0.0195","","","0.052","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019871","6.6678","0.0004","11.068","0.0006","14.4219","0.0008","90","","91.925","0.002","90","","1063.72","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","captopril disulfide","1,1'-{Disulfanediylbis[(2<i>S</i>)-2-methyl-1-oxopropane-3,1-diyl]}bis-<i>L</i>-proline","","- C18 H28 N2 O6 S2 -","- C18 H28 N2 O6 S2 -","- C36 H56 N4 O12 S4 -","2","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0414","0.0411","","","0.1051","0.1054","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019872","17.9322","0.0004","10.4961","0.0003","13.2006","0.0004","90","","95.896","0.002","90","","2471.45","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cyclohexyl-5-ethylbarbituric acid form I","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","0.71073","MoKα","","0.0874","0.0611","","","0.1108","0.1246","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019873","12.5071","0.0007","21.0741","0.0009","10.331","0.0005","90","","116.989","0.005","90","","2426.5","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Cyclohexyl-5-ethylbarbituric acid form II","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","1","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","1.5418","CuKα","","0.0388","0.0345","","","0.0961","0.0988","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019874","10.193","0.003","23.924","0.002","7.284","0.003","90","","90","","90","","1776.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate]","","","- C4 H16 Mg2 N18 O7 -","- C4 H16 Mg2 N18 O7 -","- C16 H64 Mg8 N72 O28 -","4","1","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0599","0.0468","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019875","7.868","0.002","8.268","0.003","8.608","0.002","63.59","0.02","68.56","0.03","80.47","0.02","466.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[5-(pyrazin-2-yl)tetrazolate] hexaaquamagnesium(II)","","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","1","0.5","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0752","0.0516","","","","0.1124","","","","","","1.139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019876","13.9475","0.0005","8.1618","0.0003","40.9157","0.0014","90","","98.148","0.003","90","","4610.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒1-methylpyrrolidin-2-one (1/1/2)","","- C19 H30 N8 O3 S -","- C19 H30 N8 O3 S -","- C152 H240 N64 O24 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0486","0.0442","","","0.1183","0.1218","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019877","6.9996","0.0008","19.223","0.002","17.143","0.002","90","","90","","90","","2306.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/1)","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C72 H96 N48 O8 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.11","0.0522","","","0.0951","0.1113","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019878","8.2095","0.0007","12.8069","0.0011","14.3391","0.0013","89.914","0.007","76.23","0.007","83.418","0.007","1454.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylacetamide (2/1/2)","","- C22 H36 N10 O4 S2 -","- C22 H36 N10 O4 S2 -","- C44 H72 N20 O8 S4 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0481","0.0386","","","0.1007","0.1045","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019879","14.9786","0.0015","8.201","0.0011","22.568","0.002","90","","99.899","0.008","90","","2731","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylformamide (2/1/2)","","- C10 H16 N5 O2 S -","- C10 H16 N5 O2 S -","- C80 H128 N40 O16 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0582","0.0395","","","0.089","0.0953","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019880","8.268","0.0008","6.6","0.0004","25.043","0.002","90","","98.887","0.007","90","","1350.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Triaminopyrimidinium 6-methyl-2-thiouracilate‒6-methyl-2-thiouracil‒dimethylformamide (1/1/1)","","- C20 H33 N11 O4 S2 -","- C20 H33 N11 O4 S2 -","- C40 H66 N22 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0413","0.0367","","","0.0994","0.1019","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019881","7.3559","0.0006","30.068","0.002","8.1263","0.0007","90","","115.534","0.006","90","","1621.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethylformamide (1/1/1)","","- C12 H19 N7 O3 S -","- C12 H19 N7 O3 S -","- C48 H76 N28 O12 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.053","0.0468","","","0.1315","0.1367","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019882","8.252","0.0007","23.9532","0.0019","8.2133","0.0006","90","","102.496","0.006","90","","1585","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethyl sulfoxide (1/1/1)","","- C11 H18 N6 O3 S2 -","- C11 H18 N6 O3 S2 -","- C44 H72 N24 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0593","0.0471","","","0.1079","0.1131","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019883","15.0889","0.0004","5.2252","0.0001","33.5535","0.0009","90","","99.449","0.001","90","","2609.55","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trioctylphosphine oxide","Trioctylphosphine oxide","","- C24 H51 O P -","- C24 H51 O P -","- C96 H204 O4 P4 -","4","1","FN3187","Doan-Nguyen, Vicky V. T.; Carroll, Patrick J.; Murray, Christopher B.","Structure determination and modeling of monoclinic trioctylphosphine oxide","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615003009","","","0.71073","MoKα","","0.0477","0.0386","","","0.0968","0.1026","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019886","10.252","0.002","5.8362","0.0012","12.656","0.003","90","","106.29","0.03","90","","726.8","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C24 H22 Cl2 N4 O16 -","2","0.5","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0824","0.0785","","","0.2523","0.2578","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019887","20.904","0.004","11.953","0.002","12.018","0.002","90","","108.18","0.03","90","","2853","1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C96 H88 Cl8 N16 O64 -","8","1","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0618","0.057","","","0.1594","0.1648","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019888","10.516","0.003","14.796","0.005","10.62","0.003","90","","101.986","0.004","90","","1616.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetrahydroberberine","9,10-Dimethoxy-5,8,13,13a-tetrahydro-6<i>H</i>-benzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizine","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","KY3073","Pingali, Subramanya; Donahue, James P.; Payton-Stewart, Florastina","Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004076","","","0.71073","MoKα","","0.0732","0.05","","","0.1201","0.1322","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019889","6.6312","0.0014","9.717","0.002","12.837","0.003","76.136","0.004","89.521","0.004","81.162","0.004","793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[copper(II)-di-μ-chlorido-μ-proline-κ^2^<i>O</i>:<i>O</i>']","","- C5 H9 Cl2 Cu N O2 -","- C5 H9 Cl2 Cu N O2 -","- C20 H36 Cl8 Cu4 N4 O8 -","4","2","YF3081","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","Unexpected proline coordination in the copper chain polymer [Cu(μ-Cl)~2~(μ-<small>DL</small>-proline-κ^2^<i>O</i>:<i>O</i>')]^1^~{\ιnfty ~}","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500426X","","","0.71073","MoKα","","0.0575","0.0432","","","0.0845","0.0905","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019890","6.90225","0.00016","7.13","0.00016","25.4692","0.0005","90","","90","","90","","1253.42","0.05","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","SK3581","Cameron, T. Stanley; Grossert, J. Stuart; Maheux, Chad R.; Alarcon, Idralyn Q.; Copeland, Catherine R.; Linden, Anthony","Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004295","","","1.54184","CuKα","","0.0697","0.0667","","","0.1772","0.18","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019891","10.1149","0.0005","8.1266","0.0004","23.1765","0.0012","90","","91.889","0.001","90","","1904.07","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrapropylammonium carbamothioyl(carbamothioylamino)azanide","","- C14 H33 N5 S2 -","- C14 H33 N5 S2 -","- C56 H132 N20 S8 -","4","1","YO3004","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0475","0.0393","","","0.1061","0.1121","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019892","9.4151","0.0001","9.6835","0.0001","13.4189","0.0001","77.679","0.001","89.246","0.001","77.692","0.001","1167.1","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetrabutylammonium carbamothioyl(carbamothioylamino)azanide","","- C18 H41 N5 S2 -","- C18 H41 N5 S2 -","- C36 H82 N10 S4 -","2","1","","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0855","0.0582","","","0.1553","0.1755","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019893","10.8804","0.0003","11.4335","0.0003","12.5387","0.0003","66.319","0.002","78.224","0.002","69.035","0.002","1330.59","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","","- C26 H29 Cl N4 Ni O7 -","- C26 H29 Cl N4 Ni O7 -","- C52 H58 Cl2 N8 Ni2 O14 -","2","1","KY3074","Farkašová, Nela; Černák, Juraj; Falvello, Larry R.; Orendáč, Martin; Boča, Roman","Synthesis, crystal structure and magnetic properties of (acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003952","","","0.71073","MoKα","","0.0415","0.0357","","","0.0898","0.093","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019894","14.751","0.003","10.014","0.002","16.418","0.004","90","","106.13","0.03","90","","2329.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","","- C24 H24 Ag As N O4 P -","- C24 H24 Ag As N O4 P -","- C96 H96 Ag4 As4 N4 O16 P4 -","4","1","KU3147","Xiao, Zu-Ping; Wen, Meng; Wang, Chun-Ya; Huang, Xi-He","A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003885","","","0.71073","MoKα","","0.0491","0.0433","","","0.0773","0.0794","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019895","6.2201","0.0006","22.964","0.002","16.8626","0.0016","90","","92.879","0.008","90","","2405.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,10,12-Triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate","","- C23 H30 N6 O6 -","- C23 H30 N6 O6 -","- C92 H120 N24 O24 -","4","2","LG3159","Rivera, Augusto; Uribe, Juan Manuel; Ríos-Motta, Jaime; Osorio, Hector Jairo; Bolte, Michael","Evidence for stereoelectronic effects in the N—C—N group of 8,10,12-triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate from the protonation of aminal (2<i>R</i>,7<i>R</i>)-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane: X-ray and natural bond orbital analysis","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004829","","","0.71073","MoKα","","0.0611","0.044","","","0.0999","0.1065","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019896","13.3384","0.0019","13.3384","0.0019","24.957","0.005","90","","90","","120","","3845.3","1.1","293","2","293","2","","","","","","","","5","P 61","P 61","169","","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate]","","- C16 H15.5 Cd2 N12 O5.75 -","- C16 H14 Cd2 N12 O5.75 -","- C96 H84 Cd12 N72 O34.5 -","6","1","QS3042","Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang","A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004258","","","0.71073","MoKα","","0.0462","0.0456","","","0.1046","0.1051","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019897","4.1667","0.0004","12.6657","0.0011","20.3238","0.0018","90","","90","","90","","1072.57","0.17","120","","120","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","0.5","LG3157","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0665","0.054","","","0.1364","0.149","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019898","6.0184","0.0004","7.4714","0.0005","12.0911","0.0007","84.371","0.001","89.906","0.001","76.094","0.002","525.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.051","0.0416","","","0.114","0.1258","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019899","10.2625","0.0004","15.0558","0.0006","11.1755","0.0004","90","","113.032","0.001","90","","1589.08","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidin-2-amine‒glutaric acid (2/1)","","- C13 H18 N6 O4 -","- C13 H18 N6 O4 -","- C52 H72 N24 O16 -","4","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0642","0.0431","","","0.1114","0.1232","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019900","5.4848","0.0003","11.1944","0.0005","22.9123","0.0011","91.781","0.001","92.371","0.001","103.011","0.001","1368.32","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyrimidinium) glutarate‒glutaric acid (1/2)","","- C23 H34 N6 O12 -","- C23 H34 N6 O12 -","- C46 H68 N12 O24 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0488","0.0391","","","0.1025","0.1105","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019901","8.153","0.011","9.866","0.012","9.969","0.012","90.179","0.012","96.892","0.014","109.15","0.02","751.3","1.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","Tetrakis(1-methyl-2,3-dihydro-1<i>H</i>-imidazole-2-thione-κ<i>S</i>)gold(III) trichloride sesquihydrate","","- C16 H27 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","1","0.5","","Lynch, Will E.; Padgett, Clifford W.; Quillian, Brandon; Haddock, John","A square-planar hydrated cationic tetrakis(methimazole)gold(III) complex","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500474X","","","0.71075","MoKα","","","0.0413","","","","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019902","8.2892","0.001","8.3401","0.0007","11.0225","0.0013","90","","108.75","0.013","90","","721.58","0.15","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dendrocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-1-Hydroxy-6,6,9a-\ trimethyldodecahydronaphtho[1,2-<i>c</i>]furan-3-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","YP3088","Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004994","","","0.71073","MoKα","","0.0705","0.0429","","","0.0852","0.0969","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019903","8.5138","0.0011","10.5593","0.0013","12.2415","0.0015","66.699","0.002","74.443","0.002","85.953","0.002","972.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0337","0.0281","","","0.0654","0.0679","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019904","8.516","0.002","10.546","0.003","12.139","0.003","66.473","0.004","74.612","0.005","86.407","0.004","962.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0189","0.0183","","","0.0454","0.0458","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019905","8.5736","0.0019","10.436","0.002","11.995","0.003","66.935","0.004","74.909","0.004","86.261","0.004","952.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ μ-4,4'-(ethene-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0244","0.0225","","","0.0533","0.0542","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019906","8.0054","0.0016","9.972","0.002","11.451","0.002","80.91","0.03","71.17","0.03","81.95","0.03","850.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis({1-[(1<i>H</i>-benzoimidazol-2-yl-\ κ<i>N</i>^3^)methyl]-1<i>H</i>-tetrazole}zinc(II))-bis(μ~4~-pentane-1,5-\ dioato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^5^:<i>O</i>^5'^)] methanol disolvate]","","- C15 H18 N6 O5 Zn -","- C15 H18 N6 O5 Zn -","- C30 H36 N12 O10 Zn2 -","2","1","SK3580","Huang, Qiu-Ying; Zhang, Yu-Hong; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer based on mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005422","","","0.71073","MoKα","","0.0379","0.034","","","0.0738","0.0766","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019907","13.5177","0.0013","7.8151","0.0007","16.3815","0.0016","90","","105.988","0.001","90","","1663.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aquacalcium(II)]-μ-aqua-μ~3~-<i>DL</i>-proline-μ~2~-<i>DL</i>-proline]","","- C10 H22 Br2 Ca N2 O6 -","- C10 H22 Br2 Ca N2 O6 -","- C40 H88 Br8 Ca4 N8 O24 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0353","0.0277","","","0.0587","0.061","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019908","20.598","0.004","7.679","0.0014","9.7974","0.0017","90","","95.553","0.003","90","","1542.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)]","","- C10 H18 Br2 Ca N2 O4 -","- C10 H18 Br2 Ca N2 O4 -","- C40 H72 Br8 Ca4 N8 O16 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0482","0.0419","","","0.0947","0.0983","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019909","10.319","0.002","15.029","0.003","9.954","0.002","90","","100.02","0.03","90","","1520.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-(dimethylamino)pyridin-1-ium [di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-thiocyanato-κ<i>N</i>-cadmium(II)]]","","- C10 H11 Cd N5 S3 -","- C10 H11 Cd N5 S3 -","- C40 H44 Cd4 N20 S12 -","4","1","WQ3086","Wang, Hui-Ting; Wang, Xiao-Li","A new two-dimensional anionic cadmium(II) polymer constructed through thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005239","","","0.71073","MoKα","","0.0471","0.0326","","","0.0677","0.0738","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019913","16.703","0.0013","8.0515","0.0006","17.0919","0.0013","90","","90","","90","","2298.6","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.0757","0.0739","","","0.1663","0.1672","","","","","","1.308","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019914","11.2274","0.0014","13.3892","0.0017","16.849","0.002","91.475","0.002","92.646","0.002","106.889","0.002","2419","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","2","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.1187","0.0646","","","0.1306","0.1537","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019915","13.9402","0.0012","16.538","0.0015","14.3279","0.0013","90","","116.042","0.001","90","","2967.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-[(4-methoxybenzyl)oxy]-2-phenylacetate","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.059","0.0475","","","0.1239","0.1331","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019916","18.2606","0.0017","9.8976","0.0009","18.5364","0.0017","90","","99.31","0.002","90","","3306.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(anthracen-9-yl)methoxy]-2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-phenylacetate","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C152 H144 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.073","0.0474","","","0.1144","0.1285","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019917","5.5114","0.0011","8.3524","0.0017","13.106","0.003","90","","91.01","0.03","90","","603.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium zinc diarsenic heptaoxide","","- As2 O7 Sr Zn -","- As2 O7 Sr Zn -","- As8 O28 Sr4 Zn4 -","4","1","SK3577","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0408","0.0318","","","0.0711","0.0743","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019918","5.7343","0.0011","8.4722","0.0017","13.071","0.003","90","","91.12","0.03","90","","634.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium copper diarsenic heptaoxide","","- As2 Ba Cu O7 -","- As2 Ba Cu O7 -","- As8 Ba4 Cu4 O28 -","4","1","","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0265","0.0247","","","0.0588","0.0594","","","","","","1.204","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019919","19.1669","0.001","4.9965","0.0002","21.2416","0.0011","90","","101.946","0.004","90","","1990.2","0.17","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tribenzylphosphorothioic triamide","","- C21 H24 N3 P S -","- C21 H24 N3 P S -","- C84 H96 N12 P4 S4 -","4","1","FN3190","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Marandi, Pari; Dušek, Michal; Eigner, Václav","A new phosphorothioic triamide structure: P(S)[NHCH~2~C~6~H~5~]~3~","Acta Crystallographica Section C","2015","71","4","338","343","10.1107/S2053229615004453","","","1.54184","CuKα","","0.0617","0.0549","","","0.1315","0.1375","","","","","","1.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019921","3.805","0.0003","8.6739","0.0007","9.9138","0.0008","114.334","0.003","96.159","0.003","98.995","0.003","289.05","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium ethynedicarboxylate","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","1","0.5","EG3178","Chen, Xiaocui; Wang, Yue; Han, Shumin; Wei, Yongju; Wang, Ruiyao","4,4'-Bipyridine-1,1'-diium acetylenedicarboxylate: a new member of the (H~2~bipy)[Cu(ox)~2~] (bipy is 4,4'-bipyridine and ox is oxalate) family","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006336","","","0.71073","MoKα","","0.0438","0.0384","","","0.106","0.1102","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019922","11.0057","0.0002","7.64555","0.00014","18.6746","0.0003","90","","103.671","0.001","90","","1526.85","0.05","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,7-Dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C76 H60 F4 O12 -","4","1","YF3082","Mohri, Saki; Ohisa, Shinji; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Hydrogen bonding between aromatic H and F groups leading to a stripe structure withR- andS-columns: the crystal structure of (2,7-dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone and comparison with its 1-aroylnaphthalene analogues","Acta Crystallographica Section C Structural Chemistry","2015","71","5","","","10.1107/S2053229615005720","","","1.54187","CuKα","","0.0433","0.0363","","","0.0969","0.1005","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019923","20.656","0.004","17.666","0.004","31.305","0.006","90","","90","","90","","11423","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^2N,N')chromium(III) perchlorate","","- C10 H28 Br2 Cl Cr N4 O4 -","- C10 H28 Br2 Cl Cr N4 O4 -","- C240 H672 Br48 Cl24 Cr24 N96 O96 -","24","3","EG3179","Moon, Dohyun; Choi, Jong-Ha","Synthesis, crystal structure and spectroscopic properties of <i>trans</i>-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N,N</i>')chromium(III) perchlorate","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006026","","","0.62998","synchrotron","","0.0362","0.0308","","","0.0831","0.086","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019924","21.369","0.002","20.489","0.003","6.7444","0.001","90","","95.978","0.01","90","","2936.8","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyclohexylamino-3-methyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","0.71073","MoKα","","0.0959","0.0492","","","0.1001","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019925","7.3348","0.0003","7.3614","0.001","29.2335","0.0006","91.243","0.003","92.678","0.01","101.004","0.004","1547","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4-[(Cyclohexylamino)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","2","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","1.54184","CuKα","","0.0583","0.0458","","","0.1342","0.1389","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019926","7.1305","0.0005","12.5719","0.001","27.745","0.002","90","","90","","90","","2487.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methylpiperazine-1,4-diium bis(dihydrogen phosphate)","","- C5 H18 N2 O8 P2 -","- C5 H18 N2 O8 P2 -","- C40 H144 N16 O64 P16 -","8","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0656","0.041","","","0.0968","0.1106","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019927","17.3885","0.0007","10.4019","0.0005","8.3927","0.0003","90","","96.881","0.003","90","","1507.08","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","","- C10 H14 N2 O8 P2 -","- C10 H14 N2 O8 P2 -","- C40 H56 N8 O32 P8 -","4","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0677","0.0387","","","0.0876","0.1044","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019928","10.366","0.003","8.774","0.003","27.071","0.007","90","","101.48","0.01","90","","2412.9","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[diaquatris(μ~3~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)benzimidazole]tricadmium(II)","","- C48 H52 Cd3 N6 O14 -","- C48 H52 Cd3 N6 O14 -","- C96 H104 Cd6 N12 O28 -","2","0.5","LY3010","Yang, Xiu-Hong; Yang, Ming-Xing; Chen, Li-Juan; Guo, Jing; Lin, Shen","A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ~4~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1<i>H</i>-benzimidazole]tricadmium(II)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615005823","","","0.71073","MoKα","","0.044","0.0384","","","0.1036","0.1094","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019929","10.5197","0.0005","6.7783","0.0004","15.039","0.0007","90","","103.807","0.004","90","","1041.38","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-<i>O</i>-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-<i>D</i>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","","- C21 H26 F N3 O7 -","- C21 H26 F N3 O7 -","- C42 H52 F2 N6 O14 -","2","1","FP3005","Kruszynski, Rafal; Czestkowski, Wojciech","The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-<i>O</i>-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-<small>D</small>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","Acta Crystallographica Section C","2015","71","5","402","406","10.1107/S2053229615006646","","","0.71073","MoKα","","0.0284","0.0281","","","0.0706","0.0708","","","","","","1.084","","","","has coordinates,has Fobs","136355","2020-10-21","18:00:00",""
"2019930","6.3846","0.0018","3.6024","0.0009","14.387","0.004","90","","110.636","0.01","90","","309.67","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0264","0.0259","","","0.0778","0.0786","","","","","","1.084","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019931","6.4","0.005","3.614","0.002","14.453","0.012","90","","110.369","0.01","90","","313.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0523","0.0509","","","0.155","0.1574","","","","","","1.041","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019932","6.369","0.005","3.625","0.002","7.196","0.006","90","","110.37","0.04","90","","155.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","0.5","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0286","0.0281","","","0.0778","0.0782","","","","","","1.089","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019933","7.4376","0.0004","8.0321","0.0004","11.422","0.0006","80.98","0.004","87.261","0.004","64.488","0.005","608.05","0.06","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)","","- C11 H10 Cu N4 O5 -","- C11 H10 Cu N4 O5 -","- C22 H20 Cu2 N8 O10 -","2","1","FA3361","Yousefi, Zakieh; Eshtiagh-Hosseini, Hossein; Salimi, Alireza; Soleimannejad, Janet","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N,O</i>^6^)copper(II): X-ray and DFT calculated structure","Acta Crystallographica Section C","2015","71","5","386","393","10.1107/S2053229615005331","","","0.71073","MoKα","","0.0402","0.031","","","0.0707","0.0744","","","","","","1.06","","","","has coordinates,has Fobs","136357","2020-10-21","18:00:00",""
"2019934","11.162","0.002","9.1537","0.0018","16.348","0.005","90","","127.64","0.02","90","","1322.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ~2~-2,6-bis(imidazol-1-yl)pyridine-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(thiocyanato-κ<i>N</i>)manganese]","","- C24 H18 Mn N12 S2 -","- C24 H18 Mn N12 S2 -","- C48 H36 Mn2 N24 S4 -","2","0.5","FP3010","Wang, Yin-Lin; Long, Ling-Liang; Zhang, Jin-Fang","The crystal structure, luminescence and nitrobenzene-sensing properties of a two-dimensional Mn^II^ coordination polymer based on 2,6-bis(imidazol-1-yl)pyridine","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008529","","","0.71073","MoKα","","0.0401","0.0332","","","0.0786","0.0821","","","","","","1.049","","","","has coordinates,has Fobs","136358","2020-10-21","18:00:00",""
"2019935","12.2352","0.0008","26.1845","0.0018","4.0769","0.0003","90","","90","","90","","1306.13","0.16","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2<i>H</i>-1,3-dithiole-4,5-dicarboxylate","","- C13 H10 O6 S2 -","- C13 H10 O6 S2 -","- C52 H40 O24 S8 -","4","1","CU3076","Lissau, Henriette; Jevric, Martyn; Madsen, Anders Østergaard; Nielsen, Mogens Brøndsted","Synthesis of dithiafulvene‒quinone donor‒acceptor systems: isolation of a Michael adduct","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008578","","","0.71073","MoKα","","0.0514","0.0351","","","0.0708","0.077","","","","","","1.0601","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2019936","11.2934","0.0009","13.0083","0.001","15.8655","0.0013","91.083","0.004","110.514","0.004","99.713","0.004","2144","0.3","100","0.2","100.15","","","","","","","","","8","P -1","-P 1","2","","3-(Nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-\ 1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","","- C40.2 H45.4 B9 Cl4.4 N O3 P2 Rh -","- C38 H41 B9 N O3 P2 Rh -","- C76 H82 B18 N2 O6 P4 Rh2 -","2","1","FA3366","Rosair, Georgina M.; Scott, Greig; Welch, Alan J.","The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008724","","","0.71073","MoKα","","0.0445","0.0353","","","0.0858","0.089","","","","","","1.045","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019937","6.1299","0.0006","8.7431","0.0009","26.054","0.003","91.701","0.008","91.617","0.008","106.471","0.009","1337.5","0.3","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","Di-μ-aqua-bis[tetraaquasodium(I)] bis[4-(2,4,6-triisopropylbenzoyl)benzoate] dihydrate","","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","1","0.5","KU3156","Konieczny, Krzysztof; Bakowicz, Julia; Turowska-Tyrk, Ilona","The crystal and molecular structure of sodium 4-(2,4,6-triisopropylbenzoyl)benzoate in terms of the photochemical behaviour of the anion","Acta Crystallographica Section C","2015","71","5","410","414","10.1107/S2053229615008141","","","0.71073","MoKα","","0.1505","0.0787","","","0.1383","0.1629","","","","","","1.087","","","","has coordinates,has Fobs","136361","2020-10-21","18:00:00",""
"2019938","15.304","0.0005","12.9458","0.0004","26.6596","0.0009","90","","92.282","0.002","90","","5277.7","0.3","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","niclosamide","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide","","- C13 H8 Cl2 N2 O4 -","- C13 H8 Cl2 N2 O4 -","- C208 H128 Cl32 N32 O64 -","16","4","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.0499","0.0311","","","0.072","0.0763","","","","","","0.916","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019939","7.3426","0.0012","13.165","0.003","17.457","0.004","97.432","0.005","99.39","0.007","93.071","0.006","1646.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetone solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetone (1/1)","","- C16 H14 Cl2 N2 O5 -","- C16 H14 Cl2 N2 O5 -","- C64 H56 Cl8 N8 O20 -","4","2","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.1386","0.0525","","","0.0773","0.0953","","","","","","0.924","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019940","3.8301","0.0002","11.7321","0.0005","16.9034","0.0007","87.976","0.002","87.124","0.002","84.077","0.003","754.2","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetonitrile solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetonitrile (1/1)","","- C15 H11 Cl2 N3 O4 -","- C15 H11 Cl2 N3 O4 -","- C30 H22 Cl4 N6 O8 -","2","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","1.54178","CuKα","","0.1216","0.0818","","","0.2011","0.2281","","","","","","0.998","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019941","3.81342","0.00019","16.1428","0.0007","23.065","0.0011","90","","92.874","0.002","90","","1418.08","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","niclosamide monohydrate A","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide monohydrate","","- C13 H10 Cl2 N2 O5 -","- C13 H10 Cl2 N2 O5 -","- C52 H40 Cl8 N8 O20 -","4","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","powder diffraction","","1.5418","CuKα","","0.014","","","","","","","","1.42","","","","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019942","11.021","0.002","14.95","0.003","15.893","0.003","90","","113.47","0.03","90","","2402","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis[<i>P</i>,<i>P</i>,<i>P</i>',<i>P</i>'-tetraphenylditelluridoimidodiphosphinato-κ^2^<i>Te</i>]tellurium(II)","2,2,4,4,8,8,10,10-Octaphenyl-1λ^3^,5,6λ^4^,7λ^3^,11-pentatellura-3,9-diaza-2λ^5^,4λ^5^,8λ^5^,10λ^5^-tetraphosphaspiro[5.5]undeca-1,3,7,9-tetraene","","- C48 H40 N2 P4 Te5 -","- C48 H40 N2 P4 Te5 -","- C96 H80 N4 P8 Te10 -","2","0.5","YP3092","Chivers, Tristram; Ritch, Jamie S.","A square-planar tellurium(II) complex with <i>Te</i>,<i>Te</i>'-chelating ligands","Acta Crystallographica Section C","2015","71","5","407","409","10.1107/S2053229615007949","","","0.71073","MoKα","","0.0583","0.0342","","","0.0717","0.0825","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","136363","2020-10-21","18:00:00",""
"2019943","10.0579","0.0004","16.3027","0.0006","16.7074","0.0006","110.037","0.003","104.524","0.003","103.208","0.003","2337.83","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene-2κ<i>C</i>^2^]dicarbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)gold(0)iron(II)(<i>Au</i>—<i>Fe</i>) benzene trisolvate","","- C52 H59 Au Fe N2 O2 -","- C52 H59 Au Fe N2 O2 -","- C104 H118 Au2 Fe2 N4 O4 -","2","1","EG3184","Bechtoldt, Alexander; Lerner, Hans-Wolfram; Bolte, Michael","The first example of a two-coordinated Au^I^ atom bonded to an Fe^II^ atom and an N-heterocyclic carbene (NHC) ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500892X","","","0.71073","MoKα","","0.0356","0.0333","","","0.0862","0.0877","","","","","","1.08","","","","has coordinates,has Fobs","136364","2020-10-21","18:00:00",""
"2019944","9.3993","0.0003","4.8638","0.00013","13.2395","0.0004","90","","105.249","0.003","90","","583.95","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0363","0.0317","","","0.0782","0.082","","","","","","1.058","","","","has coordinates,has Fobs","136365","2020-10-21","18:00:00",""
"2019945","9.3382","0.00011","4.84411","0.00005","13.16136","0.00014","90","","105.077","0.0012","90","","574.865","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0326","0.0281","","","0.0675","0.0699","","","","","","1.068","","","","has coordinates","136365","2020-10-21","18:00:00",""
"2019946","6.223","0.001","7.178","0.002","19.732","0.005","90","","90","","90","","881.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Imino-λ^4^-sulfanylidene)[(4-methylphenyl)sulfanyl]amine","4-(4-Methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene","","- C7 H8 N2 S2 -","- C7 H8 N2 S2 -","- C28 H32 N8 S8 -","4","1","QS3045","Jones, Ray","The structure of the first stable monosubstituted sulfur diimide","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008645","","","1.54178","CuKα","","0.0407","0.0373","","","0.0626","0.0651","","","","","","0.996","","","","has coordinates,has Fobs","136366","2020-10-21","18:00:00",""
"2019947","7.2358","0.0001","10.5895","0.0002","17.2664","0.0003","90","","90.674","0.0011","90","","1322.92","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(<i>Z</i>)-2-((<i>E</i>)-1-{6-[1-({[Amino(sulfanidyl-κ<i>S</i>)methylidene]amino}imino-κ<i>N</i>)ethyl]pyridin-2-yl-κ<i>N</i>}ethylidene)-1-cyanohydrazinido-κ<i>N</i>^1^]copper(II)","","- C11 H11 Cu N7 S -","- C11 H11 Cu N7 S -","- C44 H44 Cu4 N28 S4 -","4","1","KU3154","Vieira, Rafael P.; Thompson, John R.; Beraldo, Heloisa; Storr, Tim","Partial conversion of thioamide into nitrile in a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone), a drug prototype for Alzheimer's disease","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500813X","","","1.54178","CuKα","","0.04","0.0351","","","0.0924","0.0963","","","","","","1.09","","","","has coordinates,has Fobs","136367","2020-10-21","18:00:00",""
"2019948","16.667","0.003","6.48","0.001","10.241","0.002","90","","90","","90","","1106.1","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl <i>N</i>-(2-acetylphenyl)oxalamate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","0.5","UK3109","Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I.","Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation","Acta Crystallographica Section C","2015","71","5","381","385","10.1107/S2053229615006725","","","0.71073","MoKα","","0.0368","0.0323","","","0.0802","0.0833","","","","","","1.046","","","","has coordinates,has Fobs","136368","2020-10-21","18:00:00",""
"2019949","28.4","0.006","9.038","0.0018","14.39","0.003","90","","90","","90","","3693.6","1.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)rhenium(I) methanol monosolvate","","- C17 H18 N3 O5 Re -","- C17 H18 N3 O5 Re -","- C136 H144 N24 O40 Re8 -","8","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0409","0.0275","","","","0.068","","","","","","1.023","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019950","7.4262","0.0011","9.0038","0.0012","13.078","0.0018","108.494","0.004","104.058","0.005","93.363","0.004","795.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)manganese(I)","","- C16 H14 Mn N3 O4 -","- C16 H14 Mn N3 O4 -","- C32 H28 Mn2 N6 O8 -","2","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0306","0.0274","","","","0.076","","","","","","1.058","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019952","14.566","0.0004","15.8567","0.0003","11.0472","0.0003","90","","104.872","0.003","90","","2466.08","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride monohydrate","","- C28 H30 Cl O4 P -","- C28 H30 Cl O4 P -","- C112 H120 Cl4 O16 P4 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0477","0.0427","","","0.1122","0.1166","","","","","","1.037","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019953","17.034","0.0007","5.0747","0.0002","22.6111","0.001","90","","110.917","0.005","90","","1825.75","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2,2',4,4',5,5'-Hexamethoxystilbene","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0605","0.0483","","","0.1389","0.147","","","","","","1.088","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019954","10.7971","0.0005","11.0286","0.0005","13.7963","0.0006","90","","94.45","0.0016","90","","1637.87","0.13","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Rubidium sodium decavanadate","Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate,","","- H21 Na O38 Rb4 V10 -","- H21 Na O38 Rb4 V10 -","- H42 Na2 O76 Rb8 V20 -","2","0.5","RA5004","Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V.","One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500844X","","","0.71073","MoKα","","0.0413","0.0317","","","0.0635","0.0645","","","","","","1.702","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019955","7.9867","0.0016","8.3516","0.0017","11.604","0.002","90.5","0.03","103.76","0.03","101.4","0.03","735.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-1-[(1<i>H</i>-benzimidazolyl)methyl]-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^}(μ~4~-butanedioato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~2~-butanedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dicadmium]","","- C13 H12 Cd N6 O4 -","- C13 H12 Cd N6 O4 -","- C26 H24 Cd2 N12 O8 -","2","1","","Huang, Qiu-Ying; Su, Ming-Yang; Meng, Xiang-Ru","A two-dimensional layered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009043","","","0.71073","MoKα","","0.0249","0.0231","","","0.0533","0.0543","","","","","","1.087","","","","has coordinates,has Fobs","136664","2020-10-21","18:00:00",""
"2019962","10.3202","0.0013","14.3929","0.0013","23.679","0.003","90","","99.157","0.004","90","","3472.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-3,3'-(diazenediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>']cadmium(II)] monohydrate]","","- C34 H38 Cd N10 O5 -","- C34 H38 Cd N10 O5 -","- C136 H152 Cd4 N40 O20 -","4","0.5","YF3085","Zhong, Ya-Qiang; Chen, Si-Chun; Zhang, Lei; Jing, Chu-Yue; Zhang, Kou-Lin","Synthesis, structure and properties of a new three-dimensional interpenetrated metal‒organic framework with 3,3'-azodibenzoic acid (H~2~azdc) and 1,4-bis(1<i>H</i>-imidazol-1-yl)butane (bimb): {[Cd(azdc)(bimb)~2~]·H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009869","","","0.71073","MoKα","","0.076","0.0644","","","0.1516","0.1561","","","","","","1.29","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019963","12.3059","0.0007","12.3943","0.0007","20.45","0.0012","94.385","0.001","97.292","0.001","101.074","0.001","3019.9","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,4-Bibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform semisolvate","(4-Hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone) chloroform hemisolvate","","- C38.5 H32.5 Cl1.5 O3 -","- C38.5 H32.5 Cl1.5 O3 -","- C154 H130 Cl6 O12 -","4","2","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","0.71073","MoKα","","0.0691","0.0455","","","0.1062","0.1157","","","","","","1.033","","","","has coordinates,has Fobs","137438","2020-10-21","18:00:00",""
"2019964","13.653","0.0003","12.0003","0.0002","19.1982","0.0004","90","","90","","90","","3145.43","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexanol","(4-Hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl)bis(phenylmethanone)","","- C40 H36 O5 -","- C40 H36 O5 -","- C160 H144 O20 -","4","1","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","1.54178","CuKα","","0.0362","0.0338","","","0.087","0.0886","","","","","","1.027","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019965","5.8217","0.0004","6.9692","0.0005","23.8602","0.0016","90","","97.299","0.006","90","","960.23","0.12","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitrobenzoate dihydrate","Poly[μ~2~-aqua-aqua-μ~3~-(4-nitrobenzoato)-potassium]","","- C7 H8 K N O6 -","- C7 H8 K N O6 -","- C28 H32 K4 N4 O24 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.033","0.0299","","","0.0712","0.0734","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019966","5.9355","0.0005","7.0456","0.0007","24.204","0.002","90","","98.739","0.008","90","","1000.44","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium 4-nitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-rubidium]","","- C7 H8 N O6 Rb -","- C7 H8 N O6 Rb -","- C28 H32 N4 O24 Rb4 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.0432","0.034","","","0.0768","0.0823","","","","","","0.966","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019967","7.787","0.0003","8.1899","0.0002","22.0975","0.0006","90","","90","","90","","1409.26","0.07","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C48 H84 N4 O12 Si4 -","4","1","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0527","0.0472","","","0.1122","0.1163","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019968","15.3969","0.0003","8.1763","0.0001","22.1067","0.0005","90","","90.01","0.002","90","","2783.01","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C96 H168 N8 O24 Si8 -","8","4","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0432","0.0394","","","0.1017","0.1066","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019969","22.9355","0.0007","8.1571","0.0002","22.123","0.0005","90","","90","","90","","4138.93","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C144 H252 N12 O36 Si12 -","12","3","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0521","0.0426","","","0.0963","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","137549","2020-10-21","18:00:00",""
"2019970","14.8841","0.0001","14.8841","0.0001","3.685","0.0001","90","","90","","120","","706.99","0.02","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Hexaerbium triacontacobalt enneakaidecasilicide","","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","1","0.0833333","","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Misztal, Renata; Pavlyuk, Volodymyr","Grown from lithium flux, the ErCo~5~Si~3.17~ silicide is a combination of disordered derivatives of the UCo~5~Si~3~ and Yb~6~Co~30~P~19~ structure types","Acta Crystallographica Section C","2015","71","6","506","510","10.1107/S2053229615009791","","","0.71073","MoKα","","0.0184","0.0163","","","0.0367","0.0376","","","","","","1.154","","","","has coordinates,has Fobs","137550","2020-10-21","18:00:00",""
"2019972","29.2238","0.0013","8.2252","0.0004","12.8789","0.0006","90","","90","","90","","3095.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(I) 0.18-hydrate","","- C15 H17.355 Cl Cu N3 O0.18 -","- C15 H17.3558 Cl Cu N3 O0.178 -","- C120 H138.846 Cl8 Cu8 N24 O1.424 -","8","2","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0533","0.0336","","","0.0586","0.0644","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019973","10.2961","0.0005","10.7435","0.0006","17.5025","0.0009","90","","94.932","0.003","90","","1928.89","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(I)-μ~2~-(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>C</i>^2^,<i>C</i>^3^] perchlorate acetonitrile monosolvate]","","- C17 H20 Cl Cu N4 O4 -","- C17 H20 Cl Cu N4 O4 -","- C68 H80 Cl4 Cu4 N16 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0388","0.0321","","","0.0848","0.0885","","","","","","1.062","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019974","8.3756","0.0003","11.038","0.0004","21.6954","0.0009","90","","100.749","0.001","90","","1970.54","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) dichloromethane monosolvate","","- C16 H19 Cl4 Cu N3 -","- C16 H19 Cl4 Cu N3 -","- C64 H76 Cl16 Cu4 N12 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0432","0.0347","","","0.0814","0.0855","","","","","","1.033","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019975","8.426","0.0012","14.832","0.002","14.007","0.002","90","","101.677","0.002","90","","1714.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) perchlorate","","- C15 H17 Cl2 Cu N3 O4 -","- C15 H17 Cl2 Cu N3 O4 -","- C60 H68 Cl8 Cu4 N12 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0495","0.0397","","","0.0929","0.0981","","","","","","0.977","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019976","10.3914","0.0002","12.2672","0.0003","26.0083","0.0006","90","","91.485","0.001","90","","3314.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis({(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)) bis(tetraphenylborate)","","- C78 H74 B2 Cl2 Cu2 N6 -","- C78 H74 B2 Cl2 Cu2 N6 -","- C156 H148 B4 Cl4 Cu4 N12 -","2","0.5","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0409","0.0319","","","0.0836","0.0894","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","139182","2020-10-21","18:00:00",""
"2019977","7.622","0.005","10.341","0.005","13.682","0.005","85.003","0.005","86.125","0.005","73.369","0.005","1028.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[aqua(μ~4~-benzene-1,2,3-tricarboxylato)[μ~2~-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ~3~-hydroxido)dizinc(II)]","","- C21 H16 N4 O8 Zn2 -","- C21 H16 N4 O8 Zn2 -","- C42 H32 N8 O16 Zn4 -","2","1","FP3012","Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong","A two-dimensional Zn^II^ coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methylidene]hydrazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010657","","","0.71073","MoKα","","0.045","0.0331","","","0.0798","0.0893","","","","","","1.006","","","","has coordinates,has Fobs","139183","2020-10-21","18:00:00",""
"2019978","7.6296","0.0003","7.8839","0.0003","18.1151","0.0008","90","","90","","90","","1089.64","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ~2~-pyrimidine-2-thiolato-κ^4^<i>N</i>^1^,<i>S</i>:<i>S</i>,<i>N</i>^3^)lead(II)]","","- C8 H6 N4 Pb S2 -","- C8 H6 N4 Pb S2 -","- C32 H24 N16 Pb4 S8 -","4","1","SK3588","Schwade, Vania Denise; Lang, Ernesto Schulz; Floriano, Luana","A three-dimensional metal‒organic polymer: poly[bis(μ2-pyrimidine-2-thiolato-κ4N1,S:S,N3)lead(II)]","Acta Crystallographica Section C Structural Chemistry","2015","71","7","1","","10.1107/S2053229615010359","","","0.71073","MoKα","","0.0242","0.0206","","","0.0455","0.0475","","","","","","0.687","","","","has coordinates,has Fobs","139184","2020-10-21","18:00:00",""
"2019979","17.2598","0.0003","21.299","0.0003","22.7585","0.0003","90","","96.378","0.002","90","","8314.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Cryptand-222)potassium chlorido[<i>meso</i>-tetra(α,α,α,α-<i>o</i>-\ pivalamidophenyl)porphyrinato]manganese tetrahydrofuran monosolvate","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium chlorido[<i>meso</i>-5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato(2-)]manganese(II) tetrahydrofuran monosolvate","","- C86 H108 Cl K Mn N10 O11 -","- C86 H108 Cl K Mn N10 O11 -","- C344 H432 Cl4 K4 Mn4 N40 O44 -","4","1","SK3589","Yu, Qiang; Li, Xiangjun; Liu, Diansheng; Li, Jianfeng","Structural study of a manganese(II) `picket-fence' porphyrin complex","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615009304","","","0.71073","MoKα","","0.069","0.0469","","","0.102","0.1132","","","","","","1.02","","","","has coordinates,has Fobs","139185","2020-10-21","18:00:00",""
"2019980","6.8024","0.0011","10.218","0.002","12.926","0.002","67.584","0.003","87.521","0.004","70.632","0.003","780","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(pipzH~2~)(pyzdc) 4.5(H~2~O)","Piperazine-1,4-diium pyrazine-2,3-dicarboxylate 4.5-hydrate","","- C10 H23 N4 O8.5 -","- C10 H23 N4 O8.5 -","- C20 H46 N8 O17 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0671","0.0517","","","0.1363","0.1502","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019981","10.2828","0.0005","12.711","0.0007","20.2387","0.001","96.671","0.003","98.2","0.003","112.923","0.004","2368.3","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[pipH2]2[Zn(pyrdc)2(H2O)]2.10H2O","Bis(piperazine-1,4-diium) bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^-bis[aqua(pyrazine-2,3-dicarboxylato-κ^2^<i>N</>^1^,<i>O</i>^2^)zinc(II)] decahydrate","","- C32 H56 N12 O28 Zn2 -","- C32 H56 N12 O28 Zn2 -","- C64 H112 N24 O56 Zn4 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0301","0.0236","","","0.0711","0.0756","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","139186","2020-10-21","18:00:00",""
"2019982","6.5238","0.0002","17.3808","0.0005","10.6599","0.0003","90","","100.656","0.003","90","","1187.87","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^] hexahydrate]","","- C16 H28 Co N6 O14 -","- C16 H28 Co N6 O14 -","- C32 H56 Co2 N12 O28 -","2","0.5","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0283","0.0255","","","0.0661","0.0677","","","","","","1.076","","","","has coordinates,has Fobs","139186","2020-10-21","18:00:00",""
"2019983","13.8742","0.0005","16.5419","0.0006","18.5356","0.0009","90","","110.547","0.001","90","","3983.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua(μ~5~-1,1'-biphenyl-2,2',5,5'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dicadmium(II)] dihydrate]","","- C40 H32 Cd2 N8 O11 -","- C40 H32 Cd2 N8 O11 -","- C160 H128 Cd8 N32 O44 -","4","1","OV3059","Su, Feng; Lu, Li-Ping","A three-dimensional Cd^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',5,5'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010992","","","0.71073","MoKα","","0.0531","0.0335","","","0.0757","0.084","","","","","","1.007","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019984","9.271","0.003","15.786","0.005","17.035","0.006","90","","95.322","0.005","90","","2482.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzil dihydrazone-N,N'-bis(2-chloro-1-formylbenzene)","1-(2-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.0925","0.0501","","","0.1278","0.1495","","","","","","0.952","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019985","11.619","0.004","23.173","0.008","9.165","0.003","90","","90","","90","","2467.6","1.4","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(3-chloro-1-formylbenzene)","1-(3-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","0.5","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1266","0.049","","","0.1203","0.1513","","","","","","0.984","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019986","9.661","0.005","11.492","0.006","13.018","0.007","111.04","0.007","109.532","0.007","93.954","0.007","1241.6","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(4-chloro-1-formylbenzene)","1-(4-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C56 H40 Cl4 N8 -","2","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1003","0.0578","","","0.1372","0.1582","","","","","","0.914","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019987","11.7178","0.0014","8.2765","0.0009","37.404","0.004","90","","99.806","0.005","90","","3574.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3-Amino-4-carboxybenzene-1-sulfonato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) 3-amino-4-carboxybenzene-1-sulfonate monohydrate","","- C38 H30 Cu N6 O11 S2 -","- C38 H30 Cu N6 O11 S2 -","- C152 H120 Cu4 N24 O44 S8 -","4","1","YF3088","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0668","0.0428","","","0.0994","0.1093","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019988","8.4858","0.0009","9.9337","0.0011","14.5512","0.0013","90","","120.445","0.005","90","","1057.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-3-amino-4-carboxylatobenzene-1-sulfonato-κ^2^<i>O</i>^4^:<i>O</i>^4'^]","","- C7 H9 Cu N O7 S -","- C7 H9 Cu N O7 S -","- C28 H36 Cu4 N4 O28 S4 -","4","1","","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0282","0.0237","","","0.0629","0.0653","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019989","7.1462","0.0002","13.1927","0.0005","13.6379","0.0005","94.905","0.003","104.416","0.003","101.579","0.003","1207.42","0.08","298","2","298","","","","","","","","","6","P -1","-P 1","2","","1-(7-Chloroquinolin-4-yl)thiosemicarbazide‒methanol‒water (2/1/1)","","- C10.5 H12 Cl N4 O S -","- C10.5 H12 Cl N4 O S -","- C42 H48 Cl4 N16 O4 S4 -","4","2","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.053","0.0336","","0.0893","","0.0893","","","0.973","","","0.973","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2019990","9.4517","0.0006","7.8839","0.0005","16.5172","0.001","90","","98.477","0.005","90","","1217.35","0.13","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(7-Chloro-1,4-dihydroquinolin-4-ylidene)azaniumyl]thiourea chloride","","- C10 H10 Cl2 N4 S -","- C10 H10 Cl2 N4 S -","- C40 H40 Cl8 N16 S4 -","4","1","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.0934","0.0479","","0.1009","0.0829","0.1029","","","1.05","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019991","10.04","0.002","29.5","0.006","10.966","0.002","90","","94.58","0.03","90","","3237.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-carboxymethyl-4-(dimethylamino)pyridinium [cadmium(II)-tri-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] [[[4-(dimethylamino)pyridinium-1-acetate-κ^2^<i>O</i>,<i>O</i>]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]","","- C23 H25 Cd2 N9 O4 S5 -","- C23 H25 Cd2 N9 O4 S5 -","- C92 H100 Cd8 N36 O16 S20 -","4","1","YO3008","Wang, Hui-Ting; Zhou, Lin","A one-dimensional Cd^II^ coordination polymer constructed from 4-(dimethylamino)pyridinium-1-acetate ligands and thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011298","","","0.71073","MoKα","","0.1534","0.0708","","","0.0928","0.1106","","","","","","1.062","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019992","11.441","0.007","3.781","0.002","20.553","0.012","90","","97.444","0.01","90","","881.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-3-(2-nitrophenyl)prop-2-en-1-ylidene]ethane-1,2-diamine","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","0.5","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.6727","synchrotron","","0.0619","0.0488","","","0.1209","0.1245","","","","","","0.972","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019993","9.1038","0.0008","13.8186","0.0012","15.2972","0.0014","104.783","0.0014","102.678","0.0014","91.3","0.0014","1809","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-\ diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-\ κ^2^<i>N</i>,<i>N</i>'}(thiocyanato-κ<i>N</i>)(triphenylphosphane-\ κ<i>P</i>)copper(I)]","","- C39 H33 Cu N5 O4 P S -","- C39 H33 Cu N5 O4 P S -","- C78 H66 Cu2 N10 O8 P2 S2 -","2","1","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.71073","MoKα","","0.0754","0.0687","","","0.1274","0.1296","","","","","","1.346","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019994","21.7231","0.0019","5.6603","0.0004","32.075","0.003","90","","98.95","0.008","90","","3895.9","0.6","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.2503","0.0868","","","0.1129","0.1624","","","","","","0.94","","","","has coordinates,has Fobs","139369","2020-10-21","18:00:00",""
"2019995","11.5217","0.0009","5.9974","0.0003","19.3426","0.0012","90","","95.848","0.006","90","","1329.62","0.15","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Lisinium hydrogen maleate hemihydrate","","- C10 H18 N O6.5 -","- C10 H18 N O6.5 -","- C40 H72 N4 O26 -","4","2","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.1134","0.0643","","","0.1006","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019996","12.2269","0.0006","5.30779","0.00017","15.4678","0.0006","90","","113.055","0.005","90","","923.65","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Norvalinium hydrogen maleate‒<i>L</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","1","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.0569","0.048","","","0.1058","0.1136","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","139369","2020-10-21","18:00:00",""
"2019997","12.4953","0.001","10.8683","0.0008","6.8075","0.0005","90","","90","","90","","924.48","0.12","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride","","- Gd4 O9 Si2 Te -","- Gd4 O9 Si2 Te -","- Gd16 O36 Si8 Te4 -","4","0.5","FP3011","Daszkiewicz, Marek; Gulay, Lubomir D.","Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and spectroscopic properties","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011651","","","0.71073","MoKα","","0.0293","0.0199","","","0.0363","0.0385","","","","","","1.1","","","","has coordinates,has Fobs","139464","2020-10-21","18:00:00",""
"2019998","13.4314","0.0004","8.2405","0.0004","29.9252","0.0009","90","","90","","90","","3312.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one","","- C18 H14 Cl2 O -","- C18 H14 Cl2 O -","- C144 H112 Cl16 O8 -","8","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0994","0.058","","","0.1747","0.2063","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2019999","6.6259","0.0008","8.6868","0.0011","30.472","0.004","90","","91.765","0.004","90","","1753.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]cyclohex-2-en-1-one","","- C21 H21 Cl O -","- C21 H21 Cl O -","- C84 H84 Cl4 O4 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.114","0.059","","","0.1174","0.1376","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020000","17.4871","0.0011","11.59","0.0008","10.0167","0.0007","90","","95.3","0.002","90","","2021.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>, 6<i>SR</i>)-4-(4-chlorophenyl)-6-[4-(propan-2-yl)phenyl]-2-oxocyclohex-3-ene-1-carboxylate","","- C23 H23 Cl O3 -","- C23 H23 Cl O3 -","- C92 H92 Cl4 O12 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.091","0.0592","","","0.1372","0.1609","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020001","10.0725","0.0003","12.5793","0.0003","14.9438","0.0004","104.332","0.001","92.467","0.001","94.565","0.001","1824.84","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4''-bromo-4-fluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C21 H16 Br F O3 -","- C21 H16 Br F O3 -","- C84 H64 Br4 F4 O12 -","4","2","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0771","0.0426","","","0.103","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","139704","2020-10-21","18:00:00",""
"2020002","23.461","0.005","5.5965","0.0013","17.068","0.003","90","","96.544","0.013","90","","2226.4","0.8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-((2-(pyridin-2-yl)hydrazono)methyl)pyridin-2-yl)methanol","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C96 H96 N32 O8 -","8","1","","Soto-Monsalve, Monica; Cabrera-Espinoza, Andrea; Grande, Carlos D.; D'Vries, Richard F.; Chaur, Manuel N.","Synthesis and characterization of (6-{[2-(pyridin-2-yl)hydrazinylidene]methyl}pyridin-2-yl)methanol: a supramolecular and topological study","Acta Crystallographica Section C","2015","71","7","631","635","10.1107/S2053229615010062","","","0.71073","MoKα","","0.0929","0.043","","","0.098","0.1088","","","","","","0.833","","","","has coordinates","171462","2020-10-21","18:00:00",""
"2020003","23.1681","0.0011","13.0753","0.0006","13.2643","0.0006","90","","97.251","0.003","90","","3986","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)terephthalamide]bis(μ~3~-4,4'-oxydibenzoato)dizinc(II)]","","- C46 H30 N4 O12 Zn2 -","- C46 H30 N4 O12 Zn2 -","- C184 H120 N16 O48 Zn8 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0285","0.0251","","","0.0707","0.0725","","","","","","1.052","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020004","27.0043","0.001","7.9145","0.0003","17.9803","0.0006","90","","129.491","0.002","90","","2965.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-<i>N</i>^4^,<i>N</i>^4'^-bis(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide]dicadmium(II)] dihydrate]","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C128 H104 Cd4 N16 O32 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0599","0.0566","","","0.1751","0.1809","","","","","","1.059","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020005","33.2283","0.0019","6.6469","0.0004","7.4241","0.0004","90","","91.299","0.005","90","","1639.3","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-phenylalaninato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C17 H17 N O4 Zn -","- C17 H17 N O4 Zn -","- C68 H68 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0465","0.0382","","","0.0732","0.0778","","","","","","0.986","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020006","6.479","0.0004","7.6577","0.0004","30.7746","0.0019","90","","90","","90","","1526.86","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-leucinato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C14 H19 N O4 Zn -","- C14 H19 N O4 Zn -","- C56 H76 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0739","0.0689","","","0.1315","0.135","","","","","","1.166","","","","has coordinates,has Fobs","139728","2020-10-21","18:00:00",""
"2020007","3.8106","0.0003","3.8106","0.0003","21.719","0.002","90","","90","","120","","273.12","0.04","291.6","0.8","291.6","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium scandium sulfide","","- K S2 Sc -","- K S2 Sc -","- K3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0285","0.025","","","0.0625","0.0638","","","","","","1.92","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020008","3.8299","0.0006","3.8299","0.0006","22.656","0.003","90","","90","","120","","287.8","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rubidium scandium sulfide","","- Rb S2 Sc -","- Rb S2 Sc -","- Rb3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.033","0.0329","","","0.0677","0.0677","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020009","4.1626","0.0003","4.1626","0.0003","21.8996","0.0019","90","0.006","90","0.006","120","0.007","328.62","0.05","301.2","0.4","301.2","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium neodymium sufide","","- K Nd S2 -","- K Nd S2 -","- K3 Nd3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0096","0.0096","","","0.0098","0.0098","","","","","","0.6","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020010","4.1174","0.0006","4.1174","0.0006","21.888","0.003","90","","90","","120","","321.35","0.08","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium samarium sulfide","","- K S2 Sm -","- K S2 Sm -","- K3 S6 Sm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0312","0.0312","","","0.0686","0.0686","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020011","4.0523","0.0007","4.0523","0.0007","21.885","0.003","90","","90","","120","","311.23","0.09","295","0.9","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium terbium sulfide","","- K S2 Tb -","- K S2 Tb -","- K3 S6 Tb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0167","0.0167","","","0.0351","0.0351","","","","","","0.97","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020012","4.0315","0.0011","4.0315","0.0011","21.89","0.005","90","","90","","120","","308.11","0.14","293.5","0.6","293.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium dysprosium sulfide","","- Dy K S2 -","- Dy K S2 -","- Dy3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0519","0.0516","","","0.105","0.105","","","","","","2.32","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020013","4.0098","0.0004","4.0098","0.0004","21.878","0.002","90","","90","","120","","304.64","0.05","303.3","0.3","303.3","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium holmium sulfide","","- Ho K S2 -","- Ho K S2 -","- Ho3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0308","0.0204","","","0.0497","0.0597","","","","","","1.56","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020014","3.9935","0.0004","3.9935","0.0004","21.866","0.002","90","","90","","120","","302","0.05","296","6","296","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium erbium sulfide","","- Er K S2 -","- Er K S2 -","- Er3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0267","0.0267","","","0.0642","0.0642","","","","","","1.81","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020015","3.9761","0.0005","3.9761","0.0005","21.841","0.003","90","","90","","120","","299.03","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium thulium sulfide","","- K S2 Tm -","- K S2 Tm -","- K3 S6 Tm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0162","0.0162","","","0.0395","0.0395","","","","","","1.12","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020016","3.9615","0.0008","3.9615","0.0008","21.81","0.003","90","","90","","120","","296.42","0.09","301","0.15","301","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium ytterbium sulfide","","- K S2 Yb -","- K S2 Yb -","- K3 S6 Yb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0287","0.0287","","","0.0691","0.0691","","","","","","1.65","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020018","7.9551","0.0007","8.878","0.0008","13.9793","0.0012","101.246","0.0012","90.5899","0.0012","115.42","0.001","869.65","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.047","0.0415","","","0.1097","0.1158","","","","","","1.056","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020019","7.9881","0.0012","8.9052","0.0013","14.053","0.003","101.185","0.003","90.964","0.003","114.909","0.002","884","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.0648","0.0508","","","0.1351","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020020","8.0257","0.0009","8.9366","0.0011","14.1268","0.0017","101.023","0.0019","91.2751","0.0019","114.542","0.0017","898.78","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.077","0.0552","","","0.1458","0.1655","","","","","","1.017","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020021","7.8881","0.0009","14.0296","0.0017","20.81","0.003","90","","91.749","0.007","90","","2301.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.1662","0.0702","","","0.1492","0.1862","","","","","","0.92","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020022","15.7925","0.0011","13.7715","0.0004","11.3887","0.0003","90","","94.35","0.007","90","","2469.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C96 H96 Cl8 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71075","MoKα","","0.0395","0.0337","","","0.0847","0.087","","","","","","1.074","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020023","9.274","0.004","4.1096","0.0018","16.104","0.007","90","","97.813","0.009","90","","608.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C24 H24 Cl2 N6 O6 -","2","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","1.54187","CuKα","","0.0362","0.0343","","","0.0814","0.0822","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020024","19.7273","0.0013","7.6749","0.0003","9.3882","0.0003","90","","90","","90","","1421.42","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]-<i>N</i>,3-dimethyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.058","","","","","","1.061","","","","has coordinates,has Fobs","140984","2020-10-21","18:00:00",""
"2020025","35.847","0.003","7.3242","0.0005","22.995","0.002","90","","117.882","0.003","90","","5336.5","0.8","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide)","","- C28 H20 N10 O2 -","- C28 H20 N10 O2 -","- C224 H160 N80 O16 -","8","1","LY3016","Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui","Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012437","","","0.71073","MoKa","","0.0562","0.0384","","","0.104","0.1183","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","140985","2020-10-21","18:00:00",""
"2020026","19.891","","19.891","","9.246","","90","","90","","120","","3168.09","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Pd40 Sn31 Y13 -","- Pd40 Sn31 Y13 -","- Pd80 Sn62 Y26 -","2","0.0833333","","Cenzual, K.; Parthe, E.","Hexagonal Y13 Pd40 Sn31, a new structure type containing intergrown Ca Cu5- and Mn Cu2 Al-type derived structure segments","Acta Crystallographica C (39,1983-)","1984","40","","1127","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020027","14.405","","14.405","","14.405","","90","","90","","90","","2989.09","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Rh13 Sc57 -","- Rh13 Sc57 -","- Rh26 Sc114 -","2","0.0833333","","Cenzual, K.; Chabot, B.; Parthe, E.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020028","14.414","","14.414","","14.414","","90","","90","","90","","2994.7","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Rh13.6 Sc56.8 -","- Rh13.6 Sc56.814 -","- Rh27.2 Sc113.628 -","2","0.0416667","","Cenzual, K.; Parthe, E.; Chabot, B.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020029","13.856","","14.104","","14.57","","90","","90","","90","","2847.34","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Hf54 Os17 -","- Hf54 Os17 -","- Hf108 Os34 -","2","0.125","","Cenzual, K.; Chabot, B.; Parthe, E.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometriclly related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020030","10.788","","10.788","","5.662","","90","","90","","90","","658.949","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","","","- Ir Zr3 -","- Ir Zr3 -","- Ir8 Zr24 -","8","0.5","","Cenzual, K.; Parthe, E.","Zr3 Ir with tetragonal alpha-V3 S structure","Acta Crystallographica C (39,1983-)","1985","41","","820","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020031","25.847","","25.847","","8.771","","90","","90","","120","","5074.58","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Re25 Zr21 -","- Re25 Zr21 -","- Re150 Zr126 -","6","0.166667","","Cenzual, K.; Parthe, E.; Waterstrat, R.M.","Zr21 Re25, a new rhombohedral structure type containing 1.2 nm thick infinite Mg Zn2 (Laves) phases","Acta Crystallographica C (39,1983-)","1986","42","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020032","7.9306","","7.9306","","17.701","","90","","90","","120","","964.141","","","","","","","","","","","","","2","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Ir3 Zr5 -","- Ir3 Zr5 -","- Ir18 Zr30 -","6","0.5","","Cenzual, K.; Parthe, E.","Zr5 Ir3 with a deformation superstructure of the Mn5 Si3 structure","Acta Crystallographica C (39,1983-)","1986","42","","1101","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020033","14.146","","4.286","","5.702","","90","","90","","90","","345.711","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Th -","- Ni Th -","- Ni8 Th8 -","8","1","","Fornasini, M.L.","Structural redetermination of the Th Ni phase","Acta Crystallographica C (39,1983-)","1983","39","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020034","12.484","","12.484","","12.484","","90","","90","","90","","1945.64","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ga7 Sr8 -","- Ga7 Sr8 -","- Ga28 Sr32 -","4","0.333333","","Fornasini, M.L.","Structures of Ba8 Ga7, Sr8 Ga7 and Sr8 Al7","Acta Crystallographica C (39,1983-)","1983","39","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020035","22.344","","22.344","","22.344","","90","","90","","90","","11155.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Gd9.08 Mg45.9 -","- Gd9.08 Mg45.9 -","- Gd72.64 Mg367.2 -","8","0.0833333","","Fornasini, M.L.; Manfrinetti, P.; Gschneidner, K.A.jr.","Gd Mg5: a complex structure with a large cubic cell","Acta Crystallographica C (39,1983-)","1986","42","","138","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020036","13.4809","0.0006","14.3767","0.0007","6.2095","0.0003","90","","95.57","0.001","90","","1197.79","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","anisole","Methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","YF3090","Seidel, Rüdiger W.; Goddard, Richard","Anisole at 100K: the first crystal structure determination","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012553","","","1.54178","CuKα","","0.0384","0.0372","","","0.1109","0.1119","","","","","","1.127","","","","has coordinates,has Fobs","141456","2020-10-21","18:00:00",""
"2020037","6.9826","0.0014","14.909","0.003","10.417","0.002","90","","99.3","0.03","90","","1070.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]]","","- C7 H10 Cd Cl2 N2 O2 -","- C7 H10 Cd Cl2 N2 O2 -","- C28 H40 Cd4 Cl8 N8 O8 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0236","0.0201","","","0.051","0.0526","","","","","","1.095","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020038","15.338","0.003","6.1963","0.0012","20","0.008","90","","121.09","0.02","90","","1627.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[aquacadmium(II)]-bis(μ-4-aminobenzoato)-\ κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>] monohydrate]","","- C14 H16 Cd N2 O6 -","- C14 H16 Cd N2 O6 -","- C56 H64 Cd4 N8 O24 -","4","0.5","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0311","0.0299","","","0.0796","0.0807","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020039","21.143","0.004","8.0696","0.0016","21.473","0.004","90","","90","","90","","3663.6","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C38 H34 Cd2 N6 O8 -","- C38 H34 Cd2 N6 O8 -","- C152 H136 Cd8 N24 O32 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0372","0.0304","","","0.0661","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","141457","2020-10-21","18:00:00",""
"2020040","14.1963","0.0008","14.8203","0.0009","18.7386","0.0009","90","","102.663","0.005","90","","3846.6","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-1'-{<i>N</i>-[1-(Anthracen-9-yl)-2-(<i>tert</i>-butylamino)-2-oxoethyl]-<i>N</i>-(4-methoxyphenyl)carbamoyl}ferrocene-1-carboxylic acid dichloromethane disolvate","","- C41 H40 Cl4 Fe N2 O5 -","- C41 H40 Cl4 Fe N2 O5 -","- C164 H160 Cl16 Fe4 N8 O20 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.1111","0.0638","","","0.1231","0.1588","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020041","13.0787","0.0003","14.4271","0.0004","16.1873","0.0004","90","","93.491","0.002","90","","3048.68","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-2-(Anthracen-9-yl)-<i>N</i>-<i>tert</i>-butyl-2-[<i>N</i>-(4-methylphenyl)ferrocenylformamido]acetamide","","- C38 H36 Fe N2 O2 -","- C38 H36 Fe N2 O2 -","- C152 H144 Fe4 N8 O8 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.0596","0.0413","","","0.0802","0.0908","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020042","7.482","","7.482","","7.482","","90","","90","","90","","418.845","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na Pt2 -","- Na Pt2 -","- Na8 Pt16 -","8","0.0416667","","Range, K.J.; Rau, F.; Klement, U.","Sodium diplatinum","Acta Crystallographica C (39,1983-)","1989","45","","1069","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020043","10.586","","10.586","","5.177","","90","","90","","90","","580.152","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ga Nb5 Sn2 -","- Ga Nb5 Sn2 -","- Ga4 Nb20 Sn8 -","4","0.125","","Ukei, K.; Shishido, T.; Fukuda, T.","Structure of Nb5 Sn2 Ga","Acta Crystallographica C (39,1983-)","1989","45","","349","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020044","11.858","","11.858","","9.107","","90","","90","","120","","1108.99","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Ce14 Cu50.92 -","- Ce14 Cu50.92 -","- Ce14 Cu50.92 -","1","0.0833333","","Allibert, C.; Wong-Ng, W.; Nyburg, S.C.","Ce Cu3.6, a disordered variant of Gd14 Ag51 type","Acta Crystallographica C (39,1983-)","1984","40","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020045","8.854","","8.854","","8.854","","90","","90","","90","","694.094","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","(Cu0.1 Ni0.5 Zn0.4)9.9 Sn8.7","","- Cu0.99 Ni4.95 Sn8.7 Zn3.96 -","- Cu0.989 Ni4.945 Sn8.75 Zn3.961 -","- Cu1.978 Ni9.89 Sn17.5 Zn7.922 -","2","0.0833333","","Larsson, A.K.; Lidin, S.; Jacob, M.","Sn8.7(Ni.5 Zn.4 Cu.1)10.4, a new tin-based alloy from a complex metallic mixture","Acta Crystallographica C (39,1983-)","1994","50","","9","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","149429","2020-10-21","18:00:00",""
"2020046","18.0838","","18.0838","","18.0838","","90","","90","","90","","5913.83","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Fe Ni).99 Zn12.71","","- Fe0.99 Ni0.99 Zn12.71 -","- Fe0.985714 Ni0.985714 Zn12.7143 -","- Fe27.6 Ni27.6 Zn356 -","28","0.291667","","Lidin, S.; Jacob, M.; Larsson, A.K.","(Fe, Ni) Zn6.5, a superstructure of gamma-brass","Acta Crystallographica C (39,1983-)","1994","50","","340","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","149450","2020-10-21","18:00:00",""
"2020047","8.959","","13.677","","9.777","","90","","90","","90","","1198","","","","","","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","(Pt Br2 (C2 H6 O S)2)","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","","Loevqvist, K.","cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-bis(dimethyl sulfoxide-S)diiodoplatinum(II)","Acta Crystallographica C (39,1983-)","1996","52","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020048","14.883","","12.447","","12.56","","90","","90","","90","","2326.72","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn2.99 Al9.677","","- Al9.677 Mn2.99 -","- Al9.67667 Mn2.99 -","- Al116.12 Mn35.88 -","12","1.5","","Pavlyuk, V.V.; Gladyshevskii, R.E.; Yanson, T.I.; Bodak, O.; Cerny, R.; Yvon K.; Stepen'-Damm, Yu.","Structure refinement of orthorhombic Mn Al3","Acta Crystallographica C (39,1983-)","1995","51","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","151480","2020-10-21","18:00:00",""
"2020049","10.174","0.002","20.843","0.004","13.274","0.003","90","","100.4","0.03","90","","2768.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ-1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] dimethylformamide monosolvate pentahydrate]","","- C23 H31 N5 O12 Zn -","- C23 H31 N5 O12 Zn -","- C92 H124 N20 O48 Zn4 -","4","1","","Huang, Qiu-Ying; Yang, Yi; Meng, Xiang-Ru","A new two-dimensional Zn^II^ coordination polymer constructed by a multidentate N-heterocyclic ligand and 5-carboxybenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013224","","","0.71073","MoKα","","0.0694","0.0598","","","0.1444","0.1517","","","","","","1.064","","","","has coordinates,has Fobs","152104","2020-10-21","18:00:00",""
"2020050","5.4","0.0016","5.6093","0.0017","9.132","0.003","80.688","0.006","72.99","0.005","80.08","0.005","258.73","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimercury(II) divanadium(V) ditellurium(IV) undecaoxide","","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","1","0.5","KY3085","Weil, Matthias","A linear bridging angle in the pyrovanadate group within the crystal structure of Hg~2~V~2~Te~2~O~11~","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013406","","","0.71073","MoKα","","0.028","0.0269","","","0.0656","0.0661","","","","","","1.044","","","","has coordinates,has Fobs","152105","2020-10-21","18:00:00",""
"2020051","8.4892","0.0001","12.1555","0.0002","12.0631","0.0002","90","","90","","90","","1244.8","0.03","300","2","299.93","","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","0.5","LG3170","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0201","0.0193","","","0.0521","0.0529","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","152106","2020-10-21","18:00:00",""
"2020052","16.7032","0.0006","12.0743","0.0004","12.0288","0.0004","90","","90","","90","","2425.96","0.14","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C48 H144 Cl8 Co8 N48 O32 -","8","1","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0194","0.0179","","","0.0548","0.0563","","","","","","1.074","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020053","8.856","0.004","11.95","0.005","11.75","0.004","90","","90","0.013","90","","1243.5","0.9","100","","100","","","","","","","","","6","A 2 1 1","A 2y","5","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0365","0.0337","","","0.0687","0.0701","","","","","","1.053","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020054","8.887","0.006","9.118","0.005","10.099","0.004","111.034","0.013","115.407","0.009","92.872","0.013","669.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridobismuth(III)]-μ~3~-1,10-phenanthroline-2,9-dicarboxylato-κ^5^<i>O</i>^2^:<i>N</i>^1^,<i>N</i>^10^,<i>O</i>^9^:<i>O</i>^9^]","","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","1","0.5","KU3161","Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu","A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501308X","","","0.71073","MoKα","","0.0308","0.0272","","","0.0666","0.0684","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2020055","16.4083","0.0009","17.639","0.002","21.6604","0.0013","90","","94.477","0.006","90","","6250","0.9","100","0.2","100","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[copper(I)-μ-1,3-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propane] methanesulfonate dichloromethane 0.6-solvate]","","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C212.8 H153.6 Cl9.6 Cu8 F24 N48 O40 S24 -","8","1","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0767","0.0554","","","0.1491","0.1648","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020056","11.1554","0.0008","11.509","0.0009","13.6722","0.0011","68.55","0.008","81.603","0.006","76.089","0.006","1582.6","0.2","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1.5/1)","","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0934","0.0669","","","0.1735","0.1983","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020057","11.2499","0.0011","11.5798","0.0011","13.6976","0.0015","67.635","0.01","81.106","0.009","75.524","0.008","1594.3","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(perchlorate)‒dichloromethane‒methanol (1/2/1)","","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.1627","0.0855","","","0.1923","0.2513","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","152108","2020-10-21","18:00:00",""
"2020058","9.5274","0.0008","15.4463","0.0013","12.7366","0.0011","90","","98.731","0.001","90","","1852.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tris(diglyme-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')potassium 1,2-dihydrocorannulenide","Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']potassium hexacyclo[11.5.2.0^4,17^.0^7,16^.0^10,15^.0^14,18^]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide","","- C38 H54 K O9 -","- C38 H54 K O9 -","- C76 H108 K2 O18 -","2","1","FA3372","Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A.","Monoreduced 1,2-dihydrocorannulene <i>versus</i> the parent corannulene","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013145","","","0.71073","MoKα","","0.1038","0.0666","","","0.156","0.1774","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","152109","2020-10-21","18:00:00",""
"2020059","10.334","0.0002","15.9714","0.0004","25.3074","0.0007","90","","93.277","0.001","90","","4170.12","0.18","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[]bis(methanolato-κ<i>O</i>)[μ~5~-5,10,15,20-tetrakis(pyridin-4-yl)porphyrin-κ^8^1κ<i>N</i>^5^:1'κ<i>N</i>^10^:1''κ<i>N</i>^15^:1'''κ<i>N</i>^20^:2κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(I)tin(II)] dichloridocuprate(I)],","","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C168 H120 Cl8 Cu8 N32 O8 Sn4 -","4","1","YO3011","Titi, Hatem M.; Goldberg, Israel","Diamondoid framework solid with Sn(OCH~3~)~2~‒tetrapyridylporphyrin linkers, Cu^I^ nodes and [Cu^I^Cl~2~]^{-^} counter-ions","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013327","","","0.71073","MoKα","","0.0619","0.0499","","","0.1304","0.1353","","","","","","1.039","","","","has coordinates,has Fobs","152110","2020-10-21","18:00:00",""
"2020060","9.5268","0.0012","13.0566","0.0017","13.4593","0.0017","94.401","0.002","97.385","0.002","107.762","0.002","1569.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 4'-(4-bromophenyl)-1''-methyl-2,2''-dioxo-5'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C36 H31 Br N2 O5 -","- C36 H31 Br N2 O5 -","- C72 H62 Br2 N4 O10 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.1187","0.0664","","","0.1714","0.2032","","","","","","0.991","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020061","9.0986","0.0007","9.7185","0.0007","16.5056","0.0013","78.915","0.001","75.763","0.001","67.687","0.001","1300.77","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","5'-(4-Bromophenyl)-1,1''-dimethyl-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C32 H25 Br N2 O3 -","- C32 H25 Br N2 O3 -","- C64 H50 Br2 N4 O6 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.0573","0.0413","","","0.101","0.1089","","","","","","1.024","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020062","10.1226","0.0009","14.3682","0.0013","21.353","0.002","90","","91.799","0.002","90","","3104.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 1''-methyl-2,2''-dioxo-4'-phenyl-5'-(<i>p</i>-tolyl)-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C37 H34 N2 O5 -","- C37 H34 N2 O5 -","- C148 H136 N8 O20 -","4","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.059","0.049","","","0.1266","0.1344","","","","","","1.036","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020063","7.7042","0.0015","14.457","0.003","17.549","0.004","90","","90","","90","","1954.6","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Poly[4-dimethylamino-1-ethylpyridin-1-ium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C15 H15 Cd N11 -","- C15 H15 Cd N11 -","- C60 H60 Cd4 N44 -","4","0.5","YO3009","Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li","A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013315","","","0.71073","MoKα","","0.0602","0.0448","","","0.0923","0.0982","","","","","","1.188","","","","has coordinates,has Fobs","152267","2020-10-21","18:00:00",""
"2020064","10.44","0.002","7.7444","0.0015","18.161","0.004","90","","95.16","0.03","90","","1462.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Cd N O -","- C8 H20 Br3 Cd N O -","- C32 H80 Br12 Cd4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0582","0.0446","","","0.0985","0.1037","","","","","","1.213","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020065","10.373","0.002","7.862","0.0016","17.984","0.004","90","","94.85","0.03","90","","1461.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Hg N O -","- C8 H20 Br3 Hg N O -","- C32 H80 Br12 Hg4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0763","0.0492","","","0.1028","0.1115","","","","","","1.115","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020066","11.873","0.0006","5.2291","0.0002","15.3459","0.0009","90","","106.602","0.004","90","","913.03","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(<i>L</i>-cysteinium) <i>L</i>-cysteine difluoride hydrogen fluoride","Bis(<i>L</i>-cysteinium) difluoride‒<i>L</i>-cysteine‒hydrogen fluoride (1/1/1)","","- C9 H24 F3 N3 O6 S3 -","- C9 H24 F3 N3 O6 S3 -","- C18 H48 F6 N6 O12 S6 -","2","1","YF3089","Minkov, V. S.; Ghazaryan, V. V.; Boldyreva, E. V.; Petrosyan, A. M.","Unusual hydrogen bonding in <small>L</small>-cysteine hydrogen fluoride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013601","","","0.71073","MoKα","","0.0334","0.0288","","","0.0626","0.0638","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020067","7.994","0.0004","9.0648","0.0004","10.7692","0.0006","109.136","0.004","109.397","0.004","97.32","0.004","670.52","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.094","0.0515","","","0.1257","0.1503","","","","","","1.002","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020068","12.2264","0.0011","9.8581","0.0007","15.8735","0.0013","90","","112.129","0.01","90","","1772.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4<i>H</i>)-one","","- C9 H7 N O2 S -","- C9 H7 N O2 S -","- C72 H56 N8 O16 S8 -","8","2","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0748","0.0437","","","0.0948","0.1107","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020069","8.846","0.0002","9.9951","0.0002","11.2435","0.0002","114.481","0.001","98.564","0.001","105.891","0.001","830.15","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-phenyl-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C20 H15 N3 O S -","- C20 H15 N3 O S -","- C40 H30 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0568","0.0409","","","0.1021","0.1131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020070","9.1697","0.0005","10.7939","0.0005","11.0837","0.0006","66.424","0.002","66.147","0.003","67.934","0.002","889.13","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C42 H34 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0506","0.0436","","","0.0938","0.1001","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020071","8.2717","0.0002","17.453","0.0003","23.3501","0.0005","90","","90","","90","","3370.96","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C19 H13 N3 O S2 -","- C19 H13 N3 O S2 -","- C152 H104 N24 O8 S16 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0543","0.0428","","","0.1098","0.1195","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020072","16.6123","0.0003","9.7589","0.0002","17.7543","0.0004","90","","90","","90","","2878.29","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (2<i>Z</i>)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0632","0.0454","","","0.1066","0.1177","","","","","","1.065","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020073","7.1457","0.0014","26.002","0.005","10.043","0.002","90","","94.36","0.03","90","","1860.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κ^4^<i>N</i>)octakis-μ~2~-thiocyanato-κ^8^<i>N</i>:<i>S</i>;κ^8^<i>S</i>:<i>N</i>-tricadmium(II)]","","- C24 H28 Cd3 N14 S8 -","- C24 H28 Cd3 N14 S8 -","- C48 H56 Cd6 N28 S16 -","2","0.5","KU3162","Wang, Hui-Ting; Li, Qiang; Zhou, Lin","A two-dimensional cadmium(II) coordination polymer based on 1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S205322961501431X","","","0.71073","MoKα","","0.0575","0.0391","","","0.0622","0.0666","","","","","","1.078","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020074","10.3336","0.0004","14.3984","0.001","15.2649","0.0008","90.673","0.005","98.12","0.004","110.761","0.005","2097.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(dimethylformamide-κ<i>O</i>)[μ~3~-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^](methanol-κ<i>O</i>)manganese(III)] dimethylformamide monosolvate]","","- C47 H41 Mn N3 O9 -","- C47 H41 Mn N3 O9 -","- C94 H82 Mn2 N6 O18 -","2","1","DT3035","Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing","A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014217","","","0.71073","MoKα","","0.0762","0.0463","","","0.0921","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","153017","2020-10-21","18:00:00",""
"2020075","10.7466","0.0003","10.7589","0.0003","15.0842","0.0004","103.436","0.002","93.315","0.002","108.019","0.002","1597.19","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl","","- C44 H34 O2 -","- C44 H34 O2 -","- C88 H68 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0779","0.0422","","","0.097","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020076","9.1196","0.0005","9.5474","0.0005","11.992","0.0006","105.682","0.002","90.853","0.002","117.642","0.002","878.39","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C47 H41 N O3 -","- C47 H41 N O3 -","- C47 H41 N O3 -","1","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0721","0.0703","","","0.1988","0.2001","","","","","","1.067","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020077","9.4052","0.0003","13.1823","0.0005","15.6828","0.0005","79.371","0.002","80.965","0.002","74.371","0.002","1828.49","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl","","- C48 H42 O2 -","- C48 H42 O2 -","- C96 H84 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0932","0.0474","","","0.0991","0.1194","","","","","","1.003","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020078","8.9604","0.0003","10.8542","0.0004","22.0219","0.0008","92.689","0.002","93.978","0.002","113.2","0.002","1957.42","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C51 H49 N O3 -","- C51 H49 N O3 -","- C102 H98 N2 O6 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0686","0.0477","","","0.1255","0.1419","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","153310","2020-10-21","18:00:00",""
"2020079","7.9452","0.0002","14.2079","0.0004","17.8589","0.0005","83.687","0.002","78.583","0.002","76.417","0.002","1916.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl acetonitrile monosolvate","","- C50 H45 N O2 -","- C50 H45 N O2 -","- C100 H90 N2 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.1003","0.0582","","","0.1368","0.1591","","","","","","1.02","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020080","10.2561","0.0018","17.088","0.003","22.205","0.004","90","","90","","90","","3891.6","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II)","","- C18 H17 Co I N4 O4 -","- C18 H17 Co I N4 O4 -","- C144 H136 Co8 I8 N32 O32 -","8","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.0756","0.04","","","0.0789","0.0895","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020081","7.991","0.0009","17.8363","0.0019","18.2004","0.0017","90","","110.08","0.004","90","","2436.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-iodobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] trihydrate]","","- C18 H23 I N4 O7 Zn -","- C18 H23 I N4 O7 Zn -","- C72 H92 I4 N16 O28 Zn4 -","4","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.1309","0.0646","","","0.1735","0.2161","","","","","","0.973","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020082","10.0302","0.0003","10.6172","0.0003","16.2428","0.0006","90","","90","","90","","1729.74","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C13 H22 N2 S Si2 -","- C13 H22 N2 S Si2 -","- C52 H88 N8 S4 Si8 -","4","1","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.0975","0.0479","","","0.0883","0.1041","","","","","","1.012","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020083","9.8057","0.0002","15.8032","0.0004","15.8658","0.0005","90","","93.859","0.001","90","","2453.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Trimethylsilyl-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C10 H14 N2 S Si -","- C10 H14 N2 S Si -","- C80 H112 N16 S8 Si8 -","8","2","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.1082","0.0493","","","0.1139","0.1376","","","","","","1.002","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020084","7.4534","0.0003","17.4357","0.0005","10.7079","0.0004","90","","101.479","0.004","90","","1363.71","0.09","100.4","0.6","100.4","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","DT3034","Rodríguez-Lugo, Rafael E.; Urdaneta, Neudo; Pribanic, Bruno; Landaeta, Vanessa R.","The solid-state emmissive chalcone (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014205","","","0.71073","MoKα","","0.0615","0.0497","","","0.1149","0.1209","","","","","","1.107","","","","has coordinates,has Fobs","153367","2020-10-21","18:00:00",""
"2020086","8.9219","0.0005","12.4145","0.0007","15.565","0.0009","89.659","0.003","79.993","0.004","76.92","0.003","1652.72","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)] tetrahydrofuran disolvate","","- C22 H48 B20 Co2 O2 -","- C22 H48 B20 Co2 O2 -","- C44 H96 B40 Co4 O4 -","2","1","KY3086","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0683","0.044","","","0.0991","0.1095","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","153455","2020-10-21","18:00:00",""
"2020087","43.247","0.005","8.8497","0.0009","13.4476","0.0014","90","","90.104","0.006","90","","5146.7","1","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>meso</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)]","","- C14 H32 B20 Co2 -","- C14 H32 B20 Co2 -","- C112 H256 B160 Co16 -","8","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0987","0.0873","","","0.1521","0.1565","","","","","","1.253","","","","has coordinates,has Fobs","153455","2020-10-21","18:00:00",""
"2020088","13.6198","0.0019","13.962","0.002","26.646","0.004","85.035","0.002","89.776","0.002","86.223","0.002","5037","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[sesqui(μ~2~-4,4'-bipyridine)bis(dimethylformamide)bis(μ~4~-4,4',4''-nitrilotribenzoato)trizinc(II)]","","- C63 H50 N7 O14 Zn3 -","- C63 H50 N7 O14 Zn3 -","- C126 H100 N14 O28 Zn6 -","2","1","YO3010","Zhao, Meng; Su, Jian; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","A zinc(II) metal‒organic framework with a novel topology formed from 4,4',4''-nitrilotribenzoate and 4,4'-bipyridine ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014813","","","0.71073","MoKα","","0.1003","0.0709","","","0.2014","0.2163","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","153456","2020-10-21","18:00:00",""
"2020089","23.198","0.003","26.327","0.003","7.288","0.001","90","","90","","90","","4451","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H16 N6 O -","- C8 H16 N6 O -","- C128 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0787","0.066","","","0.1531","0.1589","","","","","","1.136","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020090","23.178","0.002","26.3327","0.0017","7.3428","0.0005","90","","90","","90","","4481.6","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H16 N6 O -","- C9 H16 N6 O -","- C144 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0613","0.0519","","","0.1007","0.1034","","","","","","1.216","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020091","5.0318","0.0007","8.5779","0.0011","15.008","0.002","93.929","0.011","96.214","0.011","100.121","0.011","631.41","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-6-methyl-1,3,5-triazine‒2,6-dichlorophenol (1/1)","","- C10 H11 Cl2 N5 O -","- C10 H11 Cl2 N5 O -","- C20 H22 Cl4 N10 O2 -","2","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0484","0.0332","","","0.0766","0.0809","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","153656","2020-10-21","18:00:00",""
"2020092","8.1456","0.0005","9.2289","0.0006","14.9731","0.0009","90","","96.463","0.005","90","","1118.45","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminoisocytosine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H15 N5 O2 -","- C9 H15 N5 O2 -","- C36 H60 N20 O8 -","4","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0694","0.065","","","0.1752","0.179","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020093","8.106","0.0005","9.0448","0.0005","12.5656","0.0008","90","","102.859","0.005","90","","898.17","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aminoisocytosine‒2,6-dichloroaniline‒<i>N</i>,<i>N</i>-dimethylacetamide","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒2,6-dichloroaniline‒\ <i>N</i>,<i>N</i>-dimethylacetamide (1/1/1)","","- C14 H20 Cl2 N6 O2 -","- C14 H20 Cl2 N6 O2 -","- C28 H40 Cl4 N12 O4 -","2","1","","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0332","0.0305","","","0.079","0.08","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020094","24.174","0.005","9.85","0.002","7.6135","0.0015","90","","92.44","0.03","90","","1811.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[bis(nicotinic acid-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium(II)] monohydrate]","","- C14 H12 Cd N4 O5 S2 -","- C14 H12 Cd N4 O5 S2 -","- C56 H48 Cd4 N16 O20 S8 -","4","0.5","YO3012","Zhou, Lin; Wang, Hui-Ting","A two-dimensional cadmium(II) polymer based on nicotinic acid and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015156","","","0.71073","MoKα","","0.0377","0.03","","","0.0813","0.0854","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020095","11.144","","11.599","","13.529","","104.05","","97.18","","108.05","","1574.49","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","","- C26 H32 Cd2 N2 O17 -","- C26 H32 Cd2 N2 O17 -","- C52 H64 Cd4 N4 O34 -","2","1","OV3061","Liu, Fang; Zhang, Jing-Jing; Lei, Ming-Yuan; Zhang, Qing-Fu","A two-dimensional cadmium(II) coordination polymer based on 5-(pyridin-4-yl)isophthalic acid: poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","Acta Crystallographica Section C","2015","71","9","834","838","10.1107/S2053229615015612","","","0.71073","MoKα","","0.162","0.0743","","","0.1463","0.1951","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020096","5.4126","0.0002","12.7656","0.0005","22.6827","0.0008","90","","90","","90","","1567.26","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0479","0.0368","","","0.0746","0.0817","","","","","","1.06","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020097","7.5484","0.0007","9.9887","0.001","11.2112","0.001","100.624","0.008","98.405","0.007","95.661","0.008","815.01","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C32 H26 Cl2 N4 O8 S2 -","2","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0776","0.0442","","","0.0961","0.1168","","","","","","1.022","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020098","5.5652","0.0002","25.5022","0.0012","11.5536","0.0005","90","","97.8","0.004","90","","1624.57","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0563","0.0398","","","0.0911","0.1009","","","","","","1.037","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020099","11.8547","0.0005","13.5312","0.0004","15.3394","0.0006","91.849","0.003","98.378","0.003","94.991","0.003","2422.56","0.16","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline acetonitrile hemisolvate","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate","","- C25 H31.5 N3.5 P S -","- C25 H31.5 N3.5 P S -","- C100 H126 N14 P4 S4 -","4","2","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.059","0.0419","","","0.0485","0.0526","","","","","","1.45","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2020100","14.2245","0.0002","14.2802","0.0003","14.8887","0.0003","90","","109.293","0.0016","90","","2854.48","0.1","119.97","0.1","119.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline‒3-methylpiperidinium chloride (1/1)","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(4-methylphenyl)phosphorothioic triamide‒3-methylpiperidinium chloride (1/1)","","- C27 H38 Cl N4 P S -","- C27 H38 Cl N4 P S -","- C108 H152 Cl4 N16 P4 S4 -","4","1","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.0325","0.0288","","","0.0908","0.0941","","","","","","1.76","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020101","8.1452","0.0016","9.6282","0.0019","11.736","0.002","105.69","0.03","98.02","0.03","111.68","0.03","793.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaqua-1κ^2^<i>O</i>-tetrakis(μ~3~-pyridine-2,3-dicarboxylato)-2:1:2'κ^10^<i>N</i>,<i>O</i>^2^:O</i>^2'^,O</i>^3^:O</i>^3'^;2:1:2'κ^8^<i>O</i>^3^:O</i>^3'^:<i>N</i>,O</i>^2^-diiron(III)strontium(II)] dihydrate]","","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","1","0.5","WQ3100","Yang, Yongfeng; Li, Tao; Chen, Yanmei","The first three-dimensional Fe^III^‒Sr^II^ heterometallic coordination polymer: poly[[diaquatetrakis(μ~3~-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016617","","","0.71073","MoKα","","0.0395","0.0276","","","0.0654","0.0709","","","","","","1.019","","","","has coordinates","158187","2020-10-21","18:00:00",""
"2020102","10.9815","0.0009","10.8697","0.001","11.1525","0.0009","90","","111.135","0.009","90","","1241.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DABCO BrCF2CF2Br adduct","1,2-Dibromo-1,1,2,2-tetrafluoroethane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C8 H12 Br2 F4 N2 -","- C8 H12 Br2 F4 N2 -","- C32 H48 Br8 F16 N8 -","4","0.5","YF3093","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016472","","","0.71073","MoKα","","0.0519","0.0367","","","0.0622","0.0688","","","","","","1.029","","","","has coordinates,has Fobs","158188","2020-10-21","18:00:00",""
"2020103","7.7531","0.001","15.2639","0.0019","16.29","0.002","100.775","0.001","98.323","0.001","99.464","0.001","1837.1","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Diaqua[1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pent-1-en-3-ol]cobalt(II) dinitrate dihydrate","","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","1","0.5","LF3016","Xi, Teng; Li, Jie; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","A new Co^II^ complex of diniconazole: synthesis, crystal structure and antifungal activity","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016241","","","0.71073","MoKα","","0.0402","0.0341","","","0.1149","0.1339","","","","","","1.106","","","","has coordinates,has Fobs","158189","2020-10-21","18:00:00",""
"2020104","13.0174","0.0004","14.3273","0.0008","24.1557","0.0013","80.946","0.004","79.029","0.004","87.039","0.003","4366.6","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[K(222)][Fe(TpivPP)Cl](C6H14)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(I) [5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato]iron(II) n-hexane monosolvate","","- C88 H114 Cl Fe K N10 O10 -","- C88 H114 Cl Fe K N10 O10 -","- C176 H228 Cl2 Fe2 K2 N20 O20 -","2","1","FN3203","Yu, Qiang; Liu, Diansheng; Li, Xiangjun; Li, Jianfeng","A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-pivalamidophenyl)porphyrinato]ferrate(II) <i>n</i>-hexane monosolvate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015478","","","0.71073","MoKα","","0.1262","0.0685","","","0.1411","0.1681","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2020105","11.5408","0.0002","11.7953","0.0002","9.7964","0.0002","90","","110.299","0.002","90","","1250.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acrylamido-2,2,6,6-tetramethylpiperidine-1-oxyl","","- C12 H21 N2 O2 -","- C12 H21 N2 O2 -","- C48 H84 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.038","0.0341","","","0.0831","0.087","","","","","","1.035","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020106","11.9763","0.0003","10.3132","0.0002","11.855","0.0003","90","","114.527","0.003","90","","1332.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate","","- C12 H24 N2 O2 -","- C12 H24 N2 O2 -","- C48 H96 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.0727","0.0567","","","0.13","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020107","14.1011","0.001","14.1011","0.001","10.085","0.0009","90","","90","","120","","1736.7","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V)","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0292","0.0263","","","0.0635","0.0649","","","","","","1.051","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020108","14.0782","0.001","14.0782","0.001","10.623","0.0008","90","","90","","120","","1823.4","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)caesium hexachloridoantimonate(V)","","- C12 H24 Cl6 Cs O6 Sb -","- C12 H24 Cl6 Cs O6 Sb -","- C36 H72 Cl18 Cs3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0353","0.031","","","0.0761","0.0789","","","","","","1.09","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020109","14.1069","0.0009","14.1069","0.0009","10.1908","0.0008","90","","90","","120","","1756.3","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","Ammonium hexachloridoantimonate(V)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C12 H28 Cl6 N O6 Sb -","- C12 H28 Cl6 N O6 Sb -","- C36 H84 Cl18 N3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0236","0.0217","","","0.0547","0.0556","","","","","","1.135","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020110","5.6396","0.0004","16.3917","0.0011","16.9602","0.0012","69.427","0.004","89.995","0.005","87.286","0.005","1465.98","0.18","100","2","100","2","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-Amphetamine hydrochloride","(2<i>S</i>)-1-Phenylpropan-2-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C54 H84 Cl6 N6 -","6","6","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71073","MoKα","","0.0638","0.0547","","","0.1252","0.1293","","","","","","1.031","","","","has coordinates,has Fobs","158193","2020-10-21","18:00:00",""
"2020111","5.2366","0.0004","8.4264","0.0005","11.3895","0.0008","90","","94.079","0.002","90","","501.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>S</i>)-Amphetamine hydrobromide","(2<i>S</i>)-1-Phenylpropan-2-aminium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C18 H28 Br2 N2 -","2","1","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71069","MoKα","","0.02","0.0197","","","0.0513","0.0515","","","","","","1.082","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020112","7.6647","0.0005","26.6935","0.0014","7.535","0.0005","90","","111.787","0.007","90","","1431.52","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~2~-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^)dicadmium(II)] dihydrate]","","- C20 H28 Cd2 N10 O14 -","- C20 H28 Cd2 N10 O14 -","- C40 H56 Cd4 N20 O28 -","2","0.5","LF3020","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0365","0.0301","","","0.0734","0.0767","","","","","","1.106","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020113","7.0219","0.0014","8.4215","0.0017","10.913","0.002","81.75","0.03","84.05","0.03","75.12","0.03","615.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~2~-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~3~-pyrazine-2,3-dicarboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3'^)dicadmium(II)] dihydrate]","","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","1","0.5","","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0469","0.0294","","","0.0649","0.0704","","","","","","0.944","","","","has coordinates,has Fobs","158194","2020-10-21","18:00:00",""
"2020114","7.334","0.0001","9.911","0.0001","12.68","0.0002","90","","96.649","0.001","90","","915.48","0.02","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetyl-4-hydroxycoumarin","3-Acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","QS3049","Ghouili, Afef; Brahmia, Ameni; Ben Hassen, Rached","Polymorphism in 3-acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016083","","","0.71073","MoKα","","0.1017","0.0561","","","0.1651","0.1987","","","","","","1.047","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020115","14.46","0.003","21.116","0.004","19.607","0.004","90","","94","0.03","90","","5972","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis[6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolato-1:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;3:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]trizinc(II) hexafluoridophosphate methanol monosolvate","","- C57 H56 F12 N8 O5 P2 Zn3 -","- C57 H56 F12 N8 O5 P2 Zn3 -","- C228 H224 F48 N32 O20 P8 Zn12 -","4","1","YO3013","Kim, Young-Inn; Song, Young-Kwang; Kim, Daeyoung; Kang, Sung Kwon","Photoluminescence properties of a cationic trinuclear zinc(II) complex with the tetradentate Schiff base ligand 6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615017015","","","0.71073","MoKα","","0.1872","0.0709","","","0.1629","0.2137","","","","","","1.01","","","","has coordinates,has Fobs","158197","2020-10-21","18:00:00",""
"2020116","13.6864","0.0005","20.6309","0.0009","14.1328","0.0008","90","","90","","90","","3990.6","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(tetraethylammonium) dichloride dodecachlorohexasilane","","- C16 H40 Cl14 N2 Si6 -","- C16 H40 Cl14 N2 Si6 -","- C64 H160 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0597","0.0375","","","0.0645","0.0702","","","","","","1.016","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020117","11.1071","0.0009","14.3992","0.0012","16.7434","0.0012","89.672","0.006","88.689","0.006","89.854","0.006","2677.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrabutylammonium tributylmethylammonium dichloride dodecachlorohexasilane","","- C29 H66 Cl14 N2 Si6 -","- C29 H66 Cl14 N2 Si6 -","- C58 H132 Cl28 N4 Si12 -","2","1","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0874","0.053","","","0.121","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020118","15.4687","0.0004","18.5439","0.0005","22.8784","0.0007","90","","90","","90","","6562.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetrabutylammonium) dichloride dodecachlorohexasilane benzene disolvate","","- C44 H84 Cl14 N2 Si6 -","- C44 H84 Cl14 N2 Si6 -","- C176 H336 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0745","0.0578","","","0.1398","0.1499","","","","","","1.079","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020119","11.0097","0.0017","12.7082","0.0018","13.0269","0.0018","61.618","0.01","72.804","0.011","71.605","0.011","1498.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzyltriphenylphosphonium) dichloride dodecachlorohexasilane","","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","1","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.136","0.0711","","","0.1426","0.165","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","158198","2020-10-21","18:00:00",""
"2020120","4.701","0.0003","4.701","0.0003","7.5431","0.0011","90","","90","","120","","144.36","0.02","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lanthanum trilithium dibismuthide","","- Bi2 La Li3 -","- Bi2 La Li3 -","- Bi2 La Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0131","0.0125","","","0.0259","0.0261","","","","","","1.156","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020121","4.679","0.0006","4.679","0.0006","7.4776","0.0017","90","","90","","120","","141.77","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cerium trilithium dibismuthide","","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0138","0.0126","","","0.026","0.0261","","","","","","1.171","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020122","4.6672","0.0007","4.6672","0.0007","7.435","0.002","90","","90","","120","","140.26","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Praseodymium trilithium dibismuthide","","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0155","0.0147","","","0.0268","0.0269","","","","","","1.221","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020123","4.6596","0.0008","4.6596","0.0008","7.422","0.002","90","","90","","120","","139.56","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Neodymium trilithium dibismuthide","","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0247","0.0218","","","0.0412","0.0419","","","","","","1.132","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020124","4.6398","0.0005","4.6398","0.0005","7.3624","0.0016","90","","90","","120","","137.26","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Samarium trilithium dibismuthide","","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0162","0.0154","","","0.0336","0.0342","","","","","","1.17","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020125","4.6188","0.0007","4.6188","0.0007","7.328","0.002","90","","90","","120","","135.39","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gadolinium trilithium dibismuthide","","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0266","0.0233","","","0.0467","0.0475","","","","","","1.084","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020126","4.6165","0.0009","4.6165","0.0009","7.3087","0.0014","90","","90","","120","","134.9","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Terbium trilithium dibismuthide","","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0185","0.0184","","","0.0393","0.0394","","","","","","1.174","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020129","4.8929","0.0003","4.4195","0.0002","14.1348","0.0007","90","","92.721","0.003","90","","305.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Iodouracil","5-Iodo-1<i>H</i>-pyrimidine-2,4-dione","","- C4 H3 I N2 O2 -","- C4 H3 I N2 O2 -","- C8 H6 I2 N4 O4 -","2","1","SK3601","Lutz, Martin; de Klein, Thomas J. S.; Huijben, Jeroen","5-Iodouracil: structure of a reflection twin","Acta Crystallographica Section C","2015","71","10","912","915","10.1107/S2053229615017167","","","0.71073","MoKα","","0.0211","0.0189","","","0.0449","0.0455","","","","","","1.087","","","","has coordinates,has Fobs","159066","2020-10-21","18:00:00",""
"2020130","12.4152","0.001","8.9071","0.0006","16.5072","0.0012","90","","107.194","0.002","90","","1743.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-cyano-5-oxo-5-phenyl-3-(piperidin-1-yl)pent-2-enoate","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","FN3205","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.101","0.0518","","","0.1198","0.1403","","","","","","1.024","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020131","8.3337","0.0007","8.6333","0.0007","24.7075","0.0019","90","","90","","90","","1777.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-cyano-5-(4-methoxyphenyl)-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0809","0.0472","","","0.0976","0.1096","","","","","","1.013","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020132","4.952","0.0003","13.6151","0.0007","25.8916","0.0015","90","","90","","90","","1745.66","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-(4-chlorophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C19 H21 Cl N2 O3 -","- C19 H21 Cl N2 O3 -","- C76 H84 Cl4 N8 O12 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0405","0.0336","","","0.0808","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020133","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ca S O4 (H2 O).8","","- Ca H1.6 O4.8 S -","- Ca H1.6 O4.8 S -","- Ca3 H4.8 O14.4 S3 -","3","0.5","","Abriel, W.","Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8","Acta Crystallographica C (39,1983-)","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020134","5.875","","3.565","","6.781","","90","","90","","90","","142.024","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb D2","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Lebech, B.; Andersen, N.H.; Steenstrup, S.; Schroder Pedersen, A.","Neutron diffraction studies of ytterbium dihydride: The crystal structure at 300 K","Acta Crystallographica C (39,1983-)","1983","39","","1475","1480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020135","10.576","","12.551","","10.027","","115.06","","99.51","","62.32","","1066.88","","","","","","","","","","","","","5","P -1","-P 1","2","","Na5 (H3 Pt W6 O24) (H2 O)20","","- H43 Na5 O44 Pt W6 -","- Na5 O44 Pt W6 -","- Na5 O44 Pt W6 -","1","0.5","","Lee, U.; Kobayashi, A.; Sasaki, Y.","Structure of Pentasodium Trihydrogenhexatungstoplatinate(IV) Icosahydrate, Na5 (H3 Pt W6 O24) (H2 O)20","Acta Crystallographica C (39,1983-)","1983","39","","817","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020136","12.257","","12.212","","14.79","","82.28","","73.75","","78.12","","2072.89","","","","","","","","","","","","","5","P -1","-P 1","2","","Cd3 Ca Cl8 (H2 O)8.5","","- Ca Cd3 Cl8 H17 O8.5 -","- Ca Cd3 Cl8 O8.5 -","- Ca4 Cd12 Cl32 O34 -","4","2","","Leligny, H.; Monier, J.C.","Structure de l'octachlorure de tricadmium et de calcium 8.5-hydrate, ((Ca (H2 O)7) (Cd6 Cl16 (H2 O)2)n (H2 O))2","Acta Crystallographica C (39,1983-)","1983","39","","947","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020137","6.66","","6.66","","11.65","","90","","90","","108.12","","491.116","","","","","","","","","","","","","2","B 1 1 b","B -2b","9","","","","- Ga2 Se3 -","- Ga2 Se3 -","- Ga8 Se12 -","4","1","","Ghemard, G.; Jaulmes, S.; Etienne, J.; Flahaut, J.","Structure de la phase ordonnee du sesquiseleniure de gallium, Ga2 Se3","Acta Crystallographica C (39,1983-)","1983","39","","968","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020138","13.122","","21.457","","13.223","","90","","91.71","","90","","3721.39","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","((C H3)4 N)6 (H2 W12 O40) (H2 O)9","","- C24 H92 N6 O49 W12 -","- C24 N6 O49 W12 -","- C48 N12 O98 W24 -","2","1","","Asami, M.; Sasaki, Y.; Ichida, H.","The crystal structure of hexakis(tetramethylammonium) dihydrogen dodecatungstate enneahydrate, ((C H3)4 N)6 (H2 W12 O40) * 9(H2 O)","Acta Crystallographica C (39,1983-)","1984","40","","35","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","161558","2020-10-21","18:00:00",""
"2020140","9.2636","","7.2859","","12.7193","","90","","90","","90","","858.472","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (Zn Cl4)","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Secco, A.S.; Trotter, J.","Structure of Rubidium Tetrachlorozincate(II), Rb2 (Zn Cl4)","Acta Crystallographica C (39,1983-)","1983","39","","317","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020141","20.3475","","5.9114","","14.7733","","90","","104.38","","90","","1721.29","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K5 (H S O3)3 (S2 O5)","","- H3 K5 O14 S5 -","- H3 K5 O14 S5 -","- H12 K20 O56 S20 -","4","0.5","","Magnusson, A.; Johansson, L.G.; Lindqvist, O.","Pentapotassium Disulfite Tris(hydrogensulfite), K5 (H S O3)3 (S2 O5)","Acta Crystallographica C (39,1983-)","1983","39","","819","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","161952","2020-10-21","18:00:00",""
"2020142","6.988","","13.569","","15.431","","90","","90","","90","","1463.17","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg3 O2 (N O3)2","","- Hg3 N2 O8 -","- Hg3 N2 O8 -","- Hg24 N16 O64 -","8","1","","Behm, H.","Trimercury Dinitrate Dioxide, Hg3 O2 (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1319","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","162229","2020-10-21","18:00:00",""
"2020143","12.41","","6.22","","10.88","","90","","90","","90","","839.829","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ga2 Sn2 S5","","- Ga2 S5 Sn2 -","- Ga2 S5 Sn2 -","- Ga8 S20 Sn8 -","4","1","","Mazurier, A.; Thevet, F.; Jaulmes, S.","Structure de pentasulfure de digallium et de dietain, Ga2 Sn2 S5","Acta Crystallographica C (39,1983-)","1983","39","","814","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","162365","2020-10-21","18:00:00",""
"2020144","3.3387","","14.298","","6.3961","","90","","105.1","","90","","294.787","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li (N O2) (H2 O)","","- H2 Li N O3 -","- H2 Li N O3 -","- H8 Li4 N4 O12 -","4","1","","Hermansson, K.; Thomas, J.O.","The structure and electron deformation density of Li N O2 (H2 O) at 295K","Acta Crystallographica C (39,1983-)","1983","39","","930","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020145","13.8937","","9.6258","","10.9127","","90","","95.66","","90","","1452.33","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Al (N O3)3 (D2 O)9","","- Al D18 N3 O18 -","- Al D18 N3 O18 -","- Al4 D72 N12 O72 -","4","1","","Hermansson, K.","A Neutron Diffraction Determination of the Structure of Deuterated Aluminium Nitrate Nonahydrate, Al (N O3)3 (D2 O)9","Acta Crystallographica C (39,1983-)","1983","39","","925","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020146","11.085","","13.76","","8.919","","90","","90","","90","","1360.41","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","(H3 O) Sb (S O4)2","","- H3 O9 S2 Sb -","- O9 S2 Sb -","- O72 S16 Sb8 -","8","2","","Mercier, R.; Douglade, J.; Sheldrick, G.M.; Jones, P.G.","Structure of an Oxonium Antimony(III) Sulphate, (H3 O)2 Sb2 (S O4)4","Acta Crystallographica C (39,1983-)","1983","39","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2020147","15.712","","7.772","","9.732","","90","","123.28","","90","","993.51","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Co (N H3)6) I3 (I2)2","","- Co H18 I7 N6 -","- Co H18 I7 N6 -","- Co2 H36 I14 N12 -","2","0.25","","Tebbe, K. F.","Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co (N H3)6) I3 I4","Acta Crystallographica C (39,1983-)","1983","39","","154","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020148","6.635","","7.114","","6.548","","114.41","","95.52","","100.33","","271.836","","","","","","","","","","","","","5","P -1","-P 1","2","","(Pt Cl2 (N H3)4) (N O3)2","","- Cl2 H12 N6 O6 Pt -","- Cl2 H12 N6 O6 Pt -","- Cl2 H12 N6 O6 Pt -","1","0.5","","Britten, J.F.; Lock, C.J.L.","Trans-Tetraamminedichloroplatinum(IV)Dinitrate, (Pt Cl2 (N H3)4) (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1589","1591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020149","9.4245","","9.9759","","7.8877","","110.58","","103.27","","97.8","","656.388","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba3 Te4 O11","","- Ba3 O11 Te4 -","- Ba3 O11 Te4 -","- Ba6 O22 Te8 -","2","1","","Hottentot, D.; Loopstra, B.O.","The Structure of Tribarium Tetratellurate(IV), Ba3 Te4 O11","Acta Crystallographica C (39,1983-)","1983","39","","320","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","163048","2020-10-21","18:00:00",""
"2020150","14.751","","11.695","","5.106","","90","","90.23","","90","","880.844","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb3 Ge Ga10 O20","","- Ga10 Ge O20 Pb3 -","- Ga10 Ge O20 Pb3 -","- Ga20 Ge2 O40 Pb6 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020151","15.443","","11.9068","","5.2473","","90","","90.945","","90","","964.725","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ba3 Sn Fe10 O20","","- Ba3 Fe10 O20 Sn -","- Ba3 Fe10 O20 Sn -","- Ba6 Fe20 O40 Sn2 -","2","0.25","","Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.","Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20","Acta Crystallographica C (39,1983-)","1983","39","","921","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2020152","10.78","","4.03","","19.95","","90","","90","","90","","866.696","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga La3 O S5 -","- Ga La3 O S5 -","- Ga4 La12 O4 S20 -","4","0.5","","Jaulmes, S.; Guittard, M.; Mazurier, A.","Structure de l'Oxypentasulfur de Gallium et de Trilanthane, Ga La3 O S5","Acta Crystallographica C (39,1983-)","1983","39","","1594","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020153","20.076","","7.323","","4.1164","","90","","90","","90","","605.179","","","","","","","","","","","","","3","P b a n :2","-P 2ab 2b","50","","U Mo2 O8","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo8 O32 U4 -","4","0.5","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.; Herrick, C.C.","Orthorombic Uranium(IV) Molybdenum(VI) Oxide, U Mo2 O8","Acta Crystallographica C (39,1983-)","1983","39","","1163","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020154","10.318","","9.737","","14.475","","90","","90","","90","","1454.25","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo16 O64 Th8 -","8","1","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.","Orthorombic thorium(IV) molybdate, Th (Mo O4)2","Acta Crystallographica C (39,1983-)","1983","39","","1165","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020155","3.615","","3.615","","5.88","","90","","90","","120","","66.546","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- C O -","- C0.9996 O0.9996 -","- C1.9992 O1.9992 -","2","0.0833333","","Cromer, D.T.; Mills, R.; Schiferl, D.; le Sar, R.","Room-Temperature Structure of Carbon Monoxide at 2.7 and 3.6 GPa","Acta Crystallographica C (39,1983-)","1983","39","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020156","10.359","","8.1","","8.687","","90","","113.81","","90","","666.87","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S4 N4 O2","","- N4 O2 S4 -","- N4 O2 S4 -","- N16 O8 S16 -","4","1","","Jones, P.G.; Pinkert, W.; Sheldrick, G.M.","Redetermination of the Structure of Tetrasulphurtetranitrogen Dioxide, S4 N4 O2","Acta Crystallographica C (39,1983-)","1983","39","","827","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","163905","2020-10-21","18:00:00",""
"2020157","5.77","","4.619","","12.819","","90","","90.12","","90","","341.646","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4) (Be F3)","","- Be F3 H4 N -","- Be F3 H4 N -","- Be4 F12 H16 N4 -","4","2","","Waskowska, A.","Ammonium trifluoroberyllate(II), (N H4) (Be F3), at room temperature","Acta Crystallographica C (39,1983-)","1983","39","","1167","1169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020158","10.862","","8.426","","7.001","","128.27","","99.21","","88.84","","493.992","","","","","","","","","","","","","4","P -1","-P 1","2","","Na5 H2 (P O4) (P2 O7)","","- H2 Na5 O11 P3 -","- H2 Na5 O11 P3 -","- H4 Na10 O22 P6 -","2","1","","Wiench, D.M.; Jansen, M.","Structure of Pentasodium Dihydrogen Orthophosphate Diphosphate (V) Na5 H2 (P O4) (P2 O7)","Acta Crystallographica C (39,1983-)","1983","39","","1613","1615","","","","","","","","","","","","","","","","","","","","","","has coordinates","164354","2020-10-21","18:00:00",""
"2020159","9.88","","7.248","","24.171","","90","","98.46","","90","","1712.06","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni (S O4) (D2 O)6","","- D12 Ni O10 S -","- Ni O10 S -","- Ni8 O80 S8 -","8","1","","Ptasiewicz-Bak, H.; McIntyre, G.J.; Olovsson, I.","Structure of Monoclinic Nickel Sulphate Hexadeuterate, Ni S O4 (D2 O)6","Acta Crystallographica C (39,1983-)","1983","39","","966","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020160","5.07","","5.07","","38.40799","","90","","90","","120","","855.004","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Ba Ce F (C O3)2","","- C2 Ba Ce F O6 -","- C2 Ba Ce F O6 -","- C12 Ba6 Ce6 F6 O36 -","6","0.333333","","Fan, H.-F.; Yao, J.-X.; Main, P.; Woolfson, M.M.","On the application of phase relationships to complex structures. XXIII. Automatic determination of crystal structures having pseudo-translational symmetry by a modified MULTAN procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020161","6.0704","","6.0704","","15.3758","","90","","90","","120","","490.685","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba3 Sr Nb2 O9","","- Ba3 Nb2 O9 Sr -","- Ba3 Nb2 O9 Sr -","- Ba6 Nb4 O18 Sr2 -","2","0.166667","","Zandbergen, H.B.; Ijdo, D.J.W.","Barium strontium niobate and barium strontium tantalate, Ba3 Sr Nb2 O9 and Ba3 Sr Ta2 O9, a Rietveld refinement of neutron powder diffraction data","Acta Crystallographica C (39,1983-)","1983","39","","829","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020162","6.0776","","6.0776","","15.336","","90","","90","","120","","490.577","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba3 Sr Ta2 O9","","- Ba3 O9 Sr Ta2 -","- Ba3 O9 Sr Ta2 -","- Ba6 O18 Sr2 Ta4 -","2","0.166667","","Zandbergen, H.B.; Ijdo, D.J.W.","Barium Strontium Niobate and Barium Strontium Tantalate, Ba3 Sr Nb2 O9 and Ba3 Sr Ta2 O9, a Rietveld Refinement of Neutron Powder Diffraction Data","Acta Crystallographica C (39,1983-)","1983","39","","829","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020164","7.341","","8.579","","11.975","","90","","101.98","","90","","737.741","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K H2 P O3","","- H2 K O3 P -","- H2 K O3 P -","- H16 K8 O24 P8 -","8","2","","Kratochvil, B.; Podlahova, J.; Hasek, J.","Structure of Potassium Dihydrogenphosphite, K H2 P O3","Acta Crystallographica C (39,1983-)","1983","39","","326","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020165","6.846","","7.557","","8.81","","71.59","","82.8","","81.09","","425.82","","","","","","","","","","","","","5","P -1","-P 1","2","","Ca Cs (N3)3 (H2 O)","","- Ca Cs H2 N9 O -","- Ca Cs H2 N9 O -","- Ca2 Cs2 H4 N18 O2 -","2","1","","Krischner, H.; Mautner, F.A.; Kratky, C.","Calcium Cesium Triazide Monohydrate, Ca Cs (N3)3 (H2 O)","Acta Crystallographica C (39,1983-)","1983","39","","941","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020166","9.307","","11.747","","6.776","","91.11","","112.24","","109.15","","638.972","","","","","","","","","","","","","4","P -1","-P 1","2","","(Nd (N O3)3 (H2 O)4) (H2 O)2","","- H12 N3 Nd O15 -","- H12 N3 Nd O15 -","- H24 N6 Nd2 O30 -","2","1","","Rogers, D.J.; Taylor, N.J.; Toogood, G.E.","Tetraaquatrinitratoneodymium(III) Dihydrate, (Nd (N O3)3 (H2 O)4) (H2 O)2","Acta Crystallographica C (39,1983-)","1983","39","","939","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020167","10.4109","","10.4109","","10.4109","","90","","90","","90","","1128.41","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Pb2 Ti Sb O6.5","","- O6.4985 Pb1.966 Sb Ti -","- O6.4985 Pb1.966 Sb Ti -","- O51.988 Pb15.728 Sb8 Ti8 -","8","0.0833333","","Alonso, J.A.; Cascales, C.; Rasines, I.","Oxygen vacancy ordering in the defect pyrochlore Pb2 (Ti Sb) O6.5: A Rietveld refinement of neutron powder diffraction data","Acta Crystallographica C (39,1983-)","1989","45","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020168","11.441","","6.958","","12.017","","90","","91.7","","90","","956.21","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cd Mg (N O2)4 (H2 O)2","","- Cd H4 Mg N4 O10 -","- Cd H4 Mg N4 O10 -","- Cd4 H16 Mg4 N16 O40 -","4","0.5","","Aoyama, T.; Ohba, S.; Saito, Y.","Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.","Acta Crystallographica C (39,1983-)","1988","44","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020169","7.5003","","7.5003","","18.413","","90","","90","","120","","897.041","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","Cd Ca (N O2)4 (H2 O)4","","- Ca Cd H8 N4 O12 -","- Ca Cd H8 N4 O12 -","- Ca3 Cd3 H24 N12 O36 -","3","0.5","","Aoyama, T.; Saito, Y.; Ohba, S.","Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.","Acta Crystallographica C (39,1983-)","1988","44","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020170","7.6379","","7.6379","","18.707","","90","","90","","120","","945.111","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Cd Sr (N O2)4 (H2 O)4","","- Cd H8 N4 O12 Sr -","- Cd H8 N4 O12 Sr -","- Cd3 H24 N12 O36 Sr3 -","3","0.5","","Aoyama, T.; Ohba, S.; Saito, Y.","Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.","Acta Crystallographica C (39,1983-)","1988","44","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020171","6.62","","9.858","","8.066","","90","","90","","90","","526.387","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Zr F5 H3 O (H2 O)","","- F5 H5 O2 Zr -","- F5 O2 Zr -","- F20 O8 Zr4 -","4","0.25","","Charpin, P.; Lance, M.; Nierlich, M.; Vigner, J.; Lambard, J.","Structures of oxonium pentafluorozirconate mono- and dihydrates.","Acta Crystallographica C (39,1983-)","1988","44","","1698","1701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020172","10.171","","6.603","","18.155","","90","","106.29","","90","","1170.32","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","(H3 O) (Zr F5) (H2 O)2","","- F5 H7 O3 Zr -","- F5 O3 Zr -","- F40 O24 Zr8 -","8","2","","Charpin, P.; Lance, M.; Nierlich, M.; Vigner, J.; Lambard, J.","Structures of oxonium pentafluorozirconate mono- and dihydrates.","Acta Crystallographica C (39,1983-)","1988","44","","1698","1701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020173","19.283","","11.48","","8.106","","90","","90","","90","","1794.42","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K3 (Pt (B7 O11 (O H)5) (O H) ) (H2 O)3","","- B7 H12 K3 O20 Pt -","- B7 K3 O20 Pt -","- B28 K12 O80 Pt4 -","4","0.5","","Behm, H.","Structure of tripotassium monohydroxo(pentahydroxoundecaoxo heptaborato) platinate(IV) trihydrate","Acta Crystallographica C (39,1983-)","1988","44","","1348","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020174","9.427","","9.427","","9.427","","90","","90","","90","","837.762","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Sr4 (Cr Al6 O16)","","- Al6 Cr O16 Sr4 -","- Al6 Cr O15.9996 Sr4 -","- Al12 Cr2 O31.9992 Sr8 -","2","0.0416667","","Depmeier, W.; Werk, M.L.; Schmid, H.; Setter, N.","Structure of cubic aluminate sodalite, Sr8 (Al12 O24) (Cr O4)2","Acta Crystallographica C (39,1983-)","1987","43","","2251","2255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020175","7.037","","11.801","","6.137","","90","","112.99","","90","","469.16","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb As2 O4","","- As2 O4 Pb -","- As2 O4 Pb -","- As8 O16 Pb4 -","4","1","","Dinterer, F.; Kugler, A.; Effenberger, H.; Pertlik, F.; Spindler, P.; Wildner, M.","Structure of lead(II) arsenate(III)","Acta Crystallographica C (39,1983-)","1988","44","","2043","2045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020176","4.564","","8.3878","","10.5086","","90","","103.13","","90","","391.772","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Si H3 I","","- H3 I Si -","- H3 I Si -","- H12 I4 Si4 -","4","1","","Blake, A.J.; Henderson, S.G.D.; Ebsworth, E.A.V.; Welch, A.J.","Structure of silyl iodide at 116K","Acta Crystallographica C (39,1983-)","1988","44","","1337","1339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020177","7.167","","7.575","","7.85","","109.89","","107.27","","106.15","","346.899","","","","","","","","","","","","","4","P -1","-P 1","2","","Na H2 (As3 O9)","","- As3 H2 Na O9 -","- As3 H2 Na O9 -","- As6 H4 Na2 O18 -","2","1","","Driss, A.; Jouini, T.","Structure de Na H2 As3 O9: Un nouvel anion arseniate condense","Acta Crystallographica C (39,1983-)","1988","44","","1507","1510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020178","8.647","","8.807","","24.328","","90","","90","","90","","1852.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li2.08 Ti.92 In1.08 (P O4)3","","- In1.08 Li2.08 O12 P3 Ti0.92 -","- In1.08 Li2 O12 P3 Ti0.92 -","- In8.64 Li16 O96 P24 Ti7.36 -","8","1","","Duc Tran Qui; Hamdoune, S.","Structure of the orthorhombic phase of Li1+x Ti2-x Inx P3 O12, x=1.08","Acta Crystallographica C (39,1983-)","1988","44","","1360","1362","","","","","","","","","","","","","","","","","","","","","","has coordinates","166157","2020-10-21","18:00:00",""
"2020179","10.435","","10.367","","7.961","","90","","90","","90","","861.218","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","(Zn (H2 O)6) (Zn2 Br6)","","- Br6 H12 O6 Zn3 -","- Br6 H12 O6 Zn3 -","- Br12 H24 O12 Zn6 -","2","0.125","","Duhlev, R.; Brown, I.D.; Faggiani, R.","Zinc bromide dihydrate Zn Br2 * 2(H2 O): a doublesalt structure.","Acta Crystallographica C (39,1983-)","1988","44","","1696","1698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020180","7.717","","13.225","","14.549","","90","","90","","90","","1484.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cu Fe2 (O H)2 (As O4)2","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As16 Cu8 Fe16 H16 O80 -","8","1","","Effenberger, H.","Structure of copper(II) diiron(III) dihydroxide diarsenate(V)","Acta Crystallographica C (39,1983-)","1988","44","","2041","2043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020181","7.46","","10.274","","6.343","","90","","110.8","","90","","454.468","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H2 N N C (N H N H2)2","","- C H8 N6 -","- C H8 N6 -","- C4 H32 N24 -","4","1","","Bracuti, A.J.","Structure of 1,2,3-Triaminoguanidine (TAG)","Acta Crystallographica C (39,1983-)","1986","42","","1887","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020182","10.713","","4.801","","6.284","","90","","90","","90","","323.206","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li Cd (P O4)","","- Cd Li O4 P -","- Cd Li O4 P -","- Cd4 Li4 O16 P4 -","4","1","","Elammari, L.; Elouadi, B.; Depmeier, W.","Structure of Li Cd P O4","Acta Crystallographica C (39,1983-)","1988","44","","1357","1359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020183","7.277","","7.277","","9.656","","90","","90","","120","","442.826","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba (Cl O4)2 (H2 O)3","","- Ba Cl2 H6 O11 -","- Ba Cl2 H6 O11 -","- Ba2 Cl4 H12 O22 -","2","0.166667","","Gallucci, J.C.; Gerkin, R.E.","Structure of barium perchlorate trihydrate","Acta Crystallographica C (39,1983-)","1988","44","","1873","1876","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020184","7.817","","7.817","","5.235","","90","","90","","120","","277.03","","","","","","","","","","","","","4","P -3","-P 3","147","","Ni (Br O4)2 (H2 O)6","","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","1","0.166667","","Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.","Structure of nickel(II) perbromate hexahydrate at 169K","Acta Crystallographica C (39,1983-)","1988","44","","1345","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020185","9.878","","7.214","","24.065","","90","","98.37","","90","","1696.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni (S O4) (H2 O)6","","- H12 Ni O10 S -","- H12 Ni O10 S -","- H96 Ni8 O80 S8 -","8","1","","Gerkin, R.E.; Reppart, W.J.","Structure of monoclinic nickel(II) sulfate hexahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1486","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020186","15.509","","9.132","","18.021","","90","","125.306","","90","","2082.86","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Al Fe (Mo O4)3","","- Al Fe Mo3 O12 -","- Al Fe Mo3 O12 -","- Al8 Fe8 Mo24 O96 -","8","2","","Harrison, W.T.A.; Cheetham, A.K.","The structure of aluminium iron molybdate","Acta Crystallographica C (39,1983-)","1989","45","","178","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020188","9.4842","","9.4842","","21.006","","90","","90","","120","","1636.35","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Rb3 Mo15 Se17","","- Mo15 Rb3 Se17 -","- Mo15 Rb3 Se17 -","- Mo30 Rb6 Se34 -","2","0.166667","","Gougeon, P.; Potel, M.; Sergent, M.","Structure of Rb3Mo15Se17 Containing the New Mo15 Clusters","Acta Crystallographica C (39,1983-)","1989","45","","182","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","166606","2020-10-21","18:00:00",""
"2020189","14.512","","6.526","","8.844","","90","","98.35","","90","","828.695","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","La3 (Si O4)2 Cl","","- Cl La3 O8 Si2 -","- Cl La3 O8 Si2 -","- Cl4 La12 O32 Si8 -","4","0.5","","Gravereau, P.; Es-Sakhi, B.; Fouassier, C.","La3 (Si O4)2 Cl: A new structural type of rare-earth chloroorthosilicate","Acta Crystallographica C (39,1983-)","1988","44","","1884","1887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020190","6.466","","9.48","","7.871","","104.29","","101.35","","109.1","","421.021","","","","","","","","","","","","","4","P -1","-P 1","2","","Co7 (H P O4)4 (P O4)2","","- Co7 H4 O24 P6 -","- Co7 H4 O24 P6 -","- Co7 H4 O24 P6 -","1","0.5","","Lightfoot, P.; Cheetham, A.K.","The synthesis and structure of heptacobalt tetrakis (hydrogenphosphate) bis(phosphate)","Acta Crystallographica C (39,1983-)","1988","44","","1331","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020191","10.432","","15.468","","11.672","","90","","102.11","","90","","1841.51","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K6 (Mo8 O26 (N C S)2) (H2 O)6","","- C2 H12 K6 Mo8 N2 O32 S2 -","- C2 K6 Mo8 N2 O32 S2 -","- C4 K12 Mo16 N4 O64 S4 -","2","0.5","","Kamenar, B.; Penavic, M.; Markovic, B.","Structure of potassium bis(thiocyanato)octamolybdate(VI) hexahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1521","1523","","","","","","","","","","","","","","","","","","","","","","has coordinates","167294","2020-10-21","18:00:00",""
"2020192","15.636","","14.627","","3.847","","90","","90","","97.38","","872.55","","","","","","","","","","","","","3","P 1 1 2/m","-P 2","10","","In11 Sn5.5 S22","","- In11 S22 Sn5.5 -","- In11 S22 Sn5.5 -","- In11 S22 Sn5.5 -","1","0.25","","Likforman, A.; Jaulmes, S.; Guittard, M.","Structure du sulfure d'indium et d'etain In11 Sn5.5 S22","Acta Crystallographica C (39,1983-)","1988","44","","1339","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020193","12.811","","11.3445","","19.5175","","90","","90","","90","","2836.56","","","","","","","","","","","","","5","F 2 2 2","F 2 2","22","","Bi.31 Ca5.64 Sr4.05 Cu17 O29","","- Bi0.31 Ca5.64 Cu17 O29 Sr4.05 -","- Bi0.334 Ca5.63 Cu17 O29 Sr4.034 -","- Bi1.336 Ca22.52 Cu68 O116 Sr16.136 -","4","0.25","","Kato, K.; Takayama-Muromachi, E.; Kosuda, K.; Uchida, Y.","Die Struktur des Erdalkalimetall-Oxocuprats, M10 Cu17 O29","Acta Crystallographica C (39,1983-)","1988","44","","1881","1884","","","","","","","","","","","","","","","","","","","","","","has coordinates","167320","2020-10-21","18:00:00",""
"2020194","10.581","","12.797","","5.771","","90","","108.55","","90","","740.825","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(N2 H6) (Sn F3)2","","- F6 H6 N2 Sn2 -","- F6 H6 N2 Sn2 -","- F24 H24 N8 Sn8 -","4","0.5","","Kaucic, V.; Gaspersic-Skander, S.; Leban, I.; Gantar, D.; Rahten, A.","Hydrazinium(2+) bis(trifluorostannate(II)) 65041-The synthesis and structure of heptacobalt tetrakis (hydrogenphosphate) bis(phosphate)","Acta Crystallographica C (39,1983-)","1988","44","","1329","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020195","7.063","","14.234","","8.751","","90","","100.28","","90","","865.657","","","","","","","","","","","","","7","I 1 a 1","I -2ya","9","","Cd Br2 (S C N3 H5) H2 O","","- C H7 Br2 Cd N3 O S -","- C Br2 Cd N3 O S -","- C4 Br8 Cd4 N12 O4 S4 -","4","1","","Nicolo, F.; EL Ghaziri, H.; Chapuis, G.","Structure of dibromo (thiosemicarbazide) cadmium(II) monohydrate.","Acta Crystallographica C (39,1983-)","1988","44","","975","977","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020196","15.626","","15.626","","15.626","","90","","90","","90","","3815.43","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na3.70 Ca1.15 Ge3 O9","","- Ca1.15 Ge3 Na3.7 O9 -","- Ca1.145 Ge3 Na3.7075 O9 -","- Ca18.32 Ge48 Na59.32 O144 -","16","0.666667","","Nishi, F.; Takeuchi, Y.","Cubic structure of sodium calcium germanate Na3.7 Ca1.15 Ge3 O9","Acta Crystallographica C (39,1983-)","1988","44","","1867","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","167447","2020-10-21","18:00:00",""
"2020197","9.236","","13.514","","6.246","","90","","106.84","","90","","746.165","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 (Zn (H2 O)6) (S O4)2","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Maslen, E.N.; Moore, F.H.; Watson, K.J.; Ridout, S.C.","Electron density in diammonium hexaaquazinc(II)sulfate an X-ray and neutron study","Acta Crystallographica C (39,1983-)","1988","44","","1510","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020198","3.892","","3.892","","11.878","","90","","90","","90","","179.924","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Gd2 Cu O4","","- Cu Gd2 O4 -","- Cu Gd2 O4 -","- Cu2 Gd4 O8 -","2","0.0625","","Kubat-Martin, K.A.; Ryan, R.R.; Fisk, Z.","Redetermination of the structure of Gd2 Cu O4: A site population analysis","Acta Crystallographica C (39,1983-)","1988","44","","1518","1520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020199","9.861","","9.861","","17.497","","90","","90","","120","","1473.45","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","H3 Al F6 (H2 O)6","","- Al F6 H15 O6 -","- Al F6 H15 O6 -","- Al6 F36 H90 O36 -","6","0.166667","","Mootz, D.; Oellers, E.J.; Wiebcke, M.","Structures of (I) hexafluoroaluminic acid hexahydrate and (II) pentafluoroaluminic acid pentahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1334","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020200","20.783","","10.105","","15.085","","90","","112.15","","90","","2934.23","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K5 H2 (Sb Mo6 O24) (H2 O)7","","- H16 K5 Mo6 O31 Sb -","- K5 Mo6 O31 Sb -","- K20 Mo24 O124 Sb4 -","4","1","","Ogawa, A.; Yamato, H.; Sasaki, Y.; Ichida, H.; Lee, U.; Kobayashi, A.","Structure of pentapotassium dihydrogen hexamolybdo antimonate heptahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1879","1881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020201","7.926","","3.651","","13.776","","90","","108.27","","90","","378.552","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","H2 Al F5 (H2 O)5","","- Al F5 H12 O5 -","- Al F5 H12 O5 -","- Al2 F10 H24 O10 -","2","0.5","","Mootz, D.; Oellers, E.J.; Wiebcke, M.","Structures of (I) hexafluoroaluminic acid hexahydrate and (II) pentafluoroaluminic acid pentahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1334","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020202","14.063","0.002","17.869","0.003","7.877","0.0012","90","","100.296","0.002","90","","1947.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}-bis(methanylylidene))bis(thiosemicarbazide)","","- C18 H20 N6 O2 S2 -","- C18 H20 N6 O2 S2 -","- C72 H80 N24 O8 S8 -","4","0.5","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0377","0.0343","","","0.0942","0.0973","","","","","","1.077","","","","has coordinates,has Fobs","167920","2020-10-21","18:00:00",""
"2020203","11.6081","0.0016","18.136","0.003","14.186","0.002","90","","101.801","0.002","90","","2923.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2- phenylene)}bis(methanylylidene))bis(thiosemicarbazide) bis(N,N-dimethylformamide) solvate","","- C24 H34 N8 O4 S2 -","- C24 H34 N8 O4 S2 -","- C96 H136 N32 O16 S8 -","4","1","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0481","0.0394","","","0.1051","0.1107","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","167920","2020-10-21","18:00:00",""
"2020204","8.356","0.0003","26.8244","0.001","11.8293","0.0004","90","","109.73","0.001","90","","2495.82","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfameter III","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","2","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0572","0.0405","","","0.1002","0.1108","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020205","8.0609","0.0003","19.5195","0.0007","11.2668","0.0004","90","","98.672","0.001","90","","1752.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfameter dioxane solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide 1,4-dioxane monosolvate","","- C15 H20 N4 O5 S -","- C15 H20 N4 O5 S -","- C60 H80 N16 O20 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0848","0.0742","","","0.223","0.2413","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020206","8.0255","0.0002","19.1956","0.0005","11.1829","0.0003","90","","98.886","0.001","90","","1702.1","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.05","0.0438","","","0.1195","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020207","8.88472","0.00016","12.2592","0.0002","23.7676","0.0007","90","","90","","90","","2588.76","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose pentahydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose pentahydrate","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0343","0.0321","","","0.0768","0.0785","","","","","","1.078","","","","has coordinates,has Fobs","167922","2020-10-21","18:00:00",""
"2020208","8.91348","0.00016","12.2915","0.0002","23.6567","0.0007","90","","90","","90","","2591.83","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose 4.433-hydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.433-hydrate","","- C18 H40.866 O20.433 -","- C18 H40.866 O20.433 -","- C72 H163.464 O81.732 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0479","0.0461","","","0.1011","0.1018","","","","","","1.19","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020209","8.91926","0.00016","12.3038","0.0002","23.6118","0.0007","90","","90","","90","","2591.18","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.289-hydrate","","- C18 H40.578 O20.289 -","- C18 H40.578 O20.289 -","- C72 H162.312 O81.156 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0438","0.0423","","","0.1038","0.1046","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020210","8.93444","0.00016","12.3196","0.0002","23.6037","0.0004","90","","90","","90","","2598.03","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.127-hydrate","","- C18 H40.254 O20.127 -","- C18 H40.254 O20.127 -","- C72 H161.016 O80.508 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0364","0.0344","","","0.0884","0.0897","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020211","6.5589","0.0002","16.9199","0.0006","12.7585","0.0005","90","","100.69","","90","","1391.31","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dicarbonyldichlorido(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C13 H6 Cl2 N2 O3 Ru -","- C13 H6 Cl2 N2 O3 Ru -","- C52 H24 Cl8 N8 O12 Ru4 -","4","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0314","0.029","","","0.074","0.0758","","","","","","1.013","","","","has coordinates","167923","2020-10-21","18:00:00",""
"2020212","7.458","0.002","9.701","0.002","11.594","0.009","90.43","0.03","108.6","0.04","98.41","0.02","785.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonyldichlorido(4,5-diazafluoren-9-one-κ<i>N</i>)ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C28 H12 Cl4 N4 O8 Ru2 -","2","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0562","0.0372","","","0.0552","0.0596","","","","","","1.127","","","","has coordinates,has Fobs","167923","2020-10-21","18:00:00",""
"2020213","9.882","0.004","11.07","0.003","12.287","0.004","66.194","0.018","78.01","0.02","63.966","0.016","1104.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-)(μ~4~-homophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(pyridine-κ<i>N</i>)dicopper(II)]","","- C19 H16 Cu2 N8 O4 -","- C19 H16 Cu2 N8 O4 -","- C38 H32 Cu4 N16 O8 -","2","1","WQ3099","Ma, Jie; Wang, Deng-Feng; Fan, Li-Qun; Zhou, Kang","Structure and magnetic properties of a copper(II) coordination polymer based on azide, pyridine and homophthalic acid","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018173","","","0.71073","MoKα","","0.0478","0.036","","","0.0851","0.0923","","","","","","1.024","","","","has coordinates,has Fobs","167924","2020-10-21","18:00:00",""
"2020214","7.699","","13.997","","11.174","","90","","95.39","","90","","1198.82","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cu (Tl I4)2 (N H3)4","","- Cu H12 I8 N4 Tl2 -","- Cu H12 I8 N4 Tl2 -","- Cu2 H24 I16 N8 Tl4 -","2","0.5","","Tebbe, K.F.","Tetraamminbis(tetraiodothallat(III))kupfer(II)","Acta Crystallographica C (39,1983-)","1989","45","","180","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020215","9.441","","5.37","","5.495","","90","","93.61","","90","","278.034","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Pd7 Se2 -","- Pd7 Se2 -","- Pd14 Se4 -","2","0.5","","Sato, S.; Ishikawa, M.; Takabatake, T.","Structures of superconducting palladium selenides, Pd7 Se2 and Pd34 Se11","Acta Crystallographica C (39,1983-)","1989","45","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020216","8.054","","9.672","","7.224","","111.35","","75.77","","118.66","","458.155","","","","","","","","","","","","","4","P -1","-P 1","2","","La (H P O3 H)3 (H2 O)","","- H8 La O10 P3 -","- H3 La O10 P3 -","- H6 La2 O20 P6 -","2","1","","Tijani, N.; Durand, J.; Cot, L.","Le phosphite acide de lanthane monohydrate","Acta Crystallographica C (39,1983-)","1988","44","","2048","2050","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020217","12.165","","8.538","","8.689","","90","","90","","90","","902.481","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 Mg2 (S O4)3","","- Li2 Mg2 O12 S3 -","- Li2 Mg2 O12 S3 -","- Li8 Mg8 O48 S12 -","4","0.5","","Touboul, M.; Quarton, M.; Lokaj, J.; Kettmann, V.","Structure of dilithium dimagnesium trisulfate","Acta Crystallographica C (39,1983-)","1988","44","","1887","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","168070","2020-10-21","18:00:00",""
"2020218","17.07","","17.07","","7.515","","90","","90","","120","","1896.39","","","","","","","","","","","","","6","P 3","P 3","143","","(N H4)6 (Sb4 F12 (S O4)3)","","- F12 H24 N6 O12 S3 Sb4 -","- F12 H24 N6 O12 S3 Sb4 -","- F36 H72 N18 O36 S9 Sb12 -","3","1","","Waskowska, A.; Lis, T.","Structure of hexaammonium dodecafluorotrisulfato tetraantimonate(III) at 300K","Acta Crystallographica C (39,1983-)","1988","44","","1342","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020219","6.7104","","6.3437","","6.9864","","90","","109.892","","90","","279.658","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Mo O2 D P O4 D2 O","","- D3 Mo O7 P -","- D3 Mo O7 P -","- D6 Mo2 O14 P2 -","2","0.5","","Weller, M.T.; Bell, R.G.","The structure of Mo O2 D P O4 D2 O by powder neutron diffraction","Acta Crystallographica C (39,1983-)","1988","44","","1516","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020220","10.133","","6.6571","","7.311","","90","","113.109","","90","","453.601","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sm (I O3)3 (H2 O)","","- H2 I3 O10 Sm -","- I3 O10 Sm -","- I6 O20 Sm2 -","2","1","","Sen Gupta, P.K.; Ammon, H.L.","Structure of samarium(III) iodate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","175","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020221","32.883","","3.98","","23.698","","90","","132.07","","90","","2302.3","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb4 Sb6 S13","","- Pb4 S13 Sb6 -","- Pb4.17 S13 Sb5.83 -","- Pb16.68 S52 Sb23.32 -","4","0.5","","Skowron, A.; Brown, I.D.","Refinement of the structure of robinsonite, Pb4 Sb6 S13","Acta Crystallographica C (39,1983-)","1990","46","","527","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","168325","2020-10-21","18:00:00",""
"2020222","4.456","","4.456","","5.921","","90","","90","","120","","101.816","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Te -","- Te -","- Te3 -","3","0.5","","Adenis, C.; Langer, V.; Lindqvist, O.","Reinvestigation of the structure of tellurium","Acta Crystallographica C (39,1983-)","1989","45","","941","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020223","22.085","","22.085","","22.085","","90","","90","","90","","10771.9","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Co (N H3)6) (Cu Cl5)","","- Cl5 Co Cu H18 N6 -","- Cl5 Co Cu H18 N6 -","- Cl160 Co32 Cu32 H576 N192 -","32","0.166667","","Aoyama, T.; Ohba, S.; Saito, Y.; Bernal, I.","Phase transition of hexaamminecobalt(III) pentchlorocuprate(II)","Acta Crystallographica C (39,1983-)","1992","48","","246","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020224","10.944","","7.539","","8.974","","110.49","","110.14","","77.82","","647.71","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu3 (P6 O18) (H2 O)14","","- Cu3 H28 O32 P6 -","- Cu3 O32 P6 -","- Cu3 O32 P6 -","1","0.5","","Averbuch-Pouchot, M.T.","Crystal chemistry of cyclo-hexaphosphates. II. Structure of copper cyclo-hexaphosphate tetradecahydrate","Acta Crystallographica C (39,1983-)","1989","45","","1275","1277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020225","4.57","","8.937","","6.441","","90","","134.76","","90","","186.792","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","0.5","","Baenziger, N.C.; Schweitzer, J.W.; Martinson, L.S.; Grout, L.","Ba Co S2","Acta Crystallographica C (39,1983-)","1994","50","","1375","1377","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020226","16.019","","19.993","","9.699","","90","","90","","90","","3106.28","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Yb2 (P6 O18) (H2 O)16","","- H32 O34 P6 Yb2 -","- O34 P6 Yb2 -","- O136 P24 Yb8 -","4","1","","Bagieu-Beucher, M.; Rzaigui, M.","Crystal chemistry of cyclo-hexaphosphates. XXI. Structure of ytterbium cyclo-hexaphosphate hexadecahydrate","Acta Crystallographica C (39,1983-)","1992","48","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","168587","2020-10-21","18:00:00",""
"2020227","8.201","","9.952","","7.995","","103.05","","104.37","","90.08","","614.641","","","","","","","","","","","","","2","P -1","-P 1","2","","Te4 I4","","- I4 Te4 -","- I4 Te4 -","- I8 Te8 -","2","1","","Cai, G.L.; Liu, S.-X.; Huang, J.-L.","High-temperature synthesis and structure redetermination of Te4I4","Acta Crystallographica C (39,1983-)","1991","47","","2642","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","168628","2020-10-21","18:00:00",""
"2020228","15.423","","13.288","","14.408","","90","","105.33","","90","","2847.73","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S19 (Sb F6)2","","- F12 S19 Sb2 -","- F12 S19 Sb2 -","- F48 S76 Sb8 -","4","1","","Faggiani, R.; Gillespie, R.J.; Sawyer, J.F.; Vekris, J.E.","Structures of nonadecasulfur bis(hexafluoroantimonate, octasulfur di-mue-fluoro-dodecafluorotriantimonate hexafluoroantimonate and tetrasulfur di-mue-difluoroantimony muefluoro-tetrafluorodiantimony pentakis(hexafluoroantimonate)","Acta Crystallographica C (39,1983-)","1989","45","","1847","1853","","","","","","","","","","","","","","","","","","","","","","has coordinates","168632","2020-10-21","18:00:00",""
"2020229","15.14","","17.402","","17.309","","90","","90","","90","","4560.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S8 (Sb3 F14) (Sb F6)","","- F20 S8 Sb4 -","- F20 S8 Sb4 -","- F160 S64 Sb32 -","8","1","","Faggiani, R.; Gillespie, R.J.; Sawyer, J.F.; Vekris, J.E.","Structures of nonadecasulfur bis(hexafluoroantimonate, octasulfur di-mue-fluoro-dodecafluorotriantimonate hexafluoroantimonate and tetrasulfur di-mue-difluoroantimony muefluoro-tetrafluorodiantimony pentakis(hexafluoroantimonate)","Acta Crystallographica C (39,1983-)","1989","45","","1847","1853","","","","","","","","","","","","","","","","","","","","","","has coordinates","168637","2020-10-21","18:00:00",""
"2020230","3.035","","3.035","","11.449","","90","","90","","120","","91.33","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu (Fe O2)","","- Cu Fe O2 -","- Cu Fe O2 -","- Cu2 Fe2 O4 -","2","0.0833333","","Effenberger, H.","Structure of hexagonal copper(I) ferrite","Acta Crystallographica C (39,1983-)","1991","47","","2644","2646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020231","15.658","","13.268","","16.974","","90","","91.59","","90","","3525","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S4 (F2 (Sb2 F2)) (F (Sb2 F4)) (Sb F6)5","","- F39 S4 Sb9 -","- F39 S4 Sb9 -","- F156 S16 Sb36 -","4","1","","Faggiani, R.; Gillespie, R.J.; Sawyer, J.F.; Vekris, J.E.","Structures of nonadecasulfur bis(hexafluoroantimonate), octasulfur di-mue-fluoro-dodecafluorotriantimonate hexafluoroantimonate and tetrasulfur di-mue-difluoroantimony mue-fluoro-tetrafluorodiantimony pentakis(hexafluoroantimonate)","Acta Crystallographica C (39,1983-)","1989","45","","1847","1853","","","","","","","","","","","","","","","","","","","","","","has coordinates","168642","2020-10-21","18:00:00",""
"2020232","19.054","","3.8463","","19.166","","90","","152.1","","90","","657.267","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K In5 S8","","- In5 K S8 -","- In5 K S8 -","- In10 K2 S16 -","2","0.25","","Carre, D.; Pardo, M.P.","Structure de l'octasulfure de pentaindium et de potassium, In5 K S8","Acta Crystallographica C (39,1983-)","1983","39","","822","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020233","10.054","","24.51","","11.018","","90","","109.6","","90","","2557.77","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K2 (Fe (C N)5 (N O)) (H2 O)2.5","","- C5 H5 Fe K2 N6 O3.5 -","- C5 Fe K2 N6 O3.5 -","- C40 Fe8 K16 N48 O28 -","8","2","","Castellano, E.E.; Rivero, B.E.; Piro, O.E.; Amalvy, J.I.","Structures of the potassium nitroprusside 2.5 and 0.8 hydrates","Acta Crystallographica C (39,1983-)","1989","45","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020234","30","","11.272","","16.053","","90","","90","","90","","5428.48","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K2 (Fe (C N)5 (N O)) (H2 O)0.8","","- C5 H1.6 Fe K2 N6 O1.8 -","- C5 H1.6 Fe K2 N6 O1.8 -","- C100 H32 Fe20 K40 N120 O36 -","20","5","","Castellano, E.E.; Rivero, B.E.; Amalvy, J.I.; Piro, O.E.","Structures of the potassium nitroprusside 2.5 and 0.8 hydrates","Acta Crystallographica C (39,1983-)","1989","45","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020235","31.68","","3.972","","11.659","","90","","90","","90","","1467.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Bi4 Cu4 S9)4.23","","- Bi15.68 Cu16 S36 -","- Bi15.68 Cu16 S36 -","- Bi15.68 Cu16 S36 -","1","0.125","","Bente, K.; Kupcik, V.","Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide, Cu4 Bi4 S9","Acta Crystallographica C (39,1983-)","1984","40","","1985","1986","","","","","","","","","","","","","","","","","","","","","","has coordinates","168700","2020-10-21","18:00:00",""
"2020236","4.462","","4.0451","","8.242","","90","","102.23","","90","","145.386","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Nd Ru Si2 -","- Nd Ru Si2 -","- Nd2 Ru2 Si4 -","2","0.5","","Cenzual, K.; Gladyshevskii, R.E.; Parthe, E.","Monoclinic NdRuSi2, a distortion derivative of orthorhombic CeNiSi2","Acta Crystallographica C (39,1983-)","1992","48","","225","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020237","17.25","","9.767","","17.106","","90","","110.9","","90","","2692.41","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Zn (P O4)","","- Li O4 P Zn -","- Li O4 P Zn -","- Li32 O128 P32 Zn32 -","32","8","","Elammari, L.; Elouadi, B.","Structure of alpha - Li Zn P O4","Acta Crystallographica C (39,1983-)","1989","45","","1864","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020238","14.5265","","14.5265","","14.5265","","90","","90","","90","","3065.37","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","D2.5 (N D4)7.4 Cs0.7 (Al10.9 Si37.1 O96)","","- Al10.896 N7.4016 O96 Si37.104 -","- Al10.896 N7.4016 O96 Si37.104 -","- Al10.896 N7.4016 O96 Si37.104 -","1","0.0208333","","Fischer, R.X.; Baur, W.H.; Prince, E.; Shannon, R.D.; Faber, J.jr; Parise, J.B.","New different forms of ammonium loaded and partially deammoniated zeolite rho studied by neutron powder diffraction","Acta Crystallographica C (39,1983-)","1989","45","","983","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","168734","2020-10-21","18:00:00",""
"2020239","9.0438","","9.0438","","9.0438","","90","","90","","90","","739.695","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na8 (Al6 Ge6 O24) Cl2","","- Al6 Cl2 Ge6 Na8 O24 -","- Al6 Cl2 Ge6 Na8 O24 -","- Al6 Cl2 Ge6 Na8 O24 -","1","0.0416667","","Fleet, M.E.","Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I)","Acta Crystallographica C (39,1983-)","1989","45","","843","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","168743","2020-10-21","18:00:00",""
"2020240","9.0949","","9.0949","","9.0949","","90","","90","","90","","752.305","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na8 (Al6 Ge6 O24) Br2","","- Al6 Br2 Ge6 Na8 O24 -","- Al6 Br2 Ge6 Na8 O24 -","- Al6 Br2 Ge6 Na8 O24 -","1","0.0416667","","Fleet, M.E.","Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I)","Acta Crystallographica C (39,1983-)","1989","45","","843","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","168747","2020-10-21","18:00:00",""
"2020241","9.1755","","9.1755","","9.1755","","90","","90","","90","","772.484","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na8 (Al6 Ge6 O24) I2","","- Al6 Ge6 I2 Na8 O24 -","- Al6 Ge6 I2 Na8 O24 -","- Al6 Ge6 I2 Na8 O24 -","1","0.0416667","","Fleet, M.E.","Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I)","Acta Crystallographica C (39,1983-)","1989","45","","843","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","168752","2020-10-21","18:00:00",""
"2020242","7.376","","10.355","","8.35","","90","","106.83","","90","","610.444","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K Mo (P2 O7)","","- K Mo O7 P2 -","- K Mo O7 P2 -","- K4 Mo4 O28 P8 -","4","1","","Chen, J.J.; Wang, C.-C.; Lii, K.-H.","Structure of K Mo P2 O7, a molybdenum pyrophosphate containing isolated Mo(3+) cations","Acta Crystallographica C (39,1983-)","1989","45","","673","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020243","9.62","","8.005","","13.119","","90","","108.98","","90","","955.343","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr2 (H P O3)3 (H2 O)","","- H5 O10 P3 Pr2 -","- H5 O10 P3 Pr2 -","- H20 O40 P12 Pr8 -","4","1","","Foulon, J.D.; Cot, L.; Tijani, N.; Durand, J.; Rafiq, M.","Structure de Ln2(PO3H)3(H2O)(Ln= Pr, Nd)","Acta Crystallographica C (39,1983-)","1993","49","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020244","12.8765","","14.5867","","7.4478","","90","","121.521","","90","","1192.48","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na2 (Ru (N O2)4 (N O) (O H)) (H2 O)2","","- H5 N5 Na2 O12 Ru -","- H5 N5 Na2 O12 Ru -","- H20 N20 Na8 O48 Ru4 -","4","0.5","","Blake, A.J.; Johnson, B.F.G.; Gould, R.O.; Parsini, E.","Na2 (Ru (N O2)4 (N O) (O H)) . 2(H2 O) - a redetermination","Acta Crystallographica C (39,1983-)","1992","48","","982","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020245","12.688","","7.429","","5.942","","90","","90","","90","","560.088","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn2 (Si S4)","","- Mn2 S4 Si -","- Mn2 S4 Si -","- Mn8 S16 Si4 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Structure of Mn2 Si S4","Acta Crystallographica C (39,1983-)","1989","45","","1808","1809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020246","7.727","","7.118","","4.839","","104.43","","93.71","","90.07","","257.171","","","","","","","","","","","","","4","P -1","-P 1","2","","Na (Al1.5 As.5) (As2 O7)2","","- Al1.5 As4.5 Na O14 -","- Al1.5 As4.5 Na O14 -","- Al1.5 As4.5 Na O14 -","1","0.5","","Driss, A.; Jouini, T.","Structure de Na (Al1.5 As.5) (As2 O7)2","Acta Crystallographica C (39,1983-)","1989","45","","356","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020248","7.901","","7.923","","12.696","","97.08","","100.5","","90.26","","775.201","","","","","","","","","","","","","3","P -1","-P 1","2","","W Cl6 S8","","- Cl6 S8 W -","- Cl6 S8 W -","- Cl12 S16 W2 -","2","1","","Cotton, F.A.; Kibala, P.A.; Sandor, R.B.W.","Structural characterization of W Cl6 S8","Acta Crystallographica C (39,1983-)","1989","45","","1287","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020249","7.785","","10.201","","8.074","","90","","90.58","","90","","641.162","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Nb Cl5","","- Cl5 Nb -","- Cl5 Nb -","- Cl20 Nb4 -","4","1","","Cotton, F.A.; Kibala, P.A.; Matusz, M.; Sandor, R.B.W.","Structure of the second polymorph of niobium pentachloride","Acta Crystallographica C (39,1983-)","1991","47","","2435","2437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020250","10.408","","10.863","","10.192","","90","","90","","90","","1152.33","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mn (H P O4) (H2 O)3","","- H7 Mn O7 P -","- H7 Mn O7 P -","- H56 Mn8 O56 P8 -","8","1","","Cudennec, Y.; Riou, A.; Gerault, Y.","Manganese(II) hydrogenphosphate trihydrate","Acta Crystallographica C (39,1983-)","1989","45","","1411","1412","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020251","7.808","","10.932","","11.094","","100.98","","89.8","","105.01","","896.848","","","","","","","","","","","","","6","P -1","-P 1","2","","(Co (N H3)6) Cl (Te Cl6) (H2 O)1.64","","- Cl7 Co H21.28 N6 O1.64 Te -","- Cl7 Co H21.28 N6 O1.64 Te -","- Cl14 Co2 H42.56 N12 O3.28 Te2 -","2","1","","du Bois, A.; Abriel, W.","Structure of hexamminecobalt(III) chloride hexachlorotellurate(IV) 1.64-water","Acta Crystallographica C (39,1983-)","1989","45","","1986","1988","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020252","5.50195","","5.50195","","13.2124","","90","","90","","120","","346.374","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La Cu O2.892","","- Cu La O2.892 -","- Cu La O2.892 -","- Cu6 La6 O17.352 -","6","0.166667","","Currie, D.B.; Weller, M.T.","Structure of LaCuO3 by powder neutron diffraction","Acta Crystallographica C (39,1983-)","1991","47","","696","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020253","10.273","0.002","15.081","0.003","7.7654","0.0016","90","","93.06","0.03","90","","1201.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ~2~-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C9 H12 Cd Cl2 N2 O2 -","- C9 H12 Cd Cl2 N2 O2 -","- C36 H48 Cd4 Cl8 N8 O8 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0328","0.0267","","","0.0584","0.0603","","","","","","1.157","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020254","8.4937","0.0017","8.2364","0.0016","22.015","0.004","90","","91.57","0.03","90","","1539.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane [[dichloridocadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]","","- C10 H17 Cd Cl2 N3 O5 -","- C10 H17 Cd Cl2 N3 O5 -","- C40 H68 Cd4 Cl8 N12 O20 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0704","0.0541","","","0.1418","0.1495","","","","","","1.08","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020255","7.548","0.005","13.066","0.005","15.815","0.005","90","","90","","90","","1559.7","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0462","0.0379","","","0.0953","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020256","6.6616","0.0012","4.8577","0.001","19.099","0.004","90","","99.821","0.006","90","","609","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-Benzyl-5-fluoroindoline-2,3-dione","","- C15 H10 F N O2 -","- C15 H10 F N O2 -","- C30 H20 F2 N2 O4 -","2","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0877","0.0547","","","0.0734","0.08","","","","","","1.162","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020257","8.3961","0.0004","9.8673","0.0005","11.068","0.0007","66.137","0.005","83.459","0.004","79.546","0.004","823.81","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine 3-hydroxypyridin-1-ium-2-carboxylate (1/1)","<i>N</i>^6^-Benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1)","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C36 H28 N12 O8 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0687","0.0477","","","0.1151","0.1299","","","","","","1.036","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020258","7.5844","0.0007","10.0175","0.0009","11.9658","0.001","111.669","0.008","93.488","0.007","98.845","0.007","827.95","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine <i>DL</i>-tartaric acid (1/1)","<i>N</i>^6^-benzoyladenine‒<i>DL</i>-tartaric acid (1/1),","","- C16 H15 N5 O7 -","- C16 H15 N5 O7 -","- C32 H30 N10 O14 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0692","0.0472","","","0.1098","0.1261","","","","","","1.046","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020259","16.176","","11.798","","16.147","","90","","115.36","","90","","2784.61","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","((C O)3 Re I)2 In (((C O)4 Re)2 I)","","- C14 I3 In O14 Re4 -","- C14 I3 In O14 Re4 -","- C56 I12 In4 O56 Re16 -","4","0.5","","Haupt, H.J.; Floerke, U.","(Bis-mue-iodo-bis(tricarbonylrhenio)-(Re-Re))(mue-iodobis tetracarbonylrhenio)-(Re-Re)) indium(III) and bis(pentacarbonylrhenio)(tetracarbonyl-bis-mue-iodorhenio indium(III)","Acta Crystallographica C (39,1983-)","1989","45","","1718","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020260","7.202","","11.821","","15.664","","87.92","","83.17","","78.25","","1296.24","","","","","","","","","","","","","5","P -1","-P 1","2","","((C O)5 Re)2 In ((C O)4 Re I2)","","- C14 I2 In O14 Re3 -","- C14 I2 In O14 Re3 -","- C28 I4 In2 O28 Re6 -","2","1","","Haupt, H.J.; Floerke, U.","(Bis-mue-iodo-bis(tricarbonylrhenio)-(Re-Re))(mue-iodobis tetracarbonylrhenio)-(Re-Re)) indium(III) and bis(pentacarbonylrhenio)(tetracarbonyl-bis-mue-iodorhenio indium(III)","Acta Crystallographica C (39,1983-)","1989","45","","1718","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020261","9.1882","","9.1882","","17.1681","","90","","90","","120","","1255.2","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Cs Lu ((Nb6 Cl12) Cl6)","","- Cl18 Cs Lu Nb6 -","- Cl18 Cs Lu Nb6 -","- Cl36 Cs2 Lu2 Nb12 -","2","0.166667","","Ihmaine, S.; Perrin, C.; Sergent, M.","Structure of a new quaternary niobium chloride with Nb6 clusters: Cs Lu Nb6 Cl18","Acta Crystallographica C (39,1983-)","1989","45","","705","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020262","11.421","","11.126","","11.919","","90","","107.22","","90","","1446.66","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)4 (H6 Cu Mo6 O24) (H2 O)4","","- Cu H30 Mo6 N4 O28 -","- Cu Mo6 N4 O28 -","- Cu2 Mo12 N8 O56 -","2","0.5","","Ito, F.; Ozeki, T.; Miyamae, H.; Ichida, H.; Sasaki, Y.","Structure of tetraammonium hexahydrogenhexamolybdocuprate(II) tetrahydrate","Acta Crystallographica C (39,1983-)","1989","45","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020263","9.66","","14.959","","8.215","","90","","90","","90","","1187.1","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H4)4 (Pt2 Cl (P2 O5 H2)4)","","- Cl H24 N4 O20 P8 Pt2 -","- Cl H14 N4 O20 P8 Pt2 -","- Cl2 H28 N8 O40 P16 Pt4 -","2","0.25","","Jin, S.; Ito, T.; Toriumi, K.; Yamashita, M.","Structure of a linear-chain chloro-bridged binuclear platinum complex, (N H4)4 (Pt2 Cl (P2 O5 H2)4)","Acta Crystallographica C (39,1983-)","1989","45","","1415","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020264","28.014","","3.6166","","10.1446","","90","","99.985","","90","","1012.24","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu1.2 V12 O29","","- Cu1.2 O29 V12 -","- Cu1.2 O29 V12 -","- Cu2.4 O58 V24 -","2","0.25","","Kato, K.; Takayama-Muromachi, E.; Kanke, Y.","Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9","Acta Crystallographica C (39,1983-)","1989","45","","1841","1844","","","","","","","","","","","","","","","","","","","","","","has coordinates","169432","2020-10-21","18:00:00",""
"2020265","28.0143","","3.6192","","10.142","","90","","99.722","","90","","1013.52","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu1.5 V12 O29","","- Cu1.5 O29 V12 -","- Cu1.5 O29 V12 -","- Cu3 O58 V24 -","2","0.25","","Kato, K.; Takayama-Muromachi, E.; Kanke, Y.","Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9","Acta Crystallographica C (39,1983-)","1989","45","","1841","1844","","","","","","","","","","","","","","","","","","","","","","has coordinates","169433","2020-10-21","18:00:00",""
"2020266","28.0068","","3.623","","10.1374","","90","","99.513","","90","","1014.48","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu1.9 V12 O29","","- Cu1.9 O29 V12 -","- Cu1.9 O29 V12 -","- Cu3.8 O58 V24 -","2","0.25","","Kato, K.; Takayama-Muromachi, E.; Kanke, Y.","Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9","Acta Crystallographica C (39,1983-)","1989","45","","1841","1844","","","","","","","","","","","","","","","","","","","","","","has coordinates","169434","2020-10-21","18:00:00",""
"2020267","15.2403","","3.6145","","10.1009","","90","","107.25","","90","","531.391","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu.261 (V2 O5)","","- Cu0.261 O5 V2 -","- Cu0.261 O5 V2 -","- Cu1.566 O30 V12 -","6","0.75","","Kato, K.; Takayama-Muromachi, E.; Kanke, Y.","Die Struktur der Kupfer-Vanadiumbronze Cu.261 V2 O5: Eine Verfeinerung","Acta Crystallographica C (39,1983-)","1989","45","","1845","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","169435","2020-10-21","18:00:00",""
"2020268","4.5567","","4.5567","","11.718","","90","","90","","90","","243.307","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Ba (O D) Br (D2 O)2","","- Ba Br D5 O3 -","- Ba Br D5 O3 -","- Ba2 Br2 D10 O6 -","2","0.125","","Kellersohn, T.; Lutz, H.D.; Beckenkamp, K.; Jansen, E.","Structure determination of Ba(OD)Br.(D2O)2 by neutron powder diffraction","Acta Crystallographica C (39,1983-)","1991","47","","483","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020269","17.593","","17.593","","6.238","","90","","90","","120","","1672.07","","","","","","","","","","","","","3","P -3","-P 3","147","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo18 O72 Th9 -","9","1.5","","Larson, E.M.; Eller, P.G.; Cremers, T.L.; Penneman, R.A.; Herrick, C.C.","Structure of trigonal thorium molybdate","Acta Crystallographica C (39,1983-)","1989","45","","1669","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020270","12.4316","","3.1581","","20.4468","","90","","90","","90","","802.746","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mo4 P3 -","- Mo4 P3 -","- Mo32 P24 -","8","1","","Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.","Redetermination of the crystal structure of Mo4 P3","Acta Crystallographica C (39,1983-)","1989","45","","540","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020271","20.899","","20.899","","3.863","","90","","90","","120","","1461.19","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K2 Tm23.33 S36","","- K2 S36 Tm23.33 -","- K2 S36 Tm23.334 -","- K2 S36 Tm23.334 -","1","0.0833333","","Lemoine, P.; Tomas, A.; Vovan, T.; Carre, D.; Guittard, M.","Structure du sulfure de thulium et de potassium K2 Tm23.33 S36","Acta Crystallographica C (39,1983-)","1989","45","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","169493","2020-10-21","18:00:00",""
"2020272","20.688","","20.688","","3.861","","90","","90","","120","","1431.09","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Yb18 In7.33 S36","","- In7.33 S36 Yb18 -","- In7.328 S36 Yb18.006 -","- In7.328 S36 Yb18.006 -","1","0.0833333","","Lemoine, P.; Tomas, A.; Carre, D.; Likforman, A.; Guittard, M.","Structure du sulfure d'ytterbium et d'indium Yb18 In7.33 S36","Acta Crystallographica C (39,1983-)","1989","45","","1858","1861","","","","","","","","","","","","","","","","","","","","","","has coordinates","169495","2020-10-21","18:00:00",""
"2020273","14.627","","3.847","","15.636","","90","","97.38","","90","","872.55","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","(In22 Sn11 S44)0.53","","- In11 S22 Sn8 -","- In11 S22 Sn8 -","- In11 S22 Sn8 -","1","0.25","","Likforman, A.; Jaulmes, S.; Guittard, M.","Structure du sulfure d'indium et d'etain In11 Sn5,5 S22","Acta Crystallographica C (39,1983-)","1988","44","","1339","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","169543","2020-10-21","18:00:00",""
"2020274","17.966","0.005","17.966","0.005","4.0448","0.0006","90","","90","","120","","1130.7","0.5","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","aluminide","Trigadolinium heptanickel tetradecaaluminide","","- Al14 Gd3 Ni7 -","- Al14 Gd3 Ni7 -","- Al42 Gd9 Ni21 -","3","0.25","KU3165","Pukas, Svitlana; Gladyshevskii, Roman","The new structure type Gd~3~Ni~7~Al~14~","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018082","","","0.71073","MoKα","","0.0322","0.0226","","","0.0296","0.0306","","","","","","0.805","","","","has coordinates,has Fobs","169730","2020-10-21","18:00:00",""
"2020275","9.681","0.0019","10.257","0.002","18.424","0.004","99.16","0.03","101.87","0.03","94.06","0.03","1757.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[zinc(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^3^:<i>N</i>^3'^;<i>N</i>^3'^:<i>N</i>^3^-zinc(II)-bis(μ-benzene-1,2-dicarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^]","","- C38 H28 N8 O8 Zn2 -","- C38 H28 N8 O8 Zn2 -","- C76 H56 N16 O16 Zn4 -","2","1","WQ3101","Huang, Qiu-Ying; Liu, Wei; Yang, Yi; Meng, Xiang-Ru","A new one-dimensional Zn^II^ coordination polymer based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S205322961501966X","","","0.71073","MoKα","","0.0654","0.046","","","0.0862","0.0947","","","","","","1.098","","","","has coordinates,has Fobs","169771","2020-10-21","18:00:00",""
"2020276","10.1099","0.001","11.3367","0.0011","17.0315","0.0017","74.755","0.002","78.503","0.002","65.557","0.002","1705.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,1''-Dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C44 H33 Cl N2 O3 -","- C44 H33 Cl N2 O3 -","- C88 H66 Cl2 N4 O6 -","2","1","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0795","0.0658","","","0.1471","0.1551","","","","","","1.133","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020277","11.983","0.0005","12.926","0.0006","21.5664","0.001","76.33","0.001","76.522","0.001","77.553","0.001","3110.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1''-Acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H29 Cl N2 O4 -","- C39 H29 Cl N2 O4 -","- C156 H116 Cl4 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.1184","0.0681","","","0.1382","0.16","","","","","","1.044","","","","has coordinates","169772","2020-10-21","18:00:00",""
"2020278","9.7565","0.001","16.6868","0.0016","19.9593","0.0019","71.653","0.002","81.657","0.002","89.314","0.002","3049.7","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H30 N2 O4 -","- C39 H30 N2 O4 -","- C156 H120 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.113","0.0698","","","0.1322","0.1489","","","","","","1.093","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020279","9.694","0.0005","18.581","0.001","20.1552","0.0011","114.872","0.002","98.465","0.002","99.397","0.002","3153.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione acetonitrile hemisolvate","","- C40 H31.5 N2.5 O4 -","- C40 H31.5 N2.5 O4 -","- C160 H126 N10 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0849","0.0582","","","0.1325","0.147","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","169772","2020-10-21","18:00:00",""
"2020280","7.9293","0.0008","15.1231","0.0016","10.249","0.0012","90","","100.862","0.006","90","","1207","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1)","Pyrazine-2-carboxamide‒4-aminobenzoic acid (1/1)","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C48 H48 N16 O12 -","4","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0476","0.0366","","","0.0886","0.0954","","","","","","1.053","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020281","6.0535","0.0005","7.4159","0.0006","13.2548","0.001","85.612","0.005","81.9","0.005","66.398","0.005","539.69","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(Pyrazine-2-carboxamido)benzoic acid","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0785","0.0537","","","0.1221","0.1343","","","","","","1.063","","","","has coordinates,has Fobs","169773","2020-10-21","18:00:00",""
"2020283","12.5223","0.0008","7.6646","0.0004","15.1729","0.0013","90","","101.044","0.004","90","","1429.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","OV3068","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","(5<i>RS</i>)-6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]: efficient synthesis under mild conditions, molecular structure and supramolecular assembly","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615020136","","","0.71073","MoKα","","0.0596","0.0451","","","0.1112","0.1214","","","","","","1.064","","","","has coordinates,has Fobs","169873","2020-10-21","18:00:00",""
"2020284","19.3847","0.001","9.0716","0.0004","30.3953","0.0012","90","","90","","90","","5345","0.4","170","2","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C224 H320 O48 -","16","2","FN3208","Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.","Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019919","","","0.71073","MoKα","","0.129","0.0665","","","0.1475","0.1892","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","169874","2020-10-21","18:00:00",""
"2020286","3.8229","0.0015","8.972","0.003","11.645","0.004","75.011","0.006","89.036","0.006","81.735","0.006","381.7","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","β-Resorcylic acid monohydrate","2,4-Dihydroxybenzoic acid monohydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C14 H16 O10 -","2","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.0542","0.048","","","0.1272","0.1325","","","","","","1.103","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020287","26.534","0.002","6.5377","0.0006","7.6136","0.0007","90","","90","","90","","1320.7","0.2","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thymine‒β-resorcylic acid‒water (1/1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒2,4-dihydroxybenzoic acid‒water (1/1/1)","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.034","0.0328","","","0.0864","0.0873","","","","","","1.038","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020288","7.2045","0.001","15.049","0.002","12.1405","0.0016","90","","91.65","0.002","90","","1315.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C60 H68 N8 Ni2 -","2","0.5","DT3036","Su, Bi-Yun; Li, Xiao-Teng; Wang, Jia-Xiang; Wang, Xu-Dong","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>')nickel(II): a supramolecular structure formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020781","","","0.71073","MoKα","","0.0552","0.037","","","0.0958","0.1046","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020289","9.5706","0.0005","10.2415","0.0005","11.6998","0.0005","94.507","0.004","110.27","0.004","111.616","0.005","971.75","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[Benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","","- C16 H24 O8 P2 -","- C16 H24 O8 P2 -","- C32 H48 O16 P4 -","2","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0378","0.0323","","","0.0847","0.0896","","","","","","1.054","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020290","9.8434","0.0002","11.3589","0.0003","26.6986","0.0008","90","","90","","90","","2985.18","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C10 H20 O7 P2 -","- C10 H20 O7 P2 -","- C80 H160 O56 P16 -","8","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0527","0.0464","","","0.0918","0.0944","","","","","","1.136","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020291","15.464","0.002","8.663","0.001","9.912","0.002","90","","112.832","0.002","90","","1223.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C13 H12 Ag N3 -","- C13 H12 Ag N3 -","- C52 H48 Ag4 N12 -","4","0.5","FM3029","Piromchom, Jureepan; Othong, Jintana; Boonmak, Jaursup; Mutikainen, Ilpo; Youngme, Sujittra","A novel one-dimensional metal‒organic framework with a μ-cyanido-argentate group: <i>catena</i>-poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","Acta Crystallographica Section C","2015","71","12","1","0","10.1107/S2053229615020288","","","0.71073","MoKα","","0.0318","0.0285","","","0.0688","0.0708","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","170208","2020-10-21","18:00:00",""
"2020292","18.0782","0.0007","5.8922","0.0003","15.8365","0.0003","90","","93.7245","0.0007","90","","1683.35","0.11","296","","296","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-chlorido-[bis(ethylenediamine)platinum(IV)]-μ-chlorido] tetrakis{4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate} dihydrate]","","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","1","0.25","UK3120","Matsushita, Nobuyuki; Taira, Ayako","A one-dimensional chloride-bridged PtII/PtIVmixed-valence complex with a 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate counter-ion","Acta Crystallographica Section C Structural Chemistry","2015","71","12","","","10.1107/S2053229615019877","","","0.7107","MoKα","","0.0512","0.0303","","","0.0552","0.0615","","","","","","1.042","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020293","11.8634","0.0007","12.6803","0.0006","17.1975","0.0009","90","","90","","90","","2587","0.2","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate","","- C19 H28 B2 F8 Fe N10 O -","- C19 H28 B2 F8 Fe N10 O -","- C76 H112 B8 F32 Fe4 N40 O4 -","4","1","EG3192","Struch, Niklas; Schnakenburg, Gregor; Lützen, Arne","A novel crystal structure of {tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020409","","","0.71073","MoKα","","0.0483","0.0373","","","0.0824","0.0864","","","","","","1.05","","","","has coordinates,has disorder","170210","2020-10-21","18:00:00",""
"2020294","8.657","0.0005","8.8622","0.0017","9.0321","0.0011","92.649","0.013","113.635","0.009","100.632","0.012","618.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(6<i>RS</i>)-4-Chloro-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 -","- C14 H14 Cl N3 -","- C28 H28 Cl2 N6 -","2","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0858","0.0528","","","0.1163","0.1362","","","","","","1.082","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020295","8.0251","0.0007","21.551","0.0017","8.0709","0.0006","90","","116.216","0.006","90","","1252.27","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-hydroxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0729","0.0461","","","0.0937","0.104","","","","","","1.136","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020296","8.2148","0.0007","12.9078","0.0008","15.0778","0.0006","90","","122.774","0.005","90","","1344.27","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C15 H16 Cl N3 O -","- C15 H16 Cl N3 O -","- C60 H64 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1017","0.0516","","","0.0921","0.1089","","","","","","1.043","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020297","13.9431","0.0008","9.2078","0.001","14.802","0.004","90","","106.521","0.008","90","","1821.9","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-2-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N3 O -","- C21 H20 Cl N3 O -","- C84 H80 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1115","0.057","","","0.0991","0.1197","","","","","","1.079","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020298","7.2367","0.0006","8.4193","0.0006","11.7507","0.0008","73.617","0.005","85.522","0.006","69.492","0.005","643.17","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","9α,21-Dichloro-11β,17α-dihydroxy-16α-methyl-3,20-dioxodipregna-1,4-dien-17-yl furan-2-carboxylate monohydrate","","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","1","1","OV3071","Müller, Peter","Mometasone furoate revisited, or how did the hydrate get in the bottle?","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021476","","","1.54178","CuKα","","0.0473","0.0412","","","0.0979","0.1002","","","","","","1.032","","","","has coordinates,has Fobs","170373","2020-10-21","18:00:00",""
"2020299","3.7097","0.0003","9.5406","0.001","22.841","0.002","90","","90","","90","","808.41","0.13","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TGN-020","2-Nicotinamido-1,3,4,-thiadiazole","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","1","YP3101","Burnett, Marianne E.; Johnston, Hannah M.; Green, Kayla N.","Structural characterization of the aquaporin inhibitor 2-nicotinamido-1,3,4-thiadiazole","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021130","","","0.71073","MoKα","","0.0655","0.0441","","","0.075","0.0799","","","","","","1.052","","","","has coordinates,has Fobs","170374","2020-10-21","18:00:00",""
"2020300","12.6613","0.0009","8.0054","0.0006","12.8345","0.0009","90","","117.89","0.0009","90","","1149.79","0.14","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-11-oxo-9,10,17λ^5^-triaza-1λ^4^-boratetracyclo[8.7.0.0^2,7^.0^12,17^]heptadeca-3,5,7,12,14,16-hexaen-17-ylium-1-uide","","- C13 H10 B N3 O2 -","- C13 H10 B N3 O2 -","- C52 H40 B4 N12 O8 -","4","1","YP3108","Sarina, Evan A.; Olmstead, Marilyn M.; Kanichar, Divya; Groziak, Michael P.","A zwitterion produced by a strong intramolecular N→B interaction in 1-hydroxy-2-(pyridin-2-ylcarbonyl)benzo[<i>d</i>][1,2,3]diazaborinine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021841","","","0.71073","MoKα","","0.0382","0.036","","","0.1014","0.1034","","","","","","1.043","","","","has coordinates,has Fobs","170561","2020-10-21","18:00:00",""
"2020301","10.169","0.003","7.858","0.002","13.818","0.004","90","","105.757","0.004","90","","1062.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[dibromidozinc(II)]-μ-[3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione-κ^2^<i>N</i>:<i>N</i>']]","","- C24 H14 Br2 N2 O2 Zn -","- C24 H14 Br2 N2 O2 Zn -","- C48 H28 Br4 N4 O4 Zn2 -","2","0.5","UK3122","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.0495","0.0325","","","0.0528","0.0554","","","","","","0.851","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020302","23.138","0.009","10.921","0.004","16.49","0.007","90","","108.931","0.007","90","","3941","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bromido[μ~3~-10-hydroxy-3,6-bis(pyridin-4-yl)phenanthren-9-olato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>^9^]zinc(II)] hemihydrate]","","- C24 H16 Br N2 O2.5 Zn -","- C24 H16 Br N2 O2.5 Zn -","- C192 H128 Br8 N16 O20 Zn8 -","8","2","","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.1413","0.0508","","","0.0594","0.0713","","","","","","0.824","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020303","7.9382","0.0016","7.3484","0.0015","25.847","0.005","90","","90.05","0.03","90","","1507.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'<i>E</i>,2'<i>E</i>)-2,2'-(Propane-1,2-diylidene)bis[1-(2-nitrophenyl)hydrazine]","","- C15 H14 N6 O4 -","- C15 H14 N6 O4 -","- C60 H56 N24 O16 -","4","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.0609","0.0377","","","0.0865","0.0917","","","","","","0.866","","","","has coordinates,has Fobs","170589","2020-10-21","18:00:00",""
"2020304","27.312","0.006","7.5929","0.0016","20.625","0.004","90","","106.241","0.007","90","","4106.5","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>Z</i>,3<i>Z</i>)-Ethyl 3-[2-(2-nitrophenyl)hydrazinylidene]-2-[2-(4-nitrophenyl)hydrazinylidene]butanoate tetrahydrofuran hemisolvate","","- C20 H22 N6 O6.5 -","- C20 H22 N6 O6.5 -","- C160 H176 N48 O52 -","8","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.1055","0.062","","","0.1494","0.168","","","","","","1.335","","","","has coordinates,has disorder,has Fobs","170589","2020-10-21","18:00:00",""
"2020305","9.35","0.0019","15.95","0.003","26.07","0.005","90","","90","","90","","3887.9","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Glycyl-α-aminoisobutyryl-glycyl-α-aminoisobutyric acid <i>tert</i>-butyl ester","","- C16 H30 N4 O5 -","- C16 H30 N4 O5 -","- C128 H240 N32 O40 -","8","1","LG3179","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The first N-terminal unprotected (Gly-Aib)~<i>n~</i> peptide: H-Gly-Aib-Gly-Aib-O<i>t</i>Bu","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022597","","","0.65253","synchrotron","","0.0613","0.059","","","0.1486","0.1505","","","","","","1.111","","","","has coordinates,has Fobs","170590","2020-10-21","18:00:00",""
"2020306","9.2871","0.0003","19.633","0.0007","7.3663","0.0003","90","","108.604","0.002","90","","1272.94","0.08","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ferrocenylmethyl methacrylate","","- C15 H16 Fe O2 -","- C15 H16 Fe O2 -","- C60 H64 Fe4 O8 -","4","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0365","0.0286","","","0.0679","0.0711","","","","","","1.047","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020307","8.7326","0.0003","10.3037","0.0003","11.0775","0.0004","64.245","0.002","77.333","0.002","77.167","0.002","866.7","0.05","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(methylene) dimethacrylate","","- C20 H22 Fe O4 -","- C20 H22 Fe O4 -","- C40 H44 Fe2 O8 -","2","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0403","0.0336","","","0.0842","0.0882","","","","","","1.05","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020309","10.2035","0.0011","16.6206","0.0016","14.4854","0.0011","90","","122.76","0.005","90","","2065.8","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C24 H16 Cl2 Co N4 -","- C24 H16 Cl2 Co N4 -","- C96 H64 Cl8 Co4 N16 -","4","1","LG3174","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan","Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization","Acta Crystallographica Section C","2016","72","1","6","13","10.1107/S2053229615022779","","","0.71073","MoKα","","0.0841","0.0413","","","0.0705","0.0818","","","","","","1.065","","","","has coordinates,has Fobs","176616","2020-10-21","18:00:00",""
"2020310","16.092","0.0008","11.1929","0.0006","14.1149","0.0008","90","","94.487","0.002","90","","2534.5","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dimethylformamide monosolvate","","- C27 H23 Cl2 Co N5 O -","- C27 H23 Cl2 Co N5 O -","- C108 H92 Cl8 Co4 N20 O4 -","4","1","LG3174","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan","Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization","Acta Crystallographica Section C","2016","72","1","6","13","10.1107/S2053229615022779","","","0.71073","MoKα","","0.0288","0.0247","","","0.0607","0.0634","","","","","","1.066","","","","has coordinates,has Fobs","176616","2020-10-21","18:00:00",""
"2020311","6.5667","0.0009","7.892","0.001","17.2051","0.0015","87.291","0.009","86.833","0.005","65.99","0.006","812.95","0.17","180","0.5","180","0.5","","","","","","","","5","P -1","-P 1","2","","2<i>H</i>-1,4-Benzotellurazin-3(4<i>H</i>)-one","","- C8 H7 N O Te -","- C8 H7 N O Te -","- C32 H28 N4 O4 Te4 -","4","2","","Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas","The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2016","72","1","1","5","10.1107/S2053229615022378","","","0.71073","MoKα","","0.0426","0.0335","","","0.0733","0.0767","","","","","","1.186","","","","has coordinates,has Fobs","176618","2020-10-21","18:00:00",""
"2020312","7.7404","0.0003","9.6523","0.0005","24.4699","0.001","90","","96","0.002","90","","1818.2","0.14","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","","- C9 H9 N O Te -","- C9 H9 N O Te -","- C72 H72 N8 O8 Te8 -","8","2","","Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas","The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2016","72","1","1","5","10.1107/S2053229615022378","","","1.54184","CuKα","","0.0458","0.035","","","0.0832","0.0886","","","","","","1.063","","","","has coordinates,has Fobs","176618","2020-10-21","18:00:00",""
"2020313","7.224","0.0018","12.935","0.003","22.0691","0.001","90","","90","","90","","2062.2","0.7","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:6,7-Di-<i>O</i>-cyclohexylidene-<i>D</i>-glycero-α-<i>L</i>-talo-heptopyranose methanol monosolvate","","- C20 H34 O8 -","- C20 H34 O8 -","- C80 H136 O32 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0387","0.0373","","","0.0984","0.0999","","","","","","1.081","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020314","7.593","0.006","8.542","0.007","26.7","0.02","90","","90","","90","","1732","2","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-Allyl-2-[(<i>S</i>)-2,3-dihydroxypropyl]-4-[(phenylsulfonyl)methyl]tetrahydrofuran-3-ol","","- C17 H24 O6 S -","- C17 H24 O6 S -","- C68 H96 O24 S4 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0358","0.033","","","0.0804","0.0821","","","","","","1.048","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020315","7.2703","0.0004","14.6512","0.0007","13.8246","0.0009","90","","90","","90","","1472.58","0.14","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","","- C10 H13 Co Cu N8 O -","- C10 H13 Co Cu N8 O -","- C40 H52 Co4 Cu4 N32 O4 -","4","0.5","KY3089","Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan","Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","Acta Crystallographica Section C","2016","72","1","21","27","10.1107/S2053229615021361","","","0.71073","MoKα","","0.0344","0.0316","","","0.1055","0.1078","","","","","","1.103","","","","has coordinates,has Fobs","176626","2020-10-21","18:00:00",""
"2020317","11.307","0.003","6.17","0.002","14.678","0.004","90","","111.06","0.03","90","","955.6","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Thymidine 3':5'-cyclic phosphate sodium salt heptahydrate","Sodium thymidine 3':5'-cyclic phosphate heptahydrate","","- C10 H26 N2 Na O14 P -","- C10 H26 N2 Na O14 P -","- C20 H52 N4 Na2 O28 P2 -","2","1","SK3608","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.0283","0.0261","","","0.0699","0.0708","","","","","","1.049","","","","has coordinates,has Fobs","176617","2020-10-21","18:00:00",""
"2020318","32.936","0.008","19.718","0.004","21.569","0.005","90","","112.18","0.03","90","","12971","6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Thymidine 3':5'-cyclic phosphate sodium salt 3.7-hydrate","Sodium thymidine 3':5'-cyclic phosphate 3.7-hydrate","","- C10 H19.4 N2 Na O10.7 P -","- C10 H14.8225 N2 Na O10.7189 P -","- C320 H474.32 N64 Na32 O343.004 P32 -","32","8","","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.1132","0.0521","","","0.0759","0.0821","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176617","2020-10-21","18:00:00",""
"2020319","8.5247","0.0005","10.9152","0.0006","15.1592","0.0008","82.98","0.002","79.248","0.002","70.022","0.002","1299.78","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Bis(1,3,5-triazaniumyl-1,3,5-trideoxy-<i>cis</i>-inositolate-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')germanium(IV) tetrachloride hexahydrate","Bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate","","- C12 H42 Cl4 Ge N6 O12 -","- C12 H42 Cl4 Ge N6 O12 -","- C24 H84 Cl8 Ge2 N12 O24 -","2","1","FP3019","Neis, Christian; Morgenstern, Bernd; Hegetschweiler, Kaspar","Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate","Acta Crystallographica Section C","2016","72","1","28","34","10.1107/S2053229615023165","","","0.71073","MoKα","","0.0187","0.0181","","","0.048","0.0483","","","","","","1.07","","","","has coordinates,has Fobs","176619","2020-10-21","18:00:00",""
"2020320","6.625","0.0003","22.4796","0.0013","8.6355","0.0004","90","","100.61","0.003","90","","1264.07","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(RS)-8-chloro-6-methyl-1,2,6,7-tetrahydropyrimido[5',4':6,7]azepino[3,2,1-hi]indole","","- C15 H14 Cl N3 -","- C15 H14 Cl N3 -","- C60 H56 Cl4 N12 -","4","1","SK3612","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives","Acta Crystallographica Section C","2016","72","1","52","56","10.1107/S2053229615023876","","","0.71073","MoKα","","0.0625","0.045","","","0.1058","0.1135","","","","","","1.076","","","","has coordinates,has Fobs","176620","2020-10-21","18:00:00",""
"2020321","8.184","0.001","9.5399","0.0012","10.2185","0.0019","104.471","0.007","101.049","0.006","111.324","0.005","683.4","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(RS)-9-chloro-7-methyl-2,3,7,8-tetrahydro-1H-pyrimido[5',4':6,7]azepino[3,2,1-ij]-quinoline","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C32 H32 Cl2 N6 -","2","1","SK3612","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives","Acta Crystallographica Section C","2016","72","1","52","56","10.1107/S2053229615023876","","","0.71073","MoKα","","0.0446","0.0384","","","0.0949","0.0978","","","","","","1.037","","","","has coordinates,has Fobs","176620","2020-10-21","18:00:00",""
"2020322","14.4127","0.0002","10.8942","0.0002","20.2348","0.0004","90","","104.84","0.0007","90","","3071.2","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ-chlorido-(μ-3,5-diaminobenzoato-κ^2^<i>O</i>:<i>O</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]","","- C7 H7 Cl2 Cu3 N2 O2 -","- C7 H7 Cl2 Cu3 N2 O2 -","- C84 H84 Cl24 Cu36 N24 O24 -","12","3","SK3607","Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.","An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^<i>O</i>:<i>O</i>':<i>N</i>:<i>N</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]","Acta Crystallographica Section C","2016","72","1","63","67","10.1107/S205322961502330X","","","0.71073","MoKα","","0.0813","0.0688","","","0.1868","0.2024","","","","","","1.036","","","","has coordinates,has Fobs","176625","2020-10-21","18:00:00",""
"2020323","13.9428","0.0003","9.3285","0.0002","13.6865","0.0003","90","","119.273","0.001","90","","1552.82","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Alpha-pyrrolidinopentiophenone chloride hydrate","1-(1-Oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride 0.786-hydrate","","- C15 H23.57 Cl N O1.79 -","- C15 H23.572 Cl N O1.786 -","- C60 H94.288 Cl4 N4 O7.144 -","4","1","LG3180","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate","Acta Crystallographica Section C","2016","72","1","48","51","10.1107/S2053229615023621","","","1.54178","CuKα","","0.0529","0.0475","","","0.111","0.115","","","","","","1.088","","","","has coordinates,has Fobs","176628","2020-10-21","18:00:00",""
"2020324","6.1037","0.0004","9.3345","0.0007","10.4146","0.0007","83.039","0.001","77.139","0.009","85.055","0.001","573.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-\ 1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","1","0.5","FA3380","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher","Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder","Acta Crystallographica Section C","2016","72","1","57","62","10.1107/S2053229615023578","","","0.71075","MoKα","","0.0748","0.0615","","","0.1686","0.1771","","","","","","1.075","","","","has coordinates,has Fobs","176629","2020-10-21","18:00:00",""
"2020325","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane- 1,2-diyl]bis(phenyldiazene), monoclinic polymorph","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","0.5","FA3380","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher","Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder","Acta Crystallographica Section C","2016","72","1","57","62","10.1107/S2053229615023578","","","0.71073","MoKα","","0.0662","0.0524","","","0.1163","0.1241","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176629","2020-10-21","18:00:00",""
"2020326","6.5716","0.0002","16.3193","0.0005","12.8982","0.0004","90","","91.219","0.003","90","","1382.94","0.07","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-<i>N</i>-methyl-4-nitrobenzohydrazide","","- C11 H13 N3 O3 S2 -","- C11 H13 N3 O3 S2 -","- C44 H52 N12 O12 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","0.71073","MoKα","","0.0408","0.0309","","","0.1069","0.1096","","","","","","1.178","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020327","28.5519","0.0016","7.9549","0.0004","21.393","0.0012","90","","111.841","0.005","90","","4510.2","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[Bis(benzylsulfanyl)methylidene]-<i>N</i>-methyl-4-nitrobenzohydrazide","","- C23 H21 N3 O3 S2 -","- C23 H21 N3 O3 S2 -","- C184 H168 N24 O24 S16 -","8","2","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","0.71073","MoKα","","0.0508","0.0337","","","0.0861","0.089","","","","","","0.898","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020328","7.3383","0.0002","31.5484","0.0008","8.0521","0.0002","90","","110.253","0.001","90","","1748.9","0.08","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(Benzylsulfanyl)(methylsulfanyl)methylidene]-4-nitrobenzohydrazide","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S2 -","- C64 H60 N12 O12 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","1.54178","CuKα","","0.0432","0.038","","","0.1008","0.1048","","","","","","1.031","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020329","9.4985","0.0008","11.3423","0.001","23.3697","0.0018","90","","98.263","0.004","90","","2491.6","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)","","- C22 H24 Cl3 N5 O2 Zn2 -","- C22 H24 Cl3 N5 O2 Zn2 -","- C88 H96 Cl12 N20 O8 Zn8 -","4","1","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.0496","0.0394","","","0.0938","0.099","","","","","","1.138","","","","has coordinates,has Fobs","176623","2020-10-21","18:00:00",""
"2020330","18.7061","0.0012","13.3342","0.0009","20.4516","0.0013","90","","90","","90","","5101.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)","","- C22 H24 Br3 N5 O2 Zn2 -","- C22 H24 Br3 N5 O2 Zn2 -","- C176 H192 Br24 N40 O16 Zn16 -","8","2","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.074","0.0396","","","0.0691","0.0779","","","","","","1.016","","","","has coordinates,has Fobs","176623","2020-10-21","18:00:00",""
"2020331","11.2516","0.0009","15.0606","0.001","18.3213","0.0014","112.087","0.003","94.38","0.003","90.486","0.003","2866.1","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Aquatribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-\ ylmethyl)ethylenediamine-<i>N</i>'-acetato]dicopper(II)‒tribromido[μ-\ <i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-\ <i>N</i>'-acetato]dicopper(II)‒water (1/1/6.5)","","- C44 H63 Br6 Cu4 N10 O11.5 -","- C44 H63 Br6 Cu4 N10 O11.5 -","- C88 H126 Br12 Cu8 N20 O23 -","2","1","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.1097","0.054","","","0.0976","0.1139","","","","","","0.997","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2020332","14.453","0.008","4.8879","0.0019","9.663","0.005","90","","103.24","0.02","90","","664.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquatetra-μ-fluorido-dioxidodivanadium(IV) monohydrate","","- F4 H6 O5 V2 -","- F4 H6 O5 V2 -","- F16 H24 O20 V8 -","4","0.5","FN3211","Black, Cameron; Lightfoot, Philip","V~2~O~2~F~4~(H~2~O)~2~·H~2~O: a new V^4+^ layer structure related to VOF~3~","Acta Crystallographica Section C","2016","72","1","80","83","10.1107/S2053229615024122","","","0.71073","MoKα","","0.0577","0.0348","","","0.0629","0.0707","","","","","","1.013","","","","has coordinates,has Fobs","176621","2020-10-21","18:00:00",""
"2020333","10.8229","0.0011","11.7395","0.0014","12.7637","0.0013","62.633","0.008","70.877","0.008","81.182","0.009","1360.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4<i>H</i>-pyrimidin-3-ide)‒[2-amino-6-chloropyrimidin-4(3<i>H</i>)-one] (1/3)","","- C21 H22 Cl4 N14 O4 -","- C21 H22 Cl4 N14 O4 -","- C42 H44 Cl8 N28 O8 -","2","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1004","0.0579","","","0.135","0.1491","","","","","","0.916","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020334","14.0097","0.0007","14.0185","0.0007","21.4229","0.0011","83.774","0.004","84","0.004","83.554","0.004","4137.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis-(2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4<i>H</i>-pyrimidin-3-ide)‒[2-amino-6-chloropyrimidin-4(3<i>H</i>)-one]‒2-aminopyridine (2/10/1)","","- C63 H66 Cl12 N42 O12 -","- C63 H66 Cl12 N42 O12 -","- C126 H132 Cl24 N84 O24 -","2","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1692","0.1358","","","0.3639","0.3786","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176622","2020-10-21","18:00:00",""
"2020335","9.8154","0.0013","9.9532","0.0008","14.344","0.002","90","","108.021","0.011","90","","1332.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one (1/1)","","- C5 H6 Br N3 O -","- C5 H6 Br N3 O -","- C40 H48 Br8 N24 O8 -","8","2","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.0912","0.0762","","","0.2178","0.2283","","","","","","1.078","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020336","11.7075","0.0014","14.0308","0.0011","11.8308","0.0014","90","","103.096","0.01","90","","1892.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one <i>N</i>-methylpyrrolidin-2-one monosolvate (1/1/1)","","- C15 H21 Br2 N7 O3 -","- C15 H21 Br2 N7 O3 -","- C60 H84 Br8 N28 O12 -","4","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.0712","0.0541","","","0.1363","0.1446","","","","","","0.998","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020337","9.27","0.005","11.423","0.004","12.559","0.007","90","","98.61","0.04","90","","1314.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one‒2-amino-6-chloropyrimidin-4(3<i>H</i>)-one (0.635/1/0.365)","","- C9.64 H11.27 Br1.64 Cl0.37 N6 O2 -","- C9.635 H11.27 Br1.635 Cl0.365 N6 O2 -","- C38.54 H45.08 Br6.54 Cl1.46 N24 O8 -","4","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1008","0.0926","","","0.1987","0.2021","","","","","","1.194","","","","has coordinates,has disorder,has Fobs","176622","2020-10-21","18:00:00",""
"2020338","7.0509","","7.0509","","8.5766","","90","","90","","120","","369.262","","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","","K2 Na (Ag (C N)2)3","","- C6 Ag3 K2 N6 Na -","- C6 Ag3 K2 N6 Na -","- C6 Ag3 K2 N6 Na -","1","0.0833333","","Zabel, M.; Kuehnel, S.; Range, K.J.","Dipotassium sodium tris(dicyanoargentate(I))","Acta Crystallographica C (39,1983-)","1989","45","","1619","1621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020339","9.384","","9.384","","18.899","","90","","90","","120","","1441.27","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb (U O2) (N O3)3","","- N3 O11 Rb U -","- N3 O11 Rb U -","- N18 O66 Rb6 U6 -","6","0.166667","","Zalkin, A.; Templeton, L.K.; Templeton, D.H.","Structure of rubidium uranyl(VI) trinitrate","Acta Crystallographica C (39,1983-)","1989","45","","810","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020340","9.8123","","9.8123","","14.274","","90","","90","","90","","1374.32","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sc7 Re3.345 Si10.654","","- Re3.345 Sc7 Si10.654 -","- Re3.346 Sc7 Si10.654 -","- Re13.384 Sc28 Si42.616 -","4","0.125","","Zhao, J.-T.; Chabot, B.; Parthe, E.","Sc7Re4Si10, a ternary substitution variant of the Ho11Ge10 type","Acta Crystallographica C (39,1983-)","1988","44","","397","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","171889","2020-10-21","18:00:00",""
"2020341","3.9812","","9.688","","13.111","","90","","90","","90","","505.69","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sc3 Ni2 Si3","","- Ni2 Sc3 Si3 -","- Ni2 Sc3 Si3 -","- Ni8 Sc12 Si12 -","4","0.25","","Zhao, J.T.; Parthe, E.","Sc3 Ni2 Si3 with Hf3 Ni2 Si3-type structure, an intergrowth of Cr B-, Th Cr2 Si2- and W-type slabs","Acta Crystallographica C (39,1983-)","1989","45","","1853","1856","","","","","","","","","","","","","","","","","","","","","","has coordinates","171890","2020-10-21","18:00:00",""
"2020342","8.3777","","11.276","","6.434","","90","","90","","90","","607.8","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 (Se O4)","","- Cs2 O4 Se -","- Cs2 O4 Se -","- Cs8 O16 Se4 -","4","0.5","","Zuniga, F.J.; Breczewski, T.; Arnaiz, A.","Structure of cesium selenate","Acta Crystallographica C (39,1983-)","1991","47","","638","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020343","5.191","","8.748","","14.448","","90","","94.81","","90","","653.786","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fe (H3 O) (H P O4)2","","- Fe H5 O9 P2 -","- Fe H2 O9 P2 -","- Fe4 H8 O36 P8 -","4","1","","Vencato, I.; Mattievich, E.; Moreira, L.F.; Mascarenhas, Y.P.","The structure of ferric oxonium bis(hydrogenphosphate), Fe(3+) (H3 O)(+) (P O4 H)2(2-)","Acta Crystallographica C (39,1983-)","1989","45","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020344","7.701","","9.997","","8.341","","90","","104.82","","90","","620.786","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs V (P2 O7)","","- Cs O7 P2 V -","- Cs O7 P2 V -","- Cs4 O28 P8 V4 -","4","1","","Wang, Y.P.; Lii, K.-H.","Structure of Cs V P22 O7","Acta Crystallographica C (39,1983-)","1989","45","","1210","1211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020345","7.324","","7.93","","9.586","","90","","111.96","","90","","516.354","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na V (P2 O7)","","- Na O7 P2 V -","- Na O7 P2 V -","- Na4 O28 P8 V4 -","4","1","","Wang, Y.P.; Lii, K.-H.; Wang, S.-L.","Structure of Na V P2 O7","Acta Crystallographica C (39,1983-)","1989","45","","1417","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020346","11.929","","7.704","","5.816","","90","","100.02","","90","","526.344","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs2 (U O2 Cl4)","","- Cl4 Cs2 O2 U -","- Cl4 Cs2 O2 U -","- Cl8 Cs4 O4 U2 -","2","0.25","","Watkin, D.J.; Prout, K.; Denning, R.G.","Structure of dicesium tetrachlorodioxouranium(VI)","Acta Crystallographica C (39,1983-)","1991","47","","2517","2519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020347","9.139","","3.694","","13.875","","90","","90","","90","","468.413","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn Hf S3","","- Hf S3 Sn -","- Hf S3 Sn -","- Hf4 S12 Sn4 -","4","0.5","","Wiegers, G.A.; Meetsma, A.; Haange, R.J.; de Boer, J.L.","Structure of tin hafnium sulfide and lead hafnium sulfide","Acta Crystallographica C (39,1983-)","1989","45","","847","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020348","8.988","","3.739","","13.924","","90","","90","","90","","467.932","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb Hf S3","","- Hf Pb S3 -","- Hf Pb S3 -","- Hf4 Pb4 S12 -","4","0.5","","Wiegers, G.A.; Meetsma, A.; Haange, R.J.; de Boer, J.L.","Structure of tin hafnium sulfide and lead hafnium sulfide","Acta Crystallographica C (39,1983-)","1989","45","","847","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020349","10.2101","","10.2101","","12.6172","","90","","90","","120","","1139.08","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba4 (Pt O6)","","- Ba4 O6 Pt -","- Ba4 O6 Pt -","- Ba24 O36 Pt6 -","6","0.166667","","Wilkinson, A.P.; Cheetham, A.K.","The structure of Ba4 Pt O6 from time-of-flight powder neutron diffraction data","Acta Crystallographica C (39,1983-)","1989","45","","1672","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020350","12.861","","12.861","","5.284","","90","","90","","90","","874.002","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Mo8 Ga40.88 S.86","","- Ga40.88 Mo8 S0.86 -","- Ga40.884 Mo8 S0.86 -","- Ga40.884 Mo8 S0.86 -","1","0.0625","","Wolcyrz, M.; Andruszkiewicz, R.; Lukaszewicz, K.","Structure of Mo8 Ga41 S","Acta Crystallographica C (39,1983-)","1989","45","","991","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","172012","2020-10-21","18:00:00",""
"2020351","10.62","","5.37","","9.441","","90","","148.87","","90","","278.35","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Pd7 Se2 -","- Pd7 Se2 -","- Pd14 Se4 -","2","0.5","","Sato, S.; Takabatake, T.; Ishikawa, M.","Structures of superconducting palladium selenides, Pd7 Se2 and Pd34 Se11","Acta Crystallographica C (39,1983-)","1989","45","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020352","12.03","","5.504","","22.776","","90","","111.96","","90","","1398.65","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Pd34 Se11 -","- Pd34 Se11 -","- Pd68 Se22 -","2","0.5","","Sato, S.; Takabatake, T.; Ishikawa, M.","Structures of superconducting palladium selenides, Pd7 Se2 and Pd34 Se11","Acta Crystallographica C (39,1983-)","1989","45","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020353","5.159","","9.106","","23.755","","100.94","","90.3","","93","","1094.05","","","","","","","","","","","","","2","P -1","-P 1","2","","(Al4 Re)14.2","","- Al54.75 Re14 -","- Al54.75 Re14 -","- Al54.75 Re14 -","1","0.5","","Schuster, J.C.; Parthe, E.","Triclinic Re Al~4, a periodic domain structure variant of the monoclinic W Al4 type","Acta Crystallographica C (39,1983-)","1987","43","","620","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","172114","2020-10-21","18:00:00",""
"2020354","8.037","","8.037","","7.352","","90","","90","","120","","411.267","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Fe2 (H P O3)3","","- Fe2 H3 O9 P3 -","- Fe2 H3 O9 P3 -","- Fe4 H6 O18 P6 -","2","0.166667","","Sghyar, M.; Rafiq, M.; Cot, L.; Durand, J.","Structure du phosphite de fer: Fe2 (P O3 H)3","Acta Crystallographica C (39,1983-)","1991","47","","2515","2517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020355","7.827","","8.397","","11.05","","90","","110.76","","90","","679.09","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs2 (Cd I4)","","- Cd Cs2 I4 -","- Cd Cs2 I4 -","- Cd2 Cs4 I8 -","2","0.5","","Sjoevall, R.","Structure of dicesium tetraiodocadmiate(II)","Acta Crystallographica C (39,1983-)","1989","45","","667","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020356","9.0696","","7.8952","","9.6295","","90","","93.26","","90","","688.417","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Br O3)2 (H2 O)","","- Ba Br2 H2 O7 -","- Ba Br2 H2 O7 -","- Ba4 Br8 H8 O28 -","4","0.5","","Templeton, L.K.; Templeton, D.H.","Structure of barium bromate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","672","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020357","21.024","","13.602","","7.1287","","90","","90","","90","","2038.58","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cs (Sb O) (Si2 O6)","","- Cs O7 Sb Si2 -","- Cs O7 Sb Si2 -","- Cs12 O84 Sb12 Si24 -","12","3","","Pagnoux, C.; Verbaere, A.; Tournoux, M.; Piffard, Y.","CsSbO(SiO3)2: A new (uB, 1-1-infinite)(12SiO3) chain silicate","Acta Crystallographica C (39,1983-)","1991","47","","2297","2299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020358","11.886","","11.644","","6.1888","","90","","90","","90","","856.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Re (C O)5 Br)","","- C5 Br O5 Re -","- C5 Br O5 Re -","- C20 Br4 O20 Re4 -","4","0.5","","Porter, L.C.; Reid, A.H.; Fackler, J.P.jr.","Structure of bromopentacarbonylrhenium(I)","Acta Crystallographica C (39,1983-)","1992","48","","908","909","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020359","6.572","","3.71","","17.346","","90","","92.05","","90","","422.662","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na (Ag (C N)2)","","- C2 Ag N2 Na -","- C2 Ag N2 Na -","- C8 Ag4 N8 Na4 -","4","0.5","","Range, K.J.; Kuehnel, S.; Zabel, M.","Sodium dicyanoargentate(I)","Acta Crystallographica C (39,1983-)","1989","45","","1419","1420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020360","4.016","","4.016","","48.734","","90","","90","","120","","680.691","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Mn2 In2 Se5","","- In2 Mn2 Se5 -","- In2 Mn2 Se5 -","- In6 Mn6 Se15 -","3","0.0833333","","Range, K.J.; Klement, U.; Doell, G.; Bucher, E.; Baumann, J.R.","Dimanganese diindium pentaselenide, Mn2 In2 Se5","Acta Crystallographica C (39,1983-)","1992","48","","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","172402","2020-10-21","18:00:00",""
"2020361","6.75","","6.726","","8.993","","90","","90","","90","","408.287","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Na2 (O H)4","","- Cu H4 Na2 O4 -","- Cu H4 Na2 O4 -","- Cu4 H16 Na8 O16 -","4","1","","Riou, A.; Cudennec, Y.; Gerault, Y.","Copper disodium tetrahydroxide","Acta Crystallographica C (39,1983-)","1989","45","","374","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020362","10.021","","13.331","","4.673","","90","","104.9","","90","","603.276","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Co3 (P O4)2 (H2 O)8","","- Co3 H16 O16 P2 -","- Co3 H16 O16 P2 -","- Co6 H32 O32 P4 -","2","0.25","","Riou, A.; Cudennec, Y.; Gerault, Y.","Cobalt(II) orthophosphate octahydrate","Acta Crystallographica C (39,1983-)","1989","45","","1412","1413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020363","4.2965","","4.2965","","13.2285","","90","","90","","90","","244.197","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba2 Pb O4","","- Ba2 O4 Pb -","- Ba2 O4 Pb -","- Ba4 O8 Pb2 -","2","0.0625","","Rosseinsky, M.J.; Prassides, K.","Time-of-flight powder neutron diffraction study of the structure ofBa2PbO4","Acta Crystallographica C (39,1983-)","1991","47","","2519","2522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020364","16.96","","7.7144","","6.9963","","90","","90.394","","90","","915.348","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ca (P O3)2","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","Rothammel, W.; Burzlaff, H.; Specht, R.","Structure of calcium metaphosphate Ca (P O3)2","Acta Crystallographica C (39,1983-)","1989","45","","551","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020365","11.38","","9.281","","11.714","","90","","90","","90","","1237.21","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Tl2 S3 N3) (S4 N5)","","- N8 S7 Tl2 -","- N8 S7 Tl2 -","- N32 S28 Tl8 -","4","0.5","","Martan, H.; Weiss, J.","Dithalliumtrischwefeltrinitrid-tetraschwefelpentanitrid, Tl2 S7 N8","Acta Crystallographica C (39,1983-)","1983","39","","959","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","172479","2020-10-21","18:00:00",""
"2020366","14.394","","24.544","","26.616","","90","","89.98","","90","","9403.07","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl192 K96 Zn48 -","48","12","","Mashiyama, H.","Low-temperature commensurate phase of potassium tetrachlorozincate, K2 Zn Cl4","Acta Crystallographica C (39,1983-)","1993","49","","9","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020367","10.609","","3.864","","10.429","","90","","90","","90","","427.518","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy2 S3 -","- Dy2 S3 -","- Dy8 S12 -","4","0.5","","Meetsma, A.; Wiegers, G.A.; Haange, R.J.; de Boer, J.L.; Boom, G.","Structure of two modifications of dysprosium sesquisulfide, Dy2S3","Acta Crystallographica C (39,1983-)","1991","47","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020368","7.353","","7.578","","5.231","","90.83","","95.58","","103","","282.462","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba Cu (P2 O7)","","- Ba Cu O7 P2 -","- Ba Cu O7 P2 -","- Ba2 Cu2 O14 P4 -","2","1","","Moqine, A.; Boukhari, A.; Holt, E.M.","Structure of BaCuP2O7","Acta Crystallographica C (39,1983-)","1991","47","","2294","2297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020369","25.715","","12.857","","6.787","","90","","90","","90","","2243.9","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","K Ag (N O2)2 (H2 O).5","","- Ag H K N2 O4.5 -","- Ag K N2 O4.5 -","- Ag16 K16 N32 O72 -","16","1","","Okamura, Y.; Ishihara, M.; Ohba, S.; Saito, Y.","Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate","Acta Crystallographica C (39,1983-)","1989","45","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020370","10.342","","10.342","","10.342","","90","","90","","90","","1106.15","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Zn3 (Fe (C N)6)2)1.3333 (H2 O)19.22","","- C15.9996 H38.44 Fe2.6666 N15.9996 O19.22 Zn3.9999 -","- C16.0008 Fe2.6668 N16.0008 O19.2232 Zn4 -","- C16.0008 Fe2.6668 N16.0008 O19.2232 Zn4 -","1","0.00520833","","Gravereau, P.; Garnier, E.","Structure de la Phase Cubique de l'Hexacyanoferrate(III) de Zinc: Zn3(Fe(C N)6)2 * n H2 O","Acta Crystallographica C (39,1983-)","1984","40","","1306","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","172724","2020-10-21","18:00:00",""
"2020371","10.487","","13.85","","10.617","","90","","91.62","","90","","1541.45","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mo O3 (D2 O)2","","- D4 Mo O5 -","- D4 Mo O5 -","- D64 Mo16 O80 -","16","4","","Crouch-Baker, S.; Dickens, P.G.","The deuterium-atom positions in deuterated molybdic acid, Mo O3 (D2 O)2, by powder neutron diffraction","Acta Crystallographica C (39,1983-)","1984","40","","1121","1124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020372","12.889","","25.096","","16.189","","90","","94.812","","90","","5218.08","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na6 H4 (Bi2 Ni1.62 W20.38 O70 (H2 O)6) (H2 O)36","","- Bi2 H88 Na6 Ni1.62 O112 W20.38 -","- Bi2 Na5.998 Ni1.62 O112 W20.38 -","- Bi4 Na11.996 Ni3.24 O224 W40.76 -","2","0.5","","Rosu, C.; Weakley, T.J.R.","Hexasodium tetrahydrogen (di(triaquanickelo)icosatungstodibismuthate(III)(10-)) 36-hydrate, Na6 H4 (Bi2 Ni2 W20 O70 (H2 O)6) . 36(H2 O)","Acta Crystallographica C (39,1983-)","1999","55","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020373","13.729","","13.729","","13.729","","90","","90","","90","","2587.72","","","","","","","","","","","","","6","I 41 3 2","I 4bd 2c 3","214","","Na13 Al24 Si13 P11 O96 (H2 O)16","","- Al24 H32 Na13 O112 P11 Si13 -","- Al24 Na12.96 O112 P11.04 Si12.96 -","- Al24 Na12.96 O112 P11.04 Si12.96 -","1","0.0208333","","Artioli, G.; Pluth, J.J.; Smith, J.V.","Synthetic Phosphorus-Substituted Analcime, Na13 Al24 Si13 P11 O96 * 16H2 O, with Ordered Al and Si/P","Acta Crystallographica C (39,1983-)","1984","40","","214","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020374","11.584","","7.174","","13.959","","90","","94.61","","90","","1156.29","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs (B5 O6 (O H)4) (H2 O)2","","- B5 Cs H8 O12 -","- B5 Cs H8 O12 -","- B20 Cs4 H32 O48 -","4","1","","Behm, H.","Structure determination on a twinned crystal of cesium pentaborate tetrahydrate, Cs (B5 O6 (O H)4) (H2 O)2","Acta Crystallographica C (39,1983-)","1984","40","","1114","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020375","21.962","","17.763","","3.9165","","90","","90","","90","","1527.87","","","","","","","","","","","","","4","P m a b","-P 2b 2a","57","","Na7 Nb15 W13 O80","","- Na7 Nb15 O80 W13 -","- Na6 Nb15.07 O80 W12.93 -","- Na6 Nb15.07 O80 W12.93 -","1","0.125","","Marinder, B.O.; Sundberg, M.R.","Na7 Nb15 W13 O80 - A New Type of Tunnel Structure Studied by X-ray Diffraction and HREM Techniques","Acta Crystallographica C (39,1983-)","1984","40","","1303","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020376","23.698","","3.98","","24.466","","90","","93.9","","90","","2302.24","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Pb4 Sb6 S13","","- Pb4 S13 Sb6 -","- Pb4 S13 Sb6 -","- Pb16 S52 Sb24 -","4","0.5","","Skowron, A.; Brown, I.D.","Refinement of the structure of robinsonite, Pb4 Sb6 S13","Acta Crystallographica C (39,1983-)","1990","46","","527","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020377","8.34","","17.069","","8.813","","90","","91.47","","90","","1254.17","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rb Bi (Cr2 O7)2","","- Bi Cr4 O14 Rb -","- Bi Cr4 O14 Rb -","- Bi4 Cr16 O56 Rb4 -","4","1","","Gerault, Y.; Cudennec, Y.; Riou, A.; le Marouille, J.Y.","Bis(dichromate) de bismuth et de rubidium, Rb Bi (Cr2 O7)2","Acta Crystallographica C (39,1983-)","1984","40","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020378","6.107","","22.952","","10.54","","90","","90","","90","","1477.37","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Ba2 (Ti O4)","","- Ba2 O4 Ti -","- Ba2 O4 Ti -","- Ba24 O48 Ti12 -","12","3","","Guenter, J.R.; Jameson, G.B.","Orthorhombic barium orthotitanate, alpha'-Ba2 Ti O4","Acta Crystallographica C (39,1983-)","1984","40","","207","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020379","7.692","","7.692","","12.679","","90","","90","","90","","750.177","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Hg2.881 Nb F6","","- F6 Hg2.881 Nb -","- F6 Hg2.8816 Nb -","- F24 Hg11.5264 Nb4 -","4","0.125","","Tun, Z.; Brown, I.D.; Ummat, P.K.","The Room-Temperature Structures of Mercury Niobium Fluoride, Hg3-d Nb F6, and Mercury Tantalum Fluoride, Hg3-d Ta F6","Acta Crystallographica C (39,1983-)","1984","40","","1301","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020380","7.711","","7.711","","12.714","","90","","90","","90","","755.968","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Hg2.884 Ta F6","","- F6 Hg2.884 Ta -","- F6 Hg2.8832 Ta -","- F24 Hg11.5328 Ta4 -","4","0.125","","Tun, Z.; Brown, I.D.; Ummat, P.K.","The Room-Temperature Structures of Mercury Niobium Fluoride, Hg3-d Nb F6, and Mercury Tantalum Fluoride, Hg3-d Ta F6","Acta Crystallographica C (39,1983-)","1984","40","","1301","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020381","11.302","","10.962","","9.335","","90","","90","","90","","1156.54","","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","Rb B5 O6 (O H)4 (H2 O)2","","- B5 H8 O12 Rb -","- B5 H8 O12 Rb -","- B20 H32 O48 Rb4 -","4","0.5","","Behm, H.","Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2","Acta Crystallographica C (39,1983-)","1984","40","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020382","9.062","","9.582","","9.405","","90","","112.96","","90","","751.958","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca (Mn Br4) (H2 O)8","","- Br4 Ca H16 Mn O8 -","- Br4 Ca H12 Mn O8 -","- Br8 Ca2 H24 Mn2 O16 -","2","0.25","","Duhlev, R.; Brown, I.D.","Structure of calcium manganese(II) tetrabromide octahydrate","Acta Crystallographica C (39,1983-)","1990","46","","538","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020383","11.355","","19.783","","4.042","","90","","90","","90","","907.979","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Pb2 Sb2 S5","","- Pb2 S5 Sb2 -","- Pb2 S5 Sb2 -","- Pb8 S20 Sb8 -","4","0.5","","Skowron, A.; Brown, I.D.","Structure of Pb2 Sb2 S5","Acta Crystallographica C (39,1983-)","1990","46","","534","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020384","6.3","","11.929","","7.176","","90","","91.62","","90","","539.08","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ca N H4 P O4 (H2 O)7","","- Ca H18 N O11 P -","- Ca H18 N O11 P -","- Ca2 H36 N2 O22 P2 -","2","1","","Takagi, S.; Brown, W. E.; Mathew, M.","Structure of Ammonium Calcium Phosphate Heptahydrate, Ca (N H4) P O4 (H2 O)7","Acta Crystallographica C (39,1983-)","1984","40","","1111","1113","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2020385","4.1713","0.0001","14.7792","0.0004","16.1755","0.0004","90","","90","","90","","997.19","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Acetylphenyl)-2-chloroacetamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.0457","0.038","","","0.1","0.106","","","","","","1.051","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020386","9.7969","0.0015","17.594","0.003","9.6425","0.0015","90","","90","","90","","1662","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Acetylanilino)-2-oxoethyl cinnamate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.1528","0.0568","","","0.0921","0.1194","","","","","","0.986","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020388","5.3844","0.0005","7.3682","0.0007","9.7405","0.0009","104.395","0.001","102.234","0.001","97.2263","0.0008","359.25","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethylene-1,2-diyl)dipyridinium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","1","0.5","FA3378","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.","Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide","Acta Crystallographica Section C","2016","72","2","","","10.1107/S2053229615024833","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates,has Fobs","174508","2020-10-21","18:00:00",""
"2020389","5.7608","0.0003","6.4257","0.0003","9.6848","0.0005","80.7074","0.0011","81.2351","0.001","70.8554","0.0005","332.33","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","1,1'-(Ethylene-1,2-diyl)dipyridinium dibromide","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","1","0.5","","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.","Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide","Acta Crystallographica Section C","2016","72","2","","","10.1107/S2053229615024833","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.3","","","","","","","has coordinates,has Fobs","174508","2020-10-21","18:00:00",""
"2020390","19.3239","0.0017","22.921","0.002","4.1385","0.0004","90","","90","","90","","1833","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nobiletin","2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4<i>H</i>-chromen-4-one","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","1","YO3016","Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru","Nobiletin: a citrus flavonoid displaying potent physiological activity","Acta Crystallographica Section C","2016","72","2","124","127","10.1107/S2053229616000577","","","0.70041","Synchrotron(SPring-8BL02B1)","","0.0805","0.0651","","","0.1854","0.1915","","","","","","1.294","","","","has coordinates,has Fobs","177466","2020-10-21","18:00:00",""
"2020391","6.7342","0.001","7.8271","0.001","10.7822","0.0017","90","","96.442","0.013","90","","564.73","0.14","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","Morpholinium salicylate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-hydroxybenzoate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0514","0.0409","","","0.083","0.0906","","","","","","1.051","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020392","17.8382","0.0011","10.322","0.0007","14.5599","0.0011","90","","101.06","0.006","90","","2631.1","0.3","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Morpholinium 3,5-dinitrosalicylate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-carboxy-4,6-dinitrophenolate","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C88 H104 N24 O64 -","8","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0523","0.0386","","","0.0893","0.0978","","","","","","1.032","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020393","21.208","0.002","5.6443","0.0004","23.9753","0.0019","90","","116.326","0.012","90","","2572.3","0.5","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Morpholinium 3,5-dinitrobenzoate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 3,5-dinitrobenzoate","","- C11 H13 N3 O7 -","- C11 H13 N3 O7 -","- C88 H104 N24 O56 -","8","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0981","0.0558","","","0.0971","0.1138","","","","","","0.99","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020394","9.1015","0.0007","7.1128","0.0006","19.2693","0.0016","90","","91.233","0.007","90","","1247.15","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Morpholinium 4-nitroanthranilate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-amino-4-nitrobenzoate","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C44 H60 N12 O20 -","4","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0469","0.0374","","","0.0892","0.0946","","","","","","1.057","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020395","20.526","0.003","7.5873","0.001","15.473","0.002","90","","105.598","0.002","90","","2321","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C24 H16 N4 O8 Zn -","- C24 H16 N4 O8 Zn -","- C96 H64 N16 O32 Zn4 -","4","1","","Tang, Long; Wang, Ji-Jiang; Fu, Feng; Wang, Sheng-Wen; Liu, Qi-Rui","A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2016","72","2","128","132","10.1107/S2053229616000516","","","0.71073","MoKα","","0.0554","0.0418","","","0.1029","0.1133","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","177473","2020-10-21","18:00:00",""
"2020396","8.4421","0.0017","11.435","0.002","11.909","0.002","111.67","0.03","107.76","0.03","95.87","0.03","987","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis{μ~4~-1-[(2-oxidophenyl)carbonyl]-2-(propanamidomethanethioyl)hydrazine-1,2-diido}tetracopper(II) dimethylformamide disolvate","","- C32 H40 Cu4 N8 O12 S2 -","- C32 H40 Cu4 N8 O12 S2 -","- C32 H40 Cu4 N8 O12 S2 -","1","0.5","QS3052","Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang","Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands","Acta Crystallographica Section C","2016","72","2","119","123","10.1107/S2053229616000310","","","0.71073","MoKα","","0.0591","0.0483","","","0.1","0.106","","","","","","1.115","","","","has coordinates,has Fobs","177475","2020-10-21","18:00:00",""
"2020397","9.959","0.002","10.531","0.002","12.617","0.003","81.35","0.03","82.13","0.03","65.6","0.03","1187.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ~2~-[(2-hydroxyphenyl)formamido](propanamidomethanethioyl)azanido}bis[(4,4'-bipyridine)nitratocadmium(II)] dihydrate","","- C42 H44 Cd2 N12 O14 S2 -","- C42 H44 Cd2 N12 O14 S2 -","- C42 H44 Cd2 N12 O14 S2 -","1","0.5","QS3052","Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang","Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands","Acta Crystallographica Section C","2016","72","2","119","123","10.1107/S2053229616000310","","","0.71073","MoKα","","0.0384","0.0292","","","0.0662","0.0708","","","","","","0.857","","","","has coordinates,has Fobs","177475","2020-10-21","18:00:00",""
"2020398","9.5585","0.0005","10.0434","0.0004","10.6027","0.0005","92.365","0.004","94.032","0.004","103.509","0.004","985.5","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]bis(2,2'-bipyridine)dizinc(II)] monohydrate]","","- C42 H34 N4 O14 Zn2 -","- C42 H34 N4 O14 Zn2 -","- C42 H34 N4 O14 Zn2 -","1","0.5","LF3022","Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo","Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","Acta Crystallographica Section C","2016","72","2","99","104","10.1107/S2053229615023967","","","0.71065","MoKα","","0.0471","0.0404","","","0.1128","0.1189","","","","","","1.073","","","","has coordinates,has Fobs","177477","2020-10-21","18:00:00",""
"2020399","6.8275","0.0004","12.7613","0.0007","14.877","0.0011","106.134","0.006","101.602","0.006","97.496","0.005","1195.55","0.14","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(1,10-phenanthroline)[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]dicadmium(II)] dimethylformamide monosolvate]","","- C52 H44 Cd2 N6 O14 -","- C52 H44 Cd2 N6 O14 -","- C52 H44 Cd2 N6 O14 -","1","0.5","LF3022","Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo","Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","Acta Crystallographica Section C","2016","72","2","99","104","10.1107/S2053229615023967","","","1.54184","CuKα","","0.0349","0.0299","","","0.0672","0.0726","","","","","","0.957","","","","has coordinates,has Fobs","177477","2020-10-21","18:00:00",""
"2020400","8.3119","0.0007","10.7358","0.0008","12.2031","0.001","106.332","0.004","90.296","0.005","93.842","0.005","1042.33","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","","11-Carboxymethyl-1,8-tetraaza-4,11-diazoniabicyclo[6.6.2]hexadecane-4-acetate chloride trihydrate","","- C16 H37 Cl N4 O7 -","- C16 H37 Cl N4 O7 -","- C32 H74 Cl2 N8 O14 -","2","1","SK3611","Jurek, Paul; Reibenspies, Joseph H.; Kiefer, Garry E.","CB-TE2A^+^·Cl^{-^}·3H~2~O: a short intermolecular hydrogen bond between zwitterionic bicyclo[6.6.2]tetraamine macrocycles","Acta Crystallographica Section C","2016","72","2","139","142","10.1107/S2053229616000358","","","1.54178","CuKα","","0.0419","0.0331","","","0.0909","0.0947","","","","","","1.036","","","","has coordinates,has Fobs","177467","2020-10-21","18:00:00",""
"2020401","7.3974","0.0008","16.5945","0.0019","10.3281","0.0012","90","","104.815","0.001","90","","1225.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(pyridine-κ<i>N</i>)zinc(II)]","","- C13 H9 N O4 Zn -","- C13 H9 N O4 Zn -","- C52 H36 N4 O16 Zn4 -","4","1","LF3027","Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling","Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands","Acta Crystallographica Section C","2016","72","2","133","138","10.1107/S2053229616000814","","","0.71073","MoKα","","0.0384","0.0265","","","0.0605","0.0648","","","","","","1.008","","","","has coordinates,has Fobs","177474","2020-10-21","18:00:00",""
"2020402","20.8487","0.0011","8.9363","0.0005","20.736","0.0011","90","","117.032","0.001","90","","3441.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(pyridine-κ<i>N</i>)cobalt(II)]","","- C18 H16 Co N2 O5 -","- C18 H16 Co N2 O5 -","- C144 H128 Co8 N16 O40 -","8","1","","Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling","Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands","Acta Crystallographica Section C","2016","72","2","133","138","10.1107/S2053229616000814","","","0.71073","MoKα","","0.034","0.0267","","","0.0681","0.072","","","","","","1","","","","has coordinates,has Fobs","177474","2020-10-21","18:00:00",""
"2020403","13.1337","0.0005","9.8973","0.0004","14.5191","0.0006","90","","116.449","0.005","90","","1689.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)]","","- C30 H38 Co2 N2 O18 -","- C30 H38 Co2 N2 O18 -","- C60 H76 Co4 N4 O36 -","2","0.5","LF3026","Xie, Min; Xu, Guo-Hai","Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands","Acta Crystallographica Section C","2016","72","2","143","148","10.1107/S2053229616000504","","","0.71069","MoKα","","0.038","0.0299","","","0.0757","0.0803","","","","","","1.036","","","","has coordinates","177476","2020-10-21","18:00:00",""
"2020404","10.114","0.0003","10.1578","0.0004","11.9844","0.0004","72.725","0.002","87.397","0.002","78.487","0.002","1151.91","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cu complex","<i>catena</i>-Poly[[[μ~2~-<i>N</i>,<i>N</i>'-bis(2-oxidobenzylidene)-2,2-dimethylpropane-1,3-diamine-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>']dicopper]-di-μ-dicyanamido-1:2'κ^2^<i>N</i>^1^:<i>N</i>^5^;2:1'κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C23 H20 Cu2 N8 O2 -","- C23 H20 Cu2 N8 O2 -","- C46 H40 Cu4 N16 O4 -","2","1","LF3025","Hopa, Cigdem; Cokay, Ismail","Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands","Acta Crystallographica Section C","2016","72","2","149","154","10.1107/S2053229616000978","","","0.71073","MoKα","","0.0314","0.0269","","","0.0697","0.0719","","","","","","1.045","","","","has coordinates,has Fobs","177469","2020-10-21","18:00:00",""
"2020405","10.5079","0.0008","12.7461","0.0009","14.585","0.0013","111.551","0.007","95.979","0.007","98.854","0.006","1767.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxido-di-μ~3~-oxido-tetraoxidooctakis(pyridine-κ<i>N</i>)bis(μ~5~-salicylhydroxamato)hexanickel(II)dimolybdenum(VI) dihydrate","","- C62 H64 Mo2 N10 Ni6 O23 -","- C62 H63.956 Mo2 N10 Ni6 O22.978 -","- C62 H63.956 Mo2 N10 Ni6 O22.978 -","1","0.5","QS3051","Dou, Ming-Yu; Lu, Jing","A novel octanuclear nickel(II)‒molybdenum(VI) heterometallic cluster based on the salicylhydroxamate ligand","Acta Crystallographica Section C","2016","72","2","161","165","10.1107/S2053229616000243","","","0.71073","MoKα","","0.0804","0.0468","","","0.0863","0.1044","","","","","","1.036","","","","has coordinates,has Fobs","177468","2020-10-21","18:00:00",""
"2020406","6.4055","0.0014","11.587","0.003","15.805","0.004","90","","90","","90","","1173.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-μ-aqua-[μ~4~-4,4'-diazenediyl-bis(5-oxo-1<i>H</i>-1,2,4-triazolido)]disodium(I)]","","- C4 H10 N8 Na2 O6 -","- C4 H10 N8 Na2 O6 -","- C16 H40 N32 Na8 O24 -","4","0.5","OV3073","Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie","Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)","Acta Crystallographica Section C","2016","72","2","166","169","10.1107/S2053229616001509","","","0.71073","MoKα","","0.0427","0.0343","","","0.0834","0.0867","","","","","","1.049","","","","has coordinates,has Fobs","177471","2020-10-21","18:00:00",""
"2020407","5.4867","0.0017","9.8381","0.0003","50.3061","0.0017","90","","90","","90","","2715.5","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium chloride","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","2","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.0646","0.0485","","","0.0868","0.0932","","","","","","1.058","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020408","5.3048","0.0003","24.4966","0.0014","11.0163","0.0006","90","","96.731","0.005","90","","1421.7","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium chloride monohydrate","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.078","0.0437","","","0.0852","0.0994","","","","","","1.032","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020409","5.4857","0.0002","24.5526","0.0009","10.9796","0.0004","90","","96.931","0.003","90","","1468.02","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium bromide monohydrate","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.0528","0.0361","","","0.0708","0.0779","","","","","","1.02","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020410","8.5194","0.0003","10.0059","0.0003","10.2685","0.0003","82.304","0.003","84.182","0.002","78.163","0.002","846.53","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dichloridocobalt(II)]-bis[μ-<i>N</i>,</i>N</i>'-bis(pyridin-3-yl)oxalamide-κ^2^<i>N</i>:<i>N</i>']] dimethylformamide disolvate]","","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","1","0.5","","Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun","Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules","Acta Crystallographica Section C","2016","72","2","170","173","10.1107/S205322961600156X","","","0.71073","MoKα","","0.1085","0.0653","","","0.1149","0.1281","","","","","","1.043","","","","has coordinates,has Fobs","175336","2020-10-21","18:00:00",""
"2020411","9.2991","0.0005","9.3832","0.0006","10.7003","0.0006","66.316","0.004","79.647","0.004","85.347","0.004","841.06","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dichloridocobalt(II)]-bis(μ-<i>N</i>,</i>N</i>'-bis(pyridin-3-yl)oxalamide-κ^2^<i>N</i>:<i>N</i>'] dimethylformamide disolvate]","","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","1","0.5","","Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun","Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules","Acta Crystallographica Section C","2016","72","2","170","173","10.1107/S205322961600156X","","","0.71073","MoKα","","0.0664","0.047","","","0.119","0.1323","","","","","","1.037","","","","has coordinates,has Fobs","175336","2020-10-21","18:00:00",""
"2020413","19.49","0.004","9.985","0.002","15.54","0.003","90","","96.25","0.03","90","","3006.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]","","- C17 H12 Cd N O5 -","- C17 H12 Cd N O5 -","- C136 H96 Cd8 N8 O40 -","8","1","QS3053","Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei","The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]","Acta Crystallographica Section C","2016","72","3","174","178","10.1107/S2053229616001522","","","0.71073","MoKα","","0.0202","0.0188","","","0.0485","0.0499","","","","","","1.076","","","","has coordinates,has Fobs","181472","2020-10-21","18:00:00",""
"2020414","9.5183","0.0005","9.595","0.0007","36.207","0.004","90","","90","","90","","3306.7","0.5","100","","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>R</i>)-4,5-Bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane‒4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one‒4a-(hydroperoxymethyl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one (1/0.85/0.15)","","- C41 H44 O5.3 -","- C41 H44 O5.298 -","- C164 H176 O21.192 -","4","1","FN3214","Guzei, Ilia A.; Miles, Kelsey C.","<i>Ab initio</i> X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition","Acta Crystallographica Section C","2016","72","3","179","183","10.1107/S2053229616001972","","","1.54178","CuKα","","0.0354","0.0346","","","0.0871","0.0877","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","181475","2020-10-21","18:00:00",""
"2020415","8.3748","0.0006","18.2499","0.0009","27.5695","0.0014","90","","90","","90","","4213.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[3,5-Bis(trifluoromethyl)phenyl]bis[2-(trifluoromethyl)phenyl]borane","","- C22 H11 B F12 -","- C22 H11 B F12 -","- C176 H88 B8 F96 -","8","2","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0954","0.048","","","0.0916","0.1052","","","","","","0.818","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020416","8.2059","0.0006","8.7103","0.0007","18.0982","0.0014","103.491","0.006","95.43","0.006","99.093","0.006","1230.38","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[3,5-Bis(trifluoromethyl)phenyl]bis[2,6-bis(trifluoromethyl)phenyl]borane","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C48 H18 B2 F36 -","2","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0733","0.0574","","","0.1383","0.1475","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020417","10.8257","0.0011","11.4704","0.0013","12.0198","0.0014","117.067","0.008","101.774","0.009","100.795","0.009","1232.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[2,6-Bis(trifluoromethyl)phenyl]bis[3,5-bis(trifluoromethyl)phenyl]borane","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C48 H18 B2 F36 -","2","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0617","0.0461","","","0.1088","0.1153","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020418","8.35","0.0012","34.37","0.004","8.5512","0.0013","90","","107.062","0.011","90","","2346.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[3,5-Bis(trifluoromethyl)phenyl]dimesitylborane","","- C26 H25 B F6 -","- C26 H25 B F6 -","- C104 H100 B4 F24 -","4","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.1184","0.0659","","","0.1489","0.1724","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020419","12.9807","0.0015","9.2709","0.0009","15.269","0.002","90","","113.455","0.009","90","","1685.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[2,6-bis(trifluoromethyl)phenyl]fluoroborane","","- C16 H6 B F13 -","- C16 H6 B F13 -","- C64 H24 B4 F52 -","4","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.1056","0.0607","","","0.1396","0.1548","","","","","","1.051","","","","has coordinates,has Fobs","181468","2020-10-21","18:00:00",""
"2020420","4.5317","0.0004","12.6474","0.0011","28.675","0.003","90","","90","","90","","1643.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2","(<i>SP</i>-4-4)-(<i>R</i>)-[2-(1-Aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>][(<i>R</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>](isocyanato-κ<i>N</i>)platinum(II)","","- C17 H19 F2 N3 O Pt -","- C17 H19 F2 N3 O Pt -","- C68 H76 F8 N12 O4 Pt4 -","4","1","YF3099","Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli","Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex","Acta Crystallographica Section C","2016","72","3","184","188","10.1107/S2053229616002382","","","0.71073","MoKα","","0.0345","0.0307","","","0.063","0.0645","","","","","","1.069","","","","has coordinates,has Fobs","181474","2020-10-21","18:00:00",""
"2020421","11.37505","0.00013","16.09785","0.00017","11.60677","0.00014","90","","96.0475","0.0011","90","","2113.53","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1'-(1,2-Phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)","","- C16 H16 F6 N4 O6 S2 -","- C16 H16 F6 N4 O6 S2 -","- C64 H64 F24 N16 O24 S8 -","4","1","EG3198","Duhayon, Carine; Canac, Yves; Dubrulle, Laurent; Maaliki, Carine; Chauvin, Remi","The search for formal electrostatic effects on molecular conformation and crystal packing: crystal structure of 2,2''-disubstituted (H <i>versus</i> PPh~2~) 1,1'-(1,2-phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2016","72","3","198","202","10.1107/S2053229616002576","","","0.71073","MoKα","","0.0332","0.0296","","0.0393","0.037","0.0365","","","","","","1.031","","","","has coordinates,has Fobs","181469","2020-10-21","18:00:00",""
"2020422","10.281404","0.000012","10.281404","0.000012","26.15892","0.00006","90","","90","","90","","2765.19","0.008","293","2","293","2","","","","","","","","4","P 41","P 4w","76","Theophylline:Benzamid 1:1","Theophylline‒Benzamide (1/1)","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C112 H120 N40 O24 -","8","2","CU3095","Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska","The challenging case of the theophylline‒benzamide cocrystal","Acta Crystallographica Section C","2016","72","3","217","224","10.1107/S2053229616002643","powder diffraction","","1.0004","Synchrotron","","1.86","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","181467","2020-10-21","18:00:00",""
"2020423","11.1182","0.0015","10.5995","0.0008","19.338","0.003","90","","96.337","0.011","90","","2265","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido[tris(piperidin-1-yl)phosphane oxide-κ<i>O</i>]mercury(II)‒dichloridomercury(II) (2/1)","","- C30 H60 Cl6 Hg3 N6 O2 P2 -","- C30 H60 Cl6 Hg3 N6 O2 P2 -","- C60 H120 Cl12 Hg6 N12 O4 P4 -","2","0.5","LG3182","Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M.","The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment","Acta Crystallographica Section C","2016","72","3","230","233","10.1107/S2053229616002394","","","0.71073","MoKα","","0.0497","0.0363","","","0.0699","0.0744","","","","","","1.053","","","","has coordinates,has Fobs","181470","2020-10-21","18:00:00",""
"2020424","10.6114","0.0009","6.3184","0.0007","19.063","0.002","90","","104.075","0.009","90","","1239.7","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(1-hydroxy-2-methylpropan-2-aminium) carbonate","","- C9 H24 N2 O5 -","- C9 H24 N2 O5 -","- C36 H96 N8 O20 -","4","0.5","FM3039","Ben Nasr, Mahjouba; Aubert, Emmanuel; Espinosa, Enrique","A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate","Acta Crystallographica Section C","2016","72","3","225","229","10.1107/S2053229616002849","","","1.54184","CuKα","","0.0605","0.0532","","","0.1514","0.159","","","","","","1.09","","","","has coordinates,has Fobs","181471","2020-10-21","18:00:00",""
"2020425","9.7987","0.0004","10.3849","0.0005","13.9923","0.0006","79.948","0.002","69.724","0.002","66.911","0.002","1227.39","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","","- C32 H22 Cu N4 O2 -","- C32 H22 Cu N4 O2 -","- C64 H44 Cu2 N8 O4 -","2","1","SK3616","Chatturgoon, Teshica; Akerman, Matthew P.","X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2016","72","3","234","238","10.1107/S2053229616003120","","","0.71073","MoKα","","0.0401","0.0366","","","0.1012","0.1033","","","","","","1.065","","","","has coordinates,has Fobs","181473","2020-10-21","18:00:00",""
"2020426","9.8572","0.0009","9.8572","0.0009","10.7595","0.0009","90","","90","","90","","1045.44","0.16","295","2","295","2","","","","","","","","5","I 41","I 4bw","80","<i>catena</i>-Poly[[diaquasodium(I)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- [diaquairon(III)]-μ-oxalato-\ κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","","- C4 H8 Fe Na O12 -","- C4 H8 Fe Na O12 -","- C16 H32 Fe4 Na4 O48 -","4","0.5","LY3026","Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine","The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]","Acta Crystallographica Section C","2016","72","3","243","250","10.1107/S2053229616002953","","","0.71073","MoKα","","0.0378","0.0285","","","0.0535","0.0563","","","","","","0.975","","","","has coordinates,has Fobs","177098","2020-10-21","18:00:00",""
"2020427","33.62","0.03","14.897","0.011","20.948","0.016","90","","110.544","0.014","90","","9824","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Chlorido-μ-hydroxido-bis(chlorido{(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-κ^2^<i>N</i>,<i>N</i>'}copper(II)) dichloromethane sesquisolvate","","- C41.5 H40 Cl6 Cu2 N8 O9 -","- C41.5 H40 Cl6 Cu2 N8 O9 -","- C332 H320 Cl48 Cu16 N64 O72 -","8","1","FA3382","Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W.; Lalegani, Arash; Montazerozohori, Morteza","Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(<i>trans</i>-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate","Acta Crystallographica Section C","2016","72","3","239","242","10.1107/S2053229616003144","","","0.71073","MoKα","","0.113","0.0669","","","0.185","0.2231","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","177099","2020-10-21","18:00:00",""
"2020430","7.6972","0.0004","24.3703","0.0012","11.358","0.0007","90","","93.545","0.002","90","","2126.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Regorafenib crystalline form I","4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide","","- C21 H15 Cl F4 N4 O3 -","- C21 H15 Cl F4 N4 O3 -","- C84 H60 Cl4 F16 N16 O12 -","4","1","KU3173","Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong","Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate","Acta Crystallographica Section C","2016","72","4","291","296","10.1107/S2053229616003727","","","0.71073","MoKα","","0.0922","0.0477","","","0.1085","0.1481","","","","","","1","","","","has coordinates,has Fobs","182538","2020-10-21","18:00:00",""
"2020431","4.7783","0.0002","21.9538","0.0009","20.5581","0.0008","90","","92.341","0.001","90","","2154.78","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Regorafenib monohydrate","4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide monohydrate","","- C21 H17 Cl F4 N4 O4 -","- C21 H17 Cl F4 N4 O4 -","- C84 H68 Cl4 F16 N16 O16 -","4","1","KU3173","Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong","Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate","Acta Crystallographica Section C","2016","72","4","291","296","10.1107/S2053229616003727","","","0.71073","MoKα","","0.0737","0.0417","","","0.0979","0.1201","","","","","","1.002","","","","has coordinates,has Fobs","182538","2020-10-21","18:00:00",""
"2020432","15.722","0.0015","6.1383","0.0006","19.5185","0.0019","90","","94.954","0.002","90","","1876.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(4-Aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate","","- C18 H20 N2 O6 S2 -","- C18 H20 N2 O6 S2 -","- C72 H80 N8 O24 S8 -","4","1","OV3072","Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús","Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","Acta Crystallographica Section C","2016","72","4","280","284","10.1107/S2053229616003284","","","0.71073","MoKα","","0.0383","0.0322","","","0.078","0.083","","","","","","1.08","","","","has coordinates,has Fobs","182540","2020-10-21","18:00:00",""
"2020433","15.9355","0.0008","6.0062","0.0003","17.1547","0.0009","90","","97.222","0.002","90","","1628.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(4-Aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","","- C13 H18 N2 O6 S2 -","- C13 H18 N2 O6 S2 -","- C52 H72 N8 O24 S8 -","4","1","","Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús","Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","Acta Crystallographica Section C","2016","72","4","280","284","10.1107/S2053229616003284","","","0.71073","MoKα","","0.0608","0.0406","","","0.098","0.1089","","","","","","1.046","","","","has coordinates,has Fobs","182540","2020-10-21","18:00:00",""
"2020434","9.4131","0.0007","9.9334","0.0007","13.0829","0.0006","77.65","0.005","83.824","0.005","70.284","0.006","1124.11","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","Bis{μ-3-[(pyridin-4-ylmethyl)sulfanyl]-5-(quinolin-2-yl)-4<i>H</i>-1,2,4-triazol-4-amine}bis[(methanol-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>') nickel(II)] dinitrate","","- C36 H36 N16 Ni2 O14 S2 -","- C36 H36 N16 Ni2 O14 S2 -","- C36 H36 N16 Ni2 O14 S2 -","1","0.5","FM3038","Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping","Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)","Acta Crystallographica Section C","2016","72","4","285","290","10.1107/S205322961600348X","","","0.71073","MoKα","","0.0419","0.0333","","","0.0693","0.0751","","","","","","1.038","","","","has coordinates,has Fobs","182541","2020-10-21","18:00:00",""
"2020435","10.0414","0.0005","14.4893","0.0007","15.6001","0.0008","88.257","0.004","81.614","0.004","80.184","0.004","2212.53","0.19","100.1","0.5","100.1","0.5","","","","","","","","6","P -1","-P 1","2","","Bis{μ-3-[(pyridin-4-ylmethyl)sulfanyl]-5-(quinolin-2-yl)-4<i>H</i>-1,2,4-triazol-4-amine}bis[(methanol-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>') zinc(II)] dinitrate","","- C36 H36 N16 O14 S2 Zn2 -","- C36 H36 N16 O14 S2 Zn2 -","- C72 H72 N32 O28 S4 Zn4 -","2","1","FM3038","Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping","Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)","Acta Crystallographica Section C","2016","72","4","285","290","10.1107/S205322961600348X","","","1.54184","CuKα","","0.0497","0.0397","","","0.1057","0.1122","","","","","","1.045","","","","has coordinates,has Fobs","182541","2020-10-21","18:00:00",""
"2020436","12.0347","0.0018","14.806","0.002","10.2883","0.0017","90","","90","","90","","1833.2","0.5","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0339","0.0303","","","0.081","0.0841","","","","","","1.061","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020437","12.0156","0.0013","14.8099","0.0016","10.242","0.0011","90","","90","","90","","1822.6","0.3","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0497","0.0321","","","0.0731","0.0815","","","","","","1.021","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020438","11.9993","0.0015","14.7761","0.0014","10.242","0.0013","90","","90","","90","","1815.9","0.4","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0739","0.0425","","","0.0843","0.0964","","","","","","1.009","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020439","12.0187","0.001","14.798","0.0013","10.2632","0.0008","90","","90","","90","","1825.3","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0706","0.0409","","","0.0829","0.0935","","","","","","1.012","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020440","12.0634","0.0009","14.8634","0.0011","10.3901","0.0006","90","","90","","90","","1863","0.2","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.067","0.0401","","","0.0846","0.096","","","","","","1","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020441","10.1883","0.0001","12.9209","0.0001","23.0447","0.0002","102.352","0.0004","95.2584","0.0004","104.153","0.0005","2840.09","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","Dimethylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-\ yl]benzoato}tin(IV)","","- C30 H28 N4 O6 Sn -","- C30 H28 N4 O6 Sn -","- C120 H112 N16 O24 Sn4 -","4","2","SK3620","Linden, Anthony; Basu Baul, Tushar S.","π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes","Acta Crystallographica Section C","2016","72","4","313","325","10.1107/S2053229616004435","","","0.71073","MoKα","","0.0911","0.0411","","","0.0833","0.099","","","","","","1.005","","","","has coordinates,has Fobs","182542","2020-10-21","18:00:00",""
"2020442","12.0462","0.0001","13.6264","0.0002","22.8143","0.0003","102.267","0.0006","100.318","0.0006","91.6029","0.0006","3591.71","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","Di-<i>n</i>-butylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]benzoato}tin(IV) benzene hemisolvate","","- C78 H86 N8 O12 Sn2 -","- C78 H86 N8 O12 Sn2 -","- C156 H172 N16 O24 Sn4 -","2","1","SK3620","Linden, Anthony; Basu Baul, Tushar S.","π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes","Acta Crystallographica Section C","2016","72","4","313","325","10.1107/S2053229616004435","","","0.71073","MoKα","","0.0977","0.0458","","","0.0978","0.1166","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","182542","2020-10-21","18:00:00",""
"2020443","32.1","0.006","10.56","0.002","15.8","0.003","90","","110.7","0.03","90","","5010.1","1.9","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[μ-(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]bis{dimethanol[(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]calcium(II)} methanol hexasolvate","","- C90 H128 Ca2 N12 O26 S4 -","- C90 H128 Ca2 N12 O26 S4 -","- C180 H256 Ca4 N24 O52 S8 -","2","0.5","LF3028","Cong, Hengjiang","Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study","Acta Crystallographica Section C","2016","72","4","326","336","10.1107/S2053229616004216","","","0.79987","synchrotron","","0.0364","0.0358","","","0.0941","0.0948","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","182543","2020-10-21","18:00:00",""
"2020444","19.4354","0.0007","16.7556","0.0006","15.3266","0.0006","90","","119.483","0.0011","90","","4344.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)","","- C28 H38 Cl4 N16 O2 S4 Zn -","- C28 H38 Cl4 N16 O2 S4 Zn -","- C112 H152 Cl16 N64 O8 S16 Zn4 -","4","0.5","CU3096","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular hydrogen-bonding patterns in the organic‒inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)","Acta Crystallographica Section C","2016","72","4","337","340","10.1107/S2053229616004186","","","0.71073","MoKα","","0.0869","0.0457","","","0.0821","0.0946","","","","","","1.021","","","","has coordinates,has Fobs","182545","2020-10-21","18:00:00",""
"2020445","7.6227","0.0002","13.9464","0.0004","16.0161","0.0004","90","","101.644","0.0007","90","","1667.62","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3<i>E</i>)-8-Chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide","","- C12 H8 Cl I4 N O -","- C12 H8 Cl I4 N O -","- C48 H32 Cl4 I16 N4 O4 -","4","1","LG3186","Bartashevich, E. V.; Batalov, V. I.; Yushina, I. D.; Stash, A. I.; Chen, Y. S.","Nontypical iodine‒halogen bonds in the crystal structure of (3<i>E</i>)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide","Acta Crystallographica Section C","2016","72","4","341","345","10.1107/S2053229616003934","","","0.41328","synchrotron","","0.0213","0.0163","","","0.0336","0.035","","","","","","1.04","","","","has coordinates,has Fobs","182546","2020-10-21","18:00:00",""
"2020446","17.0839","0.0016","4.235","0.0003","16.2258","0.0018","90","","94.047","0.008","90","","1171.01","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,11-Dimethyl-3,5,6,11-tetrahydro-4<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-one","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.1401","0.0611","","","0.1134","0.1409","","","","","","1.048","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020447","11.4233","0.0004","7.3707","0.0003","20.4624","0.0007","90","","93.561","0.002","90","","1719.56","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Butoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","1.54178","CuKα","","0.0926","0.0495","","","0.1078","0.125","","","","","","1.049","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020448","18.886","0.003","7.9898","0.0015","19.335","0.003","90","","90","","90","","2917.6","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-6,11-dimethyl-6,11-dihydro-5<i>H</i>-\ benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0835","0.0543","","","0.1147","0.1246","","","","","","1.018","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020449","12.2994","0.0008","9.1501","0.0005","16.171","0.0009","90","","95.289","0.002","90","","1812.15","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-8-methoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>- benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C88 H96 N16 O4 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0764","0.0466","","","0.1029","0.1151","","","","","","1.042","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020450","7.7594","0.0004","8.5383","0.0006","13.4525","0.0008","90","","100.483","0.003","90","","876.38","0.09","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-6-methyl-1,2,6,7-tetrahydropyrimido\ [5',4':6,7]azepino[3,2,1-<i>hi</i>]indol-8-amine","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","1.54178","CuKα","","0.0312","0.0304","","","0.0776","0.0784","","","","","","1.094","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020451","15.083","0.003","27.563","0.004","8.8681","0.0013","90","","90","","90","","3686.8","1.1","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","<i>N</i>-Benzyl-7-methyl-2,3,7,8-tetrahydro-1<i>H</i>-\ pyrimido[5',4':6,7]azepino[3,2,1-<i>ij</i>]quinolin-9-amine","","- C23 H24 N4 -","- C23 H24 N4 -","- C184 H192 N32 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0651","0.0451","","","0.0951","0.1028","","","","","","1.048","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020452","11.898","0.002","28.663","0.006","8.343","0.002","90","","97.77","0.03","90","","2819.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis(μ~4~-biphenyl-3,4',5-tricarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^4'^)tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)dicopper(I)]","","- C66 H48 Cu4 N12 O14 -","- C66 H48 Cu4 N12 O14 -","- C132 H96 Cu8 N24 O28 -","2","0.5","WQ3109","Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng","A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands","Acta Crystallographica Section C","2016","72","4","358","362","10.1107/S2053229616004824","","","0.72","synchrotron","","0.0443","0.0383","","","0.0988","0.1018","","","","","","1.071","","","","has coordinates,has Fobs","182539","2020-10-21","18:00:00",""
"2020464","16.864","0.004","11.067","0.002","22.764","0.004","90","","90","","90","","4248.5","1.5","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly[[(μ~2~-3,3'-dimethyl-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~4~-4,4'-oxydibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')dizinc] tetrahydrate]","","- C40 H36 N2 O14 Zn2 -","- C40 H27.128 N2 O10 Zn2 -","- C160 H108.512 N8 O40 Zn8 -","4","0.5","FP3027","Liang, Feng-Lan; Ma, De-Yun; Qin, Liang","A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands","Acta Crystallographica Section C","2016","72","5","373","378","10.1107/S205322961600437X","","","0.71073","MoKα","","0.051","0.0449","","","0.1239","0.1281","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","183639","2020-10-21","18:00:00",""
"2020465","4.874","0.003","7.663","0.002","8.325","0.003","66.97","0.02","88.09","0.02","87.07","0.02","285.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(Hydroxymethyl)uracil","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C10 H12 N4 O6 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.0774","0.0554","","","0.1316","0.1452","","","","","","1.053","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020466","8.671","0.003","12.394","0.002","9.381","0.002","90","","90.17","0.02","90","","1008.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxyuracil <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1153","0.0642","","","0.1419","0.165","","","","","","0.996","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020467","6.9341","0.0009","6.9015","0.0005","20.919","0.003","90","","96.604","0.01","90","","994.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Carboxyuracil dimethyl sulfoxide monosolvate","","- C7 H10 N2 O5 S -","- C7 H10 N2 O5 S -","- C28 H40 N8 O20 S4 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.7107","MoKα","","0.0666","0.0457","","","0.0997","0.1052","","","","","","1.055","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020468","11.7707","0.0019","6.1053","0.001","15.271","0.003","90","","90.858","0.013","90","","1097.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Carboxyuracil <i>N</i>,<i>N</i>-dimethylacetamide monosolvate","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1033","0.0596","","","0.1313","0.1501","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","183641","2020-10-21","18:00:00",""
"2020469","10.1742","0.001","11.4616","0.0012","9.9715","0.0011","90","","104.318","0.008","90","","1126.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid dimethylformamide monosolvate","","- C8 H11 N3 O4 S -","- C8 H11 N3 O4 S -","- C32 H44 N12 O16 S4 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.049","0.0363","","","0.0885","0.0932","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","183641","2020-10-21","18:00:00",""
"2020470","7.0475","0.0009","8.9534","0.0012","9.2802","0.0013","115.79","0.01","95.753","0.011","95.791","0.01","517.72","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid dimethyl sulfoxide monosolvate","","- C7 H10 N2 O4 S2 -","- C7 H10 N2 O4 S2 -","- C14 H20 N4 O8 S4 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.034","0.027","","","0.0675","0.07","","","","","","1.054","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020471","5.2819","0.0007","10.3542","0.0012","13.0071","0.0015","89.377","0.01","85.143","0.01","77.7","0.01","692.51","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 1,4-dioxane sesquisolvate","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.0431","0.0362","","","0.0975","0.1004","","","","","","1.037","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020472","11.409","0.003","15.552","0.003","7.369","0.002","90","","97.599","0.019","90","","1296","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid","","- C5 H4 N2 O3 S -","- C5 H4 N2 O3 S -","- C40 H32 N16 O24 S8 -","8","2","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1632","0.0772","","","0.1357","0.1641","","","","","","0.96","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020473","24.8049","0.001","10.7126","0.0005","12.1932","0.0004","90","","95.929","0.001","90","","3222.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-6,8-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","2","WQ3111","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.056","0.0467","","","0.1156","0.1216","","","","","","1.042","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020474","7.5541","0.0003","14.7914","0.0005","15.4049","0.0005","90","","90","","90","","1721.28","0.11","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>SR</i>,4<i>RS</i>)-6,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0769","0.0431","","","0.0954","0.1094","","","","","","1.029","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020475","7.2201","0.0002","7.8128","0.0003","14.7409","0.0005","90","","93.69","0.002","90","","829.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>SR</i>,4<i>RS</i>)-8,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0355","0.0333","","","0.09","0.0919","","","","","","1.038","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020476","7.5932","0.0003","7.5859","0.0004","51.01","0.003","90","","90","","90","","2938.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1-\ benzazepin-4-ol","","- C18 H18 F N O -","- C18 H18 F N O -","- C144 H144 F8 N8 O8 -","8","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0502","0.045","","","0.1049","0.1077","","","","","","1.087","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020477","25.119","0.002","25.119","0.002","11.2812","0.0012","90","","90","","120","","6164.4","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C270 H360 F18 N18 O18 -","18","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0897","0.0663","","","0.1997","0.2288","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020478","49.395","0.002","49.395","0.002","11.1802","0.0005","90","","90","","120","","23623.6","1.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C1080 H1440 F72 N72 O72 -","72","4","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0721","0.0459","","","0.109","0.1217","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020479","9.9863","0.0004","10.3722","0.0005","15.7502","0.0007","91.755","0.004","99.029","0.005","95.042","0.003","1603.32","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua{4-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]pyridine}cadmium(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate]","","- C36 H30 Cd N6 O7 -","- C36 H30 Cd N6 O7 -","- C72 H60 Cd2 N12 O14 -","2","1","FN3215","Zhang, Zhi-Liang; Liu, Jia-Cheng","A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1<i>H</i>-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","5","389","392","10.1107/S2053229616004587","","","0.71073","MoKα","","0.033","0.0289","","","0.0689","0.0711","","","","","","1.048","","","","has coordinates,has Fobs","183638","2020-10-21","18:00:00",""
"2020480","13.0087","0.0012","7.2092","0.0006","17.0024","0.0016","90","","101.297","0.007","90","","1563.6","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-dinitro-N-(2-(3,4-dimethoxy)phenylethyl)aniline","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-2,4-dinitroaniline","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","QS3054","Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.","Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2016","72","5","405","410","10.1107/S2053229616005763","","","0.71075","MoKα","","","0.0394","","","","0.1018","","","","","","1.035","","","","has coordinates,has Fobs","183634","2020-10-21","18:00:00",""
"2020481","21.26","0.003","5.7264","0.0006","14.2762","0.0016","90","","103.456","0.007","90","","1690.3","0.4","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","(4-methylsulfonyl-2-nitrophenyl)-N-L-phenylalanine","<i>N</i>-(4-Methylsulfonyl-2-nitrophenyl)-<i>L</i>-phenylalanine","","- C16 H16 N2 O6 S -","- C16 H16 N2 O6 S -","- C64 H64 N8 O24 S4 -","4","1","QS3054","Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.","Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2016","72","5","405","410","10.1107/S2053229616005763","","","0.71075","MoKα","","0.0476","0.0385","","","0.088","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","183634","2020-10-21","18:00:00",""
"2020482","6.9028","0.0006","11.0334","0.001","24.451","0.002","90","","90","","90","","1862.2","0.3","100","","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-Methyl-10β,17β-dihydroxyestr-4-en-3-one dihydrate","","- C19 H32 O5 -","- C19 H32 O5 -","- C76 H128 O20 -","4","1","FP3028","Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M. Iqbal; Ahmed, Maqsood","Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone","Acta Crystallographica Section C","2016","72","5","398","404","10.1107/S2053229616005441","","","0.71073","MoKα","","0.0478","0.0478","","","0.1161","0.1161","","","","","","0.949","","","","has coordinates,has Fobs","183635","2020-10-21","18:00:00",""
"2020483","11.7012","0.0007","16.2076","0.001","35.285","0.002","90","","90","","90","","6691.7","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C232 H328 Cl8 N16 Ni8 O64 P16 -","8","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0863","0.0569","","","0.1062","0.1156","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","183643","2020-10-21","18:00:00",""
"2020484","10.9248","0.0009","21.5339","0.0018","15.071","0.0012","90","","101.851","0.001","90","","3469.9","0.5","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C116 H164 Cl4 N8 Ni4 O32 P8 -","4","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0505","0.0417","","","0.086","0.0899","","","","","","0.98","","","","has coordinates,has Fobs","183643","2020-10-21","18:00:00",""
"2020485","8.4228","0.0001","7.9082","0.0001","16.2102","0.0003","90","","97.152","0.002","90","","1071.35","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Methoxyphenyl)-4-thiazoline-2-thione","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","","Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan","Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation","Acta Crystallographica Section C","2016","72","5","421","425","10.1107/S2053229616006069","","","1.54184","CuKα","","0.03","0.0277","","","0.0738","0.0751","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","183636","2020-10-21","18:00:00",""
"2020486","4.7187","0.0003","12.0438","0.0007","17.8972","0.0011","90","","93.752","0.006","90","","1014.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-4-thiazoline-2-thione","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","","Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan","Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation","Acta Crystallographica Section C","2016","72","5","421","425","10.1107/S2053229616006069","","","0.71073","MoKα","","0.0428","0.0337","","","0.0796","0.0843","","","","","","1.062","","","","has coordinates,has Fobs","183636","2020-10-21","18:00:00",""
"2020487","18.474","0.0012","25.4633","0.0018","19.3663","0.0013","90","","100.036","0.002","90","","8970.7","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(PPh4)[V2(PS3'')2(mu-OMe)3]","Tetraphenylphosphonium tri-μ-methanolato-κ^6^<i>O</i>:<i>O</i>-bis({tris[2-sulfanidyl-3-(trimethylsilyl)phenyl]phosphane-κ^4^<i>P</i>,<i>S</i>,<i>S</i>',<i>S</i>''}vanadium(IV)) methanol disolvate","","- C83 H109 O5 P3 S6 Si6 V2 -","- C83 H101 O5 P3 S6 Si6 V2 -","- C332 H404 O20 P12 S24 Si24 V8 -","4","0.5","YO3020","Wu, Hong-Ming; Chang, Ya-Ho; Su, Chia-Lin; Lee, Gene-Hsiang; Hsu, Hua-Fen","A non-oxo methanolate-bridged divanadium(IV) complex with tris(2-sulfanidylphenyl)phosphane ligands: synthesis, structural characterization and magnetic investigation","Acta Crystallographica Section C","2016","72","5","416","420","10.1107/S2053229616005222","","","0.71073","MoKα","","0.1369","0.0877","","","0.1712","0.1912","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","183637","2020-10-21","18:00:00",""
"2020488","8.1048","0.0004","10.3928","0.0006","11.574","0.0006","100.957","0.005","96.178","0.004","99.694","0.005","933.59","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]","","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","1","0.5","LF3032","Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer <i>catena</i>-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]","Acta Crystallographica Section C","2016","72","5","426","431","10.1107/S2053229616005180","","","0.71073","MoKα","","0.051","0.0368","","","0.0758","0.0822","","","","","","1.0343","","","","has coordinates,has Fobs","183644","2020-10-21","18:00:00",""
"2020489","6.667","0.003","12.16","0.004","12.911","0.004","72.3","0.03","81.03","0.03","85.57","0.03","984.5","0.7","99.98","0.13","99.98","0.13","","","","","","","","6","P -1","-P 1","2","","2-Aminopyridinium hexaaquaaluminium(III) bis(sulfate) tetrahydrate","","- C5 H27 Al N2 O18 S2 -","- C5 H27 Al N2 O18 S2 -","- C10 H54 Al2 N4 O36 S4 -","2","1","WQ3112","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0522","0.036","","","0.0836","0.0928","","","","","","1.022","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020490","6.64","0.003","11.71","0.004","14.294","0.004","67.97","0.03","81.57","0.03","85.39","0.03","1018.8","0.7","100","0.15","100","0.15","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) tris[hexaaquacobalt(II)] tetrakis(sulfate) dihydrate","","- C10 H54 Co3 N4 O36 S4 -","- C10 H54 Co3 N4 O36 S4 -","- C10 H54 Co3 N4 O36 S4 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0428","0.0314","","","0.0632","0.0686","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","183642","2020-10-21","18:00:00",""
"2020491","6.682","0.003","11.807","0.004","14.309","0.004","68.23","0.03","82.13","0.03","84.76","0.03","1037.5","0.7","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) tris[hexaaquamagnesium(II)] tetrakis(sulfate) dihydrate","","- C10 H54 Mg3 N4 O36 S4 -","- C10 H54 Mg3 N4 O36 S4 -","- C10 H54 Mg3 N4 O36 S4 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0574","0.04","","","0.0811","0.0894","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","183642","2020-10-21","18:00:00",""
"2020492","6.97","0.003","7.913","0.003","11.391","0.004","72.31","0.03","89.57","0.03","64.2","0.03","533.2","0.4","99.99","0.17","99.99","0.17","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) hexaaquanickel(II) bis(sulfate)","","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.033","0.026","","","0.0571","0.0596","","","","","","1.068","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020493","6.977","0.003","7.929","0.003","11.441","0.004","72.25","0.03","89.53","0.03","64.45","0.03","538.2","0.4","100","0.15","100","0.15","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) hexaaquazinc(II) bis(sulfate)","","- C10 H26 N4 O14 S2 Zn -","- C10 H26 N4 O14 S2 Zn -","- C10 H26 N4 O14 S2 Zn -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0515","0.037","","","0.0717","0.0783","","","","","","1.079","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020494","9.71","0.009","10.891","0.012","15.546","0.016","77.129","0.015","74.474","0.015","65.034","0.015","1425","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4,4'-oxydibenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>'':<i>O</i>,<i>O</i>'-bis[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]","","- C70 H46 Co2 N6 O10 -","- C70 H46 Co2 N6 O10 -","- C70 H46 Co2 N6 O10 -","1","0.5","EG3201","Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun","Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)]","Acta Crystallographica Section C","2016","72","5","451","455","10.1107/S2053229616006677","","","0.71073","MoKα","","0.0531","0.0422","","","0.1148","0.1208","","","","","","1.091","","","","has coordinates,has Fobs","183640","2020-10-21","18:00:00",""
"2020495","10.3553","0.0008","10.5983","0.001","12.4594","0.0008","114.574","0.006","104.4","0.006","99.442","0.005","1147.61","0.18","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","1","0.5","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.0217","0.0217","","","0.0566","0.0566","","","","","","1.074","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020496","20.348","0.003","19.511","0.002","22.6059","0.0018","90","","90","","90","","8974.8","1.8","298","1","298","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C384 H176 F144 P16 Pt8 S16 -","8","1","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.1028","0.0552","","","0.1278","0.1545","","","","","","1.014","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020497","9.2372","0.0015","9.7244","0.0016","14.511","0.002","79.099","0.002","83.298","0.002","75.012","0.002","1233.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~3~-2,2-dimethylbutanedioato)-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^;κ^5^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^-dizinc(II)] dihydrate]","","- C22 H30 N2 O11 Zn2 -","- C22 H30 N2 O11 Zn2 -","- C44 H60 N4 O22 Zn4 -","2","1","YF3098","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties","Acta Crystallographica Section C","2016","72","4","308","312","10.1107/S2053229616003211","","","0.71073","MoKα","","0.0406","0.0322","","","0.0795","0.0835","","","","","","1.083","","","","has coordinates,has Fobs","182535","2020-10-21","18:00:00",""
"2020498","36.5539","0.0017","6.0781","0.0002","16.5167","0.0007","90","","102.228","0.004","90","","3586.4","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","1","LG3183","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions","Acta Crystallographica Section C","2016","72","4","274","279","10.1107/S2053229616003193","","","0.71073","MoKα","","0.0702","0.0337","","","0.0776","0.0889","","","","","","0.937","","","","has coordinates,has Fobs","182536","2020-10-21","18:00:00",""
"2020499","13.4305","0.0007","6.782","0.0004","19.4498","0.0011","90","","92.935","0.004","90","","1769.27","0.17","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetramethylammonium 2-hydroxy-5-[(<i>E</i>)-(2-nitrophenyl)diazenyl]benzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","LG3183","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions","Acta Crystallographica Section C","2016","72","4","274","279","10.1107/S2053229616003193","","","0.71073","MoKα","","0.1018","0.046","","","0.0772","0.0903","","","","","","1.02","","","","has coordinates,has Fobs","182536","2020-10-21","18:00:00",""
"2020501","5.2513","0.0002","13.9534","0.0006","16.0336","0.0007","101.766","0.0005","93.23","0.0005","99.0746","0.0005","1130.99","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-Methylenebis(3-butylimidazolium) diiodide acetonitrile monosolvate","","- C17 H29 I2 N5 -","- C17 H29 I2 N5 -","- C34 H58 I4 N10 -","2","1","EG3202","Cebollada, Andrea; Vellé, Alba; Sanz Miguel, Pablo J.","Hirshfeld and DFT analysis of the N-heterocyclic carbene proligand methylenebis(N-butylimidazolium) as the acetonitrile-solvated diiodide salt","Acta Crystallographica Section C Structural Chemistry","2016","72","6","","","10.1107/S2053229616006781","","","0.71073","MoKα","","0.0215","0.0188","","","0.0455","0.0468","","","","","","1.069","","","","has coordinates,has Fobs","182688","2020-10-21","18:00:00",""
"2020502","7.715","0.002","10.598","0.003","35.481","0.009","90","","90","","90","","2901.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate dihydrate","Adenosine 3':5'-cyclic phosphate dihydrate","","- C10 H16 N5 O8 P -","- C10 H16 N5 O8 P -","- C80 H128 N40 O64 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0721","0.0464","","","0.083","0.0901","","","","","","1.008","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020503","7.786","0.002","10.638","0.003","29.887","0.008","90","","90","","90","","2475.5","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","","- C10 H12.6 N5 O6.3 P -","- C10 H12.63 N5 O6.315 P -","- C80 H101.04 N40 O50.52 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","1.5418","CuKα","","0.0578","0.0515","","","0.1297","0.1343","","","","","","1.047","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020504","6.691","0.002","13.555","0.003","19.863","0.004","90","","90","","90","","1801.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate pentahydrate","Guanosine 3':5'-cyclic phosphate pentahydrate","","- C10 H22 N5 O12 P -","- C10 H12 N5 O12 P -","- C40 H48 N20 O48 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.077","0.0622","","","0.1371","0.146","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020505","7.206","0.002","12.669","0.003","18.754","0.003","90","","90","","90","","1712.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H19 N5 Na O11 P -","- C10 H19 N5 Na O11 P -","- C40 H76 N20 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0309","0.0284","","","0.0735","0.075","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020506","6.652","0.002","14.726","0.003","17.208","0.004","90","","90","","90","","1685.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H18 N4 Na O11 P -","- C10 H18 N4 Na O11 P -","- C40 H72 N16 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0598","0.0485","","","0.0973","0.1028","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020507","6.613","0.002","7.018","0.003","7.078","0.003","97.374","0.01","104.521","0.009","92.038","0.01","314.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5,6-dimethylpyrimidin-4(1<i>H</i>)-one","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C12 H18 N6 O2 -","2","1","SK3624","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007403","","","0.71073","MoKα","","0.1033","0.0738","","","0.2119","0.2277","","","","","","1.064","","","","has coordinates,has Fobs","182820","2020-10-21","18:00:00",""
"2020508","7.188","0.0007","28.047","0.003","13.3265","0.0015","90","","101.414","0.003","90","","2633.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5,6-dimethylpyrimidin-4(1<i>H</i>)-one‒2-amino-5,6-dimethylpyrimidin-4(3<i>H</i>)-one (1/1)","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C96 H144 N48 O16 -","16","4","SK3624","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007403","","","0.71073","MoKα","","0.1087","0.0615","","","0.1151","0.1303","","","","","","1.057","","","","has coordinates,has Fobs","182820","2020-10-21","18:00:00",""
"2020514","8.5502","0.0017","9.2713","0.0019","15.363","0.003","88.48","0.03","83.73","0.03","76.65","0.03","1177.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^]-cadmium(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^] dimethylformamide disolvate]","","- C22 H21 Cd N5 O5 -","- C22 H21 Cd N5 O5 -","- C44 H42 Cd2 N10 O10 -","2","1","","Huang, Qiu-Ying; Lin, Xiao-Yi; Meng, Xiang-Ru","A new one-dimensional Cd^II^ coordination polymer with a two-dimensional layered structure incorporating 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007658","","","0.71073","MoKα","","0.0724","0.0581","","","0.1293","0.14","","","","","","1.074","","","","has coordinates,has Fobs","182945","2020-10-21","18:00:00",""
"2020515","23.908","0.005","7.4853","0.0015","15.363","0.003","90","","91.89","0.03","90","","2747.8","1","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>R</i>,24<i>S</i>)-20-24-Epoxydammarane-3β,12β,25-triol","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","0.71073","MoKα","","0.0477","0.0445","","","0.1057","0.1101","","","","","","1.104","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020516","6.8503","0.0006","29.1839","0.0018","14.8014","0.0009","90","","102.7","0.01","90","","2886.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>R</i>,24<i>R</i>)-20,24-Epoxydammarane-3β,12β,25-triol monohydrate","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","2","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","1.54178","CuKα","","0.1437","0.0925","","","0.2275","0.2772","","","","","","0.974","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020517","8.909","0.002","13.332","0.003","14.92","0.003","93.598","0.004","99.037","0.005","104.678","0.004","1683.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis[1-(4-chlorophenyl)-4,4-dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pent-1-en-3-ol]cobalt(II)","","- C60 H72 Cl6 Co N12 O4 -","- C60 H72 Cl6 Co N12 O4 -","- C60 H72 Cl6 Co N12 O4 -","1","0.5","OV3075","Zhang, Yao; Li, Jie; Ren, Guoyu; Qin, Baofu; Ma, Haixia","Synthesis, crystal structure and antifungal activity of a divalent cobalt(II) complex with uniconazole","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007750","","","0.71073","MoKα","","0.1248","0.0579","","","0.1154","0.1455","","","","","","0.953","","","","has coordinates,has Fobs","182995","2020-10-21","18:00:00",""
"2020518","11.2504","0.0011","11.7298","0.0011","12.6588","0.0013","71.518","0.004","71.087","0.003","65.76","0.003","1407.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(dimethylformamide-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) dimethylformamide monosolvate","","- C26 H32 Cl2 N6 O2 Zn -","- C26 H32 Cl2 N6 O2 Zn -","- C52 H64 Cl4 N12 O4 Zn2 -","2","1","UK3125","DeStefano, Matthew R.; Geiger, David K.","Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007798","","","0.71073","MoKa","","0.0522","0.0398","","","0.0992","0.1066","","","","","","1.045","","","","has coordinates,has Fobs","182996","2020-10-21","18:00:00",""
"2020519","16.0866","0.0017","8.715","0.0008","18.745","0.002","90","","94.193","0.004","90","","2620.9","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>'){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) ethanol monosolvate","","- C26 H30 N4 O5 Zn -","- C26 H30 N4 O5 Zn -","- C104 H120 N16 O20 Zn4 -","4","1","UK3125","DeStefano, Matthew R.; Geiger, David K.","Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007798","","","0.71073","MoKa","","0.0542","0.036","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182996","2020-10-21","18:00:00",""
"2020521","13.9227","0.0001","12.35","0.0001","19.7966","0.0001","90","","105.987","0.001","90","","3272.28","0.04","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl(cyanotrihydridoborato-κ<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)rhodium(I)","","- C38 H33 B N O P2 Rh -","- C38 H33 B N O P2 Rh -","- C152 H132 B4 N4 O4 P8 Rh4 -","4","1","LY3032","Galding, M. R.; Virovets, A. V.; Kazakov, I. V.; Scheer, M.; Smirnov, S. N.; Timoshkin, A. Y.","Diminished electron density in the Vaska-type rhodium(I) complex <i>trans</i>-[Rh(NCBH~3~)(CO)(PPh~3~)~2~]","Acta Crystallographica Section C","2016","72","7","514","517","10.1107/S2053229616008536","","","1.54178","CuKα","","0.0222","0.0207","","","0.0553","0.0559","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","185010","2020-10-21","18:00:00",""
"2020522","6.2155","0.0002","8.7681","0.0003","8.9686","0.0003","90","","106.14","0.003","90","","469.51","0.03","121","1","121","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","LG3188","Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal","A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","Acta Crystallographica Section C","2016","72","7","518","524","10.1107/S2053229616008767","","","1.54184","CuKα","","0.0256","0.0252","","","0.0675","0.0678","","","","","","2.16","","","","has coordinates,has Fobs","185017","2020-10-21","18:00:00",""
"2020525","18.5958","0.0011","16.6608","0.001","14.2394","0.0009","90","","93.692","0.002","90","","4402.5","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[copper(II)-di-μ-chlorido-copper(II)-{μ-1-ethyl-<i>N</i>'-[(1<i>H</i>-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}-[dimethanolcopper(II)]-{μ-1-ethyl-<i>N</i>'-[(1<i>H</i>-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}] dichloride methanol tetrasolvate]","","- C18 H23 Cl2 Cu1.5 N6 O4 -","- C36 H46 Cl4 Cu3 N12 O8 -","- C144 H184 Cl16 Cu12 N48 O32 -","4","0.5","FA3386","Bergamini, F. R. G.; Ribeiro, M. A.; Miranda, P. C. M. L.; Formiga, A. L. B.; Corbi, P. P.","A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure","Acta Crystallographica Section C","2016","72","7","544","548","10.1107/S2053229616008913","","","0.71073","MoKα","","0.0343","0.0274","","","0.0703","0.0739","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","185009","2020-10-21","18:00:00",""
"2020526","21.612","0.004","10.421","0.002","19.246","0.004","90","","116.85","0.03","90","","3867.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^;κ^2^<i>O</i>^1^:<i>O</i>^4^-bis{μ~2~-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl-κ<i>N</i>^4^]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}dizinc(II)] triihydrate]","","- C18 H16 N5 O5.5 Zn -","- C18 H16 N5 O5.5 Zn -","- C144 H128 N40 O44 Zn8 -","8","1","","Jian, Shou-Jun; Han, Qian-Qian; Yang, Huai-Xia; Meng, Xiang-Ru","A new three-dimensional zinc(II) coordination polymer involving 2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","7","530","535","10.1107/S2053229616008779","","","0.71073","MoKα","","0.0465","0.0412","","","0.099","0.1026","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","185012","2020-10-21","18:00:00",""
"2020527","8.3754","0.0007","12.6354","0.001","13.6686","0.0011","112.213","0.003","101.395","0.003","95.781","0.003","1287.99","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ~2~-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato-κ^4^<i>O</i>:<i>O</i>,<i>N</i>',<i>O</i>']dilead(II)","","- C28 H20 N4 O4 Pb2 -","- C28 H20 N4 O4 Pb2 -","- C56 H40 N8 O8 Pb4 -","2","1","LG3189","Schwade, Vânia Denise; Faoro, Eliandro; Schulz Lang, Ernesto","Intermolecular Pb···N interactions in lead(II) dimers producing a supramolecular two-dimensional metal‒organic compound: bis[μ~2~-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato-κ^4^<i>O</i>:<i>O</i>,<i>N</i>',<i>O</i>']dilead(II)","Acta Crystallographica Section C","2016","72","7","525","529","10.1107/S2053229616008755","","","0.71073","MoKα","","0.0251","0.0177","","","0.0354","0.037","","","","","","1.068","","","","has coordinates,has Fobs","185014","2020-10-21","18:00:00",""
"2020528","9.489","0.0015","9.8774","0.0015","15.079","0.002","71.429","0.004","75.65","0.004","89.369","0.004","1294.4","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","<i>L</i>-2-Aminobutyric acid‒<i>D</i>-methionine (1/1) <i>L</i>-Abu:<i>D</i>-Met","(<i>S</i>)-2-Aminobutanoic acid‒(<i>R</i>)-2-amino-4-(methylsulfanyl)butanoic acid (1/1)","","- C9 H20 N2 O4 S4 -","- C9 H20 N2 O4 S -","- C36 H80 N8 O16 S4 -","4","4","SK3626","Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim","A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)","Acta Crystallographica Section C","2016","72","7","536","543","10.1107/S2053229616008858","","","0.71073","MoKα","","0.0954","0.0716","","","0.1661","0.1861","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020529","29.1721","0.0018","4.7784","0.0003","9.8551","0.0006","90","","103.145","0.002","90","","1337.77","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","<i>L</i>-2-Aminobutyric acid:<i>D</i>-methionine <i>L</i>-Abu:<i>D</i>-Met","(<i>S</i>)-2-aminobutanoic acid‒(<i>R</i>)-2-amino-4-(methylsulfanyl)butanoic acid (1/1)","","- C9 H20 N2 O4 S -","- C8.992 H19.984 N2 O4 S0.998 -","- C35.968 H79.936 N8 O16 S3.992 -","4","1","SK3626","Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim","A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)","Acta Crystallographica Section C","2016","72","7","536","543","10.1107/S2053229616008858","","","0.71073","MoKα","","0.0796","0.0431","","","0.1055","0.1229","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020530","5.4764","0.0003","15.9117","0.0008","18.3228","0.001","90","","90","","90","","1596.63","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0981","0.0507","","","0.0828","0.0938","","","","","","0.993","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020531","5.4469","0.0003","15.8455","0.001","18.2412","0.0009","90","","90","","90","","1574.38","0.15","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0545","0.0404","","","0.0489","0.1235","","","","","","0.8353","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020532","7.2407","0.0002","7.9326","0.0002","15.055","0.0005","92.932","0.002","102.406","0.002","102.727","0.002","819.37","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(2-amino-4,6-dimethoxypyrimidine-N)-aqua-chlorido -(thiophene-2-carboxylato-O)cobalt(II) hidrate","(2-Amino-4,6-dimethoxypyrimidine-κ<i>N</i>)aquachlorido(thiophene-2-carboxylato-κ<i>O</i>)cobalt(II) monohydrate","","- C11 H16 Cl Co N3 O6 S -","- C11 H16 Cl Co N3 O6 S -","- C22 H32 Cl2 Co2 N6 O12 S2 -","2","1","KU3177","Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands","Acta Crystallographica Section C","2016","72","5","442","450","10.1107/S2053229616006148","","","0.71073","MoKα","","0.0382","0.0297","","","0.074","0.0785","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","183615","2020-10-21","18:00:00",""
"2020533","18.5881","0.0004","10.1091","0.0003","17.5284","0.0004","90","","111.847","0.002","90","","3057.19","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(μ^2^-2-amino-4,6-dimethoxypyrimidine-N,N') -tetra(μ^2^-thiophene-2-carboxylato-O,O')dicopper(II)","<i>catena</i>-Poly[copper(II)-tetrakis(μ-thiophene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')-copper(II)-(μ-2-amino-4,6-dimethoxypyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)]","","- C26 H21 Cu2 N3 O10 S4 -","- C26 H21 Cu2 N3 O10 S4 -","- C104 H84 Cu8 N12 O40 S16 -","4","0.5","KU3177","Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands","Acta Crystallographica Section C","2016","72","5","442","450","10.1107/S2053229616006148","","","0.71073","MoKα","","0.0473","0.0327","","","0.0776","0.0839","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","183615","2020-10-21","18:00:00",""
"2020534","3.9356","0.0004","7.2005","0.0006","25.41","0.002","90","","90.578","0.009","90","","720.04","0.11","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-nitrobenzoic acid","2-Nitrobenzoic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","SK3630","Ibragimov, Aziz; Ashurov, Jamshid; Ibragimov, Bakhtiyar; Wang, Ai; Mouhib, Halima; Englert, Ulli","Conformational dimorphism in <i>o</i>-nitrobenzoic acid: alternative ways to avoid the O···O clash","Acta Crystallographica Section C","2016","72","7","566","571","10.1107/S2053229616009591","","","1.54184","CuKα","","0.0726","0.0495","","","0.1231","0.1438","","","","","","1.063","","","","has coordinates,has Fobs","185008","2020-10-21","18:00:00",""
"2020535","4.4603","0.0003","4.4603","0.0003","18.3197","0.0011","90","","90","","120","","315.63","0.04","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Tetralithium digermanium boride","","- B Ge2 Li4 -","- B Ge2 Li4 -","- B3 Ge6 Li12 -","3","0.166667","","Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut","Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types","Acta Crystallographica Section C","2016","72","7","561","565","10.1107/S2053229616009384","","","0.71073","MoKα","","0.0253","0.0223","","","0.0449","0.0469","","","","","","1.039","","","","has coordinates,has Fobs","185016","2020-10-21","18:00:00",""
"2020536","5.6051","0.0002","8.6411","0.0003","14.3853","0.0006","86.192","0.002","81.237","0.003","87.313","0.002","686.61","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(6<i>RS</i>,11<i>RS</i>)-11-Ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","SK3628","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Diastereoisomeric forms of 11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide: syntheses and the molecular and supramolecular structure of the minor form (6<i>RS</i>,11<i>RS</i>)-11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide","Acta Crystallographica Section C","2016","72","7","549","554","10.1107/S2053229616008950","","","0.71073","MoKα","","0.0895","0.0654","","","0.1595","0.1774","","","","","","1.049","","","","has coordinates,has Fobs","185018","2020-10-21","18:00:00",""
"2020538","15.3542","0.0004","7.9565","0.0002","24.8986","0.0006","90","","98.477","0.002","90","","3008.52","0.13","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)bis(μ~2~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^2^<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]","","- C29 H20 Ag2 N5 O4 S4 -","- C29 H20 Ag2 N5 O4 S4 -","- C116 H80 Ag8 N20 O16 S16 -","4","1","","Dennehy, Mariana; Delgado, Fermín; Freire, Eleonora; Halac, Emilia; Baggio, Ricardo","A polymeric silver thiosaccarinate complex with a two-dimensional triply entangled mesh and argentophilic interactions","Acta Crystallographica Section C","2016","72","7","572","577","10.1107/S2053229616009645","","","0.71073","MoKα","","0.078","0.0655","","","0.1648","0.1713","","","","","","1.171","","","","has coordinates,has Fobs","185022","2020-10-21","18:00:00",""
"2020539","12.0922","0.0006","13.9102","0.0007","23.1235","0.0012","90","","95.51","0.001","90","","3871.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-europium","Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')europium(III)]","","- C92 H86 Eu2 O16 -","- C92 H86 Eu2 O16 -","- C184 H172 Eu4 O32 -","2","0.5","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0543","0.0384","","","0.0846","0.0905","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","185023","2020-10-21","18:00:00",""
"2020540","11.4292","0.0017","21.371","0.003","16.335","0.003","90","","102.37","0.005","90","","3897.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-yttrium","Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)]","","- C92 H86 O16 Y2 -","- C92 H86 O16 Y2 -","- C184 H172 O32 Y4 -","2","0.5","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0714","0.0414","","","0.0853","0.0944","","","","","","1.013","","","","has coordinates,has Fobs","185023","2020-10-21","18:00:00",""
"2020541","13.3716","0.0006","13.5971","0.0006","17.7021","0.0007","93.0794","0.0008","92.9949","0.0008","118.475","0.0007","2813.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","tris(triphenylacetato)-tetrakis(methanol)-europium methanol disolvate","Tetrakis(methanol-κ<i>O</i>)tris(2,2,2-triphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ<i>O</i>-europium(III) methanol disolvate","","- C66 H69 Eu O12 -","- C66 H69 Eu O12 -","- C132 H138 Eu2 O24 -","2","1","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0456","0.0352","","","0.0706","0.0752","","","","","","1.032","","","","has coordinates,has Fobs","185023","2020-10-21","18:00:00",""
"2020542","9.0043","0.0002","10.2212","0.0002","22.7814","0.0005","90","","92.085","0.001","90","","2095.29","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-bromo-2-{[(3-oxidopropyl)imino]methyl}phenolato)dicopper(II)","","- C20 H20 Br2 Cu2 N2 O4 -","- C20 H20 Br2 Cu2 N2 O4 -","- C80 H80 Br8 Cu8 N8 O16 -","4","1","UK3124","Yahsi, Yasemin","X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes","Acta Crystallographica Section C","2016","72","7","585","592","10.1107/S2053229616008974","","","0.71073","MoKα","","0.0221","0.0191","","","0.05","0.0515","","","","","","1.028","","","","has coordinates","185019","2020-10-21","18:00:00",""
"2020543","14.126","0.003","19.394","0.004","17.02","0.003","90","","91.66","0.03","90","","4660.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(diaqua{4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}manganese(III)) bis{μ-4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}bis[aquamanganese(III)] tetrakis(perchlorate) ethanol disolvate","","- C76 H88 Cl12 Mn4 N8 O32 -","- C76 H88 Cl12 Mn4 N8 O32 -","- C152 H176 Cl24 Mn8 N16 O64 -","2","0.5","","Yahsi, Yasemin","X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes","Acta Crystallographica Section C","2016","72","7","585","592","10.1107/S2053229616008974","","","0.71073","MoKα","","0.182","0.0813","","","0.1547","0.1877","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","185019","2020-10-21","18:00:00",""
"2020544","3.8856","0.0003","19.292","0.0011","10.9859","0.0006","90","","92.221","0.006","90","","822.9","0.09","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Difluorocinnamic acid","3-(2,6-Difluorophenyl)prop-2-enoic acid","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.0825","0.0408","","","0.0834","0.0965","","","","","","1.012","","","","has coordinates,has Fobs","184084","2020-10-21","18:00:00",""
"2020545","3.886","0.0006","19.185","0.004","11.1567","0.0014","90","","92.873","0.014","90","","830.7","0.2","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Difluorocinnamic acid‒3,4-bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid (0.858/0.071)","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.1304","0.0742","","","0.1879","0.2326","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","184084","2020-10-21","18:00:00",""
"2020546","7.6212","0.0005","10.3137","0.001","13.1849","0.001","112.145","0.008","96.843","0.006","97.96","0.007","933.94","0.15","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid toluene hemisolvate","","- C21.5 H16 F4 O4 -","- C21.5 H16 F4 O4 -","- C43 H32 F8 O8 -","2","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.0672","0.0479","","","0.1155","0.1274","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","184084","2020-10-21","18:00:00",""
"2020547","19.196","0.003","10.2943","0.0015","22.347","0.003","90","","97.998","0.007","90","","4373","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cu‒Ni‒Cu complex","Bis(dicyanamido-1κ<i>N</i>^1^)bis(dimethyl sulfoxide)-2κ<i>O</i>,3κ<i>O</i>-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';1:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-dicopper(II)nickel(II)","","- C42 H44 Cu2 N10 Ni O6 S2 -","- C42 H44 Cu2 N10 Ni O6 S2 -","- C168 H176 Cu8 N40 Ni4 O24 S8 -","4","1","LF3035","Hopa, Cigdem; Cokay, Ismail","Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties","Acta Crystallographica Section C Structural Chemistry","2016","72","8","","","10.1107/S205322961600944X","","","0.71073","MoKα","","0.0434","0.0307","","","0.0693","0.0742","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","184241","2020-10-21","18:00:00",""
"2020549","7.432","0.0015","9.962","0.002","11.373","0.002","85.63","0.03","85.34","0.03","81.32","0.03","827.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-hydroxyphenyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-1,2,3,4- tetrahydroisoquinoline","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010792","","","0.71073","MoKα","","0.0865","0.0573","","","0.1385","0.1568","","","","","","1.029","","","","has coordinates,has disorder","184372","2020-10-21","18:00:00",""
"2020550","7.429","0.002","14.535","0.004","15.675","0.004","97.575","0.005","98.902","0.005","92.28","0.005","1654.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","2","QS3055","Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010792","","","0.71073","MoKα","","0.1264","0.0692","","","0.1709","0.207","","","","","","0.995","","","","has coordinates,has Fobs","184373","2020-10-21","18:00:00",""
"2020551","11.8062","0.0007","8.0061","0.0004","17.6442","0.0012","90","","107.009","0.007","90","","1594.81","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate","","- C15 H10 F N5 O7 -","- C15 H10 F N5 O7 -","- C60 H40 F4 N20 O28 -","4","1","SK3631","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010494","","","0.71073","MoKα","","0.0666","0.0482","","","0.1189","0.1326","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","184413","2020-10-21","18:00:00",""
"2020552","7.8189","0.0004","8.6727","0.0005","15.9304","0.001","96.439","0.005","94.458","0.005","107.477","0.005","1016.79","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","","- C18 H17 N5 O9 S -","- C18 H17 N5 O9 S -","- C36 H34 N10 O18 S2 -","2","1","SK3631","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010494","","","0.71073","MoKα","","0.0709","0.0474","","","0.112","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","184413","2020-10-21","18:00:00",""
"2020553","9.0386","0.0009","8.2036","0.0008","25.119","0.003","90","","96.385","0.01","90","","1851","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","YF3108","Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011062","","","0.71073","MoKα","","0.1247","0.0573","","","0.1019","0.1257","","","","","","1.033","","","","has coordinates,has Fobs","184463","2020-10-21","18:00:00",""
"2020554","17.756","0.005","10.364","0.003","15.232","0.004","90","","92.774","0.008","90","","2799.8","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>RS</i>)-2,8-Dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","YF3108","Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011062","","","0.71073","MoKα","","0.1047","0.0534","","","0.1049","0.1287","","","","","","1.101","","","","has coordinates,has Fobs","184463","2020-10-21","18:00:00",""
"2020555","7.1772","0.0005","9.9314","0.0006","14.4116","0.0009","96.7621","0.0012","91.9467","0.0012","100.112","0.0012","1002.69","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Strontium vanadium tellurite","Heptastrontium tetravanadium dodecatelluride hentetracontaoxide","","- O41 Sr7 Te12 V4 -","- O41 Sr7 Te12 V4 -","- O41 Sr7 Te12 V4 -","1","0.5","OV3079","Kim, Sun Woo; Emge, Thomas J.; Greenblatt, Martha","A new one-dimensional strontium vanadium tellurite, Sr~7~V~4~Te~12~O~41~","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011475","","","0.71073","MoKα","","0.0362","0.0331","","","0.0834","0.0848","","","","","","1.07","","","","has coordinates,has Fobs","184561","2020-10-21","18:00:00",""
"2020556","7.9688","0.001","11.2412","0.0015","14.6144","0.0019","109.442","0.01","92.075","0.011","100.877","0.011","1205.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diaminopyrimidinium 6-propyl-2-thiouracilate‒2,4-diaminopyrimidine‒<i>N</i>,<i>N</i>-dimethylacetamide‒water (1/1/1/1)","","- C19 H33 N11 O3 S -","- C19 H33 N11 O3 S -","- C38 H66 N22 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0533","0.0363","","","0.0868","0.092","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020557","7.2516","0.0016","8.9841","0.0017","10.736","0.002","109.275","0.016","109.132","0.017","97.283","0.017","601.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒<i>N</i>,<i>N</i>-dimethylformamide (1/1)","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C18 H30 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0453","0.0422","","","0.1137","0.1162","","","","","","1.04","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020558","8.209","0.0015","9.1804","0.0017","9.5617","0.0017","65.128","0.014","83.198","0.015","78.854","0.014","640.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C20 H34 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0553","0.0353","","","0.0744","0.0786","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020559","8.1891","0.0007","17.7131","0.0013","8.3032","0.0008","90","","94.643","0.008","90","","1200.46","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methoxymethyl-2-thiouracil‒dimethyl sulfoxide (1/1)","","- C8 H14 N2 O3 S2 -","- C8 H14 N2 O3 S2 -","- C32 H56 N8 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0481","0.0366","","","0.0836","0.0869","","","","","","1.026","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020560","6.7673","0.0013","9.9189","0.0015","10.4097","0.0017","82.868","0.013","74.093","0.013","74.741","0.013","647.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O3 S -","- C11 H17 N3 O3 S -","- C22 H34 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.046","0.0402","","","0.1092","0.1124","","","","","","1.091","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020561","4.6843","0.0004","13.9818","0.0019","19.5128","0.0019","90","","91.45","0.008","90","","1277.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diaminopyrimidinium 6-methoxymethyl-2-thiouracilate","","- C10 H14 N6 O2 S -","- C10 H14 N6 O2 S -","- C40 H56 N24 O8 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.1074","0.0682","","","0.1475","0.1676","","","","","","0.955","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020562","6.8086","0.0004","8.1414","0.0005","18.6651","0.0014","90","","90","","90","","1034.64","0.12","173","2","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","2,4,6-Triaminopyrimidinium 6-methoxymethyl-2-thiouracilate‒6-methoxymethyl-2-thiouracil (1/1)","","- C16 H23 N9 O4 S2 -","- C16 H23 N9 O4 S2 -","- C32 H46 N18 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0244","0.0239","","","0.062","0.0623","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020563","23.095","0.005","6.843","0.0014","26.222","0.005","90","","90","","90","","4144.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aquabis[μ~3~-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]copper(II)dicopper(I)]","","- C20 H12 Cu3 N6 O9 -","- C20 H12 Cu3 N6 O9 -","- C160 H96 Cu24 N48 O72 -","8","1","EG3205","Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si","A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate","Acta Crystallographica Section C","2016","72","8","","","10.1107/S205322961601161X","","","0.72","synchrotron","","0.0379","0.035","","","0.0996","0.1015","","","","","","1.077","","","","has coordinates,has Fobs","184617","2020-10-21","18:00:00",""
"2020564","10.059","0.006","20.839","0.013","13.198","0.008","90","","106.567","0.009","90","","2652","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(μ~3~-2,2-dimethylbutanoato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^)dizinc(II)]","","- C26 H30 N4 O8 Zn2 -","- C26 H30 N4 O8 Zn2 -","- C104 H120 N16 O32 Zn8 -","4","0.5","YF3105","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section C Structural Chemistry","2016","72","9","","","10.1107/S2053229616010603","","","0.71073","MoKα","","0.0504","0.0385","","","0.0926","0.0981","","","","","","1.004","","","","has coordinates,has Fobs","185736","2020-10-21","18:00:00",""
"2020565","10.575","0.003","20.477","0.005","13.938","0.003","90","","115.703","0.014","90","","2719.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(μ~3~-2,2-dimethylbutanoato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^)dicadmium(II)]","","- C26 H30 Cd2 N4 O8 -","- C26 H30 Cd2 N4 O8 -","- C104 H120 Cd8 N16 O32 -","4","0.5","","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section C Structural Chemistry","2016","72","9","","","10.1107/S2053229616010603","","","0.71073","MoKα","","0.0388","0.0342","","","0.089","0.0924","","","","","","1.049","","","","has coordinates,has Fobs","185736","2020-10-21","18:00:00",""
"2020566","14.73","0.006","12.413","0.005","16.464","0.005","90","","90","","90","","3010","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-[(2-Chloroquinolin-3-yl)methylidene]-2-(4-methylphenyl)hydrazine","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C136 H112 Cl8 N24 -","8","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0841","0.0427","","","0.1071","0.1252","","","","","","1.015","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020567","6.6676","0.0017","26.571","0.008","7.912","0.002","90","","104.561","0.009","90","","1356.7","0.6","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-Methylphenyl)-4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.1098","0.0596","","","0.137","0.1568","","","","","","1.043","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020568","25.145","0.002","16.9623","0.0019","16.8138","0.0019","90","","90","","90","","7171.4","1.3","300","2","300","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1-Phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C16 H11 N3 -","- C16 H11 N3 -","- C384 H264 N72 -","24","3","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0821","0.0471","","","0.1002","0.1187","","","","","","1.082","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020569","29.9202","0.0012","29.9202","0.0012","7.3811","0.0003","90","","90","","120","","5722.4","0.4","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","6-Methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H13 N3 -","- C17 H13 N3 -","- C306 H234 N54 -","18","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0814","0.0564","","","0.1468","0.1729","","","","","","1.039","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020570","10.1018","0.0004","10.6099","0.0005","18.8129","0.0011","100.292","0.003","91.881","0.003","116.873","0.002","1754.78","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H18 Cl N3 O2 -","- C19 H18 Cl N3 O2 -","- C76 H72 Cl4 N12 O8 -","4","2","SK3634","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012870","","","0.71073","MoKα","","0.0738","0.0457","","","0.1114","0.1326","","","","","","1.033","","","","has coordinates,has Fobs","185969","2020-10-21","18:00:00",""
"2020571","23.023","0.003","8.2976","0.001","21.602","0.003","90","","120.957","0.014","90","","3538.9","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-Chlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H18 Cl N3 O2 -","- C19 H18 Cl N3 O2 -","- C152 H144 Cl8 N24 O16 -","8","1","SK3634","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012870","","","0.71073","MoKα","","0.0684","0.0512","","","0.1333","0.1494","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","185969","2020-10-21","18:00:00",""
"2020572","5.299","0.0011","9.072","0.0018","10.604","0.002","92.3","0.03","90.1","0.03","99.61","0.03","502.18","0.18","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","3,14-Dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane","","- C22 H40 N4 -","- C22 H40 N4 -","- C22 H40 N4 -","1","0.5","EG3206","Moon, Dohyun; Hong, Yong Pyo; Choi, Jong-Ha","Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013280","","","0.63001","synchrotron","","0.0978","0.0623","","","0.1628","0.189","","","","","","0.972","","","","has coordinates,has Fobs","186035","2020-10-21","18:00:00",""
"2020573","20.6614","0.0019","12.6052","0.0011","9.1691","0.0009","90","","109.284","0.009","90","","2254","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis(3-fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C104 H80 F16 N16 O8 -","8","1","LG3192","Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.","Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013565","","","0.71073","MoKα","","0.0827","0.0542","","","0.1277","0.1452","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","186036","2020-10-21","18:00:00",""
"2020574","23.5797","0.0019","10.1792","0.0008","4.6031","0.0004","90","","90","","90","","1104.85","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","b-mFPU","1,3-Bis(3-fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C52 H40 F8 N8 O4 -","4","1","","Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.","Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013565","","","0.71073","MoKα","","0.0333","0.0299","","","0.0696","0.0715","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","186036","2020-10-21","18:00:00",""
"2020575","12.033","0.0017","4.0256","0.0003","11.5992","0.0015","90","","118.346","0.01","90","","494.5","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pyrimidine-2,4-diamine","","- C4 H6 N4 -","- C4 H6 N4 -","- C16 H24 N16 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0422","0.0386","","","0.1074","0.1095","","","","","","1.1","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020576","7.6282","0.0014","7.2157","0.0009","13.879","0.002","90","","102.243","0.015","90","","746.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrimidine-2,4-diamine‒1,4-dioxane (2/1)","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0406","0.0362","","","0.0951","0.0972","","","","","","1.117","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020577","8.0055","0.001","8.0256","0.001","9.3143","0.0011","81.779","0.002","78.053","0.002","62.518","0.002","518.63","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Pyrimidine-2,4-diamine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H15 N5 O -","- C8 H15 N5 O -","- C16 H30 N10 O2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.1665","0.1125","","","0.2535","0.2856","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020578","7.387","0.0006","24.8978","0.0013","11.5485","0.0008","90","","98.824","0.006","90","","2098.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidine-2,4-diamine‒1-methylpyrrolidin-2-one (1/1)","","- C9 H15 N5 O -","- C9 H15 N5 O -","- C72 H120 N40 O8 -","8","2","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0634","0.054","","","0.1484","0.1565","","","","","","1.035","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020579","4.6822","0.0007","15.948","0.003","13.514","0.002","90","","90.24","0.013","90","","1009.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Diaminopyrimidinium barbiturate","2,4-Diaminopyrimidinium 2,4,6-trioxopyrimidin-5-ide","","- C8 H10 N6 O3 -","- C8 H10 N6 O3 -","- C32 H40 N24 O12 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0751","0.0488","","","0.0895","0.0972","","","","","","0.971","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020580","8.0115","0.0009","19.2213","0.0014","12.9531","0.0013","90","","90.23","0.008","90","","1994.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Diaminopyrimidinium 2-thiobarbiturate‒<i>N</i>,<i>N</i>-dimethylformamide (1/2)","2,4-Diaminopyrimidinium 4,6-dioxo-2-sulfanylidenepyrimidin-5-ide‒<i>N</i>,<i>N</i>-dimethylformamide (1/2)","","- C14 H24 N8 O4 S -","- C14 H24 N8 O4 S -","- C56 H96 N32 O16 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0552","0.0404","","","0.0977","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020581","9.8868","0.0012","17.238","0.0014","12.8571","0.0014","90","","88.151","0.009","90","","2190.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Diaminopyrimidinium 2-thiobarbiturate‒<i>N</i>,<i>N</i>-dimethylacetamide (1/2)","2,4-Diaminopyrimidinium 4,6-dioxo-2-sulfanylidene‒<i>N</i>,<i>N</i>-dimethylacetamide (1/2)","","- C16 H28 N8 O4 S -","- C16 H28 N8 O4 S -","- C64 H112 N32 O16 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0822","0.0471","","","0.0939","0.1034","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020582","11.6762","0.0012","18.3463","0.0019","16.07","0.0016","90","","100.105","0.002","90","","3389","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ~3~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ~2~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)","","- C80 H60 Co4 N8 O8 -","- C80 H60 Co4 N8 O8 -","- C160 H120 Co8 N16 O16 -","2","0.5","LF3039","Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning","Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601281X","","","0.71073","MoKα","","0.0824","0.0397","","","0.0816","0.0958","","","","","","0.998","","","","has coordinates,has Fobs","186038","2020-10-21","18:00:00",""
"2020583","16.4384","0.0011","25.2929","0.0018","6.9599","0.0005","90","","91.493","0.003","90","","2892.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua[μ~4~-(4,5-dicyano-1,2-phenylene)bis(phosphonato)][μ~3~-(4,5-dicyano-1,2-phenylene)bis(phosphonato)]dicalcium(II)] tetrahydrate]","","- C16 H20 Ca2 N4 O18 P4 -","- C16 H18 Ca2 N4 O18 P4 -","- C64 H72 Ca8 N16 O72 P16 -","4","1","","Venkatramaiah, Nutalapati; Mendes, Ricardo F.; Silva, Artur M. S.; Tomé, João P. C.; Almeida Paz, Filipe A.","A ladder coordination polymer based on Ca^2+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012328","","","0.71073","MoKα","","0.073","0.0509","","","0.1249","0.1326","","","","","","1.122","","","","has coordinates,has Fobs","186039","2020-10-21","18:00:00",""
"2020584","9.995","0.002","10.294","0.002","10.796","0.002","108.73","0.03","99.81","0.03","94.99","0.03","1024.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-1,4-bis{[1-(pyridin-3-ylmethyl)-1<i>H</i>-benz[<i>d</i>]imidazol-2-yl]methoxy}benzene)bis(μ~2~-isophthalato)dicobalt(II)]","","- C25 H20 Co N3 O6 -","- C25 H20 Co N3 O6 -","- C50 H40 Co2 N6 O12 -","2","1","","Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng","Two new two-dimensional coordination polymers based on isophthalate and a flexible <i>N</i>-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study","Acta Crystallographica Section C","2016","72","10","724","729","10.1107/S2053229616012912","","","0.71073","MoKα","","0.0558","0.0444","","","0.0941","0.1037","","","","","","1.036","","","","has coordinates,has Fobs","187987","2020-10-21","18:00:00",""
"2020585","9.9608","0.0008","10.548","0.001","11.1137","0.0013","108.408","0.01","99.712","0.008","96.218","0.007","1075.6","0.2","294.77","0.1","294.77","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-1,4-bis{[1-(pyridin-3-ylmethyl)-1<i>H</i>-benz[<i>d</i>]imidazol-2-yl]methoxy}benzene)bis(μ~2~-isophthalato)dicadmium(II)]","","- C25 H20 Cd N3 O6 -","- C25 H20 Cd N3 O6 -","- C50 H40 Cd2 N6 O12 -","2","1","","Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng","Two new two-dimensional coordination polymers based on isophthalate and a flexible <i>N</i>-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study","Acta Crystallographica Section C","2016","72","10","724","729","10.1107/S2053229616012912","","","0.71073","MoKα","","0.0516","0.0415","","","0.0844","0.0925","","","","","","1.018","","","","has coordinates,has Fobs","187987","2020-10-21","18:00:00",""
"2020586","6.577","0.0002","9.5518","0.0003","17.8425","0.0013","90","","96.026","0.005","90","","1114.71","0.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isobutylammonium 7-oxocyclohepta-1,3,5-trien-1-olate","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","FN3219","Vealey, Zachary N.; Mercado, Brandon Q.; Vaccaro, Patrick H.","The tropolone‒isobutylamine complex: a hydrogen-bonded troponoid without dominant π‒π interactions","Acta Crystallographica Section C","2016","72","10","730","737","10.1107/S2053229616013474","","","1.54178","CuKα","","0.0401","0.0357","","","0.0934","0.0964","","","","","","1.071","","","","has coordinates,has Fobs","187991","2020-10-21","18:00:00",""
"2020587","8.529","0.002","7.352","0.002","15.075","0.003","90","","100.18","0.03","90","","930.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-ethyl-10-hydroxycamptothecin","(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinoline-3,14(4H,12H)dione","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","YO3022","Ali, Md. Ashraf; Noguchi, Shuji; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru","The antitumour drug 7-ethyl-10-hydroxycamptothecin monohydrate and its solid-state hydrolysis mechanism on heating","Acta Crystallographica Section C","2016","72","10","743","747","10.1107/S2053229616014492","","","0.70041","synchrotron(SPring-8BL02B1)","","0.0543","0.0431","","","0.1114","0.1197","","","","","","0.836","","","","has coordinates","187988","2020-10-21","18:00:00",""
"2020588","14.521","0.0008","15.5102","0.0009","15.6438","0.0009","80.506","0.005","88.951","0.005","70.168","0.005","3266.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tryptaminium 3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","Tryptaminium‒3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","","- C69 H66 N14 O20 -","- C69 H66 N14 O20 -","- C138 H132 N28 O40 -","2","1","KY3107","Lynch, Daniel E.; Smith, Graham; Keene, Tony D.; Horton, Peter N.","Crystal structure and hydrogen bonding in the hydrated cocrystalline salt tryptaminium‒3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","Acta Crystallographica Section C","2016","72","10","738","742","10.1107/S2053229616014728","","","0.71073","MoKα","","0.2187","0.0808","","","0.1409","0.1914","","","","","","0.976","","","","has coordinates,has Fobs","187989","2020-10-21","18:00:00",""
"2020589","19.749","0.01","7.284","0.003","13.374","0.007","90","","125.89","0.013","90","","1558.6","1.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-Diacetylbenzene‒1,4-diethynylbenzene (1/1)","1-(3-Acetylphenyl)ethan-1-one‒1,4-diethynylbenzene (1/1)","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","0.5","FN3222","Bosch, Eric","Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components","Acta Crystallographica Section C","2016","72","10","748","752","10.1107/S2053229616014972","","","0.71073","MoKα","","0.0648","0.0514","","","0.1422","0.1588","","","","","","1.053","","","","has coordinates,has Fobs","187990","2020-10-21","18:00:00",""
"2020590","7.6207","0.0011","8.5205","0.0013","10.3361","0.0015","90","","91.762","0.003","90","","670.83","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzene-1,4-dicarbaldehyde‒1,4-diethynylbenzene (1/1)","Benzene-1,4-dicarbaldehyde‒1,4-diethynylbenzene (1/1)","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","0.5","","Bosch, Eric","Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components","Acta Crystallographica Section C","2016","72","10","748","752","10.1107/S2053229616014972","","","0.71073","MoKα","","0.0691","0.0474","","","0.1132","0.129","","","","","","1.036","","","","has coordinates,has Fobs","187990","2020-10-21","18:00:00",""
"2020591","8.3747","0.0004","10.5732","0.0005","11.0883","0.0004","76.67","0.004","89.496","0.003","82.641","0.004","947.3","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>)(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)\ carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chloridoplatinum(II) monohydrate","","- C17 H24 Cl N O5 Pt -","- C17 H24 Cl N O5 Pt -","- C34 H48 Cl2 N2 O10 Pt2 -","2","1","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0242","0.0213","","","0.0491","0.0506","","","","","","1.089","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020592","8.792","0.0003","12.1383","0.0004","17.4745","0.0006","87.03","0.003","82.074","0.003","87.651","0.003","1843.5","0.11","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(dimethyl sulfoxide-κ<i>N</i>)platinum(II)","","- C16 H23 Cl O5 Pt S -","- C16 H23 Cl O5 Pt S -","- C64 H92 Cl4 O20 Pt4 S4 -","4","2","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0288","0.0239","","","0.0484","0.051","","","","","","1.052","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020593","13.56","0.0003","7.98332","0.00019","15.8057","0.0004","90","","104.815","0.003","90","","1654.15","0.07","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","","- C30 H38 Cl2 O8 Pt2 -","- C30 H38 Cl2 O8 Pt2 -","- C60 H76 Cl4 O16 Pt4 -","2","0.5","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0183","0.0154","","","0.0358","0.0371","","","","","","1.082","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020594","8.0707","0.0014","7.8733","0.0013","7.9305","0.0013","90","","90","","90","","503.93","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Acetic anhydride","Ethanoic anhydride","","- C4 H6 O3 -","- C4 H6 O3 -","- C16 H24 O12 -","4","0.5","YF3110","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Acetic anhydride at 100K: the first crystal structure determination","Acta Crystallographica Section C","2016","72","10","753","757","10.1107/S2053229616015047","","","1.54178","CuKα","","0.0251","0.0248","","","0.0633","0.0635","","","","","","1.093","","","","has coordinates,has Fobs","186847","2020-10-21","18:00:00",""
"2020596","10.2899","0.0005","10.6653","0.0004","15.9818","0.001","72.157","0.006","83.838","0.008","67.742","0.007","1545.08","0.16","179","","179","","","","","","","","","8","P -1","-P 1","2","","Dichlorido(methanol-κ<i>O</i>)[tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl-κ<i>S</i>)hydroborato]bismuth(III)","","- C22 H38 B Bi Cl2 N6 O S3 -","- C22 H38 B Bi Cl2 N6 O S3 -","- C44 H76 B2 Bi2 Cl4 N12 O2 S6 -","2","1","YP3123","Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K.","Mono- and binuclear tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to <i>p</i>-block elements","Acta Crystallographica Section C","2016","72","11","768","776","10.1107/S2053229616010615","","","0.71075","MoKα","","0.013","0.0123","","","0.0314","0.0315","","","","","","1.009","","","","has coordinates,has Fobs","188933","2020-10-21","18:00:00",""
"2020597","10.8009","0.0011","11.3698","0.0014","11.869","0.0013","95.125","0.004","91.947","0.004","99.549","0.003","1429.9","0.3","179","","179","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{chlorido[tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-\ imidazol-1-yl-κ<i>S</i>)hydroborato]bismuth(III)}","","- C42 H68 B2 Bi2 Cl4 N12 S6 -","- C42 H68 B2 Bi2 Cl4 N12 S6 -","- C42 H68 B2 Bi2 Cl4 N12 S6 -","1","0.5","YP3123","Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K.","Mono- and binuclear tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to <i>p</i>-block elements","Acta Crystallographica Section C","2016","72","11","768","776","10.1107/S2053229616010615","","","0.71075","MoKα","","0.014","0.0132","","","0.0331","0.0332","","","","","","1.043","","","","has coordinates,has Fobs","188933","2020-10-21","18:00:00",""
"2020598","11.7826","0.0011","11.7826","0.0011","47.755","0.0004","90","","90","","120","","5741.6","0.8","182","","182","","","","","","","","","6","R -3 :H","-R 3","148","","[Tris(3-mesityl-5-methyl-1<i>H</i>-pyrazol-1-yl-\ κ<i>N</i>^2^)hydroborato]thallium(I) monohydrate","","- C39 H48 B N6 O Tl -","- C39 H46 B N6 Tl -","- C234 H276 B6 N36 Tl6 -","6","0.333333","YP3109","Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K.","Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}]","Acta Crystallographica Section C","2016","72","11","786","790","10.1107/S2053229615023797","","","0.71075","MoKα","","0.0222","0.0209","","","0.0595","0.0598","","","","","","1.171","","","","has coordinates,has Fobs","188934","2020-10-21","18:00:00",""
"2020599","11.5262","0.0013","11.8485","0.0015","14.523","0.002","108.735","0.004","100.095","0.003","94.933","0.009","1827.5","0.4","178","","178","","","","","","","","","5","P -1","-P 1","2","","[Bis(3-mesityl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)(5-mesityl-3-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]thallium(I)","","- C39 H46 B N6 Tl -","- C39 H46 B N6 Tl -","- C78 H92 B2 N12 Tl2 -","2","1","YP3109","Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K.","Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}]","Acta Crystallographica Section C","2016","72","11","786","790","10.1107/S2053229615023797","","","0.71075","MoKα","","0.0158","0.0146","","","0.038","0.0383","","","","","","1.119","","","","has coordinates,has Fobs","188934","2020-10-21","18:00:00",""
"2020600","12.833","0.005","21.295","0.008","22.787","0.009","69.299","0.006","74.191","0.006","89.546","0.006","5578","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[Hydrotris(3,4-dibromo-5-phenyl-pyrazolyl)borato-κ<i>N</i>^2^][hydrotris(3-neopentylpyrazolyl-κ<i>N</i>^2^)lborato]nickel(II)","","- C51 H56 B2 Br6 N12 Ni -","- C51 H56 B2 Br6 N12 Ni -","- C204 H224 B8 Br24 N48 Ni4 -","4","2","FO3001","Trofimenko, Swiatoslaw; Jové, Fernando; Yap, Glenn P. A.","An unusual bis-heteroscorpionate complex with anomalous ligands: [tris(3,4-dibromo-5-phenylpyrazolyl)hydroborato][hydrotris(3-neopentylpyrazolyl)borato]nickel(II)","Acta Crystallographica Section C","2016","72","11","802","805","10.1107/S2053229616001376","","","0.71073","MoKα","","0.0663","0.0402","","","0.086","0.0945","","","","","","1.014","","","","has coordinates,has Fobs","188935","2020-10-21","18:00:00",""
"2020601","9.9552","0.0006","13.1693","0.0008","24.7993","0.0014","90","","91.463","0.002","90","","3250.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borato]thallium(I)","","- C36 H28 B N8 Tl -","- C36 H28 B N8 Tl -","- C144 H112 B4 N32 Tl4 -","4","1","YP3117","Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José","The structures of two scorpionates: thallium tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borate","Acta Crystallographica Section C","2016","72","11","819","825","10.1107/S2053229616007385","","","1.54178","CuKα","","0.0348","0.0285","","","0.0688","0.0721","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","188936","2020-10-21","18:00:00",""
"2020602","19.547","0.008","8.391","0.003","17.153","0.008","90","","117.111","0.012","90","","2504.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[potassium-[μ~2~-tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borato]]","","- C24 H28 B K N8 -","- C24 H28 B K N8 -","- C96 H112 B4 K4 N32 -","4","0.5","YP3117","Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José","The structures of two scorpionates: thallium tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borate","Acta Crystallographica Section C","2016","72","11","819","825","10.1107/S2053229616007385","","","1.54178","CuKα","","0.0944","0.051","","","0.1126","0.1353","","","","","","1.032","","","","has coordinates,has Fobs","188936","2020-10-21","18:00:00",""
"2020603","8.9547","0.0007","11.3267","0.0008","11.8011","0.0009","102.919","0.001","103.564","0.001","96.901","0.001","1115.14","0.15","100","2","99.96","","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>){tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl-κ<i>N</i>^2^]hydroborato}silver(I)","","- C17 H16 Ag B F9 N7 -","- C17 H16 Ag B F9 N7 -","- C34 H32 Ag2 B2 F18 N14 -","2","1","YP3116","Dias, H. V. Rasika; Kulkarni, Naveen","The silver(I) complex [HB{3-(CF~3~),5-(CH~3~)Pz}~3~]AgNCCH~3~ supported by a partially fluorinated scorpionate ligand","Acta Crystallographica Section C","2016","72","11","853","856","10.1107/S2053229616006744","","","0.71073","MoKα","","0.0214","0.021","","","0.0545","0.0548","","","","","","1.059","","","","has coordinates,has Fobs","188937","2020-10-21","18:00:00",""
"2020604","20.4544","0.0006","11.9881","0.0004","21.4952","0.0007","90","","93.493","0.001","90","","5261","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-(μ-5-{[tris(pyrazol-1-yl)methoxy]methyl-κ^2^<i>N</i>,<i>N</i>'}-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')] diethyl ether hemisolvate]","","- C24 H25 Ag B F4 N8 O1.5 -","- C24 H25 Ag B F4 N8 O1.5 -","- C192 H200 Ag8 B8 F32 N64 O12 -","8","1","YP3124","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","826","831","10.1107/S2053229616012171","","","0.71073","MoKα","","0.0596","0.048","","","0.1209","0.1296","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","188940","2020-10-21","18:00:00",""
"2020605","8.8322","0.0005","11.4361","0.0007","14.4346","0.0009","67.708","0.001","73.552","0.001","89.664","0.001","1285.31","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bromidotricarbonyl(5-{[tris(pyrazol-1-yl)methoxy]methyl}-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')rhenium(I)","","- C25 H20 Br N8 O4 Re -","- C25 H20 Br N8 O4 Re -","- C50 H40 Br2 N16 O8 Re2 -","2","1","","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","826","831","10.1107/S2053229616012171","","","0.71073","MoKα","","0.0519","0.0403","","","0.0806","0.0852","","","","","","0.966","","","","has coordinates,has Fobs","188940","2020-10-21","18:00:00",""
"2020606","13.175","0.007","13.672","0.007","19.571","0.01","77.203","0.007","80.89","0.007","89.522","0.007","3393","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-cyclohexyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)} acetonitrile disolvate","","- C68 H98 B2 Co2 N14 O4 -","- C68 H98 B2 Co2 N14 O4 -","- C136 H196 B4 Co4 N28 O8 -","2","1","YP3119","Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.","New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand","Acta Crystallographica Section C","2016","72","11","777","785","10.1107/S205322961601398X","","","0.71073","MoKα","","0.1678","0.0826","","","0.1973","0.229","","","","","","1.17","","","","has coordinates,has disorder,has Fobs","188941","2020-10-21","18:00:00",""
"2020607","19.63","0.003","61.387","0.01","10.422","0.0017","90","","90","","90","","12559","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-neopentyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)}","","- C58 H92 B2 N12 Ni2 O4 -","- C58 H92 B2 N12 Ni2 O4 -","- C464 H736 B16 N96 Ni16 O32 -","8","0.5","YP3119","Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.","New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand","Acta Crystallographica Section C","2016","72","11","777","785","10.1107/S205322961601398X","","","0.71073","MoKα","","0.0324","0.0297","","","0.0695","0.0714","","","","","","1.024","","","","has coordinates,has Fobs","188941","2020-10-21","18:00:00",""
"2020608","8.4544","0.0008","15.0084","0.0014","10.6904","0.001","90","","95.975","0.002","90","","1349.1","0.2","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","jonyj35","(Pentanenitrile-κ<i>N</i>)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylimidazol-1-yl)hydroborato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]rhodium(I)","","- C23 H40 B N7 P Rh -","- C23 H40 B N7 P Rh -","- C46 H80 B2 N14 P2 Rh2 -","2","1","YP3115","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Nitrile coordination to rhodium does not lead to C—H activation","Acta Crystallographica Section C","2016","72","11","850","852","10.1107/S2053229616006859","","","0.71073","MoKα","","0.0908","0.053","","","0.0829","0.0964","","","","","","0.991","","","","has coordinates,has Fobs","188942","2020-10-21","18:00:00",""
"2020609","11.69","0.003","11.844","0.004","25.618","0.006","91.698","0.006","93.037","0.004","119.345","0.003","3081.2","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(2,6-Dimethylphenolato-κ<i>O</i>)[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato]nickel(II)","","- C35 H31 B N6 Ni O -","- C35 H31 B N6 Ni O -","- C140 H124 B4 N24 Ni4 O4 -","4","2","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0688","0.0446","","","0.1032","0.1147","","","","","","1.026","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020610","8.428","0.003","13.516","0.007","15.064","0.007","99.293","0.015","102.679","0.016","90.9","0.016","1649.8","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(4-<i>tert</i>-Butylphenolato-κ<i>O</i>)[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato]nickel(II)","","- C37 H35 B N6 Ni O -","- C37 H35 B N6 Ni O -","- C74 H70 B2 N12 Ni2 O2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.1053","0.0605","","","0.1309","0.1544","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","188944","2020-10-21","18:00:00",""
"2020611","10.868","0.004","11.985","0.004","28.705","0.008","90","","90","","90","","3739","2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](phenolato-κ<i>O</i>)(tetrahydrofuran-κ<i>O</i>)nickel(II) tetrahydrofuran monosolvate","","- C41 H43 B N6 Ni O3 -","- C41 H43 B N6 Ni O3 -","- C164 H172 B4 N24 Ni4 O12 -","4","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0324","0.0308","","","0.0814","0.083","","","","","","1.063","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020612","11.941","0.002","11.986","0.002","14.034","0.002","80.223","0.002","81.483","0.002","67.81","0.002","1825.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chlorido[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](3-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) chloroform monosolvate","","- C37 H31 B Cl4 N8 Ni -","- C37 H31 B Cl4 N8 Ni -","- C74 H62 B2 Cl8 N16 Ni2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0698","0.0547","","","0.1487","0.1632","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","188944","2020-10-21","18:00:00",""
"2020613","8.505","0.005","13.071","0.008","13.531","0.008","79.484","0.009","78.356","0.006","87.112","0.009","1448.4","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","[Hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](phenolato-κ<i>O</i>)nickel(II)","","- C33 H27 B N6 Ni O -","- C33 H27 B N6 Ni O -","- C66 H54 B2 N12 Ni2 O2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0725","0.0681","","","0.2032","0.2054","","","","","","1.067","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020614","8.956","0.0011","15.7745","0.0016","28.455","0.003","90","","94.067","0.003","90","","4009.9","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraphenylphosphonium tris(thiocyanato-κ<i>N</i>)[1,1,1-tris(pyridin-2-yl)ethane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(II)","","- C44 H35 Fe N6 P S3 -","- C44 H35 Fe N6 P S3 -","- C176 H140 Fe4 N24 P4 S12 -","4","1","YP3112","Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru","An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour","Acta Crystallographica Section C","2016","72","11","797","801","10.1107/S2053229616004174","","","0.71073","MoKα","","0.0748","0.0566","","","0.1441","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","188946","2020-10-21","18:00:00",""
"2020615","9.069","0.002","15.984","0.003","28.82","0.006","90","","93.316","0.018","90","","4170.7","1.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraphenylphosphonium tris(thiocyanato-κ<i>N</i>)[1,1,1-tris(pyridin-2-yl)ethane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(II)","","- C44 H35 Fe N6 P S3 -","- C44 H35 Fe N6 P S3 -","- C176 H140 Fe4 N24 P4 S12 -","4","1","YP3112","Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru","An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour","Acta Crystallographica Section C","2016","72","11","797","801","10.1107/S2053229616004174","","","0.71073","MoKα","","0.1186","0.0338","","","0.0444","0.0507","","","","","","0.627","","","","has coordinates,has Fobs","188946","2020-10-21","18:00:00",""
"2020616","9.669","0.003","14.332","0.004","23.263","0.006","90","","97.809","0.005","90","","3193.8","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C31 H42 B Fe N6 Tl -","- C31 H42 B Fe N6 Tl -","- C124 H168 B4 Fe4 N24 Tl4 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0477","0.0339","","","0.0701","0.0773","","","","","","1.016","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020617","21.4659","0.0009","15.7392","0.0007","17.27","0.0007","90","","97.87","0.002","90","","5779.8","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Ferrocenyltris(3-isopropylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C28 H36 B Fe N6 Tl -","- C28 H36 B Fe N6 Tl -","- C224 H288 B8 Fe8 N48 Tl8 -","8","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","1.54178","CuKα","","0.0833","0.0608","","","0.1575","0.177","","","","","","1.041","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020618","10.3229","0.0019","18.362","0.003","16.642","0.003","90","","98.595","0.004","90","","3119","1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)","","- C31 H42 B Cl Co Fe N6 -","- C31 H42 B Cl Co Fe N6 -","- C124 H168 B4 Cl4 Co4 Fe4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.078","0.0488","","","0.1012","0.1161","","","","","","1.04","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020619","10.015","0.006","27.481","0.007","15.483","","90","0.019","92.66","","90","","4257","3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]iodidocobalt(II) benzene disolvate","","- C43 H54 B Co Fe I N6 -","- C43 H54 B Co Fe I N6 -","- C172 H216 B4 Co4 Fe4 I4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0362","0.0288","","","0.0672","0.0711","","","","","","1.031","","","","has coordinates,has disorder","188948","2020-10-21","18:00:00",""
"2020620","12.7937","0.0008","16.0612","0.001","14.7531","0.0009","90","","99.794","0.001","90","","2987.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ferrocenyltris(3-isopropylpyrazol-1-yl-κ<i>N</i>^2^)borato]iodidocobalt(II)","","- C28 H36 B Co Fe I N6 -","- C28 H36 B Co Fe I N6 -","- C112 H144 B4 Co4 Fe4 I4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0472","0.0323","","","0.0843","0.0933","","","","","","1.085","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020621","11.2742","0.001","22.304","0.003","14.4624","0.0003","90","","95.3065","0.0006","90","","3621.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tetrakis(3-methyl-1<i>H</i>-pyrazol-1-yl)borato]samarium(II)","","- C32 H40 B2 N16 Sm -","- C32 H40 B2 N16 Sm -","- C128 H160 B8 N64 Sm4 -","4","1","YP3122","Arikawa, Yasuhiro; Inada, Kei-ichiro; Onishi, Masayoshi","Side-on coordination mode of a pyrazolyl group in the structure of a divalent [Sm{B(3-Mepz)~4~}~2~] complex (3-Mepz is 3-methylpyrazol-1-yl)","Acta Crystallographica Section C","2016","72","11","838","841","10.1107/S2053229616011578","","","0.71069","MoKα","","0.0646","0.051","","","0.1097","0.1156","","","","","","1.138","","","","has coordinates,has Fobs","188949","2020-10-21","18:00:00",""
"2020622","14.761","0.003","11.358","0.002","20.73","0.004","90","","102.13","0.003","90","","3397.9","1.1","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^5^-cyclopentadienyl)[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]zirconium(IV) benzene hemisolvate","","- C29 H42 B Cl2 N6 S3 Zr -","- C29 H42 B Cl2 N6 S3 Zr -","- C116 H168 B4 Cl8 N24 S12 Zr4 -","4","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1456","0.058","","","0.0855","0.1062","","","","","","1.021","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020623","14.72","0.007","11.327","0.005","20.422","0.01","90","","102.593","0.007","90","","3323","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^5^-cyclopentadienyl)[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]titanium(IV) benzene hemisolvate","","- C29 H42 B Cl2 N6 S3 Ti -","- C29 H42 B Cl2 N6 S3 Ti -","- C116 H168 B4 Cl8 N24 S12 Ti4 -","4","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1719","0.0496","","","0.0763","0.0939","","","","","","0.678","","","","has coordinates,has disorder","188952","2020-10-21","18:00:00",""
"2020624","10.202","0.003","18.21","0.006","13.356","0.004","90","","90.814","0.005","90","","2481","1.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Bis(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]dichlorido(η^5^-cyclopentadienyl)zirconium(IV)","","- C19 H29 B Cl2 N4 S2 Zr -","- C19 H29 B Cl2 N4 S2 Zr -","- C76 H116 B4 Cl8 N16 S8 Zr4 -","4","2","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.0892","0.0558","","","0.1144","0.1291","","","","","","1.001","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020625","10.5741","0.0017","10.7222","0.0017","14.246","0.004","93.93","0.003","92.094","0.003","118.274","0.002","1414.7","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-thione-κ<i>S</i>)(1-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-3-ido-κ^2^<i>N</i>^3^,<i>S</i>)dichlorido(η^5^-cyclopentadienyl)zirconium(IV) benzene monosolvate","","- C25 H34 Cl2 N4 S2 Zr -","- C25 H34 Cl2 N4 S2 Zr -","- C50 H68 Cl4 N8 S4 Zr2 -","2","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.0941","0.049","","","0.0855","0.0978","","","","","","1","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020626","23.1441","0.0013","23.1441","0.0013","23.1441","0.0013","90","","90","","90","","12397.1","1.2","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tribenzyl[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>'']hafnium(IV) benzene tetrasolvate","","- C66 H79 B Hf N6 S3 -","- C65.9994 H78.9994 B Hf N6 S3 -","- C527.995 H631.995 B8 Hf8 N48 S24 -","8","0.333333","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1233","0.0584","","","0.1745","0.1979","","","","","","1.051","","","","has coordinates,has disorder","188952","2020-10-21","18:00:00",""
"2020627","10.8792","0.0017","13.221","0.002","15.972","0.003","90","","96.899","0.002","90","","2280.7","0.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Chloro(Phenyltris(oxiazolynyl)borato)nickel(II)]","Ni(Ph-To)Cl","","- C21 H29 B Cl N3 Ni O3 -","- C21 H29 B Cl N3 Ni O3 -","- C84 H116 B4 Cl4 N12 Ni4 O12 -","4","1","","Takayama, Tomoaki; Nakazawa, Jun; Hikichi, Shiro","A pseudotetrahedral nickel(II) complex with a tridentate oxazoline-based scorpionate ligand: chlorido[tris(4,4-dimethyloxazolin-2-yl)phenylborato]nickel(II)","Acta Crystallographica Section C","2016","72","11","842","845","10.1107/S2053229616012183","","","0.71073","MoKα","","0.0291","0.0235","","","0.059","0.0612","","","","","","0.987","","","","has coordinates,has Fobs","188953","2020-10-21","18:00:00",""
"2020628","14.4909","0.0006","16.1418","0.0007","18.2891","0.0008","90","","97.687","0.001","90","","4239.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[[bis[acetonitrilecadmium(II)]-μ-4-1,2,4,5-([2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]methyl}benzene] tetrakis(tetrafluoridoborate)]‒diethyl ether‒acetonitrile (1/2/2)],","","- C70 H86 B4 Cd2 F16 N28 O6 -","- C70 H86 B4 Cd2 F16 N28 O6 -","- C140 H172 B8 Cd4 F32 N56 O12 -","2","0.5","YP3121","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","A cadmium(II) coordination polymer formed from a third generation tetratopic tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","832","837","10.1107/S205322961600783X","","","0.71073","MoKα","","0.1128","0.0781","","","0.1646","0.1784","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","188954","2020-10-21","18:00:00",""
"2020629","17.0187","0.0005","9.7329","0.0002","25.7877","0.0008","90","","90","","90","","4271.5","0.2","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","","- C9 Br9 N6 O P -","- C9 Br9 N6 O P -","- C72 Br72 N48 O8 P8 -","8","2","YP3131","Nicolas, Emmanuel; Cheisson, Thibault; de Jong, G. Bas; Tazelaar, Cornelis G. J.; Slootweg, J. Chris","A new synthetic route to the electron-deficient ligand tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","Acta Crystallographica Section C","2016","72","11","846","849","10.1107/S2053229616015035","","","0.71069","MoKα","","0.093","0.07","","","0.1488","0.1655","","","","","","1.109","","","","has coordinates,has Fobs","188956","2020-10-21","18:00:00",""
"2020630","6.9686","0.0001","11.8758","0.0002","15.1008","0.0002","98.249","0.002","95.337","0.002","102.467","0.002","1197.63","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)gold","","- C29 H24 Au Cl N2 -","- C29 H24 Au Cl N2 -","- C58 H48 Au2 Cl2 N4 -","2","1","FA3393","Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge","The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)","Acta Crystallographica Section C","2016","72","11","857","860","10.1107/S2053229616015205","","","1.54184","CuKα","","0.0231","0.02","","","0.0469","0.0478","","","","","","1.074","","","","has coordinates,has Fobs","188957","2020-10-21","18:00:00",""
"2020631","7.0973","0.0002","15.3919","0.0003","45.4224","0.0006","87.896","0.002","87.876","0.002","89.871","0.002","4955.23","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bromido(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)gold","","- C29 H24 Au Br N2 -","- C29 H24 Au Br N2 -","- C232 H192 Au8 Br8 N16 -","8","4","FA3393","Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge","The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)","Acta Crystallographica Section C","2016","72","11","857","860","10.1107/S2053229616015205","","","1.54184","CuKα","","0.0791","0.0727","","","0.1478","0.1497","","","","","","1.303","","","","has coordinates,has Fobs","188957","2020-10-21","18:00:00",""
"2020632","8.234","0.004","11.872","0.009","14.212","0.007","104.37","0.03","94.85","0.1","96.85","0.08","1326.8","1.4","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetrakis(3-cyanophenyl)porphyrinatocopper(II) nitrobenzene trisolvate","","- C66 H39 Cu N11 O6 -","- C66 H39 Cu N11 O6 -","- C66 H39 Cu N11 O6 -","1","0.5","YP3128","Seidel, Rüdiger W.; Goddard, Richard; Mayer-Gall, Thomas; Oppel, Iris M.","A synchrotron study of [5,10,15,20-tetrakis(3-cyanophenyl)porphyrinato-κ^4^<i>N</i>^5^,<i>N</i>^10^,<i>N</i>^15^,<i>N</i>^20^]copper(II) nitrobenzene trisolvate at 80K","Acta Crystallographica Section C","2016","72","11","861","866","10.1107/S2053229616015515","","","0.56305","synchrotron","","0.0529","0.049","","","0.1273","0.1297","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","188939","2020-10-21","18:00:00",""
"2020633","7.9688","0.0005","12.5553","0.0008","32.4903","0.0018","90","","90","","90","","3250.7","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0574","0.0507","","","0.1341","0.1385","","","","","","1.102","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020634","6.192","0.0018","8.214","0.003","16.488","0.005","85.335","0.009","85.257","0.009","85.774","0.009","831.1","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0905","0.061","","","0.1671","0.1964","","","","","","1.062","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020637","8.0598","0.0007","12.3474","0.0013","13.4484","0.001","100.996","0.007","98.101","0.007","103.659","0.008","1252.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate monohydrate","","- C23 H19 Cl2 N5 O5 S2 -","- C23 H19 Cl2 N5 O5 S2 -","- C46 H38 Cl4 N10 O10 S4 -","2","1","","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms","Acta Crystallographica Section C","2016","72","11","910","916","10.1107/S2053229616016090","","","0.71073","MoKα","","0.0992","0.0574","","","0.138","0.1662","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","194474","2020-10-21","18:00:00",""
"2020638","8.5368","0.0004","12.31","0.0008","12.9348","0.0008","64.689","0.006","86.474","0.005","77.23","0.005","1197.57","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C23 H17 Cl2 N5 O4 S2 -","- C23 H17 Cl2 N5 O4 S2 -","- C46 H34 Cl4 N10 O8 S4 -","2","1","","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms","Acta Crystallographica Section C","2016","72","11","910","916","10.1107/S2053229616016090","","","0.71073","MoKα","","0.068","0.0452","","","0.1032","0.1178","","","","","","1.031","","","","has coordinates,has Fobs","188938","2020-10-21","18:00:00",""
"2020639","16.4815","0.0009","24.8758","0.0014","39.975","0.002","90","","90.0317","0.0019","90","","16389.4","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C840 H680 N40 O80 -","40","10","YF3109","Lifshits, Liubov M.; Singh, Varun; Zeller, Matthias; Klosterman, Jeremy K.","Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent molecules refined from a twinned crystal","Acta Crystallographica Section C","2016","72","11","901","909","10.1107/S2053229616015825","","","1.54178","CuKα","","0.1052","0.0893","","","0.2265","0.2392","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","188943","2020-10-21","18:00:00",""
"2020640","12.4659","0.0015","14.4336","0.0017","11.849","0.0015","90","","115.366","0.002","90","","1926.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)]","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","OV3080","Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun","Structure and third-order nonlinear optical properties of the two-dimensional Co^II^ coordination polymer [Co(1,2-BIB)(PA)]~<i>n~</i> {1,2-BIB is 1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene and H~2~PA is phthalic acid}","Acta Crystallographica Section C","2016","72","11","890","894","10.1107/S2053229616015928","","","0.71073","MoKα","","0.0469","0.0332","","","0.0802","0.0868","","","","","","1.024","","","","has coordinates,has Fobs","188947","2020-10-21","18:00:00",""
"2020641","14.7254","0.0003","5.8819","0.0001","21.151","0.0005","90","","99.321","0.001","90","","1807.77","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-<i>O</i>-Benzoyl-2-<i>O</i>-phenoxycarbonyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O9 -","- C21 H18 O9 -","- C84 H72 O36 -","4","1","LY3039","Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of <i>my</i>o-inositol-1,3,5-orthoformate-derived benzoates and carbonates","Acta Crystallographica Section C","2016","72","11","875","881","10.1107/S205322961601603X","","","0.71073","MoKα","","0.0442","0.0396","","","0.0985","0.1023","","","","","","1.029","","","","has coordinates,has Fobs","188950","2020-10-21","18:00:00",""
"2020642","14.5888","0.0007","6.044","0.0003","21.5364","0.0012","90","","100.216","0.002","90","","1868.86","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-<i>O</i>-Benzoyl-2-<i>O</i>-phenoxythiocarbonyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O8 S -","- C21 H18 O8 S -","- C84 H72 O32 S4 -","4","1","","Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of <i>my</i>o-inositol-1,3,5-orthoformate-derived benzoates and carbonates","Acta Crystallographica Section C","2016","72","11","875","881","10.1107/S205322961601603X","","","0.71073","MoKα","","0.091","0.0559","","","0.1071","0.1158","","","","","","1.044","","","","has coordinates,has Fobs","188950","2020-10-21","18:00:00",""
"2020643","7.835","0.003","8.105","0.003","15.881","0.004","97.03","0.03","90.21","0.03","90.15","0.03","1000.9","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-methyl-3-nitropyridinium hydrogen sulfate","","- C6 H9 N3 O6 S -","- C6 H9 N3 O6 S -","- C24 H36 N12 O24 S4 -","4","2","KU3189","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0832","0.0512","","","0.1169","0.1396","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","188951","2020-10-21","18:00:00",""
"2020644","10.557","0.004","13.632","0.004","12.211","0.004","90","","97.12","0.03","90","","1743.8","1","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-4-methyl-3-nitropyridinium) sulfate","","- C12 H16 N6 O8 S -","- C12 H16 N6 O8 S -","- C48 H64 N24 O32 S4 -","4","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0522","0.0408","","","0.1108","0.1203","","","","","","1.071","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020645","8.029","0.003","10.645","0.004","11.541","0.004","82.95","0.03","87.95","0.03","67.93","0.03","907.1","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-methylpyridinium hydrogen sulfate","","- C6 H10 N2 O4 S -","- C6 H10 N2 O4 S -","- C24 H40 N8 O16 S4 -","4","2","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0865","0.0482","","","0.1142","0.1386","","","","","","1.016","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020646","10.909","0.004","10.7","0.004","14.267","0.004","90","","110.34","0.03","90","","1561.5","1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-3-methylpyridinium) sulfate monohydrate","","- C12 H20 N4 O5 S -","- C12 H20 N4 O5 S -","- C48 H80 N16 O20 S4 -","4","1","KU3189","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0782","0.0452","","","0.0982","0.1155","","","","","","1.031","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020647","8.8547","0.0006","9.9689","0.0007","12.9721","0.001","97.005","0.001","97.885","0.001","90.929","0.001","1125.14","0.14","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","Poly[(ethane-1,2-diol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>'){μ~3~-1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}manganese(II)]","","- C20 H24 Mn N6 O6 S -","- C20 H24 Mn N6 O6 S -","- C40 H48 Mn2 N12 O12 S2 -","2","1","WQ3123","Lu, Xin-Hua; Zhong, Kai-Long","A new three-dimensional manganese(II) coordination polymer based on the 1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene ligand","Acta Crystallographica Section C","2016","72","11","895","900","10.1107/S2053229616015965","","","0.71073","MoKα","","0.0481","0.0368","","","0.0897","0.0962","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","188955","2020-10-21","18:00:00",""
"2020648","11.498","0.002","11.715","0.002","17.071","0.003","90","","90","","90","","2299.4","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dibromidozinc(II)","","- C20 H18 Br2 N10 Zn -","- C20 H18 Br2 N10 Zn -","- C80 H72 Br8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0519","0.0416","","","0.0781","0.0822","","","","","","1.124","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020649","11.729","0.002","11.853","0.002","17.563","0.004","90","","90","","90","","2441.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}diiodidozinc(II)","","- C20 H18 I2 N10 Zn -","- C20 H18 I2 N10 Zn -","- C80 H72 I8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0362","0.0322","","","0.0618","0.0638","","","","","","1.143","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020653","12.3897","0.0003","8.794","0.0003","17.1791","0.0006","90","","108.369","0.003","90","","1776.38","0.1","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4'-(Isoquinolin-4-yl)-2,2':6',2''-terpyridine","","- C24 H16 N4 -","- C24 H16 N4 -","- C96 H64 N16 -","4","1","WQ3124","Granifo, Juan; Arévalo, Beatriz; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural and theoretical characterization of a new twisted 4'-substituted terpyridine compound: 4'-(isoquinolin-4-yl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2016","72","12","932","938","10.1107/S2053229616016533","","","0.71073","MoKα","","0.0663","0.0443","","","0.1056","0.1228","","","","","","1.023","","","","has coordinates,has Fobs","189967","2020-10-21","18:00:00",""
"2020654","10.8873","0.0012","11.4736","0.0012","13.4521","0.0015","87.806","0.003","88.438","0.003","69.247","0.003","1570","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>^1^)diaquabis{<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxamide-κ<i>N</i>}cadmium(II)‒<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxamide‒water (1/1/4)","","- C56 H66 Cd N14 O22 S2 -","- C56 H66 Cd N14 O22 S2 -","- C56 H66 Cd N14 O22 S2 -","1","0.5","YF3111","Yuan, Gan-Yin; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis and characterization of a cadmium(II)‒organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand","Acta Crystallographica Section C","2016","72","12","939","946","10.1107/S2053229616016326","","","0.71073","MoKα","","0.0377","0.0305","","","0.0754","0.0792","","","","","","0.948","","","","has coordinates,has Fobs","189968","2020-10-21","18:00:00",""
"2020655","36.3376","0.0018","9.6778","0.0003","9.4818","0.0005","90","","93.86","0.004","90","","3326.9","0.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>}bis(μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>')silver(I)","","- C34 H28 Ag2 Cl4 N4 O4 -","- C34 H28 Ag2 Cl4 N4 O4 -","- C136 H112 Ag8 Cl16 N16 O16 -","4","0.5","LF3042","Hamamci Alisir, Sevim; Dege, Necmi","A new antibacterial silver(I) complex incorporating 2,5-dimethylpyrazine and the anti-inflammatory diclofenac","Acta Crystallographica Section C","2016","72","12","947","951","10.1107/S2053229616017009","","","0.71073","MoKα","","0.0475","0.0331","","","0.078","0.0817","","","","","","0.93","","","","has coordinates,has Fobs","189971","2020-10-21","18:00:00",""
"2020656","8.766","0.0003","12.2655","0.0004","16.4903","0.0006","90","","90","","90","","1773.03","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane","","- C20 H6 I2 N4 -","- C20 H6 I2 N4 -","- C80 H24 I8 N16 -","4","1","YO3023","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0197","0.0189","","","0.0447","0.045","","","","","","1.167","","","","has coordinates,has Fobs","189972","2020-10-21","18:00:00",""
"2020657","13.7727","0.0009","8.5843","0.0005","20.5752","0.0013","90","","105.115","0.003","90","","2348.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒anthracene (2/1)","","- C27 H11 I2 N4 -","- C27 H11 I2 N4 -","- C108 H44 I8 N16 -","4","1","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0357","0.0277","","","0.0687","0.0734","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","189972","2020-10-21","18:00:00",""
"2020658","8.7758","0.0013","12.0214","0.0017","13.3155","0.0019","66.461","0.007","74.489","0.007","74.462","0.007","1220.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒pyrene (2/1)","","- C28 H11 I2 N4 -","- C28 H11 I2 N4 -","- C56 H22 I4 N8 -","2","1","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0404","0.0333","","","0.0804","0.0852","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","189972","2020-10-21","18:00:00",""
"2020659","8.615","0.002","11.631","0.003","12.45","0.003","80.247","0.009","74.695","0.009","70.392","0.008","1129","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒tetrathiafulvalene (2/1)","","- C46 H16 I4 N8 S4 -","- C46 H16 I4 N8 S4 -","- C46 H16 I4 N8 S4 -","1","0.5","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0442","0.0406","","","0.1012","0.1036","","","","","","1.036","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2020660","14.8441","0.0012","13.2872","0.0011","21.0311","0.0015","90","","105.191","0.003","90","","4003.2","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenolate 2,4-dichlorophenol tetrahydrofuran disolvate","","- C34 H50 Cl6 N2 O5 -","- C34 H50 Cl6 N2 O5 -","- C136 H200 Cl24 N8 O20 -","4","0.5","KY3103","Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min","The hydrogen-bonded complex bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral <i>R</i>~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon","Acta Crystallographica Section C","2016","72","10","720","723","10.1107/S2053229616013577","","","0.71073","MoKα","","0.0735","0.0601","","","0.1577","0.1611","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","187986","2020-10-21","18:00:00",""
"2020663","13.4679","0.0004","7.6319","0.0002","19.1397","0.0006","90","","90.24","0.001","90","","1967.27","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trihydroxonium enneabromidodiantimonate(III)","","- Br9 H9 O3 Sb2 -","- Br9 H9 O3 Sb2 -","- Br36 H36 O12 Sb8 -","4","1","YO3024","Chang, Jen-Hui; Doert, Thomas; Ruck, Michael","(H~3~O)~3~Sb~2~Br~9~: the first member of the <i>M</i>~3~<i>E</i>~2~<i>X</i>~9~ structure family with oxonium cations","Acta Crystallographica Section C","2016","72","12","966","970","10.1107/S2053229616017198","","","0.71073","MoKα","","0.0391","0.0256","","","0.0542","0.058","","","","","","1.017","","","","has coordinates,has Fobs","189966","2020-10-21","18:00:00",""
"2020664","9.713","0.002","10.334","0.002","14.717","0.003","96.909","0.006","101.43","0.007","110.323","0.006","1328.7","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","Poly[bis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)tris(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)(cyanido-κ<i>C</i>)disilver(I)zinc(II)]","","- C24 H20 Ag2 N8 Zn -","- C24 H20 Ag2 N8 Zn -","- C48 H40 Ag4 N16 Zn2 -","2","1","UK3130","Krinchampa, Pattiya; Chainok, Kittipong; Phengthaisong, Siriporn; Youngme, Sujittra; Kielar, Filip; Wannarit, Nanthawat","A novel one-dimensional double-chain-like Zn^II^ coordination polymer: poly[bis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)tris(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)(cyanido-κ<i>C</i>)disilver(I)zinc(II)]","Acta Crystallographica Section C","2016","72","12","960","965","10.1107/S2053229616017502","","","0.71073","MoKα,0.71073","","0.0342","0.0266","","","0.0689","0.0721","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","189970","2020-10-21","18:00:00",""
"2020665","30.904","0.005","9.3351","0.0016","14.353","0.002","90","","90.222","0.003","90","","4140.7","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0681","0.06","","","0.1535","0.16","","","","","","1.048","","","","has coordinates,has Fobs","189969","2020-10-21","18:00:00",""
"2020666","30.92","0.003","9.3363","0.0009","14.3462","0.0014","90","","90.314","0.002","90","","4141.4","0.7","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.086","0.0662","","","0.1766","0.1967","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020667","30.975","0.002","9.3542","0.0007","14.3524","0.001","90","","90.149","0.0014","90","","4158.5","0.5","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0733","0.054","","","0.1345","0.1508","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020668","30.9991","0.0017","9.3611","0.0005","14.3546","0.0008","90","","90.0906","0.0012","90","","4165.5","0.4","163","0.1","163","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0743","0.0529","","","0.1326","0.1502","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020669","31.0071","0.0016","9.3634","0.0005","14.3544","0.0007","90","","90.0656","0.001","90","","4167.5","0.4","164","0.1","164","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0775","0.0542","","","0.1284","0.1458","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020670","31.0109","0.0019","9.3651","0.0006","14.3551","0.0009","90","","90","","90","","4169","0.5","165","0.1","165","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0812","0.06","","","0.1499","0.1667","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020671","31.0133","0.0015","9.3657","0.0005","14.354","0.0007","90","","90","","90","","4169.3","0.4","166","0.1","166","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0775","0.0616","","","0.1447","0.1588","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020672","31.0259","0.0015","9.3706","0.0004","14.3567","0.0007","90","","90","","90","","4173.9","0.3","170","0.1","170","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0771","0.0609","","","0.1458","0.1613","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020673","31.3604","0.0017","9.5095","0.0005","14.4182","0.0008","90","","90","","90","","4299.8","0.4","300","0.1","300","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0825","0.0693","","","0.198","0.2189","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020674","14.113","0.0002","12.2433","0.0002","18.8793","0.0002","90","","105.68","0.001","90","","3140.75","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trimethylazanium 2-[(2-carboxyphenyl)disulfanyl]benzoate 2,2'-(disulfanediyl)dibenzoic acid monosolvate","","- C31 H29 N O8 S4 -","- C31 H29 N O8 S4 -","- C124 H116 N4 O32 S16 -","4","1","YO3027","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.0644","0.0505","","","0.1368","0.148","","","","","","1.04","","","","has coordinates,has Fobs","189973","2020-10-21","18:00:00",""
"2020675","31.7088","0.001","11.5254","0.0003","23.2263","0.0008","90","","123.43","0.003","90","","7083.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(trimethylazanium) bis{2-[(2-carboxyphenyl)disulfanyl]benzoate} 2,2'-(disulfanediyl)dibenzoate 2,2'-(disulfanediyl)dibenzoic acid monosolvate","","- C68 H76 N4 O16 S8 -","- C68 H76 N4 O16 S8 -","- C272 H304 N16 O64 S32 -","4","0.5","","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.0842","0.0564","","","0.1665","0.1977","","","","","","1.282","","","","has coordinates,has Fobs","189973","2020-10-21","18:00:00",""
"2020676","13.5363","0.0004","12.1071","0.0003","22.1248","0.0006","90","","96.532","0.002","90","","3602.39","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethylazanium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C17 H19 N O4 S2 -","- C17 H19 N O4 S2 -","- C136 H152 N8 O32 S16 -","8","1","","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.07","0.0423","","","0.1003","0.1142","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","189973","2020-10-21","18:00:00",""
"2020677","10.4898","0.0011","11.3067","0.0012","12.737","0.0013","76.033","0.001","66.454","0.001","81.772","0.001","1342.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-2-[(2,6-diisopropylphenyl)iminomethyl]phenolato}-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(hexamethyldisilazido-κ<i>N</i>)magnesium(II)]","","- C50 H80 Mg2 N4 O2 Si4 -","- C50 H80 Mg2 N4 O2 Si4 -","- C50 H80 Mg2 N4 O2 Si4 -","1","0.5","QS3059","Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.","Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes","Acta Crystallographica Section C","2016","72","12","990","996","10.1107/S2053229616018593","","","0.71073","MoKα","","0.035","0.0306","","","0.0997","0.1026","","","","","","1.588","","","","has coordinates,has Fobs","189964","2020-10-21","18:00:00",""
"2020678","31.633","0.004","13.4541","0.0015","17.467","0.003","90","","122.934","0.003","90","","6239.2","1.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{2,4-Di-<i>tert-butyl</i>-6-[(2,6-diisopropylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis(pyridine-κ<i>N</i>)magnesium(II) toluene monosolvate","","- C69 H91 Mg N5 O2 -","- C69 H91 Mg N5 O2 -","- C276 H364 Mg4 N20 O8 -","4","0.5","","Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.","Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes","Acta Crystallographica Section C","2016","72","12","990","996","10.1107/S2053229616018593","","","0.71073","MoKα","","0.0835","0.0524","","","0.1176","0.1361","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","189964","2020-10-21","18:00:00",""
"2020679","17.0284","0.001","7.8695","0.0003","22.0555","0.0015","90","","126.512","0.004","90","","2375.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Furosemide <i>N</i>,<i>N</i>-dimethylacetamide disolvate","4-Chloro-2-[(furan-2-yl)methylamino]-5-sulfamoylbenzoic acid <i>N</i>,<i>N</i>-dimethylacetamide disolvate","","- C20 H29 Cl N4 O7 S -","- C20 H29 Cl N4 O7 S -","- C80 H116 Cl4 N16 O28 S4 -","4","1","SK3641","Beloborodova, Alina A.; Minkov, Vasily S.; Boldyreva, Elena V.","A new solvate of furosemide with dimethylacetamide","Acta Crystallographica Section C","2016","72","12","997","1001","10.1107/S2053229616018398","","","0.71073","MoKα","","0.0605","0.0364","","","0.082","0.0889","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","189965","2020-10-21","18:00:00",""
"2020680","13.861","0.003","10.521","0.002","18.634","0.004","90","","90","","90","","2717.4","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[bis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole-κ<i>N</i>^3^}zinc(II)]-μ-hexane-1,6-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C24 H26 N12 O5 Zn -","- C24 H26 N12 O5 Zn -","- C96 H104 N48 O20 Zn4 -","4","0.5","","Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole and adipate","Acta Crystallographica Section C","2016","72","12","1002","1006","10.1107/S205322961601874X","","","0.71073","MoKα","","0.0563","0.0524","","","0.1211","0.1234","","","","","","1.267","","","","has coordinates,has Fobs","188788","2020-10-21","18:00:00",""
"2020681","7.8651","0.0003","9.2595","0.0003","14.7958","0.0005","90","","101.151","0.001","90","","1057.19","0.06","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium iodide","","- C8 H9 F3 I N O -","- C8 H9 F3 I N O -","- C32 H36 F12 I4 N4 O4 -","4","1","KU3190","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0125","0.0124","","","0.0279","0.0279","","","","","","1.213","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2020682","9.2236","0.0003","13.5704","0.0005","15.86","0.0005","90","","90","","90","","1985.16","0.12","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium chloride","","- C8 H9 Cl F3 N O -","- C8 H9 Cl F3 N O -","- C64 H72 Cl8 F24 N8 O8 -","8","1","","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0309","0.0249","","","0.0592","0.0636","","","","","","1.049","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2020684","8.7561","0.0005","9.0016","0.0005","12.8869","0.0007","90","","90","","90","","1015.73","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-iodoimidazole","1-Benzyl-2-iodo-1<i>H</i>-imidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","KU3188","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0132","0.0129","","","0.0299","0.03","","","","","","1.051","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020685","8.4574","0.0005","6.1526","0.0003","19.4261","0.001","90","","96.362","0.001","90","","1004.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-4-iodobenzimidazole","1-Benzyl-4-iodo-1<i>H</i>-benzimidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0172","0.0161","","","0.0363","0.0367","","","","","","1.106","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020686","6.4606","0.0008","8.2346","0.001","12.3451","0.0014","108.064","0.001","94.174","0.002","95.366","0.002","618.05","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2-iodobenzimidazole","1-Benzyl-2-iodo-1<i>H</i>-benzimidazole","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C28 H22 I2 N4 -","2","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0159","0.0154","","","0.0386","0.0389","","","","","","1.09","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020687","30.5388","0.0009","8.0984","0.0002","15.081","0.0004","90","","90","","90","","3729.76","0.17","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C136 H152 N40 O16 S8 -","8","2","WQ3116","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0854","0.0472","","","0.091","0.1045","","","","","","1","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020688","9.692","0.0002","25.1673","0.0006","7.9853","0.0002","90","","90","","90","","1947.79","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C18 H21 N5 O2 S -","- C18 H21 N5 O2 S -","- C72 H84 N20 O8 S4 -","4","1","","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0406","0.0366","","","0.0987","0.1021","","","","","","1.03","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020689","8.843","0.003","17.485","0.005","5.041","0.003","90","","90","","90","","779.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0492","0.042","","","0.0994","0.1045","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020690","7.235","0.003","7.548","0.003","10.297","0.004","105.42","0.03","98.15","0.03","112.43","0.03","482","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[nitratocopper(I)]","","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0466","0.0343","","","0.0903","0.0956","","","","","","1.056","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020691","7.754","0.003","7.965","0.003","10.372","0.004","67.57","0.03","89.99","0.03","61.07","0.03","504.6","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[(tetrafluoroborato)copper(I)]","","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0269","0.0223","","","0.0604","0.0614","","","","","","1.065","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020692","7.379","0.003","18.78","0.005","14.702","0.004","90","","94.82","0.03","90","","2030.2","1.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Aqua-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}bis[nitratocopper(I)]","","- C10 H16 Cu2 N8 O7 S4 -","- C10 H16 Cu2 N8 O7 S4 -","- C40 H64 Cu8 N32 O28 S16 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.075","0.0452","","","0.0975","0.1145","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020693","11.899","0.004","11.442","0.004","17.678","0.005","90","","102.04","0.03","90","","2353.9","1.3","260","2","260.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate","","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C44 H78 Cu8 F24 N26 O12 S16 Si4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0633","0.0369","","","0.0828","0.0869","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020694","14.944","0.004","16.587","0.005","14.658","0.004","90","","117.91","0.03","90","","3210.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Benzenesulfonato-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) benzenesulfonate methanol monosolvate monohydrate","","- C23 H30 Cu2 N6 O8 S6 -","- C23 H30 Cu2 N6 O8 S6 -","- C92 H120 Cu8 N24 O32 S24 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","1.54184","CuKα","","0.0631","0.0573","","","0.1596","0.1661","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020695","11.4261","0.0005","8.1847","0.0003","16.8243","0.0006","90","","93.067","0.002","90","","1571.14","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-11-methyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0299","0.0289","","","0.0781","0.0788","","","","","","1.046","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020696","18.1021","0.0012","12.4436","0.0008","14.8429","0.0009","90","","97.645","0.003","90","","3313.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-7,12-dimethyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C20 H21 N O S -","- C20 H21 N O S -","- C160 H168 N8 O8 S8 -","8","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0957","0.0601","","","0.1438","0.168","","","","","","1.047","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020697","6.8533","0.0016","10.612","0.005","13.561","0.003","72.45","0.04","75.84","0.019","82.46","0.02","910","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 Cl N O3 -","- C22 H20 Cl N O3 -","- C44 H40 Cl2 N2 O6 -","2","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.1365","0.0651","","","0.0973","0.1181","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","191423","2020-10-21","18:00:00",""
"2020698","39.3876","0.0019","9.6153","0.0008","29.5299","0.0016","90","","130.719","0.007","90","","8476.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]","","- C45 H52 N4 O9 Ru -","- C45 H52 N4 O9 Ru -","- C360 H416 N32 O72 Ru8 -","8","1","FA3396","Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study","Acta Crystallographica Section C","2017","73","1","47","51","10.1107/S2053229616019422","powder diffraction","","0.399927","synchrotron","","","","","","","","","","3.0929","","","","","","","has coordinates,has Fobs","191422","2020-10-21","18:00:00",""
"2020699","6.545","0.0004","9.3526","0.0006","12.782","0.0008","94.047","0.005","93.143","0.005","95.735","0.005","775.05","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(3,4-Dimethoxyphenyl)carbamothioyl]benzamide","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.109","0.0709","","","0.1693","0.2094","","","","","","1.039","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020700","22.415","0.0017","8.1479","0.0005","13.4592","0.0009","90","","102.618","0.007","90","","2398.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxypropyl)carbamothioyl]benzamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","2","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.1103","0.0657","","","0.1783","0.22","","","","","","1.037","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020701","8.437","0.0002","23.5403","0.0004","10.3281","0.0002","90","","98.1871","0.0007","90","","2030.35","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(Butylamino)(diethoxyphosphoryl)methyl]phenyl}boronic acid monohydrate","","- C15 H29 B N O6 P -","- C15 H29 B N O6 P -","- C60 H116 B4 N4 O24 P4 -","4","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.0733","0.067","","","0.1646","0.1715","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020702","10.259","0.0008","14.5721","0.0014","27.577","0.003","90","","90","","90","","4122.6","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4-[(Diethoxyphosphoryl)(4-nitroanilino)methyl]phenyl}boronic acid","","- C17 H22 B N2 O7 P -","- C17 H22 B N2 O7 P -","- C136 H176 B8 N16 O56 P8 -","8","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.117","0.0599","","","0.1424","0.1968","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020704","29.525","0.002","4.94","0.0008","25.663","0.0011","90","","117.225","0.001","90","","3328.4","0.6","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","","- C38 H47 N5 Pd -","- C38 H47 N5 Pd -","- C152 H188 N20 Pd4 -","4","0.5","CU3109","Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.","Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","Acta Crystallographica Section C","2017","73","2","68","71","10.1107/S2053229616020465","","","1.54186","CuKα","","0.0835","0.0632","","","0.1662","0.1828","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2020705","9.4371","0.0011","18.909","0.002","14.4981","0.0015","90","","104.162","0.002","90","","2508.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-1,1'-biphenyl-2,2',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dizinc(II)]","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C112 H64 N16 O32 Zn8 -","4","0.5","EG3213","Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun","A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence","Acta Crystallographica Section C","2017","73","2","72","77","10.1107/S2053229617000213","","","0.71073","MoKα","","0.0498","0.0347","","","0.0868","0.0952","","","","","","1.003","","","","has coordinates,has Fobs","193977","2020-10-21","18:00:00",""
"2020706","12.8212","0.0005","10.5085","0.0004","10.6608","0.0005","90","","90","","90","","1436.35","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Hydroxybenzoyl)carbonohydrazonodithioate","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","FN3226","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0293","0.0291","","","0.0809","0.0814","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","193974","2020-10-21","18:00:00",""
"2020707","13.2762","0.0002","12.6138","0.0002","10.1742","0.0002","90","","108.597","0.0009","90","","1614.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Benzyl methyl (2-hydroxybenzoyl)carbonohydrazonodithioate","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0366","0.0354","","","0.102","0.1043","","","","","","1.051","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020708","8.795","0.0018","10.254","0.002","14.044","0.003","74.95","0.03","76.74","0.03","88.99","0.03","1189.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl (2-hydroxybenzoyl)carbonohydrazonodithioate propan-2-ol monosolvate","","- C25 H28 N2 O3 S2 -","- C25 H28 N2 O3 S2 -","- C50 H56 N4 O6 S4 -","2","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0339","0.0334","","","0.1272","0.1277","","","","","","1.756","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020709","9.491","0.0012","18.7233","0.0013","11.9855","0.0017","90","","101.315","0.003","90","","2088.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C22 H26 N4 O4 Zn -","- C22 H26 N4 O4 Zn -","- C88 H104 N16 O16 Zn4 -","4","1","FM3047","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.0635","0.0533","","","0.1023","0.1035","","","","","","1.043","","","","has coordinates","193976","2020-10-21","18:00:00",""
"2020710","11.1005","0.0017","17.486","0.003","16.372","0.002","90","","95.625","0.002","90","","3162.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]","","- C31 H32 N4 O8 Zn2 -","- C31 H32 N4 O8 Zn2 -","- C124 H128 N16 O32 Zn8 -","4","1","","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.063","0.0343","","","0.0742","0.0862","","","","","","1.003","","","","has coordinates,has disorder","193976","2020-10-21","18:00:00",""
"2020713","10.174","0.002","12.538","0.003","13.665","0.003","63.45","0.03","77.06","0.03","73.02","0.03","1482.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C28 H28 Cu N10 O7 -","- C28 H28 Cu N10 O7 -","- C56 H56 Cu2 N20 O14 -","2","1","","Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying","A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2017","73","2","91","96","10.1107/S2053229617000997","","","0.71073","MoKα","","0.0789","0.0598","","","0.1352","0.148","","","","","","1.033","","","","has coordinates,has Fobs","193973","2020-10-21","18:00:00",""
"2020714","9.488","0.002","12.816","0.004","6.097","0.002","90","","107.11","0.01","90","","708.6","0.4","","","4.3","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cr D20 N2 O14 S2 -","- Cr D20 N2 O14 S2 -","- Cr2 D40 N4 O28 S4 -","2","0.5","","Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce","The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction","Acta Crystallographica Section C","1991","47","","419","421","10.1107/S0108270190007776","","neutron","1.176","","","","0.023","","","0.029","","","","","","","","","","","has coordinates","191940","2020-10-21","18:00:00",""
"2020715","17.4366","0.0004","22.7127","0.0005","8.8598","0.0002","90","","90","","90","","3508.77","0.14","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzyl-<i>P</i>-phenyl-<i>N</i>'-(<i>p</i>-tolyl)phosphonic diamide","","- C20 H21 N2 O P -","- C20 H21 N2 O P -","- C160 H168 N16 O8 P8 -","8","2","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0425","0.0355","","","0.084","0.0885","","","","","","1.025","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020716","18.7952","0.0003","18.7952","0.0003","8.5279","0.0003","90","","90","","90","","3012.56","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Diphenylphosphinic 1-methylpropylamide","","- C16 H20 N O P -","- C16 H20 N O P -","- C128 H160 N8 O8 P8 -","8","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0588","0.0543","","","0.1412","0.1462","","","","","","1.091","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020717","5.3629","0.0001","13.726","0.0003","27.8653","0.0006","90","","90","","90","","2051.2","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Phenylethylammonium <i>N</i>-[(<i>S</i>)-1-phenylethyl]phenylphosphonamidate","","- C22 H27 N2 O2 P -","- C22 H27 N2 O2 P -","- C88 H108 N8 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0336","0.0305","","","0.0743","0.0764","","","","","","1.045","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020718","6.0483","0.0001","18.854","0.0005","15.4364","0.0005","90","","97.231","0.001","90","","1746.28","0.08","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylbenzyl ammonium diphenylphosphinate","(4-Methylbenzyl)ammonium diphenylphosphinate","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0592","0.0413","","","0.0905","0.1007","","","","","","1.084","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020719","13.0725","0.0007","12.3992","0.0006","30.0047","0.0016","90","","99.734","0.005","90","","4793.4","0.4","99.97","0.18","99.97","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphane-κ<i>P</i>)[<i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(I) hexafluorophosphate","","- C54 H45 Cu F6 N5 P3 -","- C54 H45 Cu F6 N5 P3 -","- C216 H180 Cu4 F24 N20 P12 -","4","1","WQ3130","Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.","Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617002522","","","0.71073","MoKα","","0.0628","0.0498","","","0.1174","0.1272","","","","","","1.038","","","","has coordinates,has Fobs","192430","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020721","5.4468","0.0002","11.4102","0.0004","34.3009","0.0009","90","","90","","90","","2131.77","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 Cl F3 N3 O2 S -","- C21 H19 Cl F3 N3 O2 S -","- C84 H76 Cl4 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0649","0.0392","","","0.0812","0.0931","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","192748","2020-10-21","18:00:00",""
"2020722","13.8408","0.001","8.7145","0.0006","18.0898","0.0013","90","","106.47","0.002","90","","2092.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(3-methylphenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C22 H22 F3 N3 O2 S -","- C22 H22 F3 N3 O2 S -","- C88 H88 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0809","0.0437","","","0.0945","0.1118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","211400","2020-10-21","18:00:00",""
"2020723","7.6678","0.0004","11.5007","0.0005","15.7874","0.0008","96.249","0.003","96.752","0.003","90.796","0.003","1373.84","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 F O -","- C19 H13 F O -","- C76 H52 F4 O4 -","4","2","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1353","0.1821","","","","","","1.055","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020724","5.8714","0.0005","7.8616","0.0007","15.5954","0.0013","95.007","0.005","90.218","0.005","92.179","0.005","716.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 Br O -","- C19 H13 Br O -","- C38 H26 Br2 O2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1039","0.0489","","","0.0705","0.0822","","","","","","1.051","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020725","5.8271","0.0003","7.4489","0.0004","15.2068","0.0009","79.745","0.003","84.427","0.003","85.763","0.003","645.36","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Naphthalen-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C17 H12 O S -","- C17 H12 O S -","- C34 H24 O2 S2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.0727","0.0575","","","0.1322","0.1404","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","193921","2020-10-21","18:00:00",""
"2020726","7.7669","0.0006","9.1516","0.0006","12.4114","0.0009","99.665","0.003","104.29","0.003","93.968","0.003","837.1","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Cobalt complex, 1","Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)]","","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","1","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0277","0.0214","","","0.0506","0.0528","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","193922","2020-10-21","18:00:00",""
"2020727","16.5619","0.0009","9.4778","0.0005","15.6842","0.0009","90","","116.411","0.002","90","","2205","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cobalt complex 2","<i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]","","- C12 H32 Cl4 Co2 O4 -","- C12 H32 Cl4 Co2 O4 -","- C48 H128 Cl16 Co8 O16 -","4","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0349","0.0266","","","0.07","0.073","","","","","","1.078","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020728","14.733","0.003","9.6318","0.0017","15.993","0.004","90","","93.737","0.008","90","","2264.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt complex 3","Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II)","","- C16 H32 Cl4 Co2 O4 -","- C16 H32 Cl4 Co2 O4 -","- C64 H128 Cl16 Co8 O16 -","4","1","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.1222","0.058","","","0.1182","0.1328","","","","","","0.936","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020729","10.9626","0.0005","10.2601","0.0004","8.7673","0.0004","90","","91.421","0.002","90","","985.82","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediaminium 2,2'-thiodiacetate","","- C6 H14 N2 O4 S -","- C6 H14 N2 O4 S -","- C24 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0311","0.0262","","","0.0655","0.0705","","","","","","1.057","","","","has coordinates,has Fobs","193923","2020-10-21","18:00:00",""
"2020730","4.9006","0.0004","12.9808","0.001","18.9837","0.0015","90","","92.978","0.008","90","","1205.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 2-(carboxymethylsulfanyl)acetate","","- C10 H14 N2 O4 S -","- C10 H14 N2 O4 S -","- C40 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0889","0.0457","","","0.0808","0.0992","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","193923","2020-10-21","18:00:00",""
"2020731","14.1632","0.0004","14.1632","0.0004","14.1632","0.0004","90","","90","","90","","2841.08","0.14","200","2","200","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cd23 Ce6 Te -","- Cd23 Ce6 Te -","- Cd92 Ce24 Te4 -","4","0.0208333","FN3229","Desroches, Griffen; Bobev, Svilen","Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)","Acta Crystallographica Section C","2017","73","2","121","125","10.1107/S2053229617001243","","","0.71073","MoKα","","0.0214","0.0189","","","0.0417","0.0423","","","","","","1.164","","","","has coordinates,has Fobs","193924","2020-10-21","18:00:00",""
"2020732","12.98","0.003","12.98","0.003","29.734","0.006","90","","90","","90","","5009.6","1.9","293","","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate","","- C25.5 H28 N2 O7 S -","- C25.5 H28 N2 O7 S -","- C204 H224 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1815","0.0985","","","0.1824","0.2244","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020733","13.171","0.003","13.171","0.003","29.524","0.006","90","","90","","90","","5122","2","293.15","","293.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate","","- C23 H26 Cl2 N2 O7 S -","- C23 H26 Cl2 N2 O7 S -","- C184 H208 Cl16 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1072","0.0571","","","0.1132","0.1347","","","","","","0.998","","","","has coordinates,has Fobs","194035","2020-10-21","18:00:00",""
"2020734","13.0307","0.0018","13.0307","0.0018","29.754","0.006","90","","90","","90","","5052.2","1.4","293.15","","293.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate","","- C24 H28 N2 O8 S -","- C24 H28 N2 O8 S -","- C192 H224 N16 O64 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.104","0.0576","","","0.1208","0.1431","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020735","11.756","0.002","11.764","0.002","17.407","0.004","90","","90","","90","","2407.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}dibromidomercury(II)","","- C20 H18 Br2 Hg N10 -","- C20 H18 Br2 Hg N10 -","- C80 H72 Br8 Hg4 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0557","0.0421","","","0.0803","0.0858","","","","","","1.178","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020736","12.103","0.002","11.827","0.002","17.862","0.004","90","","90","","90","","2556.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)","","- C20 H18 Hg I2 N10 -","- C20 H18 Hg I2 N10 -","- C80 H72 Hg4 I8 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0526","0.048","","","0.0842","0.0862","","","","","","1.28","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020737","8.3617","0.0008","8.7261","0.0008","8.859","0.0008","104.451","0.001","94.187","0.001","112.344","0.001","568.69","0.09","215","2","215","2","","","","","","","","4","P 1","P 1","1","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C30 H18 N4 S -","1","1","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0385","0.0367","","","0.0947","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","196536","2020-10-21","18:00:00",""
"2020738","28.338","0.003","12.9466","0.0012","26.799","0.003","90","","113.336","0.001","90","","9027.8","1.6","215","2","215","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole 0.125-hydrate","","- C30 H18.25 N4 O0.12 S -","- C30 H18.25 N4 O0.125 S -","- C480 H292 N64 O2 S16 -","16","2","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0599","0.0479","","","0.1239","0.1332","","","","","","1.018","","","","has coordinates","196536","2020-10-21","18:00:00",""
"2020740","16.6534","0.0008","7.4129","0.0003","7.6073","0.0004","90","","97.795","0.004","90","","930.44","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-aminophenylarsonic acid hydrochloride","4-Arsonoanilinium chloride","","- C6 H9 As Cl N O3 -","- C6 H9 As Cl N O3 -","- C24 H36 As4 Cl4 N4 O12 -","4","1","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0342","0.0283","","","0.0655","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020741","15.0784","0.0006","11.2302","0.0004","8.6756","0.0004","90","","99.305","0.004","90","","1449.74","0.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","copper(II) sulfate <i>p</i>-arsanilate dihydrate","Hexaaquacopper(II) bis(4-arsonoanilinium) disulfate dihydrate","","- C12 H34 As2 Cu N2 O22 S2 -","- C12 H34 As2 Cu N2 O22 S2 -","- C24 H68 As4 Cu2 N4 O44 S4 -","2","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0334","0.0274","","","0.063","0.0658","","","","","","1.054","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020745","4.7874","0.0004","8.2086","0.0006","27.2894","0.0018","90","","92.803","0.004","90","","1071.13","0.14","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium chloride","","- C9 H10 Cl F4 N O -","- C9 H10 Cl F4 N O -","- C36 H40 Cl4 F16 N4 O4 -","4","1","KU3194","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0401","0.0308","","","0.0674","0.0713","","","","","","1.051","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020746","4.7977","0.0003","8.3123","0.0006","27.739","0.002","90","","92.646","0.003","90","","1105.05","0.13","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium bromide","","- C9 H10 Br F4 N O -","- C9 H10 Br F4 N O -","- C36 H40 Br4 F16 N4 O4 -","4","1","","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0269","0.0209","","","0.0449","0.0469","","","","","","1.034","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020747","4.717","0.0007","4.717","0.0007","17.077","0.003","90","","90","","120","","329.06","0.09","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nonalithium tetraaluminium pentastannide","","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","1","0.0833333","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut","Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700420X","","","0.71073","MoKα","","0.0243","0.0205","","","0.0644","0.0663","","","","","","1.103","","","","has coordinates,has Fobs","194406","2020-10-21","18:00:00",""
"2020748","15.008","0.003","11.798","0.003","9.0384","0.0019","90","","106.756","0.002","90","","1532.4","0.6","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonylchlorido[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C15 H8 Cl Mn N2 O3 S -","- C15 H8 Cl Mn N2 O3 S -","- C60 H32 Cl4 Mn4 N8 O12 S4 -","4","1","SK3653","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.1304","0.0652","","","0.1625","0.1962","","","","","","1.039","","","","has coordinates,has Fobs","194472","2020-10-21","18:00:00",""
"2020749","9.1239","0.0005","16.4292","0.0009","12.2101","0.0006","90","","96.737","0.001","90","","1817.64","0.17","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C19 H10 Cl Mn N2 O3 S -","- C19 H10 Cl Mn N2 O3 S -","- C76 H40 Cl4 Mn4 N8 O12 S4 -","4","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.0597","0.0383","","","0.0829","0.0932","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","194472","2020-10-21","18:00:00",""
"2020750","13.398","0.008","7.739","0.003","11.68","0.004","90","","90","","90","","1211.1","1","","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F6 H8 N2 Zr -","- F6 N2 Zr -","- F48 N16 Zr8 -","8","2","","A. Zalkin; D. Eimerl; S. P. Velsko","Diammonium hexafluorozirconate","Acta Crystallographica, Section C","1988","44","","2050","2051","10.1107/S0108270188008303","","x-ray","0.71073","MoKα","","0.035","0.026","","","","0.034","","","","","","1.1","","","","has coordinates","195550","2020-10-21","18:00:00",""
"2020757","8.2864","0.0008","17.0679","0.0016","13.9733","0.0014","90","","90.735","0.004","90","","1976.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)cobalt(II) chloride dihydrate","","- C14 H36 Cl2 Co N4 O2 -","- C14 H36 Cl2 Co N4 O2 -","- C56 H144 Cl8 Co4 N16 O8 -","4","1","YP3138","Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.","Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010397","","","0.71073","MoKα","","0.0498","0.0321","","","0.061","0.0655","","","","","","1.037","","","","has coordinates,has Fobs","198885","2020-10-21","18:00:00",""
"2020758","6.5592","0.0001","9.1328","0.0002","13.7163","0.0003","90","","93.9","0.002","90","","819.76","0.03","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-bis[(<i>R</i>)-mandelato]borato-lithium(I)] monohydrate]","","- C16 H14 B Li O7 -","- C16 H14 B Li O7 -","- C32 H28 B2 Li2 O14 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0311","0.0304","","","0.0812","0.0819","","","","","","1.063","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020759","7.49015","0.00016","8.24219","0.00013","13.275","0.0003","90","","92.8753","0.0019","90","","818.5","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium bis[(<i>R</i>)-mandelato]borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C32 H32 B2 N2 O12 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0277","0.0262","","","0.0644","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020760","9.0372","0.0006","15.5934","0.0006","44.5357","0.0011","90","","90","","90","","6276","0.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetra-<i>n</i>-butylammonium bis[(<i>R</i>)-mandelato]borate","","- C32 H48 B N O6 -","- C32 H48 B N O6 -","- C256 H384 B8 N8 O48 -","8","2","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0385","0.0318","","","0.066","0.0676","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","198914","2020-10-21","18:00:00",""
"2020761","9.0673","0.0012","10.1144","0.0014","11.7417","0.0014","69.013","0.005","77.791","0.005","81.901","0.005","980.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide","","- C16 H20 Br2 Cu N4 O2 -","- C16 H20 Br2 Cu N4 O2 -","- C32 H40 Br4 Cu2 N8 O4 -","2","1","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0462","0.034","","","0.0864","0.0908","","","","","","1.067","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020762","13.3089","0.0002","8.4494","0.0001","18.535","0.0003","90","","90","","90","","2084.3","0.05","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate","","- C16 H22 Cu N6 O9 -","- C16 H22 Cu N6 O9 -","- C64 H88 Cu4 N24 O36 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0416","0.0356","","","0.109","0.1128","","","","","","1.109","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020763","18.7332","0.0004","8.2315","0.0002","15.7876","0.0003","90","","109.1","0.001","90","","2300.46","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bis(perchlorate)","","- C16 H22 Cl2 Cu N4 O11 -","- C16 H22 Cl2 Cu N4 O10.994 -","- C64 H88 Cl8 Cu4 N16 O43.976 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0447","0.0405","","","0.1224","0.1253","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","199064","2020-10-21","18:00:00",""
"2020764","19.951","0.003","11.7885","0.0018","20.891","0.004","90","","105.625","0.003","90","","4731.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L-9 (H2SO4)","Tris(4-carboxypyridinium) hydrogensulfate sulfate monohydrate","","- C18 H21 N3 O15 S2 -","- C18 H21 N3 O15 S2 -","- C144 H168 N24 O120 S16 -","8","1","YF3121","Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli","A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate","Acta Crystallographica Section C","2017","73","7","525","530","10.1107/S2053229617008269","","","0.71073","MoKα","","0.0622","0.0464","","","0.1071","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","199065","2020-10-21","18:00:00",""
"2020765","7.1403","0.0004","8.6745","0.0006","11.573","0.0007","93.721","0.005","93.714","0.004","104.23","0.005","690.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium 2-carboxy-3-nitrobenzoate","","- C12 H10 Cl N5 O6 -","- C12 H10 Cl N5 O6 -","- C24 H20 Cl2 N10 O12 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","0.71073","MoKα","","0.0746","0.0459","","","0.1062","0.1275","","","","","","1.082","","","","has coordinates,has Fobs","199066","2020-10-21","18:00:00",""
"2020766","6.54","0.0003","7.2557","0.0004","15.7696","0.0009","81.617","0.005","89.511","0.004","74.154","0.005","711.79","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium <i>p</i>-toluenesulfonate","","- C11 H15 Cl N4 O4 S -","- C11 H15 Cl N4 O4 S -","- C22 H30 Cl2 N8 O8 S2 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","1.54184","CuKα","","0.0368","0.036","","","0.0995","0.1003","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","199066","2020-10-21","18:00:00",""
"2020767","13.6345","0.0015","6.9015","0.0007","12.6905","0.0014","90","","105.429","0.004","90","","1151.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluorouracil‒4-methylbenzoic acid (1/1)","","- C12 H11 F N2 O4 -","- C12 H11 F N2 O4 -","- C48 H44 F4 N8 O16 -","4","1","OV3081","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.078","0.0476","","","0.1078","0.1204","","","","","","1.047","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020768","5.9011","0.0012","9.795","0.002","11.674","0.002","110.76","0.03","91.84","0.03","99.59","0.03","619.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluorouracil‒3-nitrobenzoic acid (1/1)","","- C11 H8 F N3 O6 -","- C11 H8 F N3 O6 -","- C22 H16 F2 N6 O12 -","2","1","","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.0756","0.0658","","","0.1813","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020769","8.386","0.0009","9.1422","0.0009","12.9405","0.0014","69.526","0.004","87.16","0.004","76.788","0.004","904.33","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) diacetate","","- C10 H30 Mn N6 O4 -","- C10 H30 Mn N6 O4 -","- C20 H60 Mn2 N12 O8 -","2","1","YP3135","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0269","0.0231","","","0.057","0.0596","","","","","","1.051","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020770","8.3426","0.0009","9.1332","0.001","12.8165","0.0014","70.423","0.005","86.074","0.004","75.628","0.005","891.19","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II) diacetate","","- C10 H30 Fe N6 O4 -","- C10 H30 Fe N6 O4 -","- C20 H60 Fe2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","1.54178","CuKα","","0.0365","0.0315","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020771","8.3029","0.0008","9.1295","0.001","12.7175","0.0013","71.021","0.004","85.776","0.004","75.146","0.004","881.08","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) diacetate","","- C10 H30 Co N6 O4 -","- C10 H30 Co N6 O4 -","- C20 H60 Co2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0284","0.0226","","","0.0531","0.0559","","","","","","1.08","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020772","8.2974","0.0011","9.0619","0.0011","12.5998","0.0017","71.96","0.004","85.204","0.005","74.321","0.004","867.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diacetate","","- C10 H30 N6 Ni O4 -","- C10 H30 N6 Ni O4 -","- C20 H60 N12 Ni2 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0214","0.0194","","","0.0478","0.0491","","","","","","1.074","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020773","8.2953","0.0008","8.9144","0.0008","12.7148","0.0012","75.244","0.004","85.082","0.004","71.226","0.004","860.84","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diacetate","","- C10 H30 Cu N6 O4 -","- C10 H30 Cu N6 O4 -","- C20 H60 Cu2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0296","0.0245","","","0.0626","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020774","8.3223","0.0005","9.1059","0.0005","12.7492","0.0007","70.855","0.002","85.8","0.002","75.434","0.002","883.34","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) diacetate","","- C10 H30 N6 O4 Zn -","- C10 H30 N6 O4 Zn -","- C20 H60 N12 O8 Zn2 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0217","0.0195","","","0.0502","0.0514","","","","","","1.084","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020775","9.2595","0.0004","10.2711","0.0003","16.0049","0.0005","96.056","0.003","92.679","0.003","115.714","0.004","1356.47","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']]","","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","1","0.5","YF3120","Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang","Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand","Acta Crystallographica Section C","2017","73","6","437","441","10.1107/S2053229617006544","","","0.71073","MoKα","","0.0747","0.0495","","","0.1219","0.1325","","","","","","1.045","","","","has coordinates,has Fobs","199069","2020-10-21","18:00:00",""
"2020776","11.0638","0.0002","14.0258","0.0004","20.8917","0.0006","90","","101.59","0.001","90","","3175.84","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({2-methoxy-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]aniline-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C124 H116 Cl4 Co4 N12 O36 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0631","0.0397","","","0.0938","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","199070","2020-10-21","18:00:00",""
"2020777","13.0021","0.0002","12.8075","0.0003","19.8373","0.0004","90","","93.008","0.001","90","","3298.84","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]quinolin-8-amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C132 H112 Cl4 Co4 N16 O32 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0526","0.0414","","","0.1027","0.1092","","","","","","1.088","","","","has coordinates,has Fobs","199070","2020-10-21","18:00:00",""
"2020778","33.1506","0.0012","33.1506","0.0012","16.6829","0.0014","90","","90","","90","","18333.9","1.8","293","2","293.15","","","","","","","","","5","I 41/a","-I 4ad","88","","Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)]","","- C90 H68 Ca O29 Zn6 -","- C90 H68 Ca O29 Zn6 -","- C720 H544 Ca8 O232 Zn48 -","8","","FN3233","Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu","A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid","Acta Crystallographica Section C","2017","73","6","470","475","10.1107/S2053229617006829","","","0.71073","MoKα","","0.1093","0.0564","","","0.1343","0.1589","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199071","2020-10-21","18:00:00",""
"2020779","8.3665","0.0004","23.1277","0.0011","13.5984","0.0007","90","","98.221","0.001","90","","2604.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-(μ~2~-pyridine-2,3-dicarboxylato-κ^2^<i>N</i>:<i>O</i>^3^)-silver(I)-tris(μ~2~-5-methyl-1,3,4-thiodiazol-2-amine-κ^2^<i>N</i>:<i>N</i>')] monohydrate ethanol monosolvate]","","- C18 H26 Ag2 N10 O6 S3 -","- C16 H18 Ag2 N10 O4 S3 -","- C64 H72 Ag8 N40 O16 S12 -","4","1","LG3205","Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang","A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate","Acta Crystallographica Section C","2017","73","6","498","502","10.1107/S2053229617007653","","","0.71073","MoKα","","0.0304","0.0269","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates,has Fobs","199072","2020-10-21","18:00:00",""
"2020780","12.9134","0.0017","21.035","0.003","9.1946","0.0012","90","","93.696","0.002","90","","2492.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C24 H10 Cd F10 N2 O5 -","- C24 H10 Cd F10 N2 O5 -","- C96 H40 Cd4 F40 N8 O20 -","4","1","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0438","0.0292","","","0.0695","0.0778","","","","","","1.024","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020781","21.402","0.005","11.711","0.002","10.955","0.002","90","","106.639","0.003","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>]","","- C24 H12 Cd F10 N2 O6 -","- C24 H12 Cd F10 N2 O6 -","- C96 H48 Cd4 F40 N8 O24 -","4","0.5","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0305","0.0274","","","0.0747","0.0769","","","","","","1.006","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020782","15.7523","0.0008","7.1201","0.0003","15.954","0.0008","90","","112.709","0.004","90","","1650.65","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","WQ3133","Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim","A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis","Acta Crystallographica Section C","2017","73","7","517","524","10.1107/S2053229617008452","","","0.71073","MoKα","","0.0418","0.0295","","","0.0715","0.0749","","","","","","0.997","","","","has coordinates,has Fobs","199074","2020-10-21","18:00:00",""
"2020783","5.3048","0.0005","31.891","0.003","10.508","0.001","90","","98.184","0.003","90","","1759.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Naproxen‒picolinamide (1/1)","(<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","DF3001","Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic","Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal","Acta Crystallographica Section C","2017","73","3","168","175","10.1107/S2053229616011980","","","0.71073","MoKα","","0.1145","0.0575","","0.1025","0.082","0.082","","","","","","0.9443","","","","has coordinates,has Fobs","199075","2020-10-21","18:00:00",""
"2020784","7.1707","0.0002","22.8006","0.0006","13.8237","0.0004","90","","97.047","0.003","90","","2243.05","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dithianon‒pyrimethanil (1/1)","5,10-Dioxo-5<i>H</i>,10<i>H</i>-naphtho[2,3-<i>b</i>][1,4]dithiine-2,3-dicarbonitrile‒4,6-dimethyl-<i>N</i>-phenylpyrimidin-2-amine (1/1)","","- C26 H17 N5 O2 S2 -","- C26 H17 N5 O2 S2 -","- C104 H68 N20 O8 S8 -","4","1","DF3006","Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.","Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil","Acta Crystallographica Section C","2017","73","3","149","156","10.1107/S2053229617000870","","","1.54184","CuKα","","0.0527","0.0449","","0.0935","0.0851","0.0935","","","","","","0.9756","","","","has coordinates,has Fobs","199076","2020-10-21","18:00:00",""
"2020785","19.513","0.003","19.513","0.003","17.613","0.004","90","","90","","90","","6706","2","294","2","294","2","","","","","","","","5","I 41/a","-I 4ad","88","Lamotriginium crotonate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate","","- C13 H13 Cl2 N5 O2 -","- C13 H13 Cl2 N5 O2 -","- C208 H208 Cl32 N80 O32 -","16","","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.1072","0.0566","","","0.1477","0.1848","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","199077","2020-10-21","18:00:00",""
"2020786","7.9389","0.0004","12.2938","0.0009","12.3282","0.0008","61.781","0.007","79.379","0.005","72.313","0.005","1008.91","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium salicylate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-hydroxybenzoate ethanol monosolvate","","- C18 H19 Cl2 N5 O4 -","- C18 H19 Cl2 N5 O4 -","- C36 H38 Cl4 N10 O8 -","2","1","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.089","0.0561","","","0.1363","0.1678","","","","","","1.049","","","","has coordinates,has Fobs","199077","2020-10-21","18:00:00",""
"2020787","10.5376","0.0006","21.5025","0.0014","19.9462","0.0019","90","","99.079","0.007","90","","4462.9","0.6","273","2","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[9,9-Dimethyl-4,5-bis(diphenylphosphanyl)-9<i>H</i>-xanthene-κ^2^<i>P</i>,<i>P</i>](2-methylquinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)copper(I) hexafluorophosphate","","- C49 H41 Cu F6 N O2 P3 -","- C49 H41 Cu F6 N O2 P3 -","- C196 H164 Cu4 F24 N4 O8 P12 -","4","1","OV3091","Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen","A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2017","73","6","486","491","10.1107/S2053229617007549","","","0.71073","MoKα","","0.1171","0.0643","","","0.1571","0.1983","","","","","","1.021","","","","has coordinates,has Fobs","199078","2020-10-21","18:00:00",""
"2020788","16.2592","0.0003","14.2078","0.0003","9.256","0.0002","90","","92.527","0.001","90","","2136.13","0.08","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ~3~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}bis{μ~2~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}tetracopper(II)","","- C44 H52 Cu4 N4 O12 -","- C44 H52 Cu4 N4 O12 -","- C88 H104 Cu8 N8 O24 -","2","0.5","LF3047","Gungor, Elif","A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2017","73","5","393","398","10.1107/S2053229617004946","","","0.71073","MoKα","","0.0864","0.051","","","0.112","0.1225","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","199079","2020-10-21","18:00:00",""
"2020789","13.304","0.0011","5.1796","0.0004","19.6396","0.0018","90","","95.143","0.001","90","","1347.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","WQ3126","Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia","Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells","Acta Crystallographica Section C","2017","73","6","458","463","10.1107/S205322961700691X","","","0.71073","MoKα","","0.1373","0.0571","","","0.082","0.0937","","","","","","1.071","","","","has coordinates,has Fobs","199080","2020-10-21","18:00:00",""
"2020790","14.095","0.003","14.095","0.003","14.095","0.003","90","","90","","90","","2800.2","1","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoridovanadate(III)","","- C3 H18 F6 N9 V -","- C3 H18 F6 N9 V -","- C24 H144 F48 N72 V8 -","8","0.333333","YF3116","Black, Cameron; Lightfoot, Philip","Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite","Acta Crystallographica Section C","2017","73","3","244","246","10.1107/S2053229617001711","","","0.71075","MoKα","","0.0575","0.0455","","","0.1372","0.1607","","","","","","1.319","","","","has coordinates,has Fobs","199081","2020-10-21","18:00:00",""
"2020791","13.1813","0.0007","7.2661","0.0004","15.6283","0.0008","90","","96.933","0.003","90","","1485.88","0.14","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,2'-(Disulfanediylbis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl})diphenol","2-[5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-4-(2-{5-[(<i>E</i>)-(2-hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-1,3-thiazol-4-yl}disulfanyl)-1,3-thiazol-2-yl]phenol","","- C32 H22 N4 O4 S4 -","- C32 H22 N4 O4 S4 -","- C64 H44 N8 O8 S8 -","2","0.5","UK3134","Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe","2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617008257","","","0.71073","MoKα","","0.0641","0.0413","","","0.1116","0.1296","","","","","","1.041","","","","has coordinates,has Fobs","199082","2020-10-21","18:00:00",""
"2020792","7.0975","0.0004","7.9093","0.0004","16.9976","0.001","86.16","0.002","83.141","0.002","66.564","0.002","869","0.08","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H14 F4 N2 O4 S -","- C16 H14 F4 N2 O4 S -","- C32 H28 F8 N4 O8 S2 -","2","1","CU3113","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0352","0.0303","","","0.0772","0.0807","","","","","","1.021","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020793","21.6747","0.0006","21.6747","0.0006","7.285","0.0003","90","","90","","90","","3422.44","0.19","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H13 F5 N2 O4 S -","- C16 H13 F5 N2 O4 S -","- C128 H104 F40 N16 O32 S8 -","8","1","","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0255","0.0239","","","0.0577","0.0633","","","","","","1.088","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020794","5.0591","0.0003","16.7533","0.0009","23.5587","0.0013","90","","90","","90","","1996.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","KU3197","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0435","0.0404","","","0.1101","0.1323","","","","","","1.089","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020795","5.0827","0.0003","16.7903","0.0009","24.0532","0.0012","90","","90","","90","","2052.7","0.19","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0718","0.0665","","","0.1837","0.189","","","","","","1.052","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020796","8.1493","0.0004","8.5209","0.0005","34.4887","0.0014","90","","96.648","0.004","90","","2378.8","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-({(<i>E</i>)-[(<i>E</i>)-1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1<i>H</i>-indole acetonitrile disolvate","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","FN3235","Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao","Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl","Acta Crystallographica Section C","2017","73","7","546","555","10.1107/S2053229617009044","","","0.71073","MoKα","","0.1066","0.0528","","","0.1271","0.1548","","","","","","1.021","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2020797","9.3324","0.0005","10.754","0.0007","12.2892","0.0007","90","","111.349","0.002","90","","1148.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","","- C24 H32 Cl2 O2 Sc2 -","- C24 H32 Cl2 O2 Sc2 -","- C48 H64 Cl4 O4 Sc4 -","2","0.5","YP3133","Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.","The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","Acta Crystallographica Section C","2017","73","5","420","423","10.1107/S2053229617005678","","","0.71073","MoKα","","0.0798","0.047","","","0.0733","0.0808","","","","","","1.041","","","","has coordinates,has Fobs","199086","2020-10-21","18:00:00",""
"2020798","8.4269","0.0006","12.4905","0.0008","15.1415","0.001","66.53","0.001","76.005","0.001","85.473","0.001","1418.22","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate benzene monosolvate","","- C33 H27 Br O6 -","- C33 H27 Br O6 -","- C66 H54 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0437","0.0337","","","0.0896","0.0956","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020799","8.3989","0.0005","12.5415","0.0007","15.2195","0.0008","67.408","0.001","76.135","0.001","85.458","0.001","1436.85","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate toluene monosolvate","","- C34 H29 Br O6 -","- C34 H29 Br O6 -","- C68 H58 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0452","0.0373","","","0.1034","0.1096","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020800","8.2587","0.0006","12.7841","0.0009","15.6238","0.0011","66.446","0.001","76.634","0.001","86.03","0.001","1470.67","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate xylene monosolvate","","- C35 H31 Br O6 -","- C35 H31 Br O6 -","- C70 H62 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0594","0.0417","","","0.1048","0.1129","","","","","","1.143","","","","has coordinates,has Fobs","199089","2020-10-21","18:00:00",""
"2020801","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","1","0.5","FN3236","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.0114","0.0114","","","0.0282","0.0282","","","","","","1.133","","","","has coordinates,has Fobs","199090","2020-10-21","18:00:00",""
"2020802","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","1","0.5","","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.017","0.017","","","0.0399","0.0399","","","","","","1.267","","","","has coordinates","199090","2020-10-21","18:00:00",""
"2020803","9.1605","0.0003","13.8069","0.0005","16.8625","0.0007","90","","90","","90","","2132.74","0.14","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-6-Acetoxy-4,9,10-trihydroxy-2,2,5a,9-tetramethyloctahydro-2<i>H</i>-3,9a-methanobenzo[<i>b</i>]oxepin-5-yl furan-3-carboxylate","","- C22 H30 O9 -","- C22 H30 O9 -","- C88 H120 O36 -","4","1","FN3234","Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>","Acta Crystallographica Section C","2017","73","6","451","457","10.1107/S2053229617006817","","","1.54178","CuKα","","0.0638","0.0605","","","0.1572","0.1648","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199091","2020-10-21","18:00:00",""
"2020804","12.671","0.002","6.61","0.001","10.2706","0.0002","90","","106.64","0.01","90","","824.19","0.19","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium magnesium bis(selenate) decahydrate","","- H20 Mg Na2 O18 Se2 -","- H20 Mg Na2 O18 Se2 -","- H40 Mg2 Na4 O36 Se4 -","2","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.0263","0.0199","","","0.0434","0.0464","","","","","","1.011","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020805","5.556","0.004","5.923","0.004","7.224","0.005","108.36","0.06","99.07","0.05","106.63","0.06","208","0.3","200","2","200","","","","","","","","","5","P -1","-P 1","2","","Disodium magnesium bis(selenate) dihydrate","","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","1","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.039","0.0321","","","0.0806","0.0844","","","","","","1.269","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020806","9.9801","0.0004","18.854","0.0008","26.1414","0.0011","90","","90","","90","","4918.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>R</i>,3<i>S</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(pivalamido)propyl]benzamide","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C216 H256 N16 O24 -","8","2","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.0813","0.0578","","","0.1254","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020807","10.1501","0.0011","14.8556","0.0015","17.662","0.002","109.248","0.008","97.929","0.009","91.214","0.008","2483.9","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(propionamido)propyl]benzamide dichloromethane hemisolvate","","- C25.5 H29 Cl N2 O3 -","- C25.5 H29 Cl N2 O3 -","- C102 H116 Cl4 N8 O12 -","4","4","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.1084","0.0789","","","0.1815","0.1952","","","","","","1.063","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020808","6.8884","0.0004","9.5036","0.0006","9.618","0.0006","73.608","0.002","87.634","0.002","69.969","0.002","566.43","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","5-Fluorouracil‒5-bromothiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒5-bromothiophene-2-carboxylic acid (1/1)","","- C9 H6 Br F N2 O4 S -","- C9 H6 Br F N2 O4 S -","- C18 H12 Br2 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.021","0.0191","","","0.0497","0.0508","","","","","","1.061","","","","has coordinates,has Fobs","199094","2020-10-21","18:00:00",""
"2020809","6.8304","0.0003","7.0075","0.0004","12.3042","0.0006","93.348","0.002","103.091","0.001","115.566","0.001","509.22","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5-Fluorouracil-thiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒thiophene-2-carboxylic acid (1/1)","","- C9 H7 F N2 O4 S -","- C9 H7 F N2 O4 S -","- C18 H14 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.0305","0.0281","","","0.0736","0.0753","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","199094","2020-10-21","18:00:00",""
"2020810","10.242","0.001","11.807","0.0011","22.297","0.002","80.453","0.002","84.916","0.002","64.733","0.001","2404.1","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1α,2β,4β,5α,16α,17β,19β,20α)-1,5,16,20-Tetrachloro-31,31,32,32-tetramethoxy-11,26-bis[5-(thiophen-2-yl)thiophen-2-yl]-7,14,22,29-tetraazanonacyclo[18.10.1.1^5,16^.0^2,19^.0^4,17^.0^6,15^.0^8,13^.0^21,30^.0^23,28^]dotriaconta-6(15),7,9,11,13,21(30),22,24,26,28-decaene chloroform monosolvate","","- C49 H37 Cl7 N4 O4 S4 -","- C49 H37 Cl7 N4 O4 S4 -","- C98 H74 Cl14 N8 O8 S8 -","2","1","FN3230","Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.","Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings","Acta Crystallographica Section C","2017","73","3","276","279","10.1107/S2053229617001991","","","0.71073","MoKα","","0.0527","0.0399","","","0.0959","0.1038","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","199095","2020-10-21","18:00:00",""
"2020811","9.54931","0.00015","16.1513","0.0002","14.5715","0.0002","90","","91.2561","0.0013","90","","2246.88","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>:<i>N</i>']bis(methanol-κ<i>O</i>)cobalt(II)] bis(perchlorate)]","","- C46 H40 Cl2 Co N16 O10 -","- C46 H40 Cl2 Co N16 O10 -","- C92 H80 Cl4 Co2 N32 O20 -","2","0.5","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","0.71073","MoKα","","0.0456","0.0396","","","0.0931","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020812","20.4923","0.0005","7.4278","0.0003","13.9819","0.0004","90","","94.891","0.002","90","","2120.47","0.12","100.6","0.1","100.6","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']dichloridocobalt(II)]","","- C22 H16 Cl2 Co N8 -","- C22 H16 Cl2 Co N8 -","- C88 H64 Cl8 Co4 N32 -","4","1","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","1.54184","CuKα","","0.0532","0.0393","","","0.0885","0.096","","","","","","1.037","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020813","8.7136","0.0002","6.3606","0.0002","13.3613","0.0003","90","","100.22","0.002","90","","728.78","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>R</i>,8<i>S</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decan-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","1.54184","CuKα","","0.0325","0.0315","","","0.0856","0.087","","","","","","1.04","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020814","8.7007","0.0003","6.3466","0.0002","13.3458","0.0004","90","","100.243","0.003","90","","725.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>S</i>,8<i>R</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","0.71073","MoKα","","0.0881","0.0522","","","0.1094","0.1272","","","","","","1.074","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020815","29.0091","0.0018","7.7205","0.0003","29.9984","0.0018","90","","114.524","0.003","90","","6112.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol hemihydrate","","- C32 H55 O5.5 -","- C32 H55 O5.5 -","- C256 H440 O44 -","8","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.081","0.0622","","","0.1654","0.1854","","","","","","1.046","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020816","17.9895","0.0011","8.2912","0.0004","22.7981","0.0018","90","","108.343","0.002","90","","3227.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol ethanol hemisolvate","","- C33 H57 O5.5 -","- C33 H57 O5.5 -","- C132 H228 O22 -","4","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.0799","0.0538","","","0.1301","0.153","","","","","","1.027","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020817","10.91","0.002","8.037","0.0016","17.018","0.003","90","","92.5","0.03","90","","1490.8","0.5","153","2","153","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>S</i>)-3-Acetyl-20,24-epoxydammarane-3,12,25-triol","","- C32 H54 O5 -","- C32 H54 O5 -","- C64 H108 O10 -","2","1","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54187","CuKα","","0.0843","0.0675","","","0.1835","0.2075","","","","","","1.19","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020818","8.1694","0.0003","17.2478","0.0005","7.7689","0.0002","90","","97.521","0.001","90","","1085.25","0.06","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)]","","- C10 H4 O9 Sr2 -","- C10 H4 O9 Sr2 -","- C40 H16 O36 Sr8 -","4","0.5","","Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies","Acta Crystallographica Section C","2017","73","5","369","375","10.1107/S2053229617003850","","","0.71073","MoKα","","0.0279","0.0205","","","0.0478","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","199099","2020-10-21","18:00:00",""
"2020819","8.73056","0.00018","11.7379","0.0003","17.619","0.0007","90","","102.142","0.0008","90","","1765.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-dimethyl-4,4'-bipyridine-1,1'-diium) hexacyanidoferrate(II) octahydrate","","- C30 H44 Fe N10 O8 -","- C30 H44 Fe N10 O8 -","- C60 H88 Fe2 N20 O16 -","2","0.5","UK3133","Tanaka, Rikako; Matsushita, Nobuyuki","A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)","Acta Crystallographica Section C","2017","73","6","476","480","10.1107/S2053229617007616","","","0.71075","MoKα","","0.0489","0.0421","","","0.1221","0.1303","","","","","","1.094","","","","has coordinates,has Fobs","199100","2020-10-21","18:00:00",""
"2020820","17.0243","0.0016","10.494","0.001","15.1374","0.0014","90","","109.09","0.003","90","","2555.6","0.4","120","2","120.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}carbonylchlorido(trimethylphosphane-κ<i>P</i>)iron(II)","","- C22 H43 Cl Fe N O P3 -","- C22 H43 Cl Fe N O P3 -","- C88 H172 Cl4 Fe4 N4 O4 P12 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0429","0.0316","","","0.0694","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020821","7.6074","0.0006","18.2229","0.0015","19.1442","0.0016","90","","92.3658","0.0013","90","","2651.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}chlorido(pyridine-κ<i>N</i>)iron(II)","","- C23 H39 Cl Fe N2 P2 -","- C23 H39 Cl Fe N2 P2 -","- C92 H156 Cl4 Fe4 N8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0221","0.0208","","","0.0536","0.0544","","","","","","1.037","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020822","13.7917","0.0017","14.6349","0.0018","11.2225","0.0013","90","","90.729","0.002","90","","2265","0.5","120","2","120.04","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}dicarbonylchloridoiron(II)","","- C20 H34 Cl Fe N O2 P2 -","- C20 H34 Cl Fe N O2 P2 -","- C80 H136 Cl4 Fe4 N4 O8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0472","0.042","","","0.0886","0.0901","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","199101","2020-10-21","18:00:00",""
"2020823","8.073","0.0002","12.4019","0.0003","15.2718","0.0004","106.744","0.002","101.979","0.002","96.647","0.002","1406.93","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate]","","- C34 H26 Cd N2 O7 -","- C34 H26 Cd N2 O7 -","- C68 H52 Cd2 N4 O14 -","2","1","YP3134","Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang","A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties","Acta Crystallographica Section C","2017","73","7","541","545","10.1107/S2053229617008804","","","1.54178","CuKα","","0.0296","0.0292","","","0.0767","0.077","","","","","","1.082","","","","has coordinates,has Fobs","199102","2020-10-21","18:00:00",""
"2020824","7.9818","0.0003","26.7046","0.0009","9.222","0.0003","90","","115.398","0.002","90","","1775.69","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetramethylpyrazine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C14 H12 F3 I3 N2 -","- C14 H12 F3 I3 N2 -","- C56 H48 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0326","0.029","","","0.0659","0.0674","","","","","","1.185","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020825","10.5079","0.0004","12.5632","0.0005","15.1563","0.0006","90","","102.49","0.002","90","","1953.47","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","Dibenzo[<i>b</i>,<i>e</i>]pyridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C19 H9 F3 I3 N -","- C19 H9 F3 I3 N -","- C76 H36 F12 I12 N4 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0237","0.0219","","","0.0525","0.0538","","","","","","1.052","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020826","8.6445","0.0003","14.0472","0.0006","15.8147","0.0006","90","","97.662","0.002","90","","1903.25","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthroline‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C18 H8 F3 I3 N2 -","- C18 H8 F3 I3 N2 -","- C72 H32 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0283","0.0251","","","0.0572","0.0592","","","","","","1.148","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020827","11.731","0.004","14.274","0.005","13.211","0.005","90","","100.862","0.007","90","","2172.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-2,4'-oxydibenzoato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)copper(II)] monohydrate]{[Cu(C~14~H~8~O~5~)(C~10~H~8~N~2~)]\χdotH~2~O","","- C24 H18 Cu N2 O6 -","- C24 H18 Cu N2 O6 -","- C96 H72 Cu4 N8 O24 -","4","1","OV3089","Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng","A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine","Acta Crystallographica Section C Structural Chemistry","2017","73","7","","","10.1107/S2053229617007537","","","0.71073","MoKα","","0.0743","0.0419","","","0.1007","0.1094","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","199104","2020-10-21","18:00:00",""
"2020832","11.7931","0.0005","10.4209","0.0005","14.0792","0.0006","90","","111.081","0.001","90","","1614.46","0.12","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11<i>bS</i>)-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-4-(Diphenylphosphanyl)pentan-2-yl]-<i>N</i>-methyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepin-4-amine","","- C38 H35 N O2 P2 -","- C38 H35 N O2 P2 -","- C76 H70 N2 O4 P4 -","2","1","SK3658","Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József","Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010403","","","0.71075","MoKα","","0.0658","0.0439","","","0.0831","0.0899","","","","","","1.031","","","","has coordinates,has Fobs","199342","2020-10-21","18:00:00",""
"2020833","7.0166","0.0003","27.4725","0.0011","7.1101","0.0003","90","","113.738","0.001","90","","1254.61","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-2-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0258","0.024","","","0.0666","0.0682","","","","","","1.074","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020834","7.0616","0.0005","28.3503","0.0019","7.0571","0.0004","90","","114.324","0.005","90","","1287.41","0.15","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0284","0.0279","","","0.0767","0.077","","","","","","1.093","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020835","12.9824","0.0009","23.0588","0.0015","5.7527","0.0004","90","","90","","90","","1722.1","0.2","100","","100.02","","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C96 H72 F8 -","8","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0387","0.0385","","","0.1062","0.1066","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020836","5.6462","0.0014","20.739","0.005","7.292","0.002","90","","90","","90","","853.9","0.4","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C48 H36 F4 -","4","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0495","0.045","","","0.1387","0.1434","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020837","13.264","0.003","9.0189","0.0018","14.709","0.003","90","","107.04","0.03","90","","1682.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 Co N8 O8 -","- C32 H35.994 Co N8 O8 -","- C64 H71.988 Co2 N16 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0555","0.0516","","","0.0936","0.0955","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020838","13.192","0.003","9.018","0.0018","14.67","0.003","90","","106.84","0.03","90","","1670.4","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}nickel(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 N8 Ni O8 -","- C32 H36 N8 Ni O8 -","- C64 H72 N16 Ni2 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0442","0.0387","","","0.0872","0.0904","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020840","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0324","0.0296","","","","0.0836","","","","","","0.9807","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020841","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0417","0.0378","","","0.0997","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020842","9.3455","0.0009","13.1854","0.001","9.2185","0.0008","90","","118.466","0.011","90","","998.61","0.18","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trifluoro-2,4,6-triiodobenzene","","- C6 F3 I3 -","- C6 F3 I3 -","- C24 F12 I12 -","4","1","UK3135","Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.","Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011007","","","0.71073","MoKα","","0.0868","0.0538","","","0.132","0.1653","","","","","","1.058","","","","has coordinates,has Fobs","199555","2020-10-21","18:00:00",""
"2020843","9.1077","0.0007","13.5893","0.0011","19.476","0.0016","90","","90","","90","","2410.5","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","A646 (Breton2016)","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","0.5","FN3238","Martin, Kenneth L.; Breton, Gary W.","Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617010786","","","0.71073","MoKα","","0.0492","0.0446","","","0.1195","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","199556","2020-10-21","18:00:00",""
"2020844","15.8635","0.0002","15.8635","0.0002","8.9754","0.0001","90","","90","","120","","1956.06","0.04","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C12 H11 Cl N3 O P -","- C12 H11 Cl N3 O P -","- C72 H66 Cl6 N18 O6 P6 -","6","1","LY3049","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.","A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds","Acta Crystallographica Section C","2017","73","7","508","516","10.1107/S205322961700794X","","","0.71073","MoKα","","0.0421","0.0407","","","","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","199598","2020-10-21","18:00:00",""
"2020845","8.4211","0.0011","9.5379","0.0012","9.7491","0.0012","83.531","0.006","66.048","0.004","85.922","0.006","710.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)zinc(II)","","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0695","0.0445","","","0.1059","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020846","8.7209","0.0004","8.7949","0.0004","10.349","0.0004","91.966","0.002","94.945","0.002","112.682","0.002","727.67","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)cadmium(II)","","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0341","0.0299","","","0.0664","0.0679","","","","","","1.098","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020847","9.271","0.005","9.571","0.005","10.156","0.005","87.833","0.005","68.383","0.005","88.803","0.005","837.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(tricyanomethanido-κ<i>N</i>^1^)cadmium(II)","","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0306","0.0262","","","0.0611","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020848","13.0866","0.0016","21.934","0.003","24.898","0.003","90","","91.214","0.004","90","","7145.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","","- C78 H91 Fe K N10 O8 -","- C78 H91 Fe K N10 O8 -","- C312 H364 Fe4 K4 N40 O32 -","4","1","EG3222","Wu, Qi; Yao, Zhen; Li, Jianfeng","Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617009202","","","0.71073","MoKα","","0.0483","0.0357","","","0.0803","0.0866","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199667","2020-10-21","18:00:00",""
"2020849","10.6134","0.0014","15.7166","0.0016","11.8754","0.0017","90","","100.376","0.005","90","","1948.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}platinum(II)","","- C20 H18 Cl2 N4 Pt -","- C20 H18 Cl2 N4 Pt -","- C80 H72 Cl8 N16 Pt4 -","4","1","UK3137","DeStefano, Matthew R.; Geiger, David K.","A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011573","","","0.71073","MoKa","","0.0506","0.0331","","","0.0641","0.0691","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199699","2020-10-21","18:00:00",""
"2020850","48.675","0.003","8.375","0.0005","16.3155","0.0009","90","","100.716","0.002","90","","6535.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(dimethylformamide-κ<i>O</i>)(perchlorato-κ<i>O</i>)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-<i>f</i>][1,10]phenanthroline]copper(II) perchlorate monohydrate","","- C28 H30 Cl2 Cu N6 O13 -","- C28 H30 Cl2 Cu N6 O13 -","- C224 H240 Cl16 Cu8 N48 O104 -","8","1","SK3665","Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.","A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011639","","","1.54178","CuKα","","0.0522","0.0466","","","0.1268","0.132","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","199767","2020-10-21","18:00:00",""
"2020851","10.6003","0.0002","14.0573","0.0003","15.8141","0.0002","90","","104.016","0.001","90","","2286.33","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-oxo-2-phenyl-4<i>H</i>-chromen-3-olato)-κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^;κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] bis(perchlorate)","","- C50 H34 Cl2 N4 O14 Zn2 -","- C50 H34 Cl2 N4 O14 Zn2 -","- C100 H68 Cl4 N8 O28 Zn4 -","2","0.5","LG3207","Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011366","","","0.71073","MoKα","","0.0478","0.0372","","","0.0878","0.0933","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","199768","2020-10-21","18:00:00",""
"2020852","7.3985","0.0004","16.498","0.0009","22.9089","0.0013","90","","98.3739","0.001","90","","2766.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1","<i>catena</i>-Poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido]","","- C20 H24 Br4 Cd Hg N2 O5 -","- C20 H24 Br4 Cd Hg N2 O5 -","- C80 H96 Br16 Cd4 Hg4 N8 O20 -","4","1","YF3124","Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011408","","","0.71073","MoKα","","0.0457","0.0362","","","0.0789","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","199769","2020-10-21","18:00:00",""
"2020853","5.3945","0.0004","9.1577","0.0005","43.475","0.004","90","","90","","90","","2147.7","0.3","253","2","253","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol","","- C21 H25 Cl O5 S -","- C21 H25 Cl O5 S -","- C84 H100 Cl4 O20 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0616","0.0441","","","0.0935","0.1082","","","","","","1.069","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020854","4.4659","0.0003","9.8994","0.0008","48.073","0.005","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol monohydrate","","- C21 H27 Cl O6 S -","- C21 H27 Cl O6 S -","- C84 H108 Cl4 O24 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0832","0.073","","","0.1434","0.149","","","","","","1.35","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020855","10.3583","0.0002","13.1393","0.0003","17.7722","0.0004","90","","92.291","0.002","90","","2416.88","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprimium ferrocenecarboxylate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium ferrocene-1-carboxylate","","- C25 H28 Fe N4 O5 -","- C25 H28 Fe N4 O5 -","- C100 H112 Fe4 N16 O20 -","4","1","KU3202","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0438","0.0344","","","0.0851","0.0903","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199852","2020-10-21","18:00:00",""
"2020856","20.8783","0.0007","7.4013","0.0002","23.2605","0.0008","90","","108.146","0.004","90","","3415.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4-Amino-5-chloro-2,6-dimethylpyrimidine ferrocenecarboxylic acid","4-Amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","","- C17 H18 Cl Fe N3 O2 -","- C17 H18 Cl Fe N3 O2 -","- C136 H144 Cl8 Fe8 N24 O16 -","8","1","","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0437","0.032","","","0.0772","0.084","","","","","","1.069","","","","has coordinates,has Fobs","199852","2020-10-21","18:00:00",""
"2020857","16.56","0.003","13.383","0.003","13.302","0.003","90","","111.47","0.03","90","","2743.5","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[μ~4~-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate]","","- C13 H11 Cd N3 O7 -","- C26 H22 Cd2 N6 O14 -","- C104 H88 Cd8 N24 O56 -","4","0.5","EG3225","Zhou, Qian-Kun; Li, Ni-Ya","A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617012189","","","0.71073","MoKα","","0.0209","0.0201","","","0.0468","0.0473","","","","","","1.157","","","","has coordinates,has Fobs","199942","2020-10-21","18:00:00",""
"2020858","6.9132","0.0008","8.9917","0.001","36.898","0.004","90","","90","","90","","2293.6","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thymine‒catechol (1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2-diol (1/1)","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0613","0.0511","","","0.1283","0.1342","","","","","","1.17","","","","has coordinates,has Fobs","199944","2020-10-21","18:00:00",""
"2020859","6.9499","0.0007","9.0237","0.001","26.828","0.003","90","","90","","90","","1682.5","0.3","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Thymine‒catechol (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,3-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.059","0.0518","","","0.1302","0.1347","","","","","","1.103","","","","has coordinates,has Fobs","199945","2020-10-21","18:00:00",""
"2020860","14.204","0.003","6.9634","0.0013","8.4505","0.0015","90","","97.639","0.003","90","","828.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thymine‒hydroquinone (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,4-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0452","0.0423","","","0.1201","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","199946","2020-10-21","18:00:00",""
"2020861","6.9652","0.0013","10.2125","0.0019","12.951","0.002","97.218","0.003","99.189","0.003","108.549","0.003","846.7","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Thymine‒pyrogallol (1/2)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2,3-triol (1/2)","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0488","0.0427","","","0.1239","0.1311","","","","","","1.046","","","","has coordinates,has Fobs","199947","2020-10-21","18:00:00",""
"2020878","8.181","0.004","12.168","0.005","22.99","0.01","90","","92.197","0.007","90","","2286.9","1.8","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(1,2,5-thiadiazolo[3,4-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^1^,<i>N</i>^10^)copper(II)","","- C24 H12 Cl2 Cu N8 S2 -","- C24 H12 Cl2 Cu N8 S2 -","- C96 H48 Cl8 Cu4 N32 S8 -","4","0.5","FP3044","Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.","Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018551","","","0.71073","MoKα","","0.0483","0.0426","","","0.1116","0.1162","","","","","","1.036","","","","has coordinates,has Fobs","205154","2020-10-21","18:00:00",""
"2020879","22.0884","0.0006","22.0884","0.0006","22.0884","0.0006","90","","90","","90","","10776.9","0.5","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tris[<i>N</i>-(2-hydroxyethyl)-2,2'-iminodiiethanolato]tris(2,2',2''-\ nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate)","","- C36 H75 Cl2 Fe7 N6 O26 -","- C36 H75 Cl2 Fe7 N6 O26 -","- C288 H600 Cl16 Fe56 N48 O208 -","8","0.333333","QF3003","van der Horn, Jitschaq A.; Lutz, Martin","Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018460","","","0.71073","MoKα","","0.047","0.0279","","","0.0629","0.0695","","","","","","1.022","","","","has coordinates,has Fobs","205155","2020-10-21","18:00:00",""
"2020880","5.9328","0.0012","10.245","0.002","10.853","0.002","105.33","0.03","103.2","0.03","94","0.03","613.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]manganese(II)","","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","1","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0625","0.055","","","0.1108","0.1152","","","","","","1.087","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020881","9.1343","0.0018","14.26","0.003","16.985","0.003","90","","91.3","0.03","90","","2211.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido]-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis{aqua[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]lead(II)}","","- C40 H36 N20 O6 Pb2 -","- C40 H36 N20 O6 Pb2 -","- C80 H72 N40 O12 Pb4 -","2","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0353","0.0331","","","0.0904","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020882","20.035","0.004","13.401","0.003","25.119","0.005","90","","106.58","0.03","90","","6464","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis[μ~2~-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^]tricadmium(II)","","- C60 H48 Cd3 N30 O6 -","- C60 H48 Cd3 N30 O6 -","- C240 H192 Cd12 N120 O24 -","4","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0444","0.0301","","","0.0642","0.0692","","","","","","1.015","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020883","16.4233","0.0014","11.5002","0.0009","7.6203","0.0006","90","","91.914","0.007","90","","1438.5","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca O8 -","- C14 H14 Ca O8 -","- C56 H56 Ca4 O32 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0305","0.0267","","","0.0653","0.0676","","","","","","1.083","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020884","16.4335","0.0007","11.4974","0.0004","7.6301","0.0003","90","","91.778","0.004","90","","1440.96","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.96 O8 Sr0.04 -","- C14 H14 Ca0.959 O8 Sr0.041 -","- C56 H56 Ca3.836 O32 Sr0.164 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.022","0.0211","","","0.0545","0.0551","","","","","","1.068","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020885","16.4344","0.0003","11.4853","0.0002","7.6417","0.0002","90","","91.785","0.002","90","","1441.7","0.05","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.92 O8 Sr0.08 -","- C14 H14 Ca0.917 O8 Sr0.083 -","- C56 H56 Ca3.668 O32 Sr0.332 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0224","0.0211","","","0.0524","0.053","","","","","","1.08","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020886","16.4921","0.001","11.5345","0.0008","7.6679","0.0005","90","","91.838","0.006","90","","1457.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.83 O8 Sr0.17 -","- C14 H14 Ca0.835 O8 Sr0.165 -","- C56 H56 Ca3.34 O32 Sr0.66 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0418","0.0364","","","0.0861","0.093","","","","","","1.086","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020887","16.5626","0.0013","11.4921","0.001","7.7041","0.0007","90","","91.588","0.008","90","","1465.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.69 O8 Sr0.31 -","- C14 H14 Ca0.694 O8 Sr0.306 -","- C56 H56 Ca2.776 O32 Sr1.224 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0257","0.0238","","","0.055","0.0559","","","","","","1.107","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020888","16.5994","0.001","11.4832","0.0006","7.765","0.0005","90","","91.555","0.005","90","","1479.57","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.47 O8 Sr0.53 -","- C14 H14 Ca0.471 O8 Sr0.529 -","- C56 H56 Ca1.884 O32 Sr2.116 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0316","0.027","","","0.0566","0.0581","","","","","","1.117","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020889","16.6319","0.0006","11.4995","0.0004","7.7729","0.0003","90","","91.599","0.004","90","","1486.05","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.37 O8 Sr0.63 -","- C14 H14 Ca0.368 O8 Sr0.632 -","- C56 H56 Ca1.472 O32 Sr2.528 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0228","0.0208","","","0.0512","0.0522","","","","","","1.061","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020890","16.665","0.0011","11.4816","0.0007","7.8105","0.0005","90","","91.576","0.006","90","","1493.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.21 O8 Sr0.79 -","- C14 H14 Ca0.211 O8 Sr0.789 -","- C56 H56 Ca0.844 O32 Sr3.156 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0277","0.0243","","","0.0522","0.0535","","","","","","1.06","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020891","16.6693","0.0009","11.4865","0.0007","7.8446","0.0004","90","","91.51","0.005","90","","1501.5","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.17 O8 Sr0.83 -","- C14 H14 Ca0.165 O8 Sr0.835 -","- C56 H56 Ca0.66 O32 Sr3.34 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0322","0.0274","","","0.0625","0.0645","","","","","","1.075","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020892","16.7182","0.0006","11.4644","0.0004","7.8627","0.0003","90","","91.66","0.003","90","","1506.37","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquastrontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 O8 Sr -","- C14 H14 O8 Sr -","- C56 H56 O32 Sr4 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","1.5418","CuKα","","0.0276","0.0273","","","0.073","0.0732","","","","","","1.172","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020893","16.8381","0.0007","11.4349","0.0005","7.9433","0.0003","90","","91.28","0.004","90","","1529.04","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabarium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ba0.27 O8 Sr0.73 -","- C14 H14 Ba0.271 O8 Sr0.729 -","- C56 H56 Ba1.084 O32 Sr2.916 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0227","0.0207","","","0.0434","0.0439","","","","","","1.171","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020894","12.6989","0.0004","13.0236","0.0006","14.1585","0.0005","90","","90","","90","","2341.61","0.15","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-Methylenedihydrazinecarboximidamide dinitrate","2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate","","- C3 H14 N10 O6 -","- C3 H14 N10 O6 -","- C24 H112 N80 O48 -","8","1","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.0832","0.0518","","","0.1003","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020895","8.4242","0.0001","10.0515","0.0002","13.1557","0.0002","90","","90","","90","","1113.97","0.03","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","1,2-Bis(diaminomethylidene)hydrazine-1,2-diium tetrachloridocuprate(II)","","- C2 H10 Cl4 Cu N6 -","- C2 H10 Cl4 Cu N6 -","- C8 H40 Cl16 Cu4 N24 -","4","0.5","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.026","0.0239","","","0.0605","0.0613","","","","","","1.177","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020899","4.5031","0.0011","6.586","0.0016","10.572","0.003","90","","96.54","0.006","90","","311.5","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Adiponitrile","Hexane-1,6-dinitrile","","- C6 H8 N2 -","- C6 H8 N2 -","- C12 H16 N4 -","2","0.5","SK3672","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Adiponitrile at 100K","Acta Crystallographica Section C","2017","73","11","937","940","10.1107/S2053229617014620","","","1.54178","CuKα","","0.0456","0.0453","","","0.1305","0.1309","","","","","","1.141","","","","has coordinates,has Fobs","205302","2020-10-21","18:00:00",""
"2020900","8.4341","0.0002","8.6991","0.0002","10.1083","0.0002","91.249","0.002","113.506","0.002","110.292","0.002","626.74","0.03","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>'-(pyridin-2-yl)thiourea","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","1.54184","CuKα","","0.0337","0.033","","","0.0835","0.0838","","","","","","1.109","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020901","18.1534","0.0004","7.1814","0.0001","21.8523","0.0004","90","","90","","90","","2848.82","0.09","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate","","- C26 H24 Cu N8 O9 S2 -","- C26 H24 Cu N8 O9 S2 -","- C104 H96 Cu4 N32 O36 S8 -","4","0.5","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0497","0.0497","","","0.1052","0.1052","","","","","","1.335","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020902","10.0052","0.0001","12.594","0.0002","12.9412","0.0001","111.867","0.001","97.271","0.001","99.755","0.001","1459.04","0.03","110","2","110.15","","","","","","","","","7","P -1","-P 1","2","","Bis{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]pyridin-1-ium} dichloridogold(I) chloride monohydrate","","- C26 H26 Au Cl3 N6 O3 S2 -","- C26 H26 Au Cl3 N6 O3 S2 -","- C52 H52 Au2 Cl6 N12 O6 S4 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0185","0.0182","","","0.0408","0.0408","","","","","","1.209","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020903","12.0312","0.0006","16.1528","0.0008","8.1007","0.0004","90","","107.295","0.006","90","","1503.09","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium [2-methoxy-4-(prop-2-en-1-yl)phenol]trichloridoplatinate","","- C10 H12 Cl3 K O2 Pt -","- C10 H12 Cl3 K O2 Pt -","- C40 H48 Cl12 K4 O8 Pt4 -","4","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0245","0.0227","","","0.0411","0.0417","","","","","","1.197","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020904","8.1313","0.0003","11.296","0.0005","11.4294","0.0007","88.793","0.004","76.567","0.004","70.219","0.004","958.93","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,7-dichloroquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)[η^2^-2-methoxy4-(prop-2-en-1-yl)phenol]platinum(II)","","- C19 H16 Cl3 N O3 Pt -","- C19 H16 Cl3 N O3 Pt -","- C38 H32 Cl6 N2 O6 Pt2 -","2","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0411","0.0359","","","0.0841","0.0882","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020905","7.1226","0.0014","9.0134","0.0018","9.1203","0.0018","103.16","0.03","107.48","0.03","106.69","0.03","502.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-1,2,4-triazol-4-ide-3-carboxylato)-κ^3^<i>N</i>^2^,<i>O</i>:<i>N</i>^1^;κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>O</i>-bis[triamminenickel(II)] tetrahydrate","","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","1","0.5","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0294","0.0275","","","0.07","0.0711","","","","","","1.06","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020906","7.2183","0.0014","7.4079","0.0015","9.887","0.002","72.45","0.03","68.82","0.03","62.74","0.03","432.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diamminediaquacopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^1^:<i>N</i>^4^,<i>O</i>-[diamminecopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^4^,<i>O</i>:<i>N</i>^1^] dihydrate]","","- C3 H11 Cu N5 O4 -","- C3 H11 Cu N5 O4 -","- C6 H22 Cu2 N10 O8 -","2","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0576","0.0521","","","0.1392","0.145","","","","","","1.036","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020907","7.0765","0.0014","12.676","0.003","20.591","0.004","90","","98.7","0.03","90","","1825.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate","","- C3 H29 Co2 N11 O11 -","- C3 H29 Co2 N11 O11 -","- C12 H116 Co8 N44 O44 -","4","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020908","11.5305","0.0006","8.2823","0.0004","11.502","0.0006","90","","118.304","0.007","90","","967.11","0.11","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4,5-Triflurophenylboronic acid‒urea (1/1)","3,4,5-Triflurophenylboronic acid‒carbonic diamide (1/1)","","- C7 H8 B F3 N2 O3 -","- C7 H8 B F3 N2 O3 -","- C28 H32 B4 F12 N8 O12 -","4","1","LY3050","Kopczyńska, Karolina; Marek, Paulina H.; Banaś, Bartłomiej; Madura, Izabela D.","Synthon preference in the cocrystal of 3,4,5-trifluorophenylboronic acid with urea","Acta Crystallographica Section C","2017","73","11","889","895","10.1107/S2053229617013675","","","1.54184","CuKα","","0.0451","0.0341","","","0.0827","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","205308","2020-10-21","18:00:00",""
"2020909","2.5408","0.0003","2.5408","0.0003","7.5989","0.0009","90","","90","","120","","42.484","0.009","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","Lithium boron tricarbide","","- C3 B Li0.96 -","- C3 B Li0.98 -","- C3 B Li0.98 -","1","0.0833333","","Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut","LiBC~3~: a new borocarbide based on graphene and heterographene networks","Acta Crystallographica Section C","2017","73","11","984","989","10.1107/S2053229617015182","","","0.71073","MoKα","","0.0348","0.0323","","","0.0959","0.0984","","","","","","1.231","","","","has coordinates,has Fobs","205309","2020-10-21","18:00:00",""
"2020910","8.596","","11.217","","15.161","","92.88","","104.12","","91.19","","1415.06","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C48 H34 Cl4 F6 N6 O12 Re2 S4 -","2","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0204","","","0.0508","0.0514","","","","","","1.035","","","","has coordinates","205310","2020-10-21","18:00:00",""
"2020911","12.814","0.003","12.088","0.002","18.248","0.004","90","","96.56","0.03","90","","2808","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate 0.28-hydrate","","- C27 H17 F3 N3 O6.28 Re S2 -","- C27.001 H17 F3.003 N3 O6.282 Re S2.001 -","- C108.004 H68 F12.012 N12 O25.128 Re4 S8.004 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0598","0.0424","","","0.0978","0.1042","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020912","12.398","0.002","12.878","0.003","15.393","0.003","90","0.03","91.83","0.03","90","0.03","2456.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C23 H15 F3 N3 O6 Re S -","- C23 H15 F3 N3 O6 Re S -","- C92 H60 F12 N12 O24 Re4 S4 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0188","","","0.0447","0.046","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020913","10.5928","0.0005","10.7082","0.0005","12.4943","0.0006","69.019","0.004","71.705","0.004","88.11","0.003","1251.32","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C25 H17 Cu F6 N O5 -","- C25 H17 Cu F6 N O5 -","- C50 H34 Cu2 F12 N2 O10 -","2","1","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.109","0.0517","","","0.0993","0.1182","","","","","","0.986","","","","has coordinates,has Fobs","205311","2020-10-21","18:00:00",""
"2020914","10.0085","0.0003","14.154","0.0005","11.2503","0.0003","90","","110.022","0.004","90","","1497.4","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyridin-3-ol-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O6 -","- C30 H22 Cu F6 N2 O6 -","- C60 H44 Cu2 F12 N4 O12 -","2","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","1.54184","CuKα","","0.0546","0.048","","","0.1412","0.1493","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020915","7.595","0.0003","9.6764","0.0004","10.7507","0.0004","108.71","0.002","101.727","0.002","93.65","0.002","725.61","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-hydroxypyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","1","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.041","0.0328","","","0.0808","0.086","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020916","7.3585","0.0015","8.796","0.0018","17.619","0.003","79.56","0.03","84.69","0.03","78.96","0.03","1098.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[benzyltriethylammonium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C19 H22 Cd N10 -","- C19 H22 Cd N10 -","- C38 H44 Cd2 N20 -","2","1","CU3115","Lu, Yang; Liao, Wei-Qiang; Hua, Xiu-Ni","A new two-dimensional polymeric cadmium(II) complex containing dicyanamide bridging ligands","Acta Crystallographica Section C","2017","73","11","885","888","10.1107/S2053229617013614","","","0.71073","MoKα","","0.0858","0.0442","","","0.0823","0.0946","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205312","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020919","14.294","0.0007","11.448","0.0006","16.112","0.0009","90","","110.158","0.003","90","","2475","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0833","0.0514","","","0.1122","0.1282","","","","","","1.039","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020920","9.3874","0.0004","10.5102","0.0004","15.4295","0.0006","71.167","0.001","83.335","0.002","87.73","0.001","1431.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-5-chloro-2,4-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0371","0.0322","","","0.0771","0.0812","","","","","","1.068","","","","has coordinates,has Fobs","205314","2020-10-21","18:00:00",""
"2020921","24.7483","0.0012","6.9525","0.0003","18.1423","0.0008","90","","111.5","0.003","90","","2904.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C104 H104 Cl16 N24 O24 -","8","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0427","0.0384","","","0.1009","0.1038","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020922","6.7335","0.0003","7.6307","0.0004","25.0638","0.001","90","","93.928","0.004","90","","1284.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-dimethoxypyrimidin-1ium thiophene-2-carboxylate","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","0.71073","MoKα","","0.0715","0.0474","","","0.1063","0.1193","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020923","12.2643","0.0001","12.2643","0.0001","12.2643","0.0001","90","","90","","90","","1844.71","0.03","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tricaesium lithium dizinc tetrakis(tetraoxotungstate)","","- Cs3 Li O16 W4 Zn2 -","- Cs3 Li0.99 O16 W4 Zn2.01 -","- Cs12 Li3.96 O64 W16 Zn8.04 -","4","0.0833333","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0181","0.0176","","","0.0345","0.0346","","","","","","1.388","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020924","11.8635","0.0003","11.8635","0.0003","11.8932","0.0004","90","","90","","90","","1673.88","0.08","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tricaesium dilithium gallium tetrakis(tetraoxomolybdate)","","- Ga Li2 Mo4 O16 Rb3 -","- Ga Li2 Mo4 O16 Rb3 -","- Ga4 Li8 Mo16 O64 Rb12 -","4","0.25","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0234","0.0217","","","0.056","0.0564","","","","","","1.07","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020925","12.519","0.003","12.594","0.003","19.975","0.004","80.12","0.03","89.69","0.03","68.02","0.03","2871.2","1.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","3-(2<i>H</i>-1,3-Benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-4<i>H</i>,8<i>H</i>-pyrano[2,3-<i>h</i>]chromen-4-one‒ (2<i>E</i>)-1-(4-{[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one‒ethanol (2/1/0.13)","","- C69.27 H64.81 O16.14 -","- C69.2692 H64.8076 O16.1346 -","- C138.538 H129.615 O32.2692 -","2","1","QS3066","Vinokur, Anastasiya I.; White, Paul B.; Fotsing, Maurice Tagatsing; Arderne, Charmaine; Ndinteh, Derek Tantoh; Vestling, Martha M.; Guzei, Ilia A.","Deciphering composition and connectivity of a natural product with the assistance of MS and 2D NMR","Acta Crystallographica Section C","2017","73","11","994","1002","10.1107/S2053229617014966","","","0.71073","MoKα","","0.102","0.0572","","","0.1411","0.1646","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205316","2020-10-21","18:00:00",""
"2020926","11.96","0.004","9.025","0.003","14.981","0.004","90","","96.768","0.006","90","","1605.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-(5-Bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[<i>b</i>]oxepin-5(2<i>H</i>)-one","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","SK3671","Li, Ning; Yao, Binrong; Wang, Chunhua; Meng, Qingguo; Hou, Guige","Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2<i>H</i>)-one derivatives as protein‒tyrosine kinase (PTK) inhibitors","Acta Crystallographica Section C","2017","73","11","1003","1009","10.1107/S2053229617015145","","","0.71073","MoKα","","0.0636","0.0383","","","0.0838","0.0941","","","","","","1.022","","","","has coordinates,has Fobs","205317","2020-10-21","18:00:00",""
"2020927","5.4784","0.0005","5.9139","0.0006","30.379","0.003","90","","92.54","0.007","90","","983.27","0.17","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sodium (4-fluorophenoxy)acetate dihydrate","Poly[μ-aqua-aqua-μ-[2-(4-fluorophenoxy)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-sodium]","","- C8 H10 F Na O5 -","- C8 H10 F Na O5 -","- C32 H40 F4 Na4 O20 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0916","0.0636","","","0.1273","0.1426","","","","","","1.087","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020928","18.3542","0.0015","6.9466","0.0008","6.5969","0.0005","90","","92.995","0.007","90","","839.95","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-potassium]","","- C8 H6 F K O3 -","- C8 H6 F K O3 -","- C32 H24 F4 K4 O12 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0961","0.0805","","","0.1911","0.1987","","","","","","1.204","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020929","18.0011","0.0016","7.1625","0.0004","6.8548","0.0004","90","","91.995","0.007","90","","883.27","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-rubidium]","","- C8 H6 F O3 Rb -","- C8 H6 F O3 Rb -","- C32 H24 F4 O12 Rb4 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0731","0.0507","","","0.092","0.1009","","","","","","0.968","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020930","8.4981","0.0017","17.669","0.004","12.658","0.003","90","","100.95","0.03","90","","1866","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(3,5-dicarboxybenzene-1-carboxylato-κ<i>O</i>^1^)silver(I)]-μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']","","- C21 H15 Ag N2 O6 -","- C21 H15 Ag N2 O6 -","- C84 H60 Ag4 N8 O24 -","4","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0314","0.0267","","","0.0667","0.0692","","","","","","1.08","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020931","9.4176","0.0019","9.861","0.002","12.269","0.003","91.11","0.03","103.34","0.03","117.23","0.03","975.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3^)[μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^4^<i>N</i>:<i>N</i>']cadmium(II)] monohydrate]","","- C21 H16 Cd N2 O7 -","- C21 H16 Cd N2 O7 -","- C42 H32 Cd2 N4 O14 -","2","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0213","0.0202","","","0.0498","0.0508","","","","","","1.135","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020932","16.2905","0.0005","6.751","0.0002","18.9112","0.0006","90","","98.2024","0.0011","90","","2058.52","0.11","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine","","- C19 H35 N P2 -","- C19 H35 N P2 -","- C76 H140 N4 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0429","0.0345","","","0.0889","0.0959","","","","","","1.023","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020933","8.2907","0.0001","10.7222","0.0002","13.6434","0.0002","87.0826","0.0006","80.8448","0.0006","75.7315","0.0006","1160.35","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}dichloridoiron(II)","","- C19 H35 Cl2 Fe N P2 -","- C19 H35 Cl2 Fe N P2 -","- C38 H70 Cl4 Fe2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0282","0.0254","","","0.0673","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020934","8.2603","0.0002","10.722","0.0003","13.6314","0.0003","86.8728","0.001","80.5491","0.001","75.6607","0.001","1153.68","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}Dichloridocobalt(II)","","- C19 H35 Cl2 Co N P2 -","- C19 H35 Cl2 Co N P2 -","- C38 H70 Cl4 Co2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0351","0.0292","","","0.0719","0.076","","","","","","1.036","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020935","10.6732","0.0005","15.6935","0.0008","15.1651","0.0007","90","","96.0732","0.0008","90","","2525.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-\ κ^2^<i>P</i>,<i>P</i>'}bromidotricarbonylmanganese(I)","","- C22 H35 Br Mn N O3 P2 -","- C22 H35 Br Mn N O3 P2 -","- C88 H140 Br4 Mn4 N4 O12 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0277","0.025","","","0.0643","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020936","8.7119","0.0017","10.318","0.002","10.961","0.002","83.47","0.03","82.91","0.03","84.71","0.03","968.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-adipato-κ^2^<i>O</i>^1^:<i>O</i>^4^-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^-diaquabis[μ-1,4-bis(pyridin-4-yl)-1,3-butadiene-κ^2^<i>N</i>:<i>N</i>']dicadmium]","","- C20 H22 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C40 H44 Cd2 N4 O10 -","2","1","YP3147","Hou, Yi-Xuan; Liu, Dong","A three-dimensional supramolecular framework based on the interlinkage of an interpenetrating diamondoid coordination network","Acta Crystallographica Section C","2017","73","11","869","873","10.1107/S2053229617013560","","","0.71073","MoKα","","0.0301","0.0284","","","0.075","0.0757","","","","","","1.16","","","","has coordinates,has Fobs","205321","2020-10-21","18:00:00",""
"2020937","10.264","0.002","12.066","0.003","13.382","0.003","98.7061","0.0014","110.591","0.0015","113.591","0.0016","1336.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-{<i>N</i>-[(Anthracen-9-yl)methyl]ethane-1,2-diamine}bis(pyridine-\ κ<i>N</i>)platinum(II) dinitrate","","- C27 H28 N6 O6 Pt -","- C27 H28 N6 O6 Pt -","- C54 H56 N12 O12 Pt2 -","2","1","QS3062","Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira","Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate","Acta Crystallographica Section C","2017","73","11","975","978","10.1107/S2053229617014255","","","0.7107","MoKα","","0.0228","0.0213","","","0.05","0.0503","","","","","","1.041","","","","has coordinates,has Fobs","205322","2020-10-21","18:00:00",""
"2020938","12.3459","0.0006","15.9301","0.0008","14.7454","0.0007","90","","90","","90","","2900","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]","","- C11 H7 Co Cu4 N26 O -","- C11 H5 Co Cu4 N26 -","- C44 H20 Co4 Cu16 N104 -","4","0.5","LF3061","Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong","A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties","Acta Crystallographica Section C","2017","73","11","968","974","10.1107/S2053229617014760","","","0.71073","MoKα","","0.0709","0.0548","","","0.1628","0.1762","","","","","","1.12","","","","has coordinates,has Fobs","205323","2020-10-21","18:00:00",""
"2020939","8.8133","0.0019","11.8","0.003","15.404","0.003","96.363","0.005","93.886","0.005","105.518","0.005","1526.1","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cu monomer","Aqua(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(trifluoromethanesulfonato-κ<i>O</i>)copper(II) tetrahydrofuran monosolvate","","- C25 H29 Cu F6 N3 O8 S2 -","- C25 H29 Cu F6 N3 O8 S2 -","- C50 H58 Cu2 F12 N6 O16 S4 -","2","1","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1262","0.0554","","","0.0913","0.1069","","","","","","0.725","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020940","8.8793","0.0005","10.5542","0.0006","14.162","0.0008","103.357","0.001","94.115","0.001","102.742","0.001","1248.9","0.12","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Cu dimer","Bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')bis[(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","1","0.5","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1293","0.0717","","","0.1595","0.2585","","","","","","1.161","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020941","12.231","0.006","3.919","0.002","17.968","0.009","90","","92.949","0.009","90","","860.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[amino(hydrazinyl)methylidene]azanium 5,5'-[1,2,4,5-tetrazine-3,6-diylbis(azanediyl)]bis(1<i>H</i>-1,2,3,4-tetrazol-1-ide) dihydrate","","- C6 H20 N22 O2 -","- C6 H20 N22 O2 -","- C12 H40 N44 O4 -","2","0.5","QS3063","Liu, Qing; Chen, Xiang; Cao, Wenli; Yang, Jin; Zhang, Wenhui; Ren, Yinghui; Ma, Haixia; Zhao, Fengqi; Hu, Rongzu","The synthesis, crystal structure and thermal properties of an energetic compound: the hydrated azanium salt of 3,6-bis[(1<i>H</i>-1,2,3,4-tetrazol-5-yl)amino]-1,2,4,5-tetrazine","Acta Crystallographica Section C","2017","73","11","941","945","10.1107/S2053229617014267","","","0.71073","MoKα","","0.0923","0.0574","","","0.1638","0.1817","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","205325","2020-10-21","18:00:00",""
"2020942","20.0932","0.0009","7.1128","0.0003","10.4548","0.0004","90","","96.857","0.001","90","","1483.5","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^:<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)]","","- C12 H10 Cd N6 O6 -","- C12 H10 Cd N6 O6 -","- C48 H40 Cd4 N24 O24 -","4","0.5","EG3232","Meng, Li; Zhu, Miao-Li; Lu, Li-Ping","Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalate","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000025","","","0.71073","MoKα","","0.0172","0.0156","","","0.0379","0.0386","","","","","","1.102","","","","has coordinates,has Fobs","205352","2020-10-21","18:00:00",""
"2020943","23.3641","0.0008","10.0825","0.0003","21.4524","0.0007","90","","115.885","0.001","90","","4546.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-4-(2-Allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C224 H224 N16 O16 -","8","2","YF3132","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A versatile synthesis of cyclic dipeptides using the stepwise construction of the piperazine-2,5-dione ring from simple precursors: synthetic sequence and the structure of a representative product, (3<i>RS</i>)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000037","","","0.71073","MoKα","","0.0787","0.049","","","0.1034","0.1173","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","205353","2020-10-21","18:00:00",""
"2020944","3.761","0.0003","13.2538","0.0009","18.8657","0.0019","90","","91.226","0.009","90","","940.19","0.14","105.6","","105.6","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Bis(1,3-diazaazulen-2-yl)benzene","2-[4-(Cyclohepta[<i>d</i>]imidazol-2-yl)phenyl]cyclohepta[<i>d</i>]imidazole","","- C22 H14 N4 -","- C22 H14 N4 -","- C44 H28 N8 -","2","0.5","LF3067","Sun, Peili; Zhang, Zongyao; Luo, Hongxia; Zhang, Pu; Qin, Yujun; Guo, Zhi-Xin","Synthesis, crystal structure and photophysical properties of 1,4-bis(1,3-diazaazulen-2-yl)benzene: a new π building block","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018459","","","0.7107","MoKα","","0.0694","0.0535","","","0.1457","0.1551","","","","","","1.062","","","","has coordinates,has Fobs","205354","2020-10-21","18:00:00",""
"2020945","13.771","0.0004","13.9822","0.0004","14.7181","0.0005","81.074","0.003","79.523","0.003","73.152","0.003","2651.24","0.15","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquatetrakis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]-μ~2~-4,4'-(propane-1,3-dyl)dipyridine-κ^2^<i>N</i>:<i>N</i>'] dimethyl sulfoxide hemisolvate]","","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C84 H70 Ag8 N12 O19 S17 -","2","1","","Dennehy, Mariana; Amo-Ochoa, Pilar; Freire, Eleonora; Suárez, Sebastián; Halac, Emilia; Baggio, Ricardo","Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000128","","","0.71073","MoKα","","0.1021","0.0558","","","0.1294","0.158","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","205400","2020-10-21","18:00:00",""
"2020946","4.9216","0.0003","8.5949","0.0006","12.1187","0.0007","108.61","0.006","97.243","0.005","92.752","0.005","479.82","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","Beta-alanine-DL-tartaric acid (1:1) (III)","Beta-alanine-DL-tartaric acid (1:1) (III)","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0499","0.0397","","","0.0968","0.1066","","","","","","1.04","","","","has coordinates","205401","2020-10-21","18:00:00",""
"2020947","4.9336","0.0002","10.0324","0.0007","11.3232","0.0007","103.464","0.006","94.31","0.005","99.766","0.005","533.29","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","","- C8 H15 N O8 -","- C8 H15 N O8 -","- C16 H30 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0401","0.0338","","","0.0818","0.0855","","","","","","1.031","","","","has coordinates,has disorder","205401","2020-10-21","18:00:00",""
"2020948","14.444","0.004","17.342","0.004","19.351","0.005","68.318","0.004","70.484","0.003","75.994","0.003","4206.4","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaquapentakis[μ-5,5'-bis(pyridin-4-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(μ~3~-4,4'-oxydibenzoato)-κ^10^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''';κ^6^<i>O</i>:<i>O</i>':<i>O</i>''-pentacadmium(II)]","","- C152 H110 Cd5 N14 O30 S10 -","- C146 H96 Cd5 N12 O28 S10 -","- C146 H96 Cd5 N12 O28 S10 -","1","0.5","LF3063","Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang","A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001006","","","0.71073","MoKα","","0.0808","0.0437","","","0.0911","0.0998","","","","","","1.017","","","","has coordinates,has Fobs","205531","2020-10-21","18:00:00",""
"2020949","9.7868","0.0009","13.9567","0.0012","13.3764","0.0011","90","","101.816","0.002","90","","1788.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H16 Cl N O2 S -","- C20 H16 Cl N O2 S -","- C80 H64 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1017","0.0447","","","0.1007","0.1307","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020950","10.7264","0.0006","9.1208","0.0005","22.9103","0.0015","90","","94.414","0.002","90","","2234.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-4-phenylbenzamide","","- C26 H20 Cl N O2 S -","- C26 H20 Cl N O2 S -","- C104 H80 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0767","0.0468","","","0.1096","0.1295","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020951","18.8096","0.001","11.5021","0.0007","19.9112","0.0011","90","","118.03","0.002","90","","3802.5","0.4","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-Bromo-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H15 Br Cl N O2 S -","- C20 H15 Br Cl N O2 S -","- C160 H120 Br8 Cl8 N8 O16 S8 -","8","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0952","0.0446","","","0.101","0.1222","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020952","8.1813","0.0006","11.8276","0.0007","20.1347","0.0012","90","","94.388","0.002","90","","1942.6","0.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-iodobenzamide","","- C20 H15 Cl I N O2 S -","- C20 H15 Cl I N O2 S -","- C80 H60 Cl4 I4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0803","0.0446","","","0.1081","0.1278","","","","","","1.016","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020953","7.4798","0.0003","11.4237","0.0005","12.0933","0.0005","105.814","0.002","101.959","0.003","99.187","0.003","946.66","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-methoxybenzamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0939","0.0451","","","0.0985","0.1213","","","","","","1.025","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020954","58.0164","0.001","7.8002","0.0002","16.1365","0.0003","90","","92.105","0.001","90","","7297.5","0.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2,6-difluorobenzamide","","- C20 H14 Cl F2 N O2 S -","- C20 H14 Cl F2 N O2 S -","- C320 H224 Cl16 F32 N16 O32 S16 -","16","2","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","1.54178","CuKα","","0.119","0.0659","","","0.1349","0.1587","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020955","8.1296","0.0006","9.5899","0.0006","10.8824","0.0008","66.84","0.004","71.533","0.004","71.35","0.004","721.1","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Benzotriazol-1-yl 3,4-dimethoxybenzoate","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1064","0.0519","","","0.1241","0.1561","","","","","","1.029","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020956","6.0838","0.0008","9.3592","0.0013","6.0632","0.0009","90","","113.543","0.003","90","","316.5","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium chloride dihydrate","","- Cl H4 Li O2 -","- Cl H4 Li O2 -","- Cl4 H16 Li4 O8 -","4","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0152","0.0147","","","0.0372","0.0374","","","","","","1.087","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020957","5.3001","0.0011","6.397","0.0019","6.406","0.0015","63.694","0.01","82.044","0.007","65.567","0.005","177","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Lithium bromide dihydrate","","- Br H4 Li O2 -","- Br H4 Li O2 -","- Br2 H8 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0391","0.0364","","","0.0956","0.0968","","","","","","1.011","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020958","5.454","0.003","6.842","0.002","6.97","0.002","61.9","0.11","80.72","0.12","67.02","0.13","211.1","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","Lithium iodide dihydrate","","- H4 I Li O2 -","- H4 I Li O2 -","- H8 I2 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0782","0.0772","","","0.2161","0.2174","","","","","","1.168","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020959","7.1626","0.0011","10.351","0.002","5.6038","0.0008","90","","90","","90","","415.47","0.12","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium chloride trihydrate","","- Cl H6 Li O3 -","- Cl H6 Li O3 -","- Cl4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0141","0.0127","","","0.0326","0.0334","","","","","","1.024","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020960","7.2785","0.0017","11.088","0.003","5.687","0.002","90","","90","","90","","459","0.2","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium bromide trihydrate","","- Br H6 Li O3 -","- Br H6 Li O3 -","- Br4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0278","0.0275","","","0.0728","0.073","","","","","","1.019","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020961","7.461","0.0018","7.461","0.0018","5.459","0.003","90","","90","","120","","263.17","0.17","250","2","250","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium iodide trihydrate","","- H6 I Li O3 -","- H6 I Li O3 -","- H12 I2 Li2 O6 -","2","0.0833333","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0162","0.015","","","0.0378","0.038","","","","","","1.066","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020962","6.247","0.002","9.232","0.004","11.677","0.005","88.34","0.03","77.53","0.03","70.77","0.03","620.2","0.4","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium chloride pentahydrate","","- Cl H10 Li O5 -","- Cl H10 Li O5 -","- Cl4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0605","0.0585","","","0.16","0.1626","","","","","","1.013","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020963","6.353","0.002","9.453","0.004","11.954","0.005","89.15","0.03","77.53","0.03","71.69","0.03","664.4","0.5","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium bromide pentahydrate","","- Br H10 Li O5 -","- Br H10 Li O5 -","- Br4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0325","0.0254","","","0.0648","0.0711","","","","","","1.001","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020964","10.1425","0.0005","16.1771","0.0007","24.5865","0.0011","106.98","0.001","99.453","0.001","96.998","0.001","3743.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BINAP + dithio","Bis(μ-naphthalene-2-thiolato-κ^2^<i>S</i>:<i>S</i>)bis(tricarbonyliron)(<i>Fe</i>—<i>Fe</i>)","","- C26 H14 Fe2 O6 S2 -","- C26 H14 Fe2 O6 S2 -","- C156 H84 Fe12 O36 S12 -","6","3","FN3252","Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan","Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000712","","","0.71073","MoKα","","0.059","0.0429","","","0.1046","0.114","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","205534","2020-10-21","18:00:00",""
"2020965","18.4485","0.0004","11.6452","0.0003","19.5931","0.0005","90","","90","","90","","4209.31","0.18","130","4","130","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C216 H192 N16 O16 -","8","1","FN3256","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","0.71073","MoKα","","0.0436","0.0374","","","0.0889","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","205535","2020-10-21","18:00:00",""
"2020966","10.281","0.0002","23.5073","0.0005","12.3557","0.0002","90","","95.674","0.002","90","","2971.48","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-9,9-bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene-κ^3^<i>N</i>:<i>N</i>':<i>O<i>]bis(methanol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)] methanol disolvate]","","- C30 H36 N2 Ni O9 S -","- C30 H36 N2 Ni O9 S -","- C120 H144 N8 Ni4 O36 S4 -","4","1","","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","1.54184","CuKα","","0.0453","0.0373","","","0.0947","0.1011","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205535","2020-10-21","18:00:00",""
"2020967","9.0137","0.0004","10.608","0.0006","11.8132","0.0006","84.941","0.003","85.798","0.002","69.408","0.002","1052.18","0.09","296","","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dihydroxybenzoate methanol monosolvate","","- C20 H23 Cl N4 O5 -","- C20 H23 Cl N4 O5 -","- C40 H46 Cl2 N8 O10 -","2","1","LY3057","Faroque, Muhammad Umer; Noureen, Sajida; Ahmed, Maqsood; Tahir, Muhammad Nawaz","Electrostatic properties of the pyrimethamine‒2,4-dihydroxybenzoic acid cocrystal in methanol studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","1","100","107","10.1107/S2053229617017788","","","0.71073","MoKα","","0.0448","0.0315","","","0.0569","0.0609","","","","","","1.022","","","","has coordinates,has Fobs","205699","2020-10-21","18:00:00",""
"2020968","15.9489","0.0011","7.2739","0.0004","15.9222","0.001","90","","95.813","0.004","90","","1837.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-3-fluorobenzamide","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.0911","0.0463","","","0.1007","0.1224","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020969","11.6776","0.0006","14.2461","0.0008","12.2957","0.0007","90","","109.336","0.002","90","","1930.13","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-4-chlorobenzamide","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1034","0.0472","","","0.1074","0.142","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020970","7.6718","0.0003","9.8833","0.0003","13.5925","0.0005","104.925","0.004","95.476","0.002","103.633","0.003","954.32","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-2,6-difluorobenzamide","","- C22 H17 F2 N O2 S -","- C22 H17 F2 N O2 S -","- C44 H34 F4 N2 O4 S2 -","2","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.082","0.0411","","","0.0876","0.1078","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020971","8.5129","0.0009","12.923","0.0014","19.031","0.002","96.811","0.005","102.665","0.006","105.321","0.005","1935.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-2-methoxybenzamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1271","0.0519","","","0.1167","0.1509","","","","","","0.973","","","","has coordinates,has Fobs","205700","2020-10-21","18:00:00",""
"2020972","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.7107","MoKα","","0.0442","0.0361","","","0.0814","0.0864","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020973","7.7255","0.0009","9.1381","0.0014","12.4594","0.0017","92.241","0.011","104.034","0.01","97.248","0.011","844.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/2)","","- C13 H18 N10 O S -","- C13 H18 N10 O S -","- C26 H36 N20 O2 S2 -","2","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.044","0.0354","","","0.0897","0.0928","","","","","","1.037","","","","has coordinates,has Fobs","205703","2020-10-21","18:00:00",""
"2020974","10.0743","0.001","14.383","0.001","18.647","0.002","90","","100.427","0.008","90","","2657.3","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C21 H31 N13 O3 S2 -","- C21 H31 N13 O3 S2 -","- C84 H124 N52 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0426","0.0366","","","0.0884","0.0908","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020975","11.1237","0.0013","19.5259","0.0014","16.7313","0.0016","90","","100.9","0.008","90","","3568.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Methyl-2-thiouracil‒2,4-diamino-6-phenyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C15.5 H18.5 N7.5 O1.5 S -","- C15.5 H18.5 N7.5 O1.5 S -","- C124 H148 N60 O12 S8 -","8","2","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.111","0.0527","","","0.0866","0.1003","","","","","","0.894","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2020976","22.573","0.003","9.1593","0.0012","13.9211","0.0016","90","","98.701","0.01","90","","2845.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C21 H31 N13 O5 S2 -","- C21 H31 N13 O5 S2 -","- C84 H124 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0771","0.0503","","","0.1061","0.1158","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020977","23.53","0.003","8.7478","0.0009","14.2006","0.0016","90","","102.037","0.01","90","","2858.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒<i>N</i>,<i>N</i>-dimethylacetamide (2/2/1)","","- C22 H33 N13 O5 S2 -","- C22 H33 N13 O5 S2 -","- C88 H132 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0855","0.0467","","","0.0796","0.0887","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020978","17.6827","0.0007","17.6827","0.0007","16.4925","0.0009","90","","90","","120","","4466","0.3","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","5-Methyl-2-thiouracil‒melamine (3/2)","","- C21 H30 N18 O3 S3 -","- C21 H30 N18 O3 S3 -","- C126 H180 N108 O18 S18 -","6","","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0367","0.0359","","","0.0935","0.0943","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020979","12.992","0.005","12.399","0.005","23.385","0.009","90","","92.81","0.013","90","","3763","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^-Bis[2,6-bis(propan-2-yl)phenyl]butane-2,3-diamine","","- C28 H44 N2 -","- C28 H44 N2 -","- C168 H264 N12 -","6","1.5","YP3148","Dolinar, Brian S.; Samedov, Kerim; Maloney, Andrew G. P.; West, Robert; Khrustalev, Victor N.; Guzei, Ilia A.","A chiral diamine: practical implications of a three-stereoisomer cocrystallization","Acta Crystallographica Section C","2018","74","1","54","61","10.1107/S2053229617017168","","","0.71073","MoKα","","0.0678","0.0463","","","0.1029","0.113","","","","","","1.063","","","","has coordinates,has Fobs","205704","2020-10-21","18:00:00",""
"2020980","18.931","0.0013","12.4391","0.0006","21.78","0.0011","90","","98.012","0.005","90","","5078.8","0.5","171.6","","171.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris[μ-diphenyl(pyridin-2-yl)phosphane-κ^2^<i>P</i>:<i>N</i>]di-μ~3~-iodido-tricopper(I)(3 <i>Cu</i>—<i>Cu</i>) hexafluoridophosphate","","- C51 H42 Cu3 F6 I2 N3 P4 -","- C51 H42 Cu3 F6 I2 N3 P4 -","- C204 H168 Cu12 F24 I8 N12 P16 -","4","1","OV3100","Zhu, Qiu-Meng; Song, Li; Chai, Wen-Xiang; Shen, Hang-Yan; Wei, Qin-Hua; Qin, Lai-Shun","A novel luminescent ionic trinuclear Cu~3~I~2~ cluster cuprous complex supported by a P^N ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","1","62","68","10.1107/S2053229617017314","","","0.71073","MoKα","","0.0652","0.0391","","","0.0839","0.0939","","","","","","1.024","","","","has coordinates,has Fobs","205705","2020-10-21","18:00:00",""
"2020981","6.9783","0.0005","9.7631","0.0007","11.8912","0.0009","78.365","0.006","74.458","0.006","81.063","0.006","760.07","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Phenyl-2-phthalimidoethanesulfonamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0581","0.0389","","","0.0926","0.1036","","","","","","1.019","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020982","7.1547","0.0006","10.4322","0.0013","11.8228","0.0016","100.106","0.011","104.043","0.01","102.278","0.009","812.14","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Nitrophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 N3 O6 S -","- C16 H13 N3 O6 S -","- C32 H26 N6 O12 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0708","0.0439","","","0.0932","0.1051","","","","","","1.032","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020983","10.9408","0.0009","7.2555","0.0007","21.1923","0.0018","90","","99.838","0.008","90","","1657.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxyphenyl)-2-phthalimidoethanesulfonamide","","- C17 H16 N2 O5 S -","- C17 H16 N2 O5 S -","- C68 H64 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0586","0.0377","","","0.0851","0.0956","","","","","","1.062","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020984","15.356","0.003","7.4014","0.0005","25.061","0.005","90","","141.36","0.04","90","","1778.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.1442","0.0533","","","0.0901","0.1193","","","","","","0.99","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020985","8.7481","0.0003","11.9399","0.0004","16.4168","0.0007","84.921","0.003","88.623","0.003","71.161","0.003","1616.51","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) monohydrate","","- C30 H38 N10 O5 Zn -","- C30 H38 N10 O5 Zn -","- C60 H76 N20 O10 Zn2 -","2","1","YF3128","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0331","0.0312","","","0.0835","0.0849","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205707","2020-10-21","18:00:00",""
"2020986","7.087","0.0003","13.7109","0.0007","15.2483","0.0008","84.36","0.004","83.99","0.004","82.531","0.004","1455.62","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II)","","- C26 H30 N16 Zn -","- C26 H30 N16 Zn -","- C52 H60 N32 Zn2 -","2","1","","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0403","0.0333","","","0.0877","0.0932","","","","","","1.028","","","","has coordinates,has Fobs","205707","2020-10-21","18:00:00",""
"2020987","11.3338","0.0006","5.765","0.0003","13.9048","0.0008","90","","110.371","0.0011","90","","851.71","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfanilic acid dihydrate","4-Aminobenzene-1-sulfonic acid dihydrate","","- C6 H11 N O5 S -","- C6 H11 N O5 S -","- C24 H44 N4 O20 S4 -","4","1","KU3211","Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli","The ephemeral dihydrate of sulfanilic acid","Acta Crystallographica Section C","2018","74","1","7","12","10.1107/S2053229617016886","","","0.71073","MoKα","","0.0433","0.0363","","","0.0887","0.0933","","","","","","1.014","","","","has coordinates,has Fobs","205708","2020-10-21","18:00:00",""
"2020988","8.5763","0.0004","9.7305","0.0005","11.4194","0.0005","111.379","0.001","108.656","0.002","93.04","0.002","825.08","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide disolvate","","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","1","0.5","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0439","0.0343","","","0.087","0.0907","","","","","","1.047","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020989","8.9076","0.0004","25.5878","0.0011","13.6411","0.0006","90","","105.644","0.002","90","","2994","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide monosolvate","","- C28 H32 N6 O9 S3 -","- C28 H32 N6 O9 S3 -","- C112 H128 N24 O36 S12 -","4","1","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0596","0.0386","","","0.0822","0.0906","","","","","","1.029","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020990","8.8317","0.0014","24.261","0.003","6.9706","0.0014","90","","90","","90","","1493.6","0.4","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(<i>E</i>)-1-<i>tert</i>-butyl-5-[(4-chlorobenzylidene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C64 H64 Cl4 N12 -","4","0.5","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.056","0.049","","","0.1325","0.1393","","","","","","1.088","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020991","6.5428","0.0007","7.9586","0.0011","30.415","0.005","90","","92.987","0.013","90","","1581.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-<i>tert</i>-Butyl-5-[(2,4-dichlorobenzylidene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H15 Cl2 N3 -","- C16 H15 Cl2 N3 -","- C64 H60 Cl8 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0654","0.0558","","","0.1426","0.1521","","","","","","1.041","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020992","8.1494","0.0008","9.0629","0.001","9.4859","0.0009","92.465","0.008","97.113","0.008","97.136","0.009","688.61","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-<i>tert</i>-Butyl-5-[(pyridin-4-ylmethylene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C15 H16 N4 -","- C15 H16 N4 -","- C30 H32 N8 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0588","0.0526","","","0.1454","0.1513","","","","","","1.052","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020993","8.2422","0.001","9.2361","0.001","20.623","0.002","90","","98.521","0.011","90","","1552.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-<i>tert</i>-Butyl-5-[(4-chlorobenzyl)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0975","0.067","","","0.1724","0.1975","","","","","","1.12","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020994","8.97","0.0012","9.3244","0.0012","10.4645","0.0014","105.057","0.012","103.589","0.012","95.078","0.011","811","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-<i>tert</i>-Butyl-5-[(2,4-dichlorobenzyl)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H17 Cl2 N3 -","- C16 H17 Cl2 N3 -","- C32 H34 Cl4 N6 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0663","0.0499","","","0.119","0.1309","","","","","","1.023","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020995","14.0359","0.0006","13.693","0.0005","7.7026","0.0003","90","","92.754","0.004","90","","1478.68","0.1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoguanine hydrochloride","6-Amino-2-oxo-1<i>H</i>,7<i>H</i>-purin-3-ium chloride","","- C5 H6 Cl N5 O -","- C5 H6 Cl N5 O -","- C40 H48 Cl8 N40 O8 -","8","2","LY3059","Budniak, Urszula Anna; Dominiak, Paulina Maria","Molecular tapes in the structure of isoguaninium chloride","Acta Crystallographica Section C","2018","74","1","108","112","10.1107/S2053229617017685","","","1.54184","CuKα","","0.0697","0.0615","","","0.1791","0.1924","","","","","","1.058","","","","has coordinates,has Fobs","205712","2020-10-21","18:00:00",""
"2020996","13.8485","0.0007","15.0536","0.0006","16.6819","0.0009","90","","109.395","0.006","90","","3280.3","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-2,7-bis(pyridine-4-ylmethyl)benzo[<i>imn</i>][3,8]phenanthroline-1,3,6,8(2<i>H</i>,7<i>H</i>)-tetrone]bis(perchlorato)cadmium(II)] chloroform tetrasolvate]","","- C56 H36 Cd Cl14 N8 O16 -","- C56 H36 Cd Cl14 N8 O16 -","- C112 H72 Cd2 Cl28 N16 O32 -","2","1","EG3231","Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang","A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties","Acta Crystallographica Section C","2018","74","1","94","99","10.1107/S2053229617017958","","","0.71073","MoKα","","0.0613","0.0449","","","0.094","0.1003","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","205713","2020-10-21","18:00:00",""
"2020998","27.0933","0.0011","11.2988","0.0004","7.8989","0.0003","90","","90","","90","","2418.03","0.16","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)calcium(I)]","","- C30 H22 Ca N2 O4 -","- C30 H22 Ca N2 O4 -","- C120 H88 Ca4 N8 O16 -","4","0.5","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.092","0.0505","","","0.1209","0.1457","","","","","","1.041","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2020999","36.4542","0.0007","36.4542","0.0007","10.3535","0.0002","90","","90","","120","","11915.5","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(μ-3-phenylprop-2-enoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')barium(I)]","","- C30 H22 Ba N2 O4 -","- C30 H22 Ba N2 O4 -","- C540 H396 Ba18 N36 O72 -","18","1","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.0638","0.0357","","","0.0758","0.0868","","","","","","1.023","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2021000","5.9762","0.001","5.9949","0.001","14.426","0.003","90","","99.36","0.05","90","","509.96","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Strontium hafnium hexafluoride","","- F12 Hf2 Sr2 -","- F12 Hf2 Sr2 -","- F24 Hf4 Sr4 -","2","0.5","OV3104","Laval, Jean-Paul; Mayet, Richard","High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001110","","","0.7107","MoKα","","0.0199","0.0154","","","","0.0361","","","","","","1.134","","","","has coordinates,has Fobs","205948","2020-10-21","18:00:00",""
"2021002","10.8492","0.0007","14.2931","0.0007","9.8604","0.0005","90","","109.543","0.002","90","","1440.95","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>catena</i>-Poly[4-(pyridin-1-ium-4-yl)piperazin-1-ium [[(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)]-μ-oxalato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^]]","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C52 H60 Cu4 N12 O32 -","4","1","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and <i>N</i>,<i>N</i>'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0908","0.0437","","","0.0863","0.0993","","","","","","1.018","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021003","3.8486","0.0001","10.238","0.0003","10.608","0.0004","109.382","0.002","95.641","0.002","97.93","0.002","385.85","0.02","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4,4'-(Ethane-1,2-diyl)dipyridinium bis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)","","","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","1","0.5","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and <i>N</i>,<i>N</i>'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0383","0.0329","","","0.0839","0.0866","","","","","","1.042","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021004","12.3534","0.0019","12.3534","","17.433","0.003","90","","90","","90","","2660.4","0.6","200","2","200","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Octabismuth undecacalcium diindium","","- Bi8.27 Ca11 In1.73 -","- Bi8.282 Ca11 In1.718 -","- Bi33.128 Ca44 In6.872 -","4","0.125","SK3679","Ovchinnikov, Alexander; Bobev, Svilen","On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001596","","","0.71073","MoKα","","0.0585","0.0379","","","0.0717","0.0782","","","","","","1.072","","","","has coordinates,has Fobs","206448","2020-10-21","18:00:00",""
"2021005","16.3993","0.0012","12.5755","0.0011","21.2196","0.0017","90","","90","","90","","4376.1","0.6","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.24-hydrate","","- C18 H26.48 N2 O9.24 -","- C18 H26.48 N2 O9.24 -","- C144 H211.84 N16 O73.92 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021006","16.4332","0.0013","12.3817","0.0012","21.3581","0.0017","90","","90","","90","","4345.8","0.6","295","1","295","1","","","","","","","","4","P 2 2 21","P 2c 2","17","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.08-hydrate","","- C18 H26.16 N2 O9.08 -","- C18 H26.16 N2 O9.08 -","- C144 H209.28 N16 O72.64 -","8","2","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021007","7.622","0.0008","18.818","0.0011","17.4277","0.001","90","","90","","90","","2499.7","0.3","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C104 H112 N16 O40 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021008","17.4407","0.0013","9.7795","0.0009","7.0567","0.0007","90","","90","","90","","1203.6","0.19","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021009","7.8601","0.001","8.2489","0.0011","10.7883","0.0014","81.538","0.011","72.352","0.01","61.93","0.009","588.15","0.15","203","2","203","","","","","","","","","3","P -1","-P 1","2","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0687","0.0503","","","0.1233","0.1402","","","","","","1.123","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021010","13.1596","0.0007","16.2514","0.0009","4.4735","0.0002","90","","90","","90","","956.71","0.09","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-Bromo-2,6-bis(hydroxymethyl)anisole","[5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C36 H44 Br4 O12 -","4","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0786","0.0646","","","0.1744","0.1903","","","","","","1.095","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021011","33.315","0.004","4.3913","0.0003","15.9655","0.0017","90","","110.142","0.008","90","","2192.8","0.4","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Bromo-2,6-bis(bromomethyl)anisole","5-Bromo-1,3-bis(bromomethyl)-2-methoxybenzene","","- C9 H9 Br3 O -","- C9 H9 Br3 O -","- C72 H72 Br24 O8 -","8","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0448","0.0333","","","0.0799","0.0881","","","","","","1.099","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021012","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0711","0.0713","","","","","","1.091","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021013","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.232 In0.9321 Pd1.837 -","- Au1.232 In0.9321 Pd1.837 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0724","0.0726","","","","","","1.092","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021014","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4915 In0.888 Pd1.6195 -","- Au1.4915 In0.888 Pd1.6195 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0322","0.0263","","","0.0462","0.0497","","","","","","0.958","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021015","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4918 In0.888 Pd1.6202 -","- Au1.4918 In0.888 Pd1.6202 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0318","0.0251","","","0.0453","0.0496","","","","","","0.957","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021016","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.767 In0.8602 Pd1.372 -","- Au1.767 In0.8602 Pd1.372 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0234","","","0.0543","0.0608","","","","","","1.038","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021017","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.768 In0.8601 Pd1.371 -","- Au1.768 In0.8601 Pd1.371 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0223","","","0.0527","0.0606","","","","","","1.044","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021018","13.0034","0.0004","14.0829","0.0004","31.479","0.001","90","","90","","90","","5764.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one ethyl acetate 0.33-solvate","","- C64 H77 N3 O14 -","- C64.002 H77.005 N3 O14 -","- C256.008 H308.02 N12 O56 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.071","0.0517","","","","0.1462","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2021019","12.5992","0.0002","13.1093","0.0003","26.6586","0.0006","90","","90","","90","","4403.11","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one diethyl ether hemisolvate","","- C44 H56 N2 O9 -","- C44 H56 N2 O9 -","- C176 H224 N8 O36 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.0931","0.0648","","","","0.1927","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206452","2020-10-21","18:00:00",""
"2021020","11.7625","0.00011","12.00313","0.00013","24.2755","0.0002","90","","90","","90","","3427.38","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Griseofulvin","(2<i>S</i>,6'<i>R</i>)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3<i>H</i>,4'<i>H</i>-spiro[1-benzofuran-2,1'-cyclohex-2-ene]-3,4'-dione","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Mahieu, Aurélien; Willart, Jean-François; Guerain, Mathieu; Derollez, Patrick; Danéde, Florence; Descamps, Marc","Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001845","powder diffraction","","1.23922","synchrotron","","0.0985","0.0703","","0.0706","0.0663","","","","1.35","","","","","","","has coordinates,has Fobs","206573","2020-10-21","18:00:00",""
"2021021","19.5314","0.0012","12.7103","0.001","9.8189","0.0005","90","","90","","90","","2437.5","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Cytosinium 6-chloronicotinate","Cytosinium 6-chloropyridine-3-carboxylate","","- C10 H11 Cl N4 O4 -","- C10 H11 Cl N4 O4 -","- C80 H88 Cl8 N32 O32 -","8","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","0.71073","MoKα","","0.1064","0.0614","","","0.1572","0.184","","","","","","1.069","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021022","16.1671","0.0004","4.8786","0.0001","12.0863","0.0003","90","","96.026","0.002","90","","948.01","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-5-bromo-4-hydroxy-6-methylpyrimidinium hydrogensulfate","2-amino-5-bromo-4-oxy-6-methylpyrimidinium hydrogensulfate","","- C5 H8 Br N3 O5 S -","- C5 H8 Br N3 O5 S -","- C20 H32 Br4 N12 O20 S4 -","4","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","1.54184","CuKα","","0.0417","0.0404","","","0.1081","0.1094","","","","","","1.056","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021023","11.202","0.0019","16.609","0.003","19.85","0.006","90","","90","","90","","3693.2","1.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,2,6,11-Tetramethyl-<i>N</i>-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.1139","0.0564","","","0.0897","0.1094","","","","","","1.087","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021024","9.425","0.002","11.184","0.003","17.321","0.006","90","","101.091","0.011","90","","1791.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Allyl-6-(1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)-<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)pyrimidin-4-amine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.05","0.0423","","","0.1057","0.1111","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021025","11.1086","0.0005","8.7806","0.0003","17.7753","0.0009","90","","103.651","0.002","90","","1684.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-1-yl)-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine 0.374-hydrate","","- C21 H19.748 N5 O0.374 -","- C21 H19.748 N5 O0.374 -","- C84 H78.992 N20 O1.496 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.0866","0.0498","","","0.1024","0.1171","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021026","9.7866","0.0013","10.2122","0.0015","10.9551","0.0014","97.816","0.009","112.433","0.008","94.149","0.008","993.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6,7,9,11-Tetramethyl-4-(5-methyl-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C24 H25 N5 -","- C24 H25 N5 -","- C48 H50 N10 -","2","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","1.54184","CuKα","","0.0747","0.0498","","","0.116","0.1361","","","","","","1.073","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021027","6.2199","0.0009","7.3301","0.001","11.9153","0.0016","90","","90","","90","","543.25","0.13","100","2","100","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0345","","","0.082","0.0839","","","","","","1.065","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021028","6.2311","0.0008","7.3497","0.001","11.9462","0.0015","90","","90","","90","","547.1","0.12","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0334","","","0.0777","0.0801","","","","","","1.038","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021029","6.2389","0.0008","7.3667","0.001","11.9735","0.0016","90","","90","","90","","550.3","0.13","200","2","200","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0421","0.0376","","","0.0909","0.0946","","","","","","1.11","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021030","6.253","0.005","7.383","0.006","12.017","0.009","90","","90","","90","","554.8","0.8","250","2","250","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0494","0.0382","","","0.0874","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021031","6.262","0.009","7.402","0.011","12.039","0.017","90","","90","","90","","558","1.4","300","2","300","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0763","0.0533","","","0.1219","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021032","13.711","0.0014","19.1598","0.0019","8.9327","0.0008","90","","90","","90","","2346.6","0.4","296","2","296","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","<i>catena</i>-Poly[[diaquacopper(II)-μ-1,6-bis(1<i>H</i>-1,2,4-triazol-1-yl)hexane-κ^2^<i>N</i>^4^:<i>N</i>^4'^] bis(3-amino-4-carboxybenzenesulfonate) dihydrate]","","- C34 H52 Cu N14 O14 S2 -","- C34 H52 Cu N14 O14 S2 -","- C68 H104 Cu2 N28 O28 S4 -","2","0.5","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0456","0.0344","","","0.0858","0.0906","","","","","","1.032","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021033","18.787","0.002","12.0409","0.0012","20.699","0.002","90","","99.905","0.004","90","","4612.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-amino-5-sulfonatobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis{μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis[aquacopper(II)] trihydrate","","- C42 H48 Cu2 N10 O15 S2 -","- C42 H48 Cu2 N10 O15 S2 -","- C168 H192 Cu8 N40 O60 S8 -","4","1","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0759","0.0447","","","0.1082","0.1212","","","","","","1.028","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021034","19.3126","0.0015","10.2713","0.0006","18.1414","0.0012","90","","112.052","0.008","90","","3335.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diiodidobis(triphenylphosphane-κ<i>P</i>)zinc(II)","","- C36 H30 I2 P2 Zn -","- C36 H30 I2 P2 Zn -","- C144 H120 I8 P8 Zn4 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0675","0.0402","","","0.0801","0.0883","","","","","","1.053","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021035","11.3104","0.0008","19.3208","0.0011","37.933","0.002","90","","90","","90","","8289.3","0.9","293","2","293","2","","","","","","","","5","F 2 d d","F -2d 2","43","","Diiodidobis[tris(4-methylphenyl)phosphane-κ<i>P</i>]zinc(II)","","- C42 H42 I2 P2 Zn -","- C42 H42 I2 P2 Zn -","- C336 H336 I16 P16 Zn8 -","8","0.5","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0764","0.0453","","","0.0945","0.105","","","","","","0.998","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021036","18.982","0.0009","15.9507","0.0006","24.9714","0.001","90","","90.352","0.004","90","","7560.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(diphenylphosphoryl)methane-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetraiodidozinc(II)","","- C75 H66 I4 O6 P6 Zn2 -","- C75 H66 I4 O6 P6 Zn2 -","- C300 H264 I16 O24 P24 Zn8 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.1054","0.0507","","","0.0814","0.0964","","","","","","0.961","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021037","9.8015","0.0006","20.9572","0.0015","21.7012","0.0017","90","","90","","90","","4457.7","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C152 H104 N40 Ni4 O16 S4 -","4","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.1296","0.0738","","","0.174","0.2095","","","","","","0.984","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021038","28.596","0.002","28.596","0.002","13.5438","0.0009","90","","90","","90","","11075.2","1.3","294","2","294","2","","","","","","","","6","I -4","I -4","82","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C304 H208 N80 Ni8 O32 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2018","0.0777","","","0.1648","0.22","","","","","","0.894","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021039","13.406","0.005","24.365","0.005","28.114","0.005","90","","90","","90","","9183","4","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25)","","- C41 H41.5 N11 Ni O9.25 S -","- C41 H33 N11 Ni O9.25 S -","- C328 H264 N88 Ni8 O74 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2171","0.086","","","0.2284","0.334","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","206644","2020-10-21","18:00:00",""
"2021040","24.3852","0.0012","6.0502","0.0004","5.1","0.003","90","","90","","90","","752.4","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-Chloroisatoic anhydride","6-Chloro-2,4-dihydro-1<i>H</i>-3,1-benzoxazine-2,4-dione","","- C8 H4 Cl N O3 -","- C8 H4 Cl N O3 -","- C32 H16 Cl4 N4 O12 -","4","1","KU3216","Pogoda, Dorota; Matera-Witkiewicz, Agnieszka; Listowski, Marcin; Janczak, Jan; Videnova-Adrabinska, Veneta","The role of different nonspecific interactions and halogen contacts in the crystal structure organization of 5-chloroisatoic anhydride","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002280","","","0.71073","MoKα","","0.0379","0.032","","","0.0626","0.0651","","","","","","1","","","","has coordinates,has Fobs","206688","2020-10-21","18:00:00",""
"2021041","3.197","0.0005","3.197","0.0005","5.1943","0.001","90","","90","","120","","45.977","0.013","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","","Dimagnesium lithium aluminium carbide","","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","1","0.0833333","KU3217","Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy","New quaternary carbide Mg~1.52~Li~0.24~Al~0.24~C~0.86~ as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002851","","","0.71073","MoKα","","0.0365","0.0327","","","0.0762","0.0769","","","","","","1.37","","","","has coordinates,has Fobs","206689","2020-10-21","18:00:00",""
"2021042","6.9406","0.0002","8.5527","0.0003","12.7193","0.0006","108.581","0.004","90.93","0.003","92.396","0.003","714.7","0.05","288.2","0.3","288.2","0.3","","","","","","","","6","P -1","-P 1","2","","Poly[tetraoxido{μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ~3~-sulfato-diuranium(VI)]","","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","1","0.5","FP3045","Cui, Wen; Wang, Ruyu; Shu, Xi; Fan, Yu; Liu, Yang; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002279","","","1.54184","CuKα","","0.0476","0.0456","","","0.1093","0.1113","","","","","","1.063","","","","has coordinates,has Fobs","206690","2020-10-21","18:00:00",""
"2021043","9.3676","0.0007","17.6232","0.0014","11.3172","0.0009","90","","94.351","0.002","90","","1862.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~4~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraterbium(III)] pentahydrate]","","- C56 H78 N4 O37 Tb4 -","- C56 H60 N4 O32 Tb4 -","- C56 H60 N4 O32 Tb4 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0807","0.0597","","","0.146","0.1554","","","","","","1.011","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021044","9.4453","0.0005","17.7439","0.0014","11.3019","0.0008","90","","94.278","0.001","90","","1888.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~5~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] tetraahydrate]","","- C56 H76 Eu4 N4 O36 -","- C56 H60 Eu4 N4 O32 -","- C56 H60 Eu4 N4 O32 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0933","0.0715","","","0.1801","0.1955","","","","","","0.959","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021045","7.559","0.002","7.559","0.002","44.103","0.012","90","","90","","90","","2520","1.2","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Entecavir","2-Amino-9-[(1<i>S</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6<i>H</i>-purin-6-one","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","1","SK3678","Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian","Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002528","","","0.71073","MoKα","","0.0734","0.0528","","","0.1299","0.1402","","","","","","1.085","","","","has coordinates,has Fobs","206692","2020-10-21","18:00:00",""
"2021046","11.4343","0.001","7.7435","0.0007","14.5125","0.0012","90","","108.109","0.002","90","","1221.31","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Pyrrolidine-1-carbonothioyl)picolinohydrazonamide","","- C11 H15 N5 S -","- C11 H15 N5 S -","- C44 H60 N20 S4 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.308","0.0305","","","0.082","0.0823","","","","","","1.035","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021047","7.2793","0.0009","19.962","0.002","7.4299","0.0009","90","","105.205","0.003","90","","1041.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[amino(pyridin-3-yl)methylidene]hydrazinecarbodithioate","","- C8 H10 N4 S2 -","- C8 H10 N4 S2 -","- C32 H40 N16 S8 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.0305","0.0305","","","0.0871","0.0871","","","","","","1.118","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021048","7.323","0.0002","8.5983","0.0002","10.0343","0.0002","79.167","0.002","71.019","0.002","84.08","0.002","586.21","0.03","100.01","0.1","100","10","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-Methyl 2-[amino(pyridin-2-yl)methylidene]-1-methylhydrazinecarbodithioate","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C18 H24 N8 S4 -","2","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54184","CuKα","","0.0353","0.035","","","0.0983","0.0985","","","","","","1.038","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021049","6.9312","0.0002","14.6542","0.0005","7.1239","0.0003","90","","114.011","0.001","90","","660.97","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[1-(Pyrazin-2-yl)ethylidene]hydrazine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","YO3048","Kassim, Muhammad Arif; Yassin, Ubaidullah H. M.; Tan, Ai Ling; Usman, Anwar; Hamid, Malai Haniti S. A.","[1-(Pyrazin-2-yl)ethylidene]hydrazine: a new multitopic ligand for the design of hybrid molecular frameworks","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003273","","","1.54178","CuKα","","0.0383","0.038","","","0.1023","0.1024","","","","","","1.073","","","","has coordinates,has Fobs","206836","2020-10-21","18:00:00",""
"2021050","10.7964","0.0005","10.9649","0.0006","14.3692","0.0007","96.412","0.002","110.682","0.002","92.9","0.002","1574.03","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)]","","- C32 H28 Co2 O18 -","- C32 H28 Co2 O18 -","- C64 H56 Co4 O36 -","2","1","EG3235","An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li","A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800325X","","","0.71073","MoKα","","0.0282","0.0263","","","0.0661","0.0678","","","","","","1.074","","","","has coordinates,has Fobs","206837","2020-10-21","18:00:00",""
"2021051","9.6552","0.0003","10.7203","0.0002","7.448","0.0002","90","","108.605","0.003","90","","730.63","0.04","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyridine‒urea (1/1)","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","1","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","1.54184","CuKα","","0.0358","0.0339","","","0.0865","0.0882","","","","","","1.065","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021052","22.115","0.001","8.4863","0.0004","34.1306","0.0017","90","","95.778","0.004","90","","6372.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridine‒thiourea (1/1)","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C192 H288 N96 S32 -","32","8","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","0.71073","MoKα","","0.0778","0.0539","","","0.101","0.1103","","","","","","1.085","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021053","9.67404","0.00018","10.9707","0.0002","13.5552","0.0003","90","","94.738","0.0007","90","","1433.71","0.05","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C68 H60 Cl4 N4 O4 -","2","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0504","0.042","","","0.1088","0.1245","","","","","","1.099","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021054","13.2054","0.0002","12.4456","0.0002","16.8489","0.0003","90","","90","","90","","2769.1","0.08","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C136 H120 Cl8 N8 O8 -","4","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0461","0.0394","","","0.1097","0.1151","","","","","","1.075","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021055","12.7576","0.0001","12.7576","0.0001","12.7576","0.0001","90","","90","","90","","2076.38","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dicadmium trivanadate","","- Ca2 Cd2 Na O12 V3 -","- Ca1.98 Cd2.063 Na1.02 O12 V3 -","- Ca15.84 Cd16.504 Na8.16 O96 V24 -","8","0.0833333","UK3150","Tokuda, Makoto; Yoshiasa, Akira; Mashimo, Tsutomu; Iishi, Kazuake; Nakatsuka, Akihiko","The vanadate garnet Ca~2~NaCd~2~V~3~O~12~: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003741","","","0.71073","MoKα","","0.0175","0.0163","","","0.0539","0.0546","","","","","","1.166","","","","has coordinates,has Fobs","206978","2020-10-21","18:00:00",""
"2021056","14.2967","0.0014","11.5113","0.0009","11.0913","0.0009","90","","105.465","0.01","90","","1759.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(2,4,8,10-Tetraoxa-3,9-diboraspiro[5.5]undecane-3,9-diyl)dibenzonitrile","","- C19 H16 B2 N2 O4 -","- C19 H16 B2 N2 O4 -","- C76 H64 B8 N8 O16 -","4","1","JX3008","Cárdenas-Valenzuela, A. Jaquelin; Baldenebro-López, Jesús; Guerrero-Álvarez, Jorge A.; Höpfl, Herbert; Glossman-Mitnik, Daniel; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003583","","","0.71073","MoKα","","0.08","0.0674","","","0.1382","0.1437","","","","","","1.174","","","","has coordinates,has Fobs","206979","2020-10-21","18:00:00",""
"2021057","11.5095","0.0004","12.0788","0.0005","9.5184","0.0004","90","","91.063","0.003","90","","1323.03","0.09","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diaqua{4-[(pyrimidin-2-ylazanidyl-κ<i>N</i>^1^)sulfonyl-κ<i>O</i>]aniline}lithium(I)","","- C10 H13 Li N4 O4 S -","- C10 H13 Li N4 O4 S -","- C40 H52 Li4 N16 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0274","0.0262","","","0.0643","0.0655","","","","","","1.036","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021058","5.901","0.0011","10.534","0.004","18.389","0.003","90","","94.216","0.015","90","","1140","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}sodium(I)]","","- C10 H9 N4 Na O2 S -","- C10 H9 N4 Na O2 S -","- C40 H36 N16 Na4 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0473","0.0376","","","0.0823","0.0883","","","","","","1.06","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021059","8.8503","0.0007","9.6385","0.0004","15.9734","0.0007","92.35","0.004","95.186","0.004","94.209","0.004","1351.79","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}potassium(I)]","","- C10 H13 K N4 O4 S -","- C10 H13 K N4 O4 S -","- C40 H52 K4 N16 O16 S4 -","4","2","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.5418","CuKα","","0.0858","0.0597","","","0.1421","0.1573","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021060","12.7688","0.0001","16.904","0.0001","15.7411","0.0001","90","","107.609","0.001","90","","3238.42","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium tetraaqua[7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonato]sodium(I) sesquihydrate","","- C26 H32 N6 Na O14.5 S3 -","- C26 H32 N6 Na O14.5 S3 -","- C104 H128 N24 Na4 O58 S12 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.54184","CuKα","","0.029","0.028","","","0.0738","0.0745","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021061","8.5796","0.0002","19.0371","0.0005","11.2512","0.0004","90","","121.116","0.003","90","","1573.27","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0618","0.0445","","","0.1031","0.1139","","","","","","1.04","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021062","12.7755","0.0004","9.8979","0.0004","11.5366","0.0004","90","","93.508","0.003","90","","1456.08","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanolaminium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline monohydrate","","- C12 H19 N5 O4 S -","- C12 H19 N5 O4 S -","- C48 H76 N20 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0484","0.0366","","","0.0875","0.0953","","","","","","1.058","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021063","15.0087","0.0016","13.8489","0.0013","19.52","0.002","90","","90","","90","","4057.3","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxybenzophenone","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.1027","0.0465","","","0.1038","0.1307","","","","","","1.005","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021064","7.7442","0.0003","11.773","0.0004","26.2562","0.0011","90","","90","","90","","2393.84","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Dimethylamino)benzophenone","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0436","0.0349","","","0.0782","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021065","9.4796","0.0014","9.4796","0.0014","11.164","0.003","90","","90","","120","","868.8","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","0.5","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0533","0.0428","","","0.1045","0.1126","","","","","","1.019","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021066","12.1952","0.001","7.8601","0.0007","12.0734","0.0012","90","","90","","90","","1157.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0501","0.0442","","","0.1246","0.1296","","","","","","1.08","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021067","25.369","0.003","6.031","0.0007","15.256","0.002","90","","97.788","0.004","90","","2312.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0707","0.0534","","","0.1498","0.1616","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021068","7.003","0.0003","28.2985","0.0015","11.507","0.0006","90","","106.08","0.005","90","","2191.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trimethoprimium 2,5-dichlorothiophene-3-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C19 H20 Cl2 N4 O5 S -","- C19 H20 Cl2 N4 O5 S -","- C76 H80 Cl8 N16 O20 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0716","0.0501","","","0.1179","0.133","","","","","","1.036","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021069","16.944","0.0008","6.8991","0.0003","19.7206","0.0014","90","","109.773","0.007","90","","2169.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-bromothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-bromothiophene-2-carboxylate monohydrate","","- C19 H23 Br N4 O6 S -","- C19 H23 Br N4 O6 S -","- C76 H92 Br4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0623","0.0419","","","0.0939","0.1042","","","","","","1.029","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021070","16.973","0.0005","6.8689","0.0001","19.6051","0.0005","90","","109.321","0.003","90","","2156.95","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-chlorothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-chlorothiophene-2-carboxylate monohydrate","","- C19 H23 Cl N4 O6 S -","- C19 H23 Cl N4 O6 S -","- C76 H92 Cl4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0565","0.0488","","","0.1368","0.1481","","","","","","1.046","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021071","6.9417","0.0003","9.8281","0.0006","16.2754","0.001","90.813","0.005","90.376","0.004","99.084","0.004","1096.29","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trimethoprimium 5-methylthiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 5-methylthiophene-2-carboxylate monohydrate","","- C20 H26 N4 O6 S -","- C20 H26 N4 O6 S -","- C40 H52 N8 O12 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0491","0.0408","","","0.1098","0.1181","","","","","","1.028","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021072","11.168","0.0005","16.1913","0.0005","16.2434","0.0005","106.203","0.003","101.386","0.003","90.029","0.003","2760.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprimium anthracene-9-carboxylate sesquihydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium anthracene-9-carboxylate sesquihydrate","","- C29 H31 N4 O6.5 -","- C29 H31 N4 O6.5 -","- C116 H124 N16 O26 -","4","2","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1053","0.0617","","","0.1574","0.1888","","","","","","1.019","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021073","9.3415","0.0005","10.2751","0.0006","11.373","0.0008","63.919","0.007","85.243","0.005","83.689","0.005","973.8","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pyrimethaminium 2,5-dichlorothiophene-3-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C17 H15 Cl3 N4 O2 S -","- C17 H15 Cl3 N4 O2 S -","- C34 H30 Cl6 N8 O4 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0756","0.0542","","","0.1423","0.1637","","","","","","1.019","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021074","17.0836","0.0006","15.8893","0.0003","16.4764","0.0005","90","","116.538","0.004","90","","4001.2","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Pyrimethaminium 5-bromothiophene-2-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 5-bromothiophene-2-carboxylate","","- C17 H16 Br Cl N4 O2 S -","- C17 H16 Br Cl N4 O2 S -","- C136 H128 Br8 Cl8 N32 O16 S8 -","8","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0613","0.0529","","","0.15","0.1603","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021075","9.5195","0.0005","15.7842","0.0011","18.8336","0.0008","90","","92.293","0.004","90","","2827.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pyrimethaminium anthracene-9-carboxylate ethanol monosolvate monohydrate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium anthracene-9-carboxylate methanol monosolvate monohydrate","","- C29 H31 Cl N4 O4 -","- C29 H31 Cl N4 O4 -","- C116 H124 Cl4 N16 O16 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1221","0.0581","","","0.1381","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021076","10.7421","0.0003","11.7053","0.0004","24.5947","0.0008","85.45","0.003","87.699","0.003","63.459","0.003","2757.86","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(pyrimethaminium) naphthalene-1,5-disulfonate","Bis[2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium] naphthalene-1,5-disulfonate","","- C34 H34 Cl2 N8 O6 S2 -","- C34 H34 Cl2 N8 O6 S2 -","- C102 H102 Cl6 N24 O18 S6 -","3","1.5","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0704","0.0469","","","0.1103","0.1261","","","","","","1.031","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021077","12.9627","0.0003","9.6666","0.0002","16.6887","0.0004","90","","105.217","0.0011","90","","2017.86","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Heptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-3,5,7,11,13,15,17(22),18,20,23(28),24,26-dodecaene-1,9-carbaldehyde","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","YP3151","Zarei, Seyed Amir; Akhtari, Keivan; Piltan, Mohammad; Kamel, Shaaban M.; Mague, Joel T.","The [4+4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003534","","","1.54178","CuKα","","0.0825","0.0712","","","0.1852","0.1969","","","","","","1.057","","","","has coordinates,has Fobs","207091","2020-10-21","18:00:00",""
"2021079","10.6773","0.0015","13.0608","0.0017","16.356","0.002","71.118","0.004","87.07","0.004","80.73","0.004","2130","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[(5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ<i>O</i>)aquacobalt(II)]-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']] 4.75-hydrate]","","- C36 H41.5 Br3 Co N9 O9.75 -","- C36 H41.5 Br3 Co N9 O9.75 -","- C72 H83 Br6 Co2 N18 O19.5 -","2","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.0593","0.0393","","","0.104","0.1133","","","","","","1.042","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021080","10.1342","0.0014","17.938","0.002","28.071","0.004","90","","90","","90","","5103","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ-5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C22 H16 Br3 Co N5 O4 -","- C22 H16 Br3 Co N5 O4 -","- C176 H128 Br24 Co8 N40 O32 -","8","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.077","0.0346","","","0.0574","0.066","","","","","","0.999","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021081","10.001","0.008","20.82","0.02","15.124","0.007","90","","96.12","0.05","90","","3131","4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-phenyl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C17 H14 F3 N3 -","- C17 H14 F3 N3 -","- C136 H112 F24 N24 -","8","2","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1218","0.0526","","","0.0956","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021082","9.5097","0.0013","17.921","0.002","20.011","0.003","90","","90","","90","","3410.3","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C144 H128 F24 N24 O8 -","8","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0644","0.0372","","","0.0964","0.1135","","","","","","1.016","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021083","15.1368","0.0016","7.7224","0.0009","15.4446","0.0018","90","","112.454","0.002","90","","1668.5","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C72 H64 F12 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0828","0.0379","","","0.0954","0.1136","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021084","8.829","0.002","9.513","0.002","11.598","0.003","106.105","0.004","95.554","0.004","110.049","0.004","859.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C36 H32 F6 N6 O2 -","2","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1075","0.0531","","","0.1263","0.1525","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021085","11.9633","0.0008","7.8453","0.0005","20.0446","0.0014","90","","95.191","0.001","90","","1873.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[2,4-Bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H10 F9 N3 O -","- C18 H10 F9 N3 O -","- C72 H40 F36 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0763","0.0365","","","0.0893","0.1071","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021086","30.656","0.002","8.3363","0.0006","7.6723","0.0006","90","","94.627","0.001","90","","1954.3","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0996","0.0424","","","0.1086","0.1328","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021087","12.267","0.002","8.4334","0.0014","15.686","0.003","90","","93.904","0.003","90","","1619","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1<i>H</i>-1,2,3-triazol-1-yl]phenol","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C68 H56 F12 N12 O12 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1731","0.0565","","","0.134","0.1894","","","","","","0.972","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021088","8.3422","0.0004","16.45","0.0008","11.8773","0.0005","90","","93.108","0.002","90","","1627.51","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2,2'-(1,2-phenylene)bis(4-carboxy-1<i>H</i>-imidazole-5-carboxylato)-κ^6^<i>O</i>^4^,<i>N</i>^3^,<i>N</i>^3'^,<i>O</i>^4'^:<i>O</i>^5^:<i>O</i>^5'^:]manganese(II)]","","- C16 H8 Mn N4 O8 -","- C16 H8 Mn N4 O8 -","- C64 H32 Mn4 N16 O32 -","4","1","","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia","A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","5","599","603","10.1107/S2053229618005508","","","0.71073","MoKα","","0.0396","0.0314","","","0.0801","0.0843","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","207527","2020-10-21","18:00:00",""
"2021089","11.8203","0.0001","9.1276","0.0001","21.1575","0.0001","90","","100.468","0.001","90","","2244.71","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')(carbamoylcyanonitrosomethanide-\ κ^2^<i>N</i>,<i>O</i>)chloridocopper(II) acetonitrile monosolvate","","- C23 H17 Cl N6 O2 -","- C23 H17 Cl Cu N6 O2 -","- C92 H68 Cl4 Cu4 N24 O8 -","4","1","SK3686","Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal","A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed <i>in situ</i> by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties","Acta Crystallographica Section C","2018","74","5","584","589","10.1107/S2053229618005697","","","1.54184","CuKα","","0.0259","0.0237","","","0.0641","0.0656","","","","","","1.051","","","","has coordinates,has Fobs","207528","2020-10-21","18:00:00",""
"2021090","19.0566","0.0008","15.5255","0.001","24.0975","0.0014","90","","90","","90","","7129.6","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-chlorido-[triphenyllead(IV)]-μ-dimethylarsinato-κ^2^<i>O</i>:<i>O</i>']","","- C38 H36 As Cl O2 Pb2 -","- C38 H36 As Cl O2 Pb2 -","- C304 H288 As8 Cl8 O16 Pb16 -","8","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0635","0.0398","","","0.0741","0.079","","","","","","1.048","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021091","7.3822","0.0003","19.95","0.0007","10.2878","0.0004","90","","99.763","0.003","90","","1493.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[chlorido(μ~3~-dimethylarsinato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')diphenyllead(IV)]","","- C14 H16 As Cl O2 Pb -","- C14 H16 As Cl O2 Pb -","- C56 H64 As4 Cl4 O8 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0478","0.032","","","0.0646","0.0665","","","","","","0.959","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021092","13.8277","0.0008","12.6242","0.0006","14.4713","0.0008","90","","97.717","0.005","90","","2503.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H25 O2 P Pb -","- C30 H25 O2 P Pb -","- C120 H100 O8 P4 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0773","0.045","","","0.0954","0.1005","","","","","","0.91","","","","has coordinates,has disorder","207529","2020-10-21","18:00:00",""
"2021093","6.4641","0.0002","11.6518","0.0004","25.4249","0.0009","90","","90","","90","","1914.96","0.11","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,4 b<i>R</i>,7<i>R</i>,10<i>aS</i>)-4 b,7-Dihydroxy-7-isopropyl-1,1-dimethyl-9-oxododecahydrobenzo[<i>a</i>]azulene-4a(2<i>H</i>)-carboxylic acid","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","LG3224","Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie","Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system","Acta Crystallographica Section C","2018","74","5","635","640","10.1107/S2053229618005740","","","1.54178","CuKα","","0.0279","0.0277","","","0.0738","0.0739","","","","","","1.052","","","","has coordinates,has Fobs","207530","2020-10-21","18:00:00",""
"2021094","9.7608","0.0003","10.6134","0.0003","11.2721","0.0003","77.398","0.002","75.589","0.002","87.635","0.002","1103.64","0.06","120","0.1","120","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>S</i>)-(-)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.05","0.0472","","","0.1182","0.1205","","","","","","1.71","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021095","9.7524","0.0002","10.6117","0.0002","11.251","0.0002","77.3381","0.0015","75.6221","0.0016","87.7313","0.0016","1100.33","0.04","95","0.1","95","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.0404","0.0394","","","0.097","0.098","","","","","","1.5","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021096","37.656","0.008","7.031","0.002","21.959","0.004","90","","120.9","0.03","90","","4989","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Pentasodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) tetracosahydrate","","- C52 H119 N20 Na5 O60 P8 -","- C52 H75 N20 Na5 O59.4124 P8 -","- C104 H150 N40 Na10 O118.825 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1409","0.0816","","","0.1821","0.1993","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021097","39.474","0.009","6.964","0.002","18.656","0.005","90","","115.18","0.03","90","","4641","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Sodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) pentadecahydrate","","- C52 H105 N20 Na O51 P8 -","- C52 H79 N20 Na O51 P8 -","- C104 H158 N40 Na2 O102 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1339","0.1022","","","0.271","0.3093","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021098","10.515","0.002","11.955","0.002","7.064","0.002","90","","96.62","0.02","90","","882.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(adeninium) hypodiphosphorate dihydrate","","- C10 H18 N10 O8 P2 -","- C10 H18 N10 O8 P2 -","- C20 H36 N20 O16 P4 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","0.71073","MoKα","","0.0552","0.049","","","0.1316","0.1384","","","","","","1.05","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021099","12.888","0.005","11.093","0.004","11.487","0.004","90","","101.44","0.03","90","","1609.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(adeninium) hypodiphosphorate","","- C10 H14 N10 O6 P2 -","- C10 H14 N10 O6 P2 -","- C40 H56 N40 O24 P8 -","4","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.055","0.0524","","","0.1446","0.1481","","","","","","1.132","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021100","6.2115","0.0019","3.715","0.0011","7.172","0.002","90","","90","","90","","165.5","0.08","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel arsenide","","- As Nb0.92 Ni -","- As Nb0.916 Ni -","- As4 Nb3.664 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0225","0.0194","","","0.0369","0.0378","","","","","","0.9","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021101","6.2656","0.0015","3.7273","0.0009","7.1589","0.0017","90","","90","","90","","167.19","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium cobalt arsenide","","- As Co Nb -","- As Co Nb -","- As4 Co4 Nb4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0215","0.0209","","","0.0509","0.0513","","","","","","1.051","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021102","6.2989","0.0008","3.7613","0.0004","7.2033","0.0008","90","","90","","90","","170.66","0.03","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel germanide","","- Ge Nb Ni -","- Ge Nb Ni -","- Ge4 Nb4 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0251","0.0234","","","0.0581","0.0588","","","","","","1.331","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021103","16.847","0.003","15.6786","0.0018","21.787","0.002","90","","106.954","0.004","90","","5504.7","1.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Magnesium bis(4-methyl-2,6-di(tert-butyl)phenoxide) bis(tetrahydrofuranate)","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)magnesium","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C228 H372 Mg6 O24 -","6","3","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0783","0.0473","","","0.1059","0.1216","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021104","27.7603","0.0018","9.0454","0.0006","18.4921","0.0013","90","","118.401","0.002","90","","4084.5","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(μ~2~-ethyl glycolato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>)dimethyldialuminium","","- C40 H66 Al2 O8 -","- C40 H66 Al2 O8 -","- C160 H264 Al8 O32 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0678","0.0431","","","0.0974","0.1092","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021105","13.9163","0.0005","20.4248","0.0007","23.0316","0.0008","90","","90","","90","","6546.4","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc","","- C68 H86 O8 Zn7 -","- C68 H86 O8 Zn7 -","- C272 H344 O32 Zn28 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0334","0.0239","","","0.0517","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021106","7.053","0.003","11.864","0.005","11.785","0.006","90","","90","","90","","986.1","0.8","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","Rubidium copper trichloride","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","1","KU3218","Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo","ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity","Acta Crystallographica Section C","2018","74","5","529","533","10.1107/S2053229618004539","","","0.71073","MoKα","","0.037","0.0277","","","0.0416","0.0439","","","","","","1.02","","","","has coordinates,has Fobs","207537","2020-10-21","18:00:00",""
"2021107","9.7361","0.0004","13.7118","0.0005","16.1437","0.0007","90","","92.249","0.003","90","","2153.52","0.15","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0744","0.0447","","","0.1004","0.1146","","","","","","1.022","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021108","8.807","0.0006","14.9505","0.0008","16.6376","0.001","90","","95.903","0.004","90","","2179","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0412","0.0366","","","0.0942","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021109","9.6871","0.0013","9.6871","","6.4528","0.0008","90","","90","","120","","524.4","0.1","200","2","200","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Trilanthanum titanium pentabismuthide","","- Bi5 La3 Ti -","- Bi5 La3 Ti -","- Bi10 La6 Ti2 -","2","0.0833333","KU3221","Ovchinnikov, Alexander; Bobev, Svilen","Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction","Acta Crystallographica Section C","2018","74","5","618","622","10.1107/S205322961800565X","","","0.71073","MoKα","","0.0209","0.0185","","","0.0359","0.0365","","","","","","1.077","","","","has coordinates,has Fobs","207539","2020-10-21","18:00:00",""
"2021110","23.511","0.0008","10.6098","0.0004","33.8618","0.0011","90","","92.1502","0.0007","90","","8440.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)lanthanum methanol monosolvate","","- C78 H126 La O18 P3 -","- C78 H126 La O18 P3 -","- C312 H504 La4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0689","0.0415","","","0.081","0.0904","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021111","23.578","0.002","10.6366","0.001","33.808","0.003","90","","92.022","0.002","90","","8473.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)cerium methanol monosolvate","","- C78 H126 Ce O18 P3 -","- C78 H126 Ce O18 P3 -","- C312 H504 Ce4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0587","0.0387","","","0.0833","0.0909","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021112","23.5159","0.0008","10.6376","0.0004","33.6934","0.0012","90","","92.038","0.001","90","","8423.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)neodymium methanol monosolvate","","- C78 H126 Nd O18 P3 -","- C78 H126 Nd O18 P3 -","- C312 H504 Nd4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0772","0.0473","","","0.0945","0.1056","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021113","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0399","0.0397","","","0.1107","0.111","","","","","","1.102","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021114","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0464","0.0461","","","0.1336","0.1343","","","","","","1.699","","","","has coordinates","207541","2020-10-21","18:00:00",""
"2021115","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0319","0.0316","","","0.0876","0.0878","","","","","","1.1","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021118","9.05","0.005","10.006","0.005","11.082","0.005","69.207","0.005","79.497","0.005","82.267","0.005","919.8","0.8","293","","293","2","","","","","","","","5","P -1","-P 1","2","","Diethylammonium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","","- C18 H20 B N O6 -","- C18 H20 B N O6 -","- C36 H40 B2 N2 O12 -","2","1","WQ3141","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.0867","0.0432","","","0.0912","0.1087","","","","","","1.009","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021119","11.529","0.005","8.885","0.005","17.216","0.005","90","","108.308","0.005","90","","1674.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propylammonium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","","- C17 H18 B N O6 -","- C17 H18 B N O6 -","- C68 H72 B4 N4 O24 -","4","1","","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.059","0.0497","","","0.1409","0.1535","","","","","","1.086","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021120","5.8043","0.0016","31.562","0.009","7.898","0.002","90","","95.86","0.006","90","","1439.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-({2-[6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazin-1-ylidene}methyl)phenol","","- C14 H14 N8 O -","- C14 H14 N8 O -","- C56 H56 N32 O4 -","4","1","QS3070","Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia","Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006617","","","0.71073","MoKα","","0.0961","0.0585","","","0.1544","0.1787","","","","","","1.05","","","","has coordinates,has Fobs","207687","2020-10-21","18:00:00",""
"2021121","10.2225","0.0016","9.6736","0.0016","10.2678","0.0017","90","","112.165","0.008","90","","940.3","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Carboxymethyl-3-ethylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C28 H44 Cl4 N8 O8 -","4","1","KU3219","Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena","Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S2053229618005272","","","0.71073","MoKα","","0.0427","0.0361","","","0.1007","0.1057","","","","","","1.096","","","","has coordinates,has Fobs","207688","2020-10-21","18:00:00",""
"2021122","13.4219","0.0004","8.3679","0.0003","18.5974","0.0007","90","","98.348","0.003","90","","2066.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(4-fluorobenzylidene)-1-methylpiperidin-4-one","","- C24 H26 F N O -","- C24 H26 F N O -","- C96 H104 F4 N4 O4 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0716","0.0564","","","0.1358","0.1531","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021123","19.1378","0.0009","16.2788","0.0008","7.5525","0.0004","90","","98.386","0.005","90","","2327.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(3,5-dimethoxybenzylidene)-1-methylpiperidin-4-one","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0623","0.0486","","","0.128","0.1423","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021124","7.0689","0.0005","8.2072","0.0005","20.1397","0.0016","94.401","0.006","97.829","0.006","106.575","0.006","1101.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(5<i>E</i>)-3-{3-[(<i>E</i>)-(2,3-Dihydroxybenzylidene)amino]benzylidene}-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one","","- C27 H23 F N2 O3 -","- C27 H23 F N2 O3 -","- C54 H46 F2 N4 O6 -","2","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0702","0.0487","","","0.1258","0.1488","","","","","","1.026","","","","has coordinates,has Fobs","207689","2020-10-21","18:00:00",""
"2021125","27.4921","0.0013","16.9467","0.0008","30.909","0.0015","90","","106.801","0.001","90","","13785.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquapentakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dilanthanum hexane disolvate","","- C132 H203 La2 O23 P5 -","- C132 H203 La2 O23 P5 -","- C528 H812 La8 O92 P20 -","4","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.0832","0.0526","","","0.132","0.1509","","","","","","1.032","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021126","15.094","0.007","17.491","0.008","27.444","0.013","102.142","0.007","95.211","0.007","90.412","0.007","7052","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquatetrakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dineodymium bis(2,6-diisopropylphenyl) phosphate heptane disolvate","","- C134 H211 Nd2 O25 P5 -","- C134 H211 Nd2 O25 P5 -","- C268 H422 Nd4 O50 P10 -","2","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.048","0.0365","","","0.0944","0.1015","","","","","","1.018","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021127","12.3225","0.0009","14.5183","0.0008","13.8141","0.0008","90","","98.361","0.002","90","","2445.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Cl F N3 O5 -","- C23 H31 Cl F N3 O5 -","- C92 H124 Cl4 F4 N12 O20 -","4","1","","Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong","A new polymorph of the gastrokinetic drug cisapride monohydrate","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006836","","","0.71073","MoKα","","0.1243","0.0746","","","0.1647","0.1981","","","","","","1.049","","","","has coordinates,has disorder","207902","2020-10-21","18:00:00",""
"2021128","10.801","0.005","17.301","0.008","11.777","0.007","90","","104.28","0.02","90","","2132.7","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>N</i>^4^-{2-[(4-methylbenzylidene)amino]phenyl}-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C21 H24 N6 O3 S -","- C21 H24 N6 O3 S -","- C84 H96 N24 O12 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.0721","0.0434","","","0.0885","0.0988","","","","","","1.044","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021129","10.8498","0.0011","17.2238","0.0015","11.3806","0.0011","90","","115.351","0.003","90","","1921.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^4^-{2-[(Ethoxymethylidene)amino]phenyl}-6-methoxy-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C16 H22 N6 O4 S -","- C16 H22 N6 O4 S -","- C64 H88 N24 O16 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.052","0.0372","","","0.0815","0.0884","","","","","","1.045","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021130","6.7095","0.0003","13.7764","0.0006","30.7205","0.0015","90","","90","","90","","2839.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Theophylline‒3,4-dihydroxybenzoic acid (1/1)","1,3-Dimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione‒\ 3,4-dihydroxybenzoic acid (1/1)","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","RH3004","Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas","Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006861","","","0.71073","MoKα","","0.1007","0.0478","","","0.1007","0.1229","","","","","","0.999","","","","has coordinates,has Fobs","207943","2020-10-21","18:00:00",""
"2021131","9.842","0.006","9.309","0.006","12.538","0.008","90","","93.45","0.009","90","","1146.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[piperazinediium [tri-μ-iodido-sodium]]","","- C4 H12 I3 N2 Na -","- C4 H12 I3 N2 Na -","- C16 H48 I12 N8 Na4 -","4","0.5","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.062","0.0575","","","0.1613","0.1652","","","","","","1.031","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021132","12.186","0.002","22.828","0.005","12.214","0.002","90","","111.89","0.03","90","","3152.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[tris(piperazinediium) [μ-iodido-triiodidosodium] triiodide monohydrate]","","- C12 H38 I7 N6 Na O -","- C12 H38 I7 N6 Na O -","- C48 H152 I28 N24 Na4 O4 -","4","1","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.1521","0.0854","","","0.1213","0.1416","","","","","","1.094","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021133","9.5552","0.0004","10.3175","0.0005","11.9645","0.0006","91.085","0.004","110.515","0.004","93.998","0.003","1100.85","0.09","99.97","0.11","99.97","0.11","","","","","","","","4","P 1","P 1","1","11-Azaartemisinin‒<i>trans</i>-cinnamic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2<i>E</i>)-3-Phenylprop-2-enoic acid (1/1)","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C48 H62 N2 O12 -","2","2","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0354","0.0315","","","0.0745","0.0769","","","","","","1.001","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021134","9.62162","0.00012","10.40235","0.00011","19.6935","0.0002","90","","90","","90","","1971.07","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (1/1)","","- C19 H27 N O8 -","- C19 H27 N O8 -","- C76 H108 N4 O32 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0224","0.022","","","0.0554","0.0557","","","","","","1.006","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021135","9.7885","0.0001","9.9965","0.0001","33.7661","0.0004","90","","90","","90","","3304.04","0.06","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (2/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (2/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C136 H200 N8 O48 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54178","CuKα","","0.0307","0.0296","","","0.0743","0.0749","","","","","","1.016","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021136","9.57929","0.00011","10.05214","0.00016","17.7765","0.0002","90","","96.4731","0.0011","90","","1700.83","0.04","99.96","0.13","99.96","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","11-Azaartemisinin‒fumaric acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2<i>E</i>)-but-2-enedioic acid (1/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C68 H100 N4 O24 -","2","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0259","0.0254","","","0.0654","0.0657","","","","","","1.018","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021137","23.849","0.005","11.679","0.002","18.319","0.004","90","","95.28","0.03","90","","5080.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)bis(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)[μ~4~-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]cobalt(III)]‒ethanol‒water 1/7/5]","","- C96 H156 Co2 N4 O21 -","- C86 H116 Co2 N4 O11 -","- C172 H232 Co4 N8 O22 -","2","0.5","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","synchrotron","","0.1036","0.0805","","","0.2154","0.2306","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021138","10.072","0.002","16.135","0.003","18.192","0.004","75.34","0.03","83.15","0.03","78.7","0.03","2797.1","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1245","0.0938","","","0.2554","0.2759","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021139","10.066","0.002","16.124","0.003","18.205","0.004","75.36","0.03","83.11","0.03","78.68","0.03","2795.5","1.1","275","","275","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1229","0.0865","","","0.2452","0.2685","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021140","10.168","0.002","16.321","0.003","18.515","0.004","75.33","0.03","82.77","0.03","78.77","0.03","2906","1.1","315","","315","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H76 Co N4 O9 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.152","0.0998","","","0.2861","0.3297","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021141","9.1557","0.0011","23.753","0.003","10.379","0.0013","90","","115.261","0.004","90","","2041.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-pentahydrogen [1,1'-biphenyl]-3,3',5,5'-tetrayltetrakis(phosphonato)]erbium(III)] 2.5-hydrate]","","- C12 H16 Er O14.5 P4 -","- C24 H22 Er2 O29 P8 -","- C48 H44 Er4 O58 P16 -","2","0.5","LG3220","Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A.","Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007374","","","0.71073","MoKα","","0.1043","0.069","","","0.1073","0.1157","","","","","","1.241","","","","has coordinates,has Fobs","208051","2020-10-21","18:00:00",""
"2021142","12.6071","0.0018","14.764","0.002","18.585","0.003","84.507","0.002","88.508","0.002","84.033","0.002","3424.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(18-Crown-6)bis(tetrahydrofuran-κ<i>O</i>)sodium bis(η^6^-1,1,2,2-tetraphenylethenediyl)scandium(III) tetrahydrofuran disolvate","","- C80 H96 Na O10 Sc -","- C80 H96 Na O10 Sc -","- C160 H192 Na2 O20 Sc2 -","2","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.156","0.0738","","","0.1565","0.1834","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021143","7.3278","0.0005","5.944","0.0004","26.6551","0.0018","90","","94.352","0.001","90","","1157.65","0.14","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-Diphenylcyclopenta-1,3-diene","","- C17 H14 -","- C17 H14 -","- C68 H56 -","4","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0503","0.0444","","","0.1211","0.1279","","","","","","1.031","","","","has coordinates,has Fobs","208075","2020-10-21","18:00:00",""
"2021144","36.06","0.005","9.5557","0.0014","23.662","0.003","90","","113.84","0.002","90","","7457.7","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(η^5^-1,3-Diphenylcyclopentadienyl)(tetrahydrofuran-κ<i>O</i>)(η^6^-\ 1,1,2,2-tetraphenylethenediyl)scandium(III) toluene hemisolvate","","- C50.5 H45 O Sc -","- C50.5 H45 O Sc -","- C404 H360 O8 Sc8 -","8","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.084","0.0576","","","0.1457","0.1591","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021145","18.1056","0.0012","19.9164","0.0013","21.8633","0.0014","90","","90","","90","","7883.9","0.9","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","Poly[[(μ~2~-η^3^:η^2^-anthracenediyl)bis(η^6^-anthracenediyl)bis(η^5^-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate]","","- C96 H96 K2 O5 Sc2 -","- C96 H96 K2 O5 Sc2 -","- C384 H384 K8 O20 Sc8 -","4","0.25","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0863","0.055","","","0.1331","0.1503","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021146","11.4603","0.0012","11.6052","0.0013","16.3587","0.0018","92.862","0.002","105.149","0.002","97.497","0.002","2074.1","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","octaazacyclodecane","7,7,18,18-Tetraacetyl-4,10,15,21-tetraphenyl-1,2,4,6,8,10,12,13,15,17,19,21-dodecaazapentacyclo[17.3.0.02,6.08,12.013,17]docosan-3,5,9,11,14,16,20,22-octone","","- C42 H32 N12 O12 -","- C42 H32 N12 O12 -","- C84 H64 N24 O24 -","2","1","FN3261","Breton, Gary W.; Martin, Kenneth L.","Unanticipated formation of a novel octaazacyclodecane ring upon oxidation of a 1,1-bis-urazole","Acta Crystallographica Section C","2018","74","5","558","563","10.1107/S2053229618005211","","","0.71073","MoKα","","0.0752","0.0548","","","0.1269","0.1435","","","","","","1.029","","","","has coordinates,has Fobs","208094","2020-10-21","18:00:00",""
"2021147","26.571","0.003","6.9074","0.0008","13.5152","0.0016","90","","90","","90","","2480.5","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Emoxypinium maleate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxyprop-2-enoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0444","0.0366","","","0.0947","0.101","","","","","","1.036","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021148","8.9211","0.0007","10.5301","0.0008","13.7175","0.001","80.0535","0.0011","86.3313","0.0011","66.5117","0.001","1164.07","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium malonate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","2","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0545","0.0385","","","0.1","0.1079","","","","","","1.027","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021149","8.7831","0.0017","8.9442","0.0017","9.6114","0.0018","77.301","0.003","76.142","0.003","85.677","0.003","714.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium adipate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 6-carboxyhexanoate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.05","0.0406","","","0.1069","0.114","","","","","","1.054","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021150","7.2911","0.0003","8.1724","0.0003","12.5766","0.0005","89.109","0.0013","74.2345","0.0013","87.4815","0.0013","720.49","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(cytosine)diiodidocadmium(II)","Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)diiodidocadmium(II)","","- C8 H10 Cd I2 N6 O2 -","- C8 H10 Cd I2 N6 O2 -","- C16 H20 Cd2 I4 N12 O4 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0266","0.0213","","","0.0412","0.043","","","","","","1.126","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021151","12.9213","0.0005","8.5142","0.0003","13.6486","0.0006","90","","104.259","0.001","90","","1455.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(cytosine)bis(nitrato)cadmium(II),","Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C8 H10 Cd N8 O8 -","- C8 H10 Cd N8 O8 -","- C32 H40 Cd4 N32 O32 -","4","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0354","0.0256","","","0.0474","0.0505","","","","","","1.093","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021152","8.0586","0.0004","10.1383","0.0004","10.1842","0.0004","89.6438","0.0013","68.0189","0.0012","67.7878","0.0012","705.39","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(6-Amino-5-fluorocytosine)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","(6-Amino-5-fluoro-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","","- C8 H10 Br2 F2 N6 O3 Zn -","- C8 H10 Br2 F2 N6 O3 Zn -","- C16 H20 Br4 F4 N12 O6 Zn2 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","1.54178","CuKα","","0.0199","0.0198","","","0.0491","0.0492","","","","","","1.187","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021153","15.5215","0.0013","4.1954","0.0004","20.4883","0.0016","90","","93.139","0.006","90","","1332.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Chlorophenyl)-5-formyl-4-methylsulfanyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C56 H36 Cl4 N8 O8 S4 -","4","1","FN3255","Joy, Monu; Anabha, E. R.; Gopi, Subash P.; Mathew, Bijo; Kumar S, Ajeesh; Mathews, Annie","Structural and optical profile of a multifunctionalized 2-pyridone derivative in a crystal engineering perspective","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007490","","","0.71073","MoKα","","0.1343","0.0701","","","0.1138","0.1345","","","","","","1.058","","","","has coordinates,has Fobs","208129","2020-10-21","18:00:00",""
"2021154","8.5101","0.0005","15.023","0.001","15.821","0.001","68.242","0.003","80.424","0.005","89.491","0.005","1849.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cinnamaide derivatives","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxybutyl)-3-phenylprop-2-enamide‒water (3/1)","","- C13 H17.66667 N O2.33333 -","- C13 H17.6667 N O2.33333 -","- C78 H106 N6 O14 -","6","3","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0893","0.0585","","","0.1246","0.1404","","","","","","1.066","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021155","5.992","0.0001","14.451","0.0004","14.346","0.0003","90","","104.178","0.002","90","","1204.39","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(2<i>E</i>)-<i>N</i>-(1-Hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0578","0.0443","","","0.1108","0.1209","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021156","10.6921","0.0002","21.1761","0.0004","11.8518","0.0002","90","","94.198","0.002","90","","2676.25","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxy-3-methyl-butan-2-yl)-3-phenylprop-2-enamide","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","1.54184","CuKα","","0.0588","0.0451","","","0.1176","0.1297","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021157","23.7755","0.0016","8.3718","0.0005","16.3235","0.0012","90","","124.106","0.003","90","","2690.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Formylphenyl 4-methylbenzenesulfonate","","- C14 H12 O4 S -","- C14 H12 O4 S -","- C112 H96 O32 S8 -","8","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0511","0.0385","","","0.1023","0.1118","","","","","","1.038","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021158","13.7066","0.0008","12.9371","0.0008","7.431","0.0004","90","","91.565","0.003","90","","1317.2","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0669","0.0427","","","0.1027","0.1161","","","","","","1.028","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021159","7.8282","0.0005","8.5963","0.0006","10.1139","0.0006","91.249","0.003","102.818","0.002","95.938","0.003","659.38","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0459","0.0314","","","0.0745","0.0803","","","","","","1.019","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021160","10.467","0.0005","11.9547","0.0005","10.6575","0.0004","90","","98.045","0.001","90","","1320.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0522","0.038","","","0.0991","0.1072","","","","","","1.045","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021161","6.8248","0.0003","7.2849","0.0004","15.1587","0.0009","79.746","0.003","83.57","0.002","65.091","0.002","672.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.068","0.0321","","","0.0733","0.0834","","","","","","1.007","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021162","12.251","0.006","14.971","0.008","10.868","0.006","90","","95.289","0.009","90","","1984.8","1.8","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Xanthenedione","9-(3-Hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.118","","","","","","1.044","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021163","20.6531","0.0014","9.5629","0.0007","22.4489","0.0016","90","","90","","90","","4433.7","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Xanthenedione","9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C192 H216 Br8 O32 -","8","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.1421","0.0572","","","","0.13","","","","","","0.994","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021164","9.2893","0.0011","10.0558","0.0012","22.911","0.003","83.057","0.002","85.272","0.002","64.888","0.002","1922.5","0.4","290","2","290","2","","","","","","","","4","P -1","-P 1","2","Xanthenedione","3,3,6,6-Tetramethyl-9-(pyridin-2-yl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.0969","0.0767","","","0.2145","0.2229","","","","","","1.095","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021165","9.1241","0.0004","20.098","0.0009","10.7456","0.0005","90","","110.224","0.002","90","","1849","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 F I N2 O4 -","- C19 H16 F I N2 O4 -","- C76 H64 F4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0234","0.0198","","","0.0454","0.0468","","","","","","1.055","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021166","11.703","0.002","22.037","0.004","7.4073","0.0012","90","","92.888","0.008","90","","1907.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 Cl I N2 O4 -","- C19 H16 Cl I N2 O4 -","- C76 H64 Cl4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0274","0.0213","","","0.0486","0.0514","","","","","","1.039","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021167","8.837","0.001","20.056","0.001","11.015","0.001","90","","110.18","0.01","90","","1832.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-iodophenyl acetate","","- C19 H17 I N2 O4 -","- C19 H17 I N2 O4 -","- C76 H68 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0266","0.0217","","","0.0484","0.05","","","","","","1.045","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021168","11.5982","0.0003","8.8651","0.0002","15.2964","0.0003","90","","103.581","0.002","90","","1528.79","0.06","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C15 H24 N O4 -","- C15 H24 N O4 -","- C60 H96 N4 O16 -","4","1","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.047","0.0402","","","0.1075","0.1145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208530","2020-10-21","18:00:00",""
"2021169","11.1942","0.0001","8.6142","0.0001","31.6661","0.0002","90","","93.082","0.001","90","","3049.12","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis{(<i>S</i>)-(+)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C30 H48 N2 O8 -","- C30 H48 N2 O8 -","- C120 H192 N8 O32 -","4","2","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.0323","0.0317","","","0.0818","0.0826","","","","","","1.026","","","","has coordinates,has Fobs","208530","2020-10-21","18:00:00",""
"2021170","7.5508","0.0001","23.0248","0.0002","15.8985","0.0001","90","","102.081","0.001","90","","2702.83","0.05","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^6^-<i>p</i>-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0342","0.0261","","","0.0565","0.0628","","","","","","1.077","","","","has coordinates,has Fobs","208802","2020-10-21","18:00:00",""
"2021171","11.4706","0.0003","16.97","0.0004","13.9242","0.0004","90","","99.55","0.002","90","","2672.87","0.12","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(η^6^-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0273","0.0229","","","0.0551","0.0584","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","208802","2020-10-21","18:00:00",""
"2021172","6.6712","0.0003","11.9999","0.0005","22.2073","0.0008","90","","90","","90","","1777.78","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,20-Epoxy-3α,16-dihydroxy-15-oxo-7-pimaren-19,6β-olide","13-Hydroxy-5-(2-hydroxyacetyl)-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1^{1,9}.0^{2,7}.0^{12,18}^]octadec-7-en-11-one","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","0.71073","MoKα","","0.0805","0.0611","","","","0.1643","","","","","","1.039","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021173","11.7555","0.0014","20.224","0.002","8.0385","0.0011","90","","90","","90","","1911.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","3β,6β,16-Trihydroxy-7-pimaren-19,20β-olide monohydrate","5-(1,2-Dihydroxyethyl]-9,17-dihydroxy-5,11-dimethyl-13-\ oxatetracyclo[9.3.3.0^1,10^.0^2,7^]heptadec-7-en-12-one monohydrate","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","1.54178","CuKα","","0.0648","0.0455","","","0.1222","0.1369","","","","","","1.052","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021174","10.392","0.002","12.459","0.003","15.726","0.003","90","","94.25","0.03","90","","2030.5","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[4,4'-(buta-1,3-diene-1,4-diyl)dipyridin-1-ium [(μ~4~-benzene-1,2,4,5-tetracarboxylato-κ^6^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^5^)cadmium(II)]]","","- C24 H16 Cd N2 O8 -","- C24 H16 Cd N2 O8 -","- C96 H64 Cd4 N8 O32 -","4","0.5","SK3694","Zhou, Qian-Kun; Wang, Lin; Liu, Dong","Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009233","","","0.71073","MoKα","","0.0196","0.0184","","","0.051","0.0518","","","","","","1.076","","","","has coordinates,has Fobs","208904","2020-10-21","18:00:00",""
"2021175","9.1432","0.0018","10.439","0.002","10.872","0.002","73.04","0.03","83.23","0.03","78.38","0.03","970.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cadmium(II)]","","- C21 H17 Cd N3 O4 -","- C21 H17 Cd N3 O4 -","- C42 H34 Cd2 N6 O8 -","2","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0237","0.02","","","0.0454","0.0468","","","","","","1.092","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021176","12.387","0.003","14.684","0.003","20.016","0.004","90","","90","","90","","3640.7","1.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^)cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C160 H120 Cd8 N24 O40 -","8","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0235","0.0201","","","0.0513","0.0536","","","","","","1.137","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021178","12.3957","0.0008","4.9381","0.0002","14.2102","0.0012","90","","94.871","0.006","90","","866.68","0.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.43 Cl0.57 O2 -","- C9 H7 Br0.425 Cl0.575 O2 -","- C36 H28 Br1.7 Cl2.3 O8 -","4","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0479","0.0367","","","0.0899","0.0972","","","","","","0.996","","","","has coordinates","209026","2020-10-21","18:00:00",""
"2021179","19.054","0.005","3.9451","0.0007","24.661","0.005","90","","111.81","0.03","90","","1721.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.49 Cl0.51 O2 -","- C9 H7 Br0.494 Cl0.506 O2 -","- C72 H56 Br3.952 Cl4.048 O16 -","8","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0763","0.0494","","","0.1308","0.1516","","","","","","1.031","","","","has coordinates,has Fobs","209026","2020-10-21","18:00:00",""
"2021180","16.4417","0.0007","5.1623","0.0002","23.7712","0.0009","90","","107.43","0.004","90","","1924.99","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl (<i>S</i>)-<i>P</i>-(4-oxo-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)-<i>N</i>-[(<i>R</i>)-1-phenylethyl]phosphonamidate","","- C20 H20 N3 O3 P S -","- C20 H20 N3 O3 P S -","- C80 H80 N12 O12 P4 S4 -","4","2","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0598","0.0558","","","0.1459","0.1496","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021181","9.6275","0.0004","10.0903","0.0005","11.8585","0.0006","65.779","0.005","67.462","0.005","74.329","0.004","961.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diethyl (4-isopropyl-2-oxo-3,4-dihydro-2<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)phosphonate","","- C18 H25 N2 O4 P S -","- C18 H25 N2 O4 P S -","- C36 H50 N4 O8 P2 S2 -","2","1","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0568","0.0554","","","0.1628","0.1647","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021182","9.3311","0.0004","13.2097","0.0005","19.9741","0.0009","90","","93.275","0.005","90","","2458.01","0.18","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tris(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]-μ-oxido-[tetrafluoridoniobium(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 Nb O -","- C18 H30 Cu F5 N6 Nb O -","- C72 H120 Cu4 F20 N24 Nb4 O4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0512","0.0246","","","0.0461","0.0477","","","","","","0.81","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021183","9.3367","0.0003","13.1541","0.0006","20.0036","0.0005","90","","93.232","0.003","90","","2452.85","0.15","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tris(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]-μ-oxido-[tetrafluoridotantalum(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 O Ta -","- C18 H30 Cu F5 N6 O Ta -","- C72 H120 Cu4 F20 N24 O4 Ta4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0359","0.0237","","","0.0512","0.0522","","","","","","0.838","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021184","7.337","0.002","10.991","0.003","27.078","0.008","98.241","0.009","91.151","0.01","91.244","0.009","2159.9","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","Gefitinib methanol hemisolvate","<i>N</i>-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine methanol hemisolvate","","- C45.042 H52.17 Cl2 F2 N8 O7 -","- C22.5212 H26.0849 Cl F N4 O3.5 -","- C90.0849 H104.34 Cl4 F4 N16 O14 -","4","2","LF3076","Angira, Deekshi; Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Exploring a solvated dimer of Gefitinib: a quantitative analysis","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009671","","","0.71073","MoKα","","0.0827","0.0539","","","0.125","0.1397","","","","","","1.0669","","","","has coordinates,has disorder,has Fobs","209161","2020-10-21","18:00:00",""
"2021185","6.9809","0.0007","6.9809","0.0007","12.027","0.0009","90","","90","","120","","507.59","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Caesium manganese hexahydrate phosphate","Caesium manganese hexahydrate phosphate","","- Cs H12 Mn O10 P -","- Cs H12 Mn O10 P -","- Cs2 H24 Mn2 O20 P2 -","2","0.166667","FN3263","Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.","A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009798","","","0.71073","MoKα","","0.0378","0.0328","","","0.0639","0.0656","","","","","","1.157","","","","has coordinates,has Fobs","209162","2020-10-21","18:00:00",""
"2021186","7.9226","0.0009","19.1965","0.0018","17.2011","0.0016","90","","102.46","0.003","90","","2554.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κ<i>O</i>)cadmium(II)]-μ-3,3'-(diazene-1,2-diyl)dipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^] dihydrate]","","- C18 H20 Br3 Cd N5 O9 -","- C18 H20 Br3 Cd N5 O9 -","- C72 H80 Br12 Cd4 N20 O36 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0418","0.0277","","","0.0556","0.0597","","","","","","1.038","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021187","17.7463","0.0013","8.6866","0.0007","21.9891","0.0013","90","","116.41","0.004","90","","3036","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^<i>N</i>^1^:<i>N</i>^1'^-[diaquabis(5-amino-2,4,6-tribromoisophthalato-κ<i>O</i>)cadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^<i>N</i>^1^:<i>N</i>^1'^] octahydrate]","","- C21 H30 Br3 Cd N5 O12 -","- C21 H30 Br3 Cd N5 O12 -","- C84 H120 Br12 Cd4 N20 O48 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0439","0.0301","","","0.0733","0.0785","","","","","","1.039","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021188","11.2716","0.0005","26.9672","0.0011","11.3809","0.0005","90","","109.986","0.001","90","","3251","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[aqua[μ~3~-4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylato-κ^5^<i>O</i>^1^<i>O</i>^1'^:<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^][μ~4~-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^7^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^]cadmium(II)] monohydrate]","","- C31 H32 Cd2 N4 O12 -","- C31 H32 Cd2 N4 O12 -","- C124 H128 Cd8 N16 O48 -","4","1","KY3143","Li, Fenfang; Zhu, Miaoli; Lu, Liping","A two-dimensional cadmium(II) coordination polymer constructed from 4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylate and 1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylate ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010239","","","0.71073","MoKα","","0.0587","0.0495","","","0.1024","0.106","","","","","","1.174","","","","has coordinates,has Fobs","209234","2020-10-21","18:00:00",""
"2021189","21.3218","0.0016","8.6006","0.0006","25.2773","0.0019","90","","112.768","0.002","90","","4274.2","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-<i>a</i>]quinoline]-10a,10a'-diium diiodide hemihydrate","","- C22 H17 I2 N2 O0.5 S2 -","- C22 H17 I2 N2 O0.5 S2 -","- C176 H136 I16 N16 O4 S16 -","8","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0671","0.0435","","","0.1047","0.116","","","","","","1.021","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021190","8.409","0.0004","11.1793","0.0005","15.0322","0.0007","100.233","0.001","105.798","0.001","100.372","0.001","1298.61","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-<i>a</i>]quinoline]-10a,10a'-diium iodide triiodide","","- C22 H16 I4 N2 S2 -","- C22 H16 I4 N2 S2 -","- C44 H32 I8 N4 S4 -","2","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0779","0.0479","","","0.1194","0.1353","","","","","","0.999","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021191","6.7891","0.0001","16.7667","0.0002","11.7793","0.0001","90","","90.752","0.001","90","","1340.73","0.03","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]]","","- C8 H11 K O11 S Zn -","- C8 H11 K O11 S Zn -","- C32 H44 K4 O44 S4 Zn4 -","4","1","OV3111","Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata","Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010264","","","0.7107","MoKα","","0.0313","0.0269","","0.0664","","0.0645","","","1.03","","","1.03","","","","has coordinates,has Fobs","209288","2020-10-21","18:00:00",""
"2021192","7.5583","0.0007","12.7016","0.0011","15.7903","0.0014","90","","90","","90","","1515.9","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Furan-2,5-dicarboxylic acid dimethylformamide disolvate","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0427","0.0301","","","0.0621","0.0665","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021193","6.3129","0.0008","6.9099","0.0009","13.0901","0.0017","80.5164","0.0017","77.3664","0.0017","63.826","0.0016","498.53","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H10 O6 S -","- C8 H10 O6 S -","- C16 H20 O12 S2 -","2","1","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0267","0.0244","","","0.0506","0.0513","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021194","8.4954","0.0003","8.679","0.0003","10.7105","0.0004","100.366","0.003","100.314","0.003","90.093","0.003","763.79","0.05","100.2","0.8","100.2","0.8","","","","","","","","6","P 1","P 1","1","<i>N</i>-[Diethoxy(sulfanylidene)-λ^5^-phosphanyl]-2,4,6-trimethylaniline","<i>O</i>,<i>O</i>'-Diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate","","- C13 H22 N O2 P S -","- C13 H22 N O2 P S -","- C26 H44 N2 O4 P2 S2 -","2","2","KY3141","Torabi Farkhani, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel V.; Shchegravina, Ekaterina S.","Evaluation of N—H···S and N—H···π interactions in <i>O</i>,<i>O</i>'-diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies","Acta Crystallographica Section C","2018","74","7","847","855","10.1107/S2053229618007933","","","0.71073","MoKα","","0.0373","0.0358","","","0.0879","0.0887","","","","","","1.08","","","","has coordinates,has Fobs","209380","2020-10-21","18:00:00",""
"2021195","7.2479","0.0005","8.1177","0.0005","16.9716","0.0012","81.374","0.003","86.946","0.004","81.339","0.003","975.51","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchlorido[1-(4-fluorocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I)","","- C20 H12 Cl F N3 O4 Re -","- C20 H12 Cl F N3 O4 Re -","- C40 H24 Cl2 F2 N6 O8 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.0553","0.0476","","","0.1259","0.1295","","","","","","1.137","","","","has coordinates,has Fobs","209414","2020-10-21","18:00:00",""
"2021196","7.9828","0.0003","12.0719","0.0004","14.456","0.0005","104.093","0.002","99.708","0.002","104.184","0.002","1270.78","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I) acetone monosolvate","","- C23 H18 Cl N4 O7 Re -","- C23 H18 Cl N4 O7 Re -","- C46 H36 Cl2 N8 O14 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.1024","0.0582","","","0.1277","0.1541","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","209414","2020-10-21","18:00:00",""
"2021197","7.5237","0.0004","7.5739","0.0004","12.5089","0.0007","79.629","0.002","79.596","0.002","75.895","0.002","673","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-bromothiophene-2-carboxylic acid (1/1)","","- C11 H11 Br Cl N3 O2 S -","- C11 H11 Br Cl N3 O2 S -","- C22 H22 Br2 Cl2 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0425","0.0336","","","0.0661","0.0695","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021198","7.2182","0.0003","7.6364","0.0003","12.7516","0.0006","90.707","0.002","102.629","0.002","105.338","0.002","659.61","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-chlorothiophene-2-carboxylic acid (1/1)","","- C11 H11 Cl2 N3 O2 S -","- C11 H11 Cl2 N3 O2 S -","- C22 H22 Cl4 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0635","0.0506","","","0.1292","0.1379","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021199","7.3015","0.0004","7.506","0.0006","14.9665","0.0008","92.539","0.005","98.522","0.005","113.657","0.007","738.12","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine—2,4-dichlorobenzoic acid (1/1)","","- C13 H12 Cl3 N3 O2 -","- C13 H12 Cl3 N3 O2 -","- C26 H24 Cl6 N6 O4 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0575","0.0465","","","0.123","0.1351","","","","","","1.05","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021200","8.0965","0.0002","7.2427","0.0003","24.0738","0.0009","90","","90.831","0.003","90","","1411.55","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0472","0.0388","","","0.1027","0.1096","","","","","","1.051","","","","has coordinates","209667","2020-10-21","18:00:00",""
"2021201","8.273","0.003","12.746","0.004","13.32","0.004","90","","102.39","0.005","90","","1371.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-methylthiophene-2-carboxylic acid (1/1)","","- C12 H14 Cl N3 O2 S -","- C12 H14 Cl N3 O2 S -","- C48 H56 Cl4 N12 O8 S4 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0368","0.0336","","","0.0895","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021202","10.1421","0.0005","10.4218","0.0005","13.2681","0.0006","90","","107.804","0.005","90","","1335.26","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒benzoic acid (1/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0432","0.0409","","","0.1147","0.1179","","","","","","1.039","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021203","7.3992","0.0002","13.9842","0.0004","26.9897","0.0008","90","","90","","90","","2792.68","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","2","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0377","0.0343","","","0.0884","0.0913","","","","","","1.044","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021204","8.4524","0.0001","13.5387","0.0002","24.9813","0.0003","90","","90","","90","","2858.72","0.06","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0375","0.0367","","","0.1016","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021205","8.0223","0.0005","13.6901","0.001","13.3346","0.001","90","","101.557","0.007","90","","1434.8","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C56 H64 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0593","0.0472","","","0.1256","0.14","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021206","7.8899","0.0002","13.2361","0.0003","13.3212","0.0003","90","","101.254","0.002","90","","1364.4","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0368","0.0362","","","0.0968","0.0974","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021208","18.889","0.018","20.431","0.017","13.36","0.012","90","","110.73","0.03","90","","4822","8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~6~-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4^:<i>O</i>^4'^]bis(1,10-phenanthroline-κ^2^<i>N</i>^,<i>N</i>')tricobalt(II)] 0.72-hydrate]","","- C54 H31.42 Co3 N4 O14.71 -","- C54 H31.444 Co3 N4 O14.722 -","- C216 H125.776 Co12 N16 O58.888 -","4","0.5","KY3146","Li, Shao-Dong; Lu, Li-Ping; Zhu, Miao-Li","A thermally stable three-dimensional cobalt(II) coordination polymer based on the V-shaped ligand 4-(4-carboxyphenoxy)isophthalate","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011567","","","0.71073","MoKα","","0.0674","0.052","","","0.1471","0.1576","","","","","","1.062","","","","has coordinates,has Fobs","210054","2020-10-21","18:00:00",""
"2021209","9.2201","0.0004","9.3675","0.0003","24.2874","0.0009","96.303","0.002","97.731","0.002","97.049","0.002","2045.83","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate dihydrate","","- C38 H66 N2 O7 S -","- C38 H66 N2 O7 S -","- C76 H132 N4 O14 S2 -","2","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0636","0.0497","","","0.1523","0.166","","","","","","1.099","","","","has coordinates,has Fobs","210055","2020-10-21","18:00:00",""
"2021210","25.184","0.002","11.2494","0.0009","15.9615","0.0011","90","","93.796","0.002","90","","4512.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate bis(boric acid)","","- C38 H70 B2 N2 O12 S -","- C38 H70 B2 N2 O12 S -","- C152 H280 B8 N8 O48 S4 -","4","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0898","0.0498","","","0.1196","0.1444","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","210055","2020-10-21","18:00:00",""
"2021211","6.7032","0.0004","8.1646","0.0005","15.1177","0.0009","81.099","0.002","79.555","0.002","67.488","0.002","748.34","0.08","120","2","120","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>^1^,<i>N</i>^4^-Bis(2-nitrophenyl)butane-1,4-diamine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C32 H36 N8 O8 -","2","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.0471","0.0432","","","0.1329","0.1376","","","","","","1.101","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021212","7.5749","0.0002","13.4138","0.0004","46.3793","0.0014","90","","90","","90","","4712.5","0.2","120","2","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^-(2-Nitrophenyl)-<i>N</i>^2^,<i>N</i>^2^-bis[2-[(2-nitroanilino)ethyl]ethane-1,2-diamine","","- C24 H27 N7 O6 -","- C24 H27 N7 O6 -","- C192 H216 N56 O48 -","8","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.033","0.0314","","","0.078","0.0791","","","","","","1.063","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021213","9.0062","0.0005","9.0062","0.0005","23.1525","0.0012","90","","90","","120","","1626.34","0.15","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","Tridecasodium distrontium ditantalum nonaphosphate","","- Na13 O36 P9 Sr2 Ta2 -","- Na13 O36 P9 Sr2 Ta2 -","- Na26 O72 P18 Sr4 Ta4 -","2","0.166667","KY3148","Zhao, Ji; Zhao, Dan; Xue, Ya-Li; Zhong, Qiu; Zhang, Shi-Rui; Liu, Bao-Zhong","Novel tantalum phosphate Na~13~Sr~2~Ta~2~(PO~4~)~9~: synthesis, crystal structure, DFT calculations and Dy^3+^-activated fluorescence performance","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011877","","","0.71073","MoKα","","0.0208","0.0185","","","0.0416","0.0424","","","","","","1.064","","","","has coordinates,has Fobs","210220","2020-10-21","18:00:00",""
"2021214","11.16","0.002","12.917","0.003","18.551","0.006","90","","119.79","0.02","90","","2320.8","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,6-bis(pyridin-3-yl)-1,3,5-hexatriene-κ^2^<i>N</i>:<i>N</i>'](μ~3~-naphthalene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)zinc(II)]","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","YP3161","Zhou, Qian-Kun; Wang, Lin; Xu, Yun; Li, Ni-Ya","Construction and photoluminescence properties of a three-dimensional Zn^II^ coordination network based on naphthalene-1,4-dicarboxylic acid and 1,6-bis(pyridin-3-yl)-1,3,5-hexatriene","Acta Crystallographica Section C","2018","74","9","1053","1057","10.1107/S2053229618012068","","","0.71073","MoKα","","0.1231","0.0578","","","0.0968","0.119","","","","","","1.025","","","","has coordinates,has Fobs","210288","2020-10-21","18:00:00",""
"2021215","6.9584","0.0002","6.9584","0.0002","18.8979","0.0006","90","","90","","90","","915.02","0.05","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Cyclohexane-1,4-dicarboxamide","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","LY3070","García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A.","Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of <i>trans</i>-cyclohexane-1,4-dicarboxamide","Acta Crystallographica Section C","2018","74","10","1068","1078","10.1107/S2053229618011750","","","1.54184","CuKα","","0.0469","0.0442","","","","0.1295","","","","","","1.068","","","","has coordinates,has Fobs","211781","2020-10-21","18:00:00",""
"2021216","14.1301","0.0002","15.4385","0.0002","23.1563","0.0004","90","","98.9698","0.0015","90","","4989.71","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 As2 Mo6 N5 O30 -","- C30 H49 As2 Mo6 N5 O30 -","- C120 H196 As8 Mo24 N20 O120 -","4","1","QP3014","Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor","The new heteropolyoxometalate compound (C~6~H~8~N)~5~[HAs~2~Mo~6~O~26~(H~2~O)]·3H~2~O: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2018","74","10","1088","1093","10.1107/S2053229618012317","","","0.56087","AgKα","","0.0741","0.0435","","","0.0716","0.0795","","","","","","1.032","","","","has coordinates,has Fobs","211782","2020-10-21","18:00:00",""
"2021217","20.344","0.002","9.6384","0.0009","9.443","0.001","90","","101.06","0.003","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylisoxazol-5-yl)-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide","","- C18 H17 N3 O4 S -","- C18 H17 N3 O4 S -","- C72 H68 N12 O16 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.1088","0.056","","","0.1128","0.1354","","","","","","1.073","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021218","13.6043","0.0011","12.2399","0.0007","12.9506","0.0009","90","","103.854","0.002","90","","2093.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(5-Bromo-2-hydroxy-3-methoxybenzylidene)amino]-<i>N</i>-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide","","- C19 H18 Br N3 O5 S -","- C19 H18 Br N3 O5 S -","- C76 H72 Br4 N12 O20 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0888","0.0466","","","0.1051","0.1234","","","","","","1.016","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021219","13.297","0.002","15.095","0.003","6.4166","0.0013","90","","91.329","0.006","90","","1287.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-2-[(2-hydroxyphenylimino)methyl]-6-methoxyphenol","","- C14 H12 Br N O3 -","- C14 H12 Br N O3 -","- C56 H48 Br4 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0904","0.0394","","","0.0859","0.1023","","","","","","1.008","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021220","6.4158","0.0003","7.3886","0.0004","15.2636","0.0007","87.081","0.003","87.488","0.003","77.948","0.003","706.28","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-2-methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0663","0.0325","","","0.0622","0.0717","","","","","","1.021","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021221","23.689","0.002","7.6951","0.0007","7.3488","0.0007","90","","90","","90","","1339.6","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0593","0.037","","","0.0749","0.0841","","","","","","1.048","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021222","9.5004","0.0008","14.2911","0.0011","13.6497","0.0009","90","","97.524","0.002","90","","1837.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzoyl-2-[(5-fluoro-2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0943","0.0427","","","0.093","0.119","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021223","9.26395","0.00015","14.2886","0.0002","13.6476","0.0002","90","","96.7581","0.0015","90","","1793.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzoyl-2-[(2-hydroxybenzylidene)amino)]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","1.54184","CuKα","","0.0458","0.0419","","","0.1151","0.1202","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021224","9.0479","0.0007","10.1564","0.0008","12.3659","0.001","69.677","0.006","89.94","0.006","77.004","0.006","1034.62","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-[(2-Hydroxyphenylimino)methyl]phenol","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0614","0.0413","","","0.1012","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021226","6.934","0.0009","15.213","0.002","9.6882","0.0013","90","","105.496","0.005","90","","984.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[diaquacadmium(II)]-μ~3~-2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylato)]","","- C8 H7 Cd N2 O6 -","- C8 H7 Cd N2 O6 -","- C32 H28 Cd4 N8 O24 -","4","1","OV3115","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Zhang, Jun-Di; Yang, Huai-Xia","A new one-dimensional Cd^II^ coordination polymer incorporating 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","10","1128","1132","10.1107/S2053229618012603","","","0.71073","MoKα","","0.0306","0.0272","","","0.0786","0.0804","","","","","","1.092","","","","has coordinates,has Fobs","211783","2020-10-21","18:00:00",""
"2021227","9.446","0.0019","14.885","0.003","15.91","0.003","104.676","0.005","106.554","0.005","104.43","0.006","1945.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-(pyridine-1κ<i>N</i>)[μ-2,2'-sulfanediyldi(ethanethiolato)-κ^5^1κ^2^<i>S</i>^1^,<i>S</i>^3^:2κ^3^<i>S</i>^1^,<i>S</i>^2^,<i>S</i>^3^]dirhenium(I)","","- C15 H13 N O6 Re2 S3 -","- C15 H13 N O6 Re2 S3 -","- C60 H52 N4 O24 Re8 S12 -","4","2","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71069","MoKα","","0.0378","0.0308","","","0.0842","0.0908","","","","","","1.027","","","","has coordinates,has Fobs","211784","2020-10-21","18:00:00",""
"2021228","12.712","0.0005","17.105","0.0006","18.144","0.001","90","","91.47","0.002","90","","3943.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetraethylammonium <i>fac</i>-tris(μ-2-methoxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonylrhenium(I)]","","- C35 H41 N O9 Re2 S3 -","- C35 H41 N O9 Re2 S3 -","- C140 H164 N4 O36 Re8 S12 -","4","1","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71073","MoKα","","0.0435","0.0328","","","0.0634","0.0682","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","211784","2020-10-21","18:00:00",""
"2021229","8.0705","0.0018","12.588","0.003","19.096","0.004","79.209","0.005","86.351","0.005","73.384","0.005","1826","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')lanthanum","","- C42 H36 La N3 O6 -","- C42 H36 La N3 O6 -","- C84 H72 La2 N6 O12 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0787","0.0465","","","0.0829","0.0935","","","","","","0.964","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021230","11.1951","0.0006","14.8767","0.0008","15.1894","0.0008","69.758","0.001","74.797","0.001","69.502","0.001","2194.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^)neodymium tetrahydrofuran disolvate","","- C50 H52 N3 Nd O8 -","- C50 H52 N3 Nd O8 -","- C100 H104 N6 Nd2 O16 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0331","0.0269","","","0.0617","0.0638","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021231","12.1048","0.001","17.5475","0.0014","18.7959","0.0015","114.881","0.001","91.885","0.002","99.171","0.001","3553.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^2^<i>N</i>,<i>O</i>^1^-yttrium","","- C42 H36 N3 O6 Y -","- C42 H36 N3 O6 Y -","- C168 H144 N12 O24 Y4 -","4","2","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0995","0.0602","","","0.1351","0.1497","","","","","","1.046","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021232","18.7839","0.0014","13.3371","0.0009","20.1422","0.0014","90","","107.107","0.001","90","","4822.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-μ-methanolato-1:2κ^2^<i>O</i>:<i>O</i>-methanol-2κ<i>O</i>-(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^-diyttrium‒tetrahydrofuran‒methanol (1/1/1)","","- C49 H55 Cl2 N3 O10 Y2 -","- C49 H55 Cl2 N3 O10 Y2 -","- C196 H220 Cl8 N12 O40 Y8 -","4","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0974","0.0435","","","0.0895","0.1077","","","","","","1","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021233","14.542","0.003","15.366","0.003","15.487","0.003","108.34","0.03","106.19","0.03","108.77","0.03","2818.3","1.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato-2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^)sodiumyttrium chloroform disolvate","","- C58 H50 Cl6 N4 Na O8 Y -","- C58 H50 Cl6 N4 Na O8 Y -","- C116 H100 Cl12 N8 Na2 O16 Y2 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0819","0.0614","","","0.1615","0.1746","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021234","7.844","0.005","20.558","0.013","17.168","0.012","90","","90.93","0.02","90","","2768","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~2~-biphenyl-4,4'-diyldicarboxylato-κ^2^<i>O</i>^4^:<i>O</i>^4'^){μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)]","","- C34 H26 Co N4 O5 -","- C34 H26 Co N4 O5 -","- C136 H104 Co4 N16 O20 -","4","1","QS3075","Chen, Ning-Ning; Ni, Jian-Ling; Wang, Jun","A new two-dimensional Co^II^ coordination polymer based on bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether and biphenyl-4,4'-diyldicarboxylic acid: synthesis, crystal structure and photocatalytic degradation activity","Acta Crystallographica Section C","2018","74","10","1123","1127","10.1107/S2053229618012433","","","0.71073","MoKα","","0.0509","0.0384","","","0.0921","0.098","","","","","","1.072","","","","has coordinates,has Fobs","211791","2020-10-21","18:00:00",""
"2021235","12.8902","0.0008","21.9049","0.0013","8.8786","0.0005","90","","109.699","0.003","90","","2360.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-pbc)(HCOO)]~<i>n</i>~","Poly[(μ~2~-formato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)[μ~2~-4-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']zinc(II)]","","- C13 H9 N O4 Zn -","- C13 H9 N O4 Zn -","- C104 H72 N8 O32 Zn8 -","8","2","SK3707","Luo, Fuming; Tang, Guodong; Zhang, Jinfang","A new Zn^II^ coordination polymer based on 4-(pyridin-4-yl)benzoic and formic acids: <i>in-situ</i> synthesis, crystal structure and luminescence properties","Acta Crystallographica Section C","2018","74","10","1133","1137","10.1107/S205322961801269X","","","0.71073","MoKα","","0.052","0.0327","","","0.0839","0.0942","","","","","","1.062","","","","has coordinates,has Fobs","211789","2020-10-21","18:00:00",""
"2021236","5.5965","0.0008","10.7222","0.0017","15.71","0.003","90","","98.796","0.009","90","","931.6","0.3","299","1","299","1","","","","","","","","6","P 1 21 1","P 2yb","4","Disodium guanosine 5'-monophosphate tetrahydrate","","","- C10 H20 N5 Na2 O12 P -","- C10 H19 N5 Na2 O12 P -","- C20 H38 N10 Na4 O24 P2 -","2","1","UK3159","Tsubonoya, Masaaki; Murofushi, Akitaka; Yamamura, Shigefumi; Sugawara, Yoko","Crystal structure and sequential dehydration transitions of disodium guanosine 5'-monophosphate tetrahydrate","Acta Crystallographica Section C","2018","74","10","1153","1159","10.1107/S2053229618012639","","","0.7107","MoKα","","0.036","0.033","","","0.068","0.0711","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","211786","2020-10-21","18:00:00",""
"2021237","14.594","0.0009","14.594","0.0009","8.5522","0.0006","90","","90","","120","","1577.46","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hydrogen hexakis(μ-hydrogen phosphato)digermaniumtrirubidium","","- Ge2 H7 O24 P6 Rb3 -","- Ge2 H6 O24 P6 Rb3 -","- Ge6 H18 O72 P18 Rb9 -","3","0.166667","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0345","0.0308","","","0.0826","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021238","8.3453","0.0018","9.642","0.002","9.739","0.002","89.762","0.007","83.744","0.007","88.946","0.007","778.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium bis(μ-hydrogen phosphato)(μ-hydroxido)germanium","","- Cs Ge H3 O9 P2 -","- Cs Ge H3 O9 P2 -","- Cs4 Ge4 H12 O36 P8 -","4","2","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0191","0.0175","","","0.0398","0.0409","","","","","","1.132","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021239","7.8332","0.0018","10.401","0.002","12.166","0.003","76.05","0.02","84.86","0.02","79.63","0.02","945.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-[(4-chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C42 H38 Cl2 N4 O4 S2 -","2","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0557","0.0511","","","0.1352","0.1431","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021240","4.6074","0.0012","22.882","0.008","31.816","0.012","90","","92.41","0.05","90","","3351.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(4-Chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidin-5-yl}methanol","","- C19 H17 Cl N2 O S -","- C19 H17 Cl N2 O S -","- C152 H136 Cl8 N16 O8 S8 -","8","2","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.1052","0.0638","","","0.106","0.1202","","","","","","1.038","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021241","14.4729","0.0008","11.4849","0.0005","10.3302","0.0006","90","","104.605","0.005","90","","1661.6","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Chlorobenzyl)sulfanyl]-5,6-dimethyl-2-phenylpyrimidine","","- C19 H17 Cl N2 S -","- C19 H17 Cl N2 S -","- C76 H68 Cl4 N8 S4 -","4","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0722","0.0591","","","0.1538","0.1626","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021242","8.6718","0.0005","23.5083","0.0012","14.3939","0.0009","90","","102.962","0.002","90","","2859.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3<i>E</i>,5<i>E</i>)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H23 Cl2 F6 N O3 S -","- C29 H23 Cl2 F6 N O3 S -","- C116 H92 Cl8 F24 N4 O12 S4 -","4","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0744","0.0468","","","0.108","0.1257","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021243","8.5664","0.0006","10.0932","0.0008","14.3871","0.0012","90.59","0.004","98.592","0.004","97.309","0.004","1219.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F7 N O3 S -","- C27 H18 F7 N O3 S -","- C54 H36 F14 N2 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0913","0.0501","","","0.1104","0.1292","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021244","7.4346","0.0007","11.6714","0.0011","14.6479","0.0015","90.825","0.005","96.884","0.005","98.971","0.005","1245.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Nitrobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F6 N2 O5 S -","- C27 H18 F6 N2 O5 S -","- C54 H36 F12 N4 O10 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0871","0.0505","","","0.1111","0.129","","","","","","1.032","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021245","9.7338","0.0006","12.4558","0.0009","12.6397","0.0009","70.586","0.003","88.379","0.004","81.726","0.003","1429.97","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Cyanobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H20 Cl2 F6 N2 O3 S -","- C29 H20 Cl2 F6 N2 O3 S -","- C58 H40 Cl4 F12 N4 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0804","0.0456","","","0.095","0.1092","","","","","","1.005","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021247","23.073","0.004","12.9877","0.0019","34.994","0.005","90","","105.158","0.003","90","","10122","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexa-μ-isopropanolato-hexaisopropanolatodi-μ~3~-oxido-hexa-μ~3~-\ phenylphosphonato-heptatitanium tetrahydrate","","- C72 H122 O36 P6 Ti7 -","- C72 H112 O32 P6 Ti7 -","- C288 H448 O128 P24 Ti28 -","4","0.5","JR3016","Gao, Mei-Yan; Liu, Xiao-Xue; Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Synthesis and structural characterization of a dumbbell-like phenylphosphonate-stabilized Ti~7~‒oxide cluster","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010707","","","0.71073","MoKα","","0.0764","0.0673","","","0.2199","0.2347","","","","","","0.936","","","","has coordinates,has Fobs","211487","2020-10-21","18:00:00",""
"2021248","15.2871","0.0002","25.654","0.0003","24.9018","0.0004","90","","90.321","0.001","90","","9765.7","0.2","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H147 Mn Mo6 N6 O24 -","- C88 H147 Mn Mo6 N6 O24 -","- C352 H588 Mn4 Mo24 N24 O96 -","4","1","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.0616","0.0455","","","0.0916","0.1062","","","","","","0.616","","","","has coordinates","211488","2020-10-21","18:00:00",""
"2021249","37.884","0.006","13.9437","0.0009","25.336","0.003","90","","128.39","0.02","90","","10490","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H154 Mn Mo6 N5 O25 -","- C88 H140.508 Mn Mo6 N5 O25 -","- C352 H562.032 Mn4 Mo24 N20 O100 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.2078","0.0926","","","0.2269","0.3084","","","","","","0.987","","","","has coordinates,has disorder","211488","2020-10-21","18:00:00",""
"2021250","37.431","0.004","13.1303","0.0004","25.288","0.002","90","","127.639","0.015","90","","9842","2","151","2","151","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H150 Mn Mo6 N5 O25 -","- C84.5 H140 Mn Mo6 N5 O24 -","- C338 H560 Mn4 Mo24 N20 O96 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.1209","0.0672","","","0.1666","0.2039","","","","","","0.993","","","","has coordinates,has Fobs","211488","2020-10-21","18:00:00",""
"2021251","29.7184","0.0017","29.7184","0.0017","29.7184","0.0017","90","","90","","90","","26247","3","296","2","296.11","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Dodecakis(dimethylammonium) octakis(μ-benzene-1,3,5-tricarboxylato)hexa-μ-chlorido-tetracosa-μ-oxido-triacontaoxidotriacontavanadium","","- C96 H120 Cl6 N12 O102 V30 -","- C72 H24 Cl6 O102 V30 -","- C288 H96 Cl24 O408 V120 -","4","0.0208333","JR3007","Gong, Ya-Ru; Su, Zhong-Min; Wang, Xin-Long","A polyoxometalate-based metal‒organic polyhedron constructed from a {V5O9Cl} building unit with rhombicuboctahedral geometry","Acta Crystallographica Section C Structural Chemistry","2018","74","11","","","10.1107/S2053229618010689","","","0.71073","MoKα","","0.0349","0.0275","","","0.0738","0.0798","","","","","","1.082","","","","has coordinates,has Fobs","211489","2020-10-21","18:00:00",""
"2021252","16.0955","0.001","12.9013","0.0008","19.2456","0.0012","90","","101.664","0.001","90","","3913.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(enH)~2~[{Cu(2,2'-bipy)(en)}~2~(μ~4~-H~3~BiW~18~O~60~)], 5.5H~2~O","","- C28 H64 Bi Cu2 N12 O65.5 W18 -","- C28 H53.9996 Bi Cu2 N12 O62 W18 -","- C56 H107.999 Bi2 Cu4 N24 O124 W36 -","2","0.5","JR3009","He, Shuai; Xin, Ying; Li, Jiansheng; Zhu, Zaiming; Zhao, Peng; You, Wansheng","A novel two-dimensional layered Cu^2+^ complex based on Dawson-like [H~3~BiW~18~O~60~]^6{-^}: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961800935X","","","0.71073","MoKα","","0.0562","0.0355","","","0.0682","0.0741","","","","","","1.023","","","","has coordinates,has disorder","211490","2020-10-21","18:00:00",""
"2021253","10.6516","0.0005","12.7532","0.0006","13.073","0.0005","113.771","0.001","90.443","0.001","112.502","0.001","1473.65","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-copper(II) paratungstateB","","","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","1","0.5","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0394","0.0352","","","0.0948","0.0983","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021254","12.3758","0.0006","14.7752","0.0007","18.8919","0.0008","92.9341","0.0014","100.694","0.0014","94.1698","0.0015","3378.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-iron(II) pararungstateB","","","- Fe2.5 H62 Na5 O78 W12 -","- Fe2.5 H68 Na5 O78 W12 -","- Fe5 H136 Na10 O156 W24 -","2","1","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0262","0.0224","","","0.0566","0.0583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021255","32.303","0.004","25.546","0.003","13.561","0.002","90","","110.885","0.006","90","","10455","2","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diammonium tris(4-ethylpyridine)hexaformatooxidotrichromium α-silicododecatungstate","","- C54 H80 Cr6 N8 O69 Si W12 -","- C54 Cr6 N8 O69 Si W12 -","- C216 Cr24 N32 O276 Si4 W48 -","4","0.5","JR3010","Miyazawa, Satoru; Hosono, Reina; Osuga, Ryota; Kondo, Junko Nomura; Uchida, Sayaka","Effect of the ammonium ion on proton conduction in porous ionic crystals based on Keggin-type silicododecatungstate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008227","","","0.71075","MoKα","","0.0686","0.0577","","","0.1558","0.175","","","","","","1.111","","","","has coordinates,has Fobs","211519","2020-10-21","18:00:00",""
"2021256","22.5605","0.0013","11.4578","0.0006","32.7134","0.0013","90","","95.172","0.004","90","","8421.8","0.7","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","Hexahydride tetrapotassium hexadecasodium (germanodecatungstato)(phosphononatungstato)tetrazirconate heptatriacontahydrate","","- Ge2 H80 K4 Na16 O181 P2 W38 Zr4 -","- Ge2 K4 Na16 O181 P2 W38 Zr4 -","- Ge4 K8 Na32 O362 P4 W76 Zr8 -","2","0.5","JR3002","Zhang, Zhong; Wang, Yue-Lin; Yang, Guo-Yu","An unprecedented Zr-containing polyoxometalate tetramer with mixed trilacunary/dilacunary Keggin-type polyoxotungstate units","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618006538","","","0.71073","MoKα","","0.1143","0.0829","","","0.1877","0.2054","","","","","","1.038","","","","has coordinates,has Fobs","211520","2020-10-21","18:00:00",""
"2021257","26.3672","0.0011","13.0801","0.0005","20.6502","0.0008","90","","90","","90","","7122","0.5","83","2","83","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentakis(tetraethylammonium) azidododecavanadate nitromethane monosolvate","","- C41 H103 N9 O34 V12 -","- C41 H103 N9 O34 V12 -","- C164 H412 N36 O136 V48 -","4","1","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.7107","MoKα","","0.04","0.0368","","","0.0854","0.0882","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021258","19.272","0.003","24.785","0.003","14.552","0.004","90","","116.387","0.015","90","","6227","2","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium azidotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N10 O44 S6 V14 -","- C12 H64 N10 O44 S6 V14 -","- C48 H256 N40 O176 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0408","0.0361","","","0.0925","0.0977","","","","","","1.086","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021259","19.352","0.006","24.753","0.006","14.561","0.005","90","","116.537","0.006","90","","6240","3","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium cyanatotetradecavanadate dimethyl sulfoxide hexasolvate","","- C13 H64 N8 O45 S6 V14 -","- C13 H64 N8 O45 S6 V14 -","- C52 H256 N32 O180 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0606","0.0516","","","0.1353","0.1456","","","","","","1.064","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021260","19.3923","0.0007","24.9031","0.0009","14.5785","0.0005","90","","116.374","0.001","90","","6307.6","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium nitratotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N8 O47 S6 V14 -","- C12 H64 N8 O47 S6 V14 -","- C48 H256 N32 O188 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","1.54178","CuKα","","0.0577","0.0522","","","0.1327","0.1376","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021261","20.3334","0.0003","20.3334","0.0003","18.7836","0.0003","90","","90","","120","","6725.58","0.18","130","0.1","130","0.1","","","","","","","","8","R 3","R 3","146","","Sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)] silicododecatungstate dodecahydrate","","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C126 H54 Dy9 N18 Na3 O220.5 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.0975","0.0976","","","","","","1.022","","","","has coordinates","211522","2020-10-21","18:00:00",""
"2021262","18.119","0.003","18.119","0.003","21.078","0.003","90","","90","","120","","5992.8","1.6","100","2","100","2","","","","","","","","8","R 3","R 3","146","","Sodium aqua tris[tetraaqua(μ-4-hydroxypyridine-2,6-dicarboxylato)praseodymium(III)] silicododecatungstate dodecahydrate","","- C21 H53 N3 Na O80 Pr3 Si W12 -","- C21 H53.0016 N3 Na O79.9999 Pr3 Si W12 -","- C63 H159.005 N9 Na3 O240 Pr9 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","","0.71073","MoKα","","0.0357","0.0304","","","0.0645","0.0652","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211522","2020-10-21","18:00:00",""
"2021263","15.1172","0.001","15.1172","0.001","28.034","0.004","90","","90","","120","","5548.3","0.9","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0412","0.0339","","","0.0825","0.0851","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021264","14.981","0.009","14.981","0.009","27.897","0.017","90","","90","","120","","5422","6","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0523","0.0433","","","0.1057","0.1094","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021265","14.9855","0.0008","14.9855","0.0008","27.949","0.003","90","","90","","120","","5435.5","0.7","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0566","0.0461","","","0.1222","0.1284","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021266","14.9709","0.0018","14.9709","0.0018","27.952","0.003","90","","90","","120","","5425.5","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0916","0.0735","","","0.1591","0.1667","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021267","14.905","0.004","14.905","0.004","27.912","0.015","90","","90","","120","","5370","4","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0713","0.052","","","0.1272","0.1347","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021268","14.9066","0.0018","14.9066","0.0018","27.948","0.003","90","","90","","120","","5378.2","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0447","0.04","","","0.1067","0.1101","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021269","14.9349","0.0017","14.9349","0.0017","27.969","0.003","90","","90","","120","","5402.7","1","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0605","0.049","","","0.1234","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021270","14.962","0.002","14.962","0.002","27.974","0.005","90","","90","","120","","5423.3","1.4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0551","0.0477","","","0.1121","0.115","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021271","10.4179","0.0003","10.5225","0.0004","10.5988","0.0004","65.356","0.001","69.658","0.001","77.922","0.001","987.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.024","0.021","","","0.0638","0.0668","","","","","","0.968","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021272","9.1173","0.0011","10.3631","0.0014","10.7022","0.0015","85.653","0.005","77.403","0.005","83.439","0.005","979","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.0301","0.0213","","","0.0491","0.053","","","","","","1.028","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021273","11.385","0.003","14.121","0.003","15.126","0.004","69.259","0.003","82.422","0.004","88.086","0.004","2254.1","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H68 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","1","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0846","0.0568","","","0.1405","0.161","","","","","","1.046","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021274","21.317","0.007","18.533","0.006","22.838","0.008","90","","95.13","0.005","90","","8986","5","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C28 H70 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C28 H51 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C112 H204 Ca8 Fe8 Mo48 N16 Na4 O296 P32 -","4","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0393","0.0382","","","0.1103","0.1112","","","","","","1.063","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021275","11.8121","0.0009","22.6484","0.0016","16.0089","0.0012","90","","98.701","0.001","90","","4233.5","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Fe Mo12 N6 O70 P8 -","- C36 H68 Fe Mo12 N6 O70 P8 -","- C72 H136 Fe2 Mo24 N12 O140 P16 -","2","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.021","0.0195","","","0.0493","0.0502","","","","","","1.074","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021276","9.101","0.0006","13.177","0.0007","13.328","0.0007","70.334","0.004","89.469","0.003","86.582","0.004","1502.34","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-(4-Chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C15 H17 Cl N4 O -","- C15 H17 Cl N4 O -","- C60 H68 Cl4 N16 O4 -","4","2","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3<i>H</i>-imidazol-4(5<i>H</i>)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","","0.71073","MoKα","","0.0829","0.0507","","","0.1128","0.1275","","","","6.606","6.606","1.047","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021277","10.937","0.005","11.384","0.005","14.488","0.005","77.45","0.005","81.731","0.005","68.704","0.005","1636.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-[4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl]-1-methylpiperazin-1-ium 3-{5-[4-(diethylamino)benzylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propionate","","- C32 H37 Cl N6 O4 S2 -","- C32 H37 Cl N6 O4 S2 -","- C64 H74 Cl2 N12 O8 S4 -","2","1","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3<i>H</i>-imidazol-4(5<i>H</i>)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","x-ray","0.71069","MoKα","","0.0797","0.0502","","","0.1194","0.1416","","","","","","1.043","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021278","16.1062","0.0017","26.512","0.003","45.569","0.005","90","","90","","90","","19458","4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H152.95 Al Mo6 N5 O32.73 -","- C73 H152.952 Al Mo6 N5 O32.726 -","- C584 H1223.62 Al8 Mo48 N40 O261.808 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0766","0.0656","","","0.1392","0.1436","","","","","","1.238","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021279","21.8904","0.0006","23.9848","0.0006","37.719","0.001","90","","90","","90","","19803.9","0.9","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H150 Al Cl Mo6 N5 O36 -","- C71 H150 Al Cl Mo6 N5 O36 -","- C568 H1200 Al8 Cl8 Mo48 N40 O288 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0367","0.029","","","0.0708","0.0754","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021280","7.3942","0.0002","7.3942","0.0002","17.4657","0.0004","90","","90","","120","","826.99","0.04","100","1","100","1","","","","","","","","5","P 32","P 32","145","Cytisinium bromide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bromide","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C33 H45 Br3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0334","0.0273","","","0.0451","0.0466","","","","","","0.996","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021281","7.522","0.0002","7.522","0.0002","18.5124","0.0004","90","","90","","120","","907.11","0.04","295","2","295","2","","","","","","","","5","P 32","P 32","145","Cytisinium iodide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide","","- C11 H15 I N2 O -","- C11 H15 I N2 O -","- C33 H45 I3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0461","0.0494","","","","","","1.054","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021282","6.8719","0.0003","18.8925","0.0011","19.1239","0.0014","90","","90","","90","","2482.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinium perchlorate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium perchlorate","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C88 H120 Cl8 N16 O40 -","8","2","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.068","0.0506","","","0.1158","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021283","7.5105","0.0004","7.5353","0.0004","13.8994","0.0007","79.612","0.004","75.806","0.004","61.115","0.005","665.96","0.07","100","1","100","1","","","","","","","","5","P 1","P 1","1","Cytisinium iodide triiodide","Bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) iodide triiodide","","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","1","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0402","0.0336","","","0.0607","0.0631","","","","","","0.983","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021284","7.6327","0.0002","10.451","0.0002","7.6553","0.0002","90","","108.559","0.003","90","","578.9","0.03","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium chloride monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium chloride monohydrate","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C22 H34 Cl2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021285","7.7268","0.0004","10.4304","0.0004","8.0655","0.0004","90","","108.341","0.005","90","","617.01","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium iodide monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide monohydrate","","- C11 H17 I N2 O2 -","- C11 H17 I N2 O2 -","- C22 H34 I2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0849","0.0871","","","","","","1.08","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021286","7.6216","0.0002","10.4582","0.0002","8.4325","0.0003","90","","113.071","0.004","90","","618.38","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cytisinium nitrate monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium nitrate monohydrate","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C22 H34 N6 O10 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0269","0.0267","","","0.0742","0.0744","","","","","","1.085","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021287","10.78898","0.00014","7.84934","0.00011","14.37986","0.00017","90","","97.4435","0.0012","90","","1207.52","0.03","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","Hydrogen dicytisinium tribromide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) tribromide","","- C22 H31 Br3 N4 O2 -","- C22 H31 Br3 N4 O2 -","- C44 H62 Br6 N8 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0233","0.0233","","","0.0641","0.0641","","","","","","1.127","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021288","7.9767","0.0003","14.1131","0.0006","25.725","0.001","90","","90","","90","","2896","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide","Hydrogen bis(6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide","","- C22 H31 I3 N4 O2 -","- C22 H31 I3 N4 O2 -","- C88 H124 I12 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0588","0.0478","","","0.1323","0.1399","","","","","","0.998","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021289","7.8269","0.0002","19.3211","0.0006","19.9592","0.0005","90","","90","","90","","3018.32","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide diiodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide diiodide","","- C22 H31 I5 N4 O2 -","- C22 H31 I5 N4 O2 -","- C88 H124 I20 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0501","0.0525","","","","","","1.027","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021290","7.8686","0.0002","19.4183","0.0005","21.855","0.0006","90","","90","","90","","3339.33","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium bis(triodide) iodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) bis(triodide) iodide","","- C22 H31 I7 N4 O2 -","- C22 H31 I7 N4 O2 -","- C88 H124 I28 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0606","0.0487","","","0.1283","0.1347","","","","","","1.109","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021291","8.0018","0.0013","11.7602","0.0016","16.421","0.002","90","","90","","90","","1545.3","0.4","130","1","130","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinediium bis(perchlorate)","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bis(perchlorate)","","- C11 H16 Cl2 N2 O9 -","- C11 H16 Cl2 N2 O9 -","- C44 H64 Cl8 N8 O36 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.1127","0.0805","","","0.1903","0.2395","","","","","","1.248","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021292","7.3551","0.0003","16.5198","0.0005","7.4476","0.0003","90","","119.027","0.006","90","","791.25","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinediium dichloride trihydrate","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-ium dichloride trihydrate","","- C11 H22 Cl2 N2 O4 -","- C11 H22 Cl2 N2 O4 -","- C22 H44 Cl4 N4 O8 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0345","0.0296","","","0.0661","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021293","8.065","0.003","10.293","0.004","10.837","0.004","64.09","0.005","75.186","0.005","71.141","0.005","758.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Poly[diaquabis(2,2'-biimidazole)hexa-μ~3~-oxo-octa-μ~2~-oxo-hexaoxodicopper(II)hexamolybdate(VI)]","","","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","1","0.5","JR3022","Sang, Xiao-Jing; Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Zhang, Lan-Cui; Zhu, Zai-Ming","A new hexamolybdate-based copper‒2,2'-biimidazole coordination polymer serving as an acid catalyst and support for enzyme immobilization","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013037","","","0.71073","MoKα","","0.0215","0.018","","","0.0409","0.0424","","","","","","1.06","","","","has coordinates,has Fobs","211616","2020-10-21","18:00:00",""
"2021294","11.594","0.004","15.198","0.005","15.292","0.005","80.195","0.003","87.94","0.004","75.052","0.004","2565.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']terbium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Mo12 N7 O50 P Tb -","- C11 H31 Mo12 N7 O50 P Tb -","- C22 H62 Mo24 N14 O100 P2 Tb2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0382","0.0302","","","0.0781","0.0816","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021295","11.566","0.003","15.218","0.003","15.257","0.003","80.092","0.003","87.602","0.003","75.013","0.002","2555.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']dysprosium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Dy Mo12 N7 O50 P -","- C11 H31 Dy Mo12 N7 O50 P -","- C22 H62 Dy2 Mo24 N14 O100 P2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0561","0.0393","","","0.1026","0.1109","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021296","20.135","0.006","6.826","0.002","29.027","0.009","90","","100.759","0.014","90","","3919","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole","","- C22 H23 N3 S -","- C22 H23 N3 S -","- C176 H184 N24 S8 -","8","1","FN3273","Karakurt, Tuncay","Investigation of the molecular structure of 4-(3-methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole in the gas and solid phases","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013475","","","0.71073","MoKα","","0.0679","0.0527","","","0.1293","0.1386","","","","","","1.073","","","","has coordinates,has Fobs","211618","2020-10-21","18:00:00",""
"2021297","21.1233","0.0004","6.4503","0.0002","33.9243","0.0009","90","","95.453","0.002","90","","4601.3","0.2","116","2","116","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-methylbenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C22 H27 Cl F N3 O3 S -","- C22 H27 Cl F N3 O3 S -","- C176 H216 Cl8 F8 N24 O24 S8 -","8","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0636","0.0418","","","0.0936","0.1056","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021298","5.996","0.0001","41.1095","0.0005","10.4904","0.0002","90","","103.972","0.002","90","","2509.3","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(5-fluoro-3-methylbenzo[<i>b</i>]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C25 H28 Cl F2 N3 O3 S2 -","- C25 H28 Cl F2 N3 O3 S2 -","- C100 H112 Cl4 F8 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0438","0.0378","","","0.0893","0.0936","","","","","","1.053","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021299","21.8891","0.0003","6.958","0.0001","17.7899","0.0002","90","","109.558","0.001","90","","2553.15","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(6-fluorobenzo[<i>b</i>]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C24 H26 Cl2 F N3 O3 S2 -","- C24 H26 Cl2 F N3 O3 S2 -","- C96 H104 Cl8 F4 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0314","0.0274","","","0.0681","0.0711","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021300","5.7077","0.0002","9.7798","0.0003","41.228","0.0011","90","","91.123","0.002","90","","2300.91","0.12","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-chloro-4-fluorobenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C21 H23 Cl2 F2 N3 O3 S -","- C21 H23 Cl2 F2 N3 O3 S -","- C84 H92 Cl8 F8 N12 O12 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","0.71073","MoKα","","0.0674","0.0431","","","0.0888","0.1004","","","","","","1.046","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021301","8.768","0.003","11.935","0.004","9.001","0.003","90","","113.623","0.009","90","","863","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.065","0.0493","","","0.1259","0.1305","","","","","","0.952","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021302","6.5581","0.0015","7.8144","0.0018","17.137","0.005","90","","90","","90","","878.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.0316","0.0282","","","0.081","0.098","","","","","","1.17","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021303","9.2072","0.0008","15.0256","0.0013","13.6139","0.0012","90","","106.177","0.005","90","","1808.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tetraaquabis[μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-(benzene-1,4-dicarboxamido)dipropionato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>'']dicadmium(II)] trihydrate]","","- C28 H42 Cd2 N4 O19 -","- C28 H42 Cd2 N4 O19 -","- C56 H84 Cd4 N8 O38 -","2","1","SK3708","Zhang, Hong-Tao; Wang, Xiao-Long","A new twofold interpenetrated two-dimensional cadmium(II) coordination polymer constructed from 2,2'-(benzene-1,4-dicarboxamido)dipropionate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013967","","","0.71073","MoKα","","0.0483","0.0333","","","0.0585","0.0634","","","","","","1.004","","","","has coordinates,has Fobs","211623","2020-10-21","18:00:00",""
"2021304","24.775","0.004","5.5195","0.0007","8.1622","0.0013","90","","95.759","0.012","90","","1110.5","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.1381","0.0625","","","0.112","0.1364","","","","","","1.012","","","","has coordinates","211624","2020-10-21","18:00:00",""
"2021305","24.764","0.003","5.5162","0.0007","8.1487","0.0011","90","","95.705","0.012","90","","1107.6","0.2","283","2","283","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.206","0.0948","","","0.1173","0.1561","","","","","","1.002","","","","has coordinates","211625","2020-10-21","18:00:00",""
"2021306","24.74","0.002","5.5154","0.0006","8.1367","0.0008","90","","95.727","0.009","90","","1104.72","0.19","110","5","110","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.0895","0.049","","","0.1098","0.1331","","","","","","0.985","","","","has coordinates,has Fobs","211626","2020-10-21","18:00:00",""
"2021307","24.8153","0.0019","5.5146","0.0004","8.1513","0.0009","90","","95.719","0.009","90","","1109.92","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.136","0.073","","","0.1855","0.2432","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","211626","2020-10-21","18:00:00",""
"2021308","17.0498","0.0011","5.7778","0.0004","18.1012","0.0011","90","","117.359","0.0012","90","","1583.7","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tolnaftate","<i>O</i>-Naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YP3169","Ho, Douglas M.; Zdilla, Michael J.","The solid-state conformation of the topical antifungal agent <i>O</i>-naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013591","","","0.71073","MoKα","","0.0533","0.0377","","","0.0852","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","211627","2020-10-21","18:00:00",""
"2021309","10.5193","0.0003","12.2078","0.0004","8.8674","0.0003","90","","93.763","0.003","90","","1136.27","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Iodophenyl)carbonyl]morpholine","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C44 H48 I4 N4 O8 -","4","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0208","0.0173","","","0.0424","0.0437","","","","","","1.067","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021310","9.9577","0.0002","9.9577","0.0002","9.8213","0.0002","90","","90","","120","","843.37","0.03","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Bromophenyl)carbonyl]morpholine","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0231","0.0226","","","0.0564","0.0565","","","","","","1.048","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021311","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Chlorophenyl)carbonyl]morpholine","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0302","0.028","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","211628","2020-10-21","18:00:00",""
"2021312","7.3584","0.0005","7.2979","0.0005","37.576","0.002","90","","90","","90","","2017.9","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Fluorophenyl)carbonyl]morpholine","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0995","0.0459","","","0.0707","0.0852","","","","","","0.969","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021313","29.196","0.004","29.196","0.004","5.4212","0.001","90","","90","","120","","4002","1.1","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","2-Methyl-4-phenyl-1<i>H</i>-imidazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C180 H180 N36 -","18","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0863","0.0634","","","0.1823","0.2005","","","","","","1.102","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021314","10.4027","0.0015","18.093","0.002","11.1496","0.0016","90","","101.573","0.014","90","","2055.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-2-methyl-1<i>H</i>-imidazole hemihydrate","","- C10 H10 Cl N2 O0.5 -","- C10 H10 Cl N2 O0.5 -","- C80 H80 Cl8 N16 O4 -","8","2","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0887","0.0595","","","0.1619","0.183","","","","","","1.093","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021315","7.153","0.0011","7.4824","0.0014","21.437","0.003","90","","90","","90","","1147.3","0.3","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","4-(4-Methoxyphenyl)-2-methyl-1<i>H</i>-imidazole","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0965","0.0617","","","0.1619","0.1806","","","","","","1.056","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021316","11.1643","0.0011","3.8275","0.0004","17.2764","0.0016","90","","98.662","0.003","90","","729.82","0.12","130","","130","","","","","","","","","5","P 1 c 1","P -2yc","7","4-bromo-2-nitroaniline","4-Bromo-2-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","2","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of <i>meta</i>-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","MoKα","","0.062","0.041","","","0.0738","0.08","","","","","","1.02","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021317","4.4477","0.0002","11.4469","0.0004","13.8244","0.0005","90","","94.635","0.002","90","","701.53","0.05","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-bromo-6-nitroaniline","2-Bromo-6-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","1","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of <i>meta</i>-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","Mo-Kα","","0.0335","0.023","","","0.0464","0.0504","","","","","","1.038","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021318","9.5158","0.0005","9.6393","0.0004","11.0824","0.0007","88.441","0.004","71.611","0.005","81.106","0.004","952.78","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>^1^)copper(II)]","","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","1","0.5","OV3118","Potočňák, Ivan; Bukrynov, Oleksandr; Ráczová, Katarína; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal; Štarha, Pavel","Low-dimensional compounds containing cyanido groups. Part XXXV. Structure, spectral, thermal and magnetic properties of a binuclear Cu^II^‒biquinoline complex with bridging and terminal dicyanamide ligands","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801375X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0909","0.0945","","","","","","1.08","","","","has coordinates,has Fobs","211631","2020-10-21","18:00:00",""
"2021319","11.1485","0.0012","10.8671","0.0012","13.2125","0.0014","90","","107.631","0.002","90","","1525.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^)bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'':κ<i>O</i>}tricopper(II)]","","- C14 H18 Cu1.5 N O7 -","- C14 H18 Cu1.5 N O7 -","- C56 H72 Cu6 N4 O28 -","4","1","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0696","0.0374","","","0.084","0.0976","","","","","","1.009","","","","has coordinates,has Fobs","211679","2020-10-21","18:00:00",""
"2021320","16.0209","0.001","9.3823","0.0005","16.6801","0.0008","90","","99.563","0.004","90","","2472.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis{μ~4~-4,4'-[1,4-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''}bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'':κ<i>O</i>}tricopper(II)]","","- C52 H52 Cu3 N2 O18 -","- C52 H52 Cu3 N2 O18 -","- C104 H104 Cu6 N4 O36 -","2","0.5","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0551","0.0363","","","0.0866","0.0949","","","","","","1.026","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021321","22.1764","0.0011","38.1422","0.0019","23.9668","0.0015","90","","114.657","0.007","90","","18424","2","129.97","0.1","129.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H88 B3 Ba9 Co3 N6 O155 W33 -","- C18 H12 B3 Ba8 Co3 N6 O154 W33 -","- C72 H48 B12 Ba32 Co12 N24 O616 W132 -","4","1","JR3023","Xu, Jingjing; Gable, Robert W.; Ritchie, Chris","Targeted synthesis of a polypyridyl polyoxometalate coordination complex using microwave-assisted reaction conditions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801183X","","x-ray","1.54184","CuKα","","0.1933","0.12","","","0.2947","0.3339","","","","","","0.881","","","","has coordinates,has disorder,has Fobs","211680","2020-10-21","18:00:00",""
"2021322","10.8018","0.0015","11.6708","0.0016","14.248","0.002","93.707","0.002","105.555","0.002","116.417","0.002","1514.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dicarbonyldichloridobis[2-(4-methoxyphenyl)-1,8-naphthyridine-κ<i>N</i>^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C64 H48 Cl4 N8 O8 Ru2 -","2","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two <i>N</i>-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0485","0.0376","","","0.0856","0.0925","","","","","","1.044","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021323","19.106","0.003","12.1967","0.0016","29.42","0.004","90","","94.918","0.002","90","","6830.5","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dicarbonyldichloridobis[2-(2-methoxyphenyl)-1,8-naphthyridine-κ<i>N</i>^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C256 H192 Cl16 N32 O32 Ru8 -","8","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two <i>N</i>-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0643","0.0417","","","0.0921","0.1031","","","","","","0.98","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021324","20.764","0.002","6.6904","0.0006","24.174","0.003","90","","97.1","0.01","90","","3332.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C128 H136 N24 O24 S8 -","8","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1202","0.078","","","0.1359","0.1523","","","","","","1.239","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021325","6.7308","0.0007","10.322","0.001","13.723","0.002","75.562","0.008","85.556","0.009","75.046","0.008","891.94","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Bromobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Br N3 O3 S -","- C16 H16 Br N3 O3 S -","- C32 H32 Br2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0801","0.0692","","","0.1929","0.2076","","","","","","1.095","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021326","6.7101","0.0006","10.359","0.001","13.5","0.001","76.049","0.008","85.846","0.009","74.823","0.008","878.9","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0512","0.0409","","","0.1022","0.1101","","","","","","1.029","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021327","6.931","0.001","11.076","0.002","12.935","0.003","87.37","0.02","81.44","0.02","74.42","0.02","945.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(2-{2-[4-(Dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-4-methylbenzene-sulfonamide","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C36 H44 N8 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1799","0.0823","","","0.1219","0.146","","","","","","1.143","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021328","6.8887","0.0008","10.778","0.001","12.411","0.002","95.26","0.01","93.43","0.01","104.82","0.01","883.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Methoxybenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O4 S -","- C17 H19 N3 O4 S -","- C34 H38 N6 O8 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0556","0.0403","","","0.1003","0.1108","","","","","","1.06","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021329","9.643","0.008","10.934","0.009","11.787","0.009","95.776","0.015","94.925","0.016","91.207","0.017","1231.4","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>:<i>N</i>'](μ-1,3-phenylenediacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)] dihydrate]","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C48 H52 Cd2 N8 O12 -","2","1","LF3078","Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun","A new two-dimensional Cd^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 1,3-phenylenediacetic acid: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015061","","","0.71073","MoKα","","0.0738","0.0468","","","0.1041","0.1191","","","","","","0.964","","","","has coordinates,has Fobs","211884","2020-10-21","18:00:00",""
"2021330","11.9894","0.0003","13.6171","0.0004","14.3939","0.0004","89.467","0.0013","74.383","0.0012","68.125","0.0012","2089.34","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate heptane hemisolvate","","- C25.5 H29 N O2 -","- C25.5 H29 N O3 -","- C102 H116 N4 O12 -","4","2","LG3226","Macías, Mario A.; Sanabria, Elkin E.; Acosta-Quintero, Lina M.; Palma, Alirio; Suescun, Leopoldo","Observation of an infrequent enantiomer/conformer substitutional disorder in ethyl 13-ethyl-4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylate heptane hemisolvate","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618015152","","","1.54178","CuKα","","0.0661","0.0576","","","0.1483","0.1554","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","211885","2020-10-21","18:00:00",""
"2021331","7.6924","0.0015","10.128","0.002","12.24","0.002","84.85","0.03","85.98","0.03","83.7","0.03","942.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-<i>trans</i>-1,2-bis(pyridin-3-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']bis(μ~4~-4,4'-oxydibenzoato-κ^6^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'',<i>O</i>''')dicadmium(II)]","","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","1","0.5","QS3076","Li, Ni-Ya; Liu, Dong","Synthesis, structure and photoluminescence properties of a three-dimensional cadmium(II) (4,5)-connected coordination network","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015073","","","0.71073","MoKα","","0.0211","0.0193","","","0.0475","0.0486","","","","","","1.129","","","","has coordinates,has Fobs","211886","2020-10-21","18:00:00",""
"2021332","21.418","0.003","21.418","0.003","12.2911","0.0018","90","","90","","120","","4882.9","1.2","150","2","150","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","Pentasodium iron(III) silicate","","- Fe Na4.96 O12 Si4 -","- Fe Na4.96067 O12 Si4 -","- Fe18 Na89.292 O216 Si72 -","18","","FN3279","Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S.","Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O‒Fe~2~O~3~‒8SiO~2~ glass","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014353","","","0.71073","MoKα","","0.0308","0.0192","","","0.0436","0.0458","","","","","","1.013","","","","has coordinates,has Fobs","211917","2020-10-21","18:00:00",""
"2021333","10.3982","0.0015","10.3982","0.0015","38.858","0.008","90","","90","","120","","3638.5","1.1","293","2","293","2","","","","","","","synthesised by authors, see text","5","R -3 c :H","-R 3 2""c","167","","","","- Ag1.01 In Mo3 O12 Rb2 -","- Ag1.0089 In0.9971 Mo3 O12 Rb2 -","- Ag12.1068 In11.9652 Mo36 O144 Rb24 -","12","0.333333","LY3077","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Kadyrova, Yulia M.; Solodovnikova, Zoya A.; Yudin, Vasiliy N.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","New triple molybdate Rb~2~AgIn(MoO~4~)~3~: synthesis, framework crystal structure and ion-transport behaviour","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014717","","","0.71073","MoKα","","0.0326","0.0225","","","0.0548","0.0572","","","","","","1.009","","","","has coordinates,has Fobs","211918","2020-10-21","18:00:00",""
"2021334","8.768","0.007","11.115","0.002","22.3","0.04","90","","91.59","0.13","90","","2172","4","2.5","0.5","2.5","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 2.5 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutrons","","0.0463","0.038","","","0.0921","0.096","","","","","","1.145","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021335","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 170 K, X-ray constrained","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutron","","0.0741","0.0598","","","0.1276","0.1472","","","","","","1.219","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021336","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, X-ray data at 170 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.71073","MoKα","","0.0696","0.0522","","","0.1338","0.1462","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","211974","2020-10-21","18:00:00",""
"2021337","13.2358","0.0005","16.3228","0.0005","17.8925","0.0005","95.741","0.002","107.412","0.003","105.197","0.003","3492","0.2","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(perchlorate)‒dichloromethane‒methanol (1/1/2)","Bis{<i>N</i>-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3<i>H</i>-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(perchlorate)‒dichloromethane ‒methanol (1/1/2)","","- C67 H70 Br2 Cl4 Co N10 O14 -","- C67 H70 Br2 Cl4 Co N10 O14 -","- C134 H140 Br4 Cl8 Co2 N20 O28 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0764","0.0666","","","0.1807","0.1925","","","","","","1.032","","","","has coordinates,has Fobs","211975","2020-10-21","18:00:00",""
"2021338","13.182","0.0003","16.2426","0.0003","17.7898","0.0003","95.8495","0.0014","107.33","0.0016","104.713","0.0016","3451.2","0.13","99.98","0.15","99.98","0.15","","","","","","","","9","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","Bis{<i>N</i>-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3<i>H</i>-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C134 H140 B4 Br4 Cl4 Co2 F16 N20 O12 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0548","0.0494","","","0.132","0.1368","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","211975","2020-10-21","18:00:00",""
"2021339","7.1606","0.0004","7.2405","0.0003","28.2842","0.0014","90","","90","","90","","1466.43","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Methyl-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C56 H84 N12 O4 S4 -","4","1","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.077","0.0779","","","","","","1.116","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021340","11.4988","0.0008","13.5379","0.0011","22.3107","0.0016","90","","90","","90","","3473.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>,5<i>Z</i>)-5-[(Dimethylamino)methylidene]-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C16 H24 N4 O S -","- C16 H24 N4 O S -","- C128 H192 N32 O8 S8 -","8","2","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","","0.71073","MoKα","","0.0516","0.04","","","0.0926","0.0991","","","","","","1.026","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021341","10.2789","0.0005","10.8253","0.0004","15.02","0.0006","101.229","0.004","105.716","0.004","109.782","0.004","1436.22","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,4-diyl)bis(<i>O</i>,<i>O</i>'-diphenylphosphoramide)","","- C30 H32 N2 O6 P2 -","- C30 H32 N2 O6 P2 -","- C60 H64 N4 O12 P4 -","2","2","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.032","0.0299","","","0.0757","0.0775","","","","","","1.014","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021342","13.2517","0.0003","10.0091","0.0002","13.958","0.0003","90","","112.931","0.0012","90","","1705.05","0.06","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(<i>O</i>,<i>O</i>'-dimethylthiophosphoramidate)","","- C10 H18 N2 O4 P2 S2 -","- C10 H18 N2 O4 P2 S2 -","- C40 H72 N8 O16 P8 S8 -","4","1","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.0568","0.0423","","","0.1046","0.1148","","","","","","1.016","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021343","10.148","0.0009","11.2687","0.0011","11.5255","0.0012","90","","102.371","0.003","90","","1287.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0745","0.0493","","","0.1206","0.1344","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021344","5.6693","0.0012","7.642","0.003","30.891","0.007","90","","90.465","0.014","90","","1338.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0916","0.0524","","","0.1255","0.1443","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021345","4.9137","0.0003","15.0053","0.0009","17.7776","0.001","86.452","0.002","86.481","0.003","89.888","0.003","1305.79","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1142","0.0578","","","0.1528","0.1823","","","","","","1.041","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021346","6.0349","0.0002","7.3474","0.0002","16.6718","0.0005","93.255","0.001","98.722","0.001","104.473","0.001","704.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0316","0.0277","","","0.0717","0.0737","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021347","10.42","0.0008","12.5276","0.0011","11.2084","0.0009","90","","103.682","0.003","90","","1421.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C60 H44 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0688","0.0465","","","0.1183","0.1314","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021348","7.6122","0.0004","10.7586","0.0006","18.3363","0.0011","104.238","0.002","95.169","0.002","107.232","0.002","1368.51","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C68 H68 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0621","0.0514","","","0.1333","0.1417","","","","","","1.021","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021349","7.727","0.0015","8.9264","0.0017","10.491","0.002","97.989","0.007","96.215","0.007","106.294","0.007","679.5","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C34 H34 N4 -","1","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0495","0.0402","","","0.0922","0.096","","","","","","1.047","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021350","11.8988","0.0004","8.1189","0.0003","18.4205","0.0006","90","","98.961","0.002","90","","1757.8","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C76 H92 N16 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1272","0.0546","","","0.1199","0.1484","","","","","","1.001","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021351","7.5278","0.0008","10.1875","0.0011","12.0834","0.0013","104.338","0.005","95.713","0.005","98.717","0.004","878.3","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C38 H46 N8 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1042","0.0564","","","0.1424","0.1684","","","","","","1.015","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021352","4.0594","0.0003","10.8684","0.0008","20.7336","0.0015","102.079","0.006","94.047","0.006","94.299","0.006","888.48","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","Poly[[1-benzoyl-3-(4-bromophenyl)thiourea-κ<i>S</i>]-μ~3~-iodido-copper(I)] acetone hemisolvate","","- C15.5 H14 Br Cu I N2 O1.5 S -","- C15.5 H14 Br1.0004 Cu1.0004 I1.0004 N2 O1.5 S1.0004 -","- C31 H28 Br2.0008 Cu2.0008 I2.0008 N4 O3 S2.0008 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0687","0.0632","","","0.1677","0.1746","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","212003","2020-10-21","18:00:00",""
"2021353","12.688","0.0012","4.1152","0.0004","15.8952","0.0015","90","","100.258","0.008","90","","816.68","0.14","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[μ~4~-iodido-μ~3~-iodido-[<i>N</i>-(benzo[<i>d</i>]thiazol-2-yl)benzamide-κ<i>N</i>]dicopper(I)]","","- C14 H10 Cu2 I2 N2 O S -","- C14 H10 Cu2 I2 N2 O S -","- C28 H20 Cu4 I4 N4 O2 S2 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.1204","0.1205","","","","","","1.058","","","","has coordinates,has Fobs","212003","2020-10-21","18:00:00",""
"2021354","21.758","0.002","12.7682","0.0013","31.382","0.003","90","","109.191","0.005","90","","8233.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido)-1:2κ^2^<i>N</i>^1^,<i>N</i>^7^:κ<i>N</i>^7^; 1:2κ<i>N</i>^7^:κ^2^<i>N</i>^7^,<i>C</i>^6^-bis[(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)iron(II)]","","- C80 H72 Fe2 N12 -","- C80 H72 Fe2 N12 -","- C320 H288 Fe8 N48 -","4","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.1283","0.0761","","","0.169","0.1927","","","","","","1.034","","","","has coordinates,has Fobs","212004","2020-10-21","18:00:00",""
"2021355","15.9624","0.0012","15.8047","0.0011","32.747","0.002","90","","90","","90","","8261.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)bis(tetrahydrofuran-κ<i>O</i>)iron(II)","","- C48 H52 Fe N6 O2 -","- C48 H52 Fe N6 O2 -","- C384 H416 Fe8 N48 O16 -","8","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.0639","0.0427","","","0.1009","0.111","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","212004","2020-10-21","18:00:00",""
"2021356","12.984","0.002","6.2961","0.0011","21.265","0.004","90","","94.306","0.005","90","","1733.5","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>)-3-Chloro-10,13-dimethyl-17-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0553","0.0419","","","0.0861","0.0896","","","","","","1.059","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021357","8.0097","0.0006","14.8313","0.0012","20.5873","0.0015","90","","90","","90","","2445.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-Chloro-10,13-dimethyl-17-[(<i>R</i>)-6-methylheptan-2-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C28 H45 Cl O -","- C28 H45 Cl O -","- C112 H180 Cl4 O4 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0568","0.0396","","","0.0798","0.0853","","","","","","1.035","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021358","7.0444","0.0003","10.8756","0.0006","30.491","0.0014","90","","90","","90","","2335.98","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-4-[(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-chloro-4-formyl-10,13-dimethyl-12-oxo-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]pentanoate","","- C26 H37 Cl O4 -","- C26 H37 Cl O4 -","- C104 H148 Cl4 O16 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0711","0.0475","","","0.0838","0.0902","","","","","","1.056","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021359","8.1685","0.0001","11.4832","0.0002","30.7638","0.0004","99.9705","0.0005","94.1047","0.0005","90.9084","0.0006","2833.62","0.07","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole hemihydrate","","- C34 H38 N4 O -","- C34 H38 N4 O -","- C136 H152 N16 O4 -","4","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0443","0.0396","","","0.1065","0.1119","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212107","2020-10-21","18:00:00",""
"2021360","13.095","0.003","9.2984","0.0019","23.685","0.005","90","","93.95","0.03","90","","2877.1","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole methanol hemisolvate","","- C17.5 H18 N2 O0.5 -","- C17.5 H18 N2 O0.5 -","- C140 H144 N16 O4 -","8","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54184","CuKα","","0.0613","0.0548","","","0.1481","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021361","5.56861","0.00009","18.0016","0.0003","17.1528","0.0003","90","","97.8415","0.0007","90","","1703.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5,6-Dimethyl-2-styryl-1<i>H</i>-benzo[<i>d</i>]imidazolium hydrogen oxalate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0355","0.0321","","","0.0876","0.0899","","","","","","1.053","","","","has coordinates,has Fobs","212107","2020-10-21","18:00:00",""
"2021362","8.538","0.001","5.283","0.001","32.801","0.004","90","","99.692","0.005","90","","1458.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[4-(Bromomethyl)phenyl][4-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0461","0.0392","","","0.0854","0.0875","","","","","","1.154","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021363","20.379","0.003","8.6401","0.001","9.8451","0.001","90","","114.797","0.002","90","","1573.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1,2-Bis[4-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C56 H40 Br16 N8 -","4","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0301","0.0239","","","0.0539","0.0556","","","","","","1.023","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021364","9.1219","0.0012","16.904","0.002","10.3633","0.0014","90","","112.122","0.002","90","","1480.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[3-(Bromomethyl)phenyl][3-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0539","0.0408","","","0.098","0.1044","","","","","","1.03","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021365","4.899","0.002","8.294","0.002","9.942","0.003","98.103","0.004","103.64","0.003","96.65","0.003","384","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1,2-Bis[3-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","1","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0382","0.0327","","","0.0819","0.0847","","","","","","1.046","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021366","7.0161","0.0011","8.5634","0.0013","14.897","0.002","103.257","0.002","102.974","0.002","91.703","0.002","845.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-[3-(Dibromomethyl)phenyl][3-(tribromomethyl)phenyl]diazene","","- C14 H9 Br5 N2 -","- C14 H9 Br5 N2 -","- C28 H18 Br10 N4 -","2","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0674","0.0507","","","0.1287","0.1365","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","212108","2020-10-21","18:00:00",""
"2021367","4.6212","0.0001","12.5742","0.0004","19.3936","0.0006","90","","92.869","0.001","90","","1125.51","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Acetyl-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C10 H14 N2 O3 S -","- C10 H14 N2 O3 S -","- C40 H56 N8 O12 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0378","0.0295","","","0.0769","0.085","","","","","","1.051","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021368","4.914","0.0001","12.945","0.0003","9.763","0.0003","90","","103.474","0.001","90","","603.95","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Diethyl-5-propionyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C22 H32 N4 O6 S2 -","2","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.027","0.0265","","","0.0695","0.0703","","","","","","1.087","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021369","8.3816","0.0012","9.6258","0.0014","24.297","0.003","90","","90","","90","","1960.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl [1-(1,3-diethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate","","- C18 H29 N3 O5 S -","- C18 H29 N3 O5 S -","- C72 H116 N12 O20 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0303","0.0283","","","0.0688","0.0699","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","212130","2020-10-21","18:00:00",""
"2021370","4.8156","0.0002","21.7395","0.0007","15.1912","0.0005","90","","95.656","0.001","90","","1582.6","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-4,6-dioxo-2-thioxo-<i.N</i>-(<i>p</i>-tolyl)hexahydropyrimidine-5-carbothioamide","","- C16 H19 N3 O2 S2 -","- C16 H19 N3 O2 S2 -","- C64 H76 N12 O8 S8 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0395","0.0306","","","0.0732","0.0776","","","","","","1.041","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021371","12.8983","0.0004","9.8458","0.0003","18.2217","0.0006","90","","98.25","0.002","90","","2290.1","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(1-Aminoethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","2","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0399","0.0326","","","0.0832","0.0879","","","","","","1.026","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021372","4.9625","0.0003","10.6358","0.0007","23.2402","0.0015","90","","90","","90","","1226.62","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(1-Aminopropylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C44 H68 N12 O8 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0344","0.0323","","","0.0746","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021373","28.348","0.003","9.672","0.0009","7.5667","0.0008","90","","103.308","0.004","90","","2018.9","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzene-1,2-diaminium sulfate sesquihydrate","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0529","0.0434","","","0.1182","0.1253","","","","","","1.12","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2021374","5.7979","0.0019","9.866","0.004","15.421","0.006","90","","90","","90","","882.1","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Aminoanilinium perchlorate","","- C6 H9 Cl N2 O4 -","- C6 H9 Cl N2 O4 -","- C24 H36 Cl4 N8 O16 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0316","0.0292","","","0.0756","0.0771","","","","","","1.021","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021375","14.007","0.0011","11.6085","0.0009","7.2286","0.0005","90","","90","","90","","1175.37","0.15","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","benzene-1,3-diaminium tetrachloridozincate(II)","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C24 H40 Cl16 N8 Zn4 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKa","","0.0253","0.0236","","","0.0556","0.0566","","","","","","1.046","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021376","23.9306","0.0006","23.9322","0.0006","14.9917","0.0004","90","","113.485","0.0004","90","","7874.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetrakis(dimethylazanium) [tetrakis(μ~2~-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)dizinc(II)]]","","- C32 H40 N4 O20 Zn2 -","- C32 H40 N4 O20 Zn2 -","- C256 H320 N32 O160 Zn16 -","8","1","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0824","0.0372","","","0.0628","0.0645","","","","","","1.098","","","","has coordinates,has Fobs","212132","2020-10-21","18:00:00",""
"2021377","9.2803","0.0003","15.1916","0.0005","17.7731","0.0006","90","","96.4221","0.0006","90","","2489.97","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(dimethylazanium) [bis(μ~4~-furan-2,5-dicarboxylato-κ<i>O</i>^2^:κ<i>O</i>^2'^:κ<i>O</i>^5^:κ<i>O</i>^5^)bis(μ~3~-furan-2,5-dicarboxylato-κ<i>O</i>^2^:κ<i>O</i>^2'^:κ<i>O</i>^5^)dizinc(II)] dimethylformamide 3.08-solvate]","","- C37.25 H45.6 N5.1 O23.1 Zn3 -","- C37.252 H45.588 N5.084 O23.084 Zn3 -","- C74.504 H91.176 N10.168 O46.168 Zn6 -","2","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0522","0.0476","","","0.1131","0.1148","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212132","2020-10-21","18:00:00",""
"2021378","8.1252","0.0003","11.7042","0.0004","13.734","0.0005","65.864","0.004","84.716","0.003","88.191","0.003","1186.82","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]-<i>trans</i>-dichlorido(quinoline-κ<i>N</i>)platinum(II)","","- C24 H27 Cl2 N O4 Pt -","- C24 H27 Cl2 N O4 Pt -","- C48 H54 Cl4 N2 O8 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0406","0.0359","","","0.0706","0.0729","","","","","","1.12","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021379","8.3447","0.0002","11.9191","0.0004","12.9315","0.0005","63.296","0.004","84.618","0.003","76.484","0.003","1117.08","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0218","0.0207","","","0.0476","0.0481","","","","","","1.085","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021380","9.7858","0.0003","11.0447","0.0002","11.8117","0.0003","85.059","0.002","73.685","0.003","71.139","0.002","1159.41","0.06","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","{η^2^-4-Allyl-2-methoxy-1-[(propan-2-yloxy)carbonylmethoxy]benzene}chlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0189","0.0174","","","0.0398","0.0406","","","","","","1.102","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021381","15.6457","0.0013","9.7291","0.0004","16.6062","0.0008","90","","111.15","0.008","90","","2357.5","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C25 H26 Cl N O6 Pt -","- C25 H26 Cl N O6 Pt -","- C100 H104 Cl4 N4 O24 Pt4 -","4","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0528","0.0382","","","0.0775","0.0864","","","","","","1.075","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021382","9.6212","0.0005","13.4483","0.0007","19.7967","0.001","72.681","0.001","89.995","0.001","69.051","0.001","2267.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C112 H80 Cl8 N8 O8 -","8","4","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0425","0.0347","","","0.0931","0.0975","","","","","","1.086","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021383","12.7217","0.0008","4.8842","0.0003","19.9554","0.0014","90","","108.577","0.001","90","","1175.33","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.058","0.0409","","","0.1105","0.1213","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","212224","2020-10-21","18:00:00",""
"2021384","10.4274","0.0009","11.8586","0.001","9.1689","0.0008","90","","90.341","0.002","90","","1133.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0381","0.0344","","","0.0919","0.0937","","","","","","1.02","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021385","10.5605","0.0008","12.0485","0.0009","9.1939","0.0007","90","","89.288","0.002","90","","1169.72","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.054","0.0403","","","0.1015","0.1103","","","","","","0.934","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021386","11.1067","0.0007","13.3924","0.0008","8.0288","0.0005","90","","109.92","0.002","90","","1122.79","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0372","0.0322","","","0.0833","0.086","","","","","","1.021","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021387","11.1901","0.0002","13.6596","0.0003","8.0965","0.0002","90","","109.996","0.001","90","","1162.96","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0583","0.0447","","","0.1248","0.1313","","","","","","1.081","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021388","13.1008","0.0008","13.2084","0.0008","19.3147","0.0012","90","","90.701","0.002","90","","3342","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(3,4,5-trimethylimidazolium) di-μ~3~-iodido-tetra-μ~2~-iodido-decaiodidotetrabismuth(III)","","- C24 H44 Bi4 I16 N8 -","- C24 H44 Bi4 I16 N8 -","- C48 H88 Bi8 I32 N16 -","2","0.5","FN3280","Chen, Wei-Jun; Chu, Kai-Bin; Song, Jun-Ling","Low-dimensional bismuth(III) iodide hybrid material with high activity for the fast removal of rhodamine B","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016030","","","0.71073","MoKα","","0.0388","0.0287","","","0.0619","0.0673","","","","","","1.042","","","","has coordinates,has Fobs","212225","2020-10-21","18:00:00",""
"2021389","16.3612","0.0006","8.4646","0.0003","23.6668","0.0012","90","","108.718","0.005","90","","3104.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Hydroxy-<i>N</i>-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","2","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1121","0.059","","","0.1422","0.1598","","","","","","1.028","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021390","7.1048","0.0019","10.0882","0.0016","11.5171","0.0017","73.761","0.017","87.27","0.02","76.48","0.02","770.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-<i>N</i>-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1438","0.0881","","","0.2308","0.262","","","","","","1.016","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021391","30.5449","0.0013","14.2507","0.0005","48.6187","0.0017","90","","107.836","0.004","90","","20145.9","1.4","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C116 H90.6672 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C464 H362.669 As8 Cu32 Eu8 K8 N64 O470 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","x-ray","0.71073","MoKα","","0.1011","0.0635","","","0.1444","0.1739","","","","","","1.057","","","","has coordinates","212254","2020-10-21","18:00:00",""
"2021392","30.5038","0.0007","14.1439","0.0004","48.2029","0.0012","90","","108.131","0.003","90","","19764.2","0.9","190","20","190","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C464 H368 As8 Cu32 Gd8 K8 N64 O504 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0623","0.0449","","","0.092","0.1003","","","","","","1.081","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021393","30.4415","0.0007","14.0792","0.0003","48.0609","0.0014","90","","108.235","0.003","90","","19564.1","0.9","133","11","133","11","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C464 H368 As8 Cu32 K8 N64 O504 Tb8 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.067","0.0463","","","0.0897","0.0977","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021394","30.481","0.0006","14.104","0.0003","48.1783","0.0008","90","","108.247","0.002","90","","19670.6","0.7","134","12","134","12","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C464 H352 As8 Cu32 Dy8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0612","0.0461","","","0.0906","0.0963","","","","","","1.072","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021395","30.4802","0.0007","14.113","0.0003","48.116","0.0013","90","","108.169","0.003","90","","19665.9","0.9","172","60","172","60","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C464 H376 As8 Cu32 Ho8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0768","0.0474","","","0.0948","0.1057","","","","","","1.022","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021396","30.581","0.002","14.1638","0.0006","48.299","0.003","90","","108.273","0.007","90","","19865","2","140","20","140","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C464 H348 As8 Cu32 Er8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.1765","0.0872","","","0.1424","0.1832","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021397","6.6714","0.0005","7.3296","0.0008","12.987","0.0009","90.425","0.007","96.907","0.006","114.347","0.009","573.23","0.1","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒phthalic acid (1/1)","Pyrazine‒benzene-1,2-dicarboxylic acid (1/1)","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","YP3167","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0411","0.0359","","","0.0865","0.091","","","","","","1.057","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021398","7.7184","0.0009","9.9393","0.001","10.03","0.001","115.029","0.01","112.471","0.01","92.672","0.009","624","0.15","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid (1/1)","Pyrazine‒benzene-1,2,3-tricarboxylic acid (1/1)","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0862","0.092","","","","","","1.041","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021399","6.6537","0.0008","8.3316","0.0011","11.5433","0.0015","73.1","0.012","75.565","0.011","73.001","0.011","576.01","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid‒water (1/2/2)","Pyrazine‒benzene-1,2,3-tricarboxylic acid‒water (1/2/2)","","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","1","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0642","0.0526","","","0.1448","0.1601","","","","","","1.036","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021400","7.0481","0.0007","22.365","0.002","7.212","0.0007","90","","96.967","0.009","90","","1128.44","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine‒pyromellitic acid (3/1)","Pyrazine‒benzene-1,2,4,5-tetracarboxylic acid (3/1)","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0552","0.0406","","","0.0913","0.1028","","","","","","1.022","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021401","13.3054","0.0004","18.0281","0.0006","22.4544","0.0005","91.09","0.002","92.169","0.002","108.155","0.003","5111.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dodecasodium acetato(arsenotungstato)triaquacarbonato(ditungstato)sodiumdiyttrium dodecahyrate","","- C3 As2 Na12 O113 W20 Y2 -","- C3 As2 Na12 O113 W20 Y2 -","- C6 As4 Na24 O226 W40 Y4 -","2","1","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","","0.71073","MoKα","","0.1066","0.063","","","0.1052","0.1216","","","","","","1.021","","","","has coordinates","218928","2020-10-21","18:00:00",""
"2021402","23.3948","0.0006","24.5658","0.0005","18.6887","0.0005","90","","110.869","0.003","90","","10036","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diyttrium tripotassium tetrasodium triaquacarbonato(germanotungstato)triyttrium nonadecahydrate","","- C Ge2 K3 Na4 O95 W18 Y5 -","- C Ge2 K3 Na4 O95 W18 Y5 -","- C4 Ge8 K12 Na16 O380 W72 Y20 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0894","0.0935","","","","","","1.091","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021403","22.2367","0.0006","22.6726","0.0005","20.1786","0.0005","90","","111.037","0.003","90","","9495.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ytterbium octapotassiumdisodium triaquacarbonato(germanotungstato)triyttrium hexadecahydrate","","- C Ge2 K8 Na O93 W18 Yb4 -","- C Ge2 K8 Na O93 W18 Yb4 -","- C4 Ge8 K32 Na4 O372 W72 Yb16 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0551","0.0432","","","0.1049","0.111","","","","","","1.038","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021404","9.1561","0.0003","12.766","0.0005","15.1022","0.0005","83.03","0.003","75.313","0.003","83.972","0.003","1689.87","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","Piroxicam‒succinic acid‒acetonitrile (4/1/2)","4-Hydroxy-2-methyl-N-(pyridin-2-yl)-2H-1,2-benzothiazine-3-\ carboxamide 1,1-dioxide‒succinic acid‒acetonitrile (4/1/2)","","- C68 H64 N14 O20 S4 -","- C68 H64 N14 O20 S4 -","- C68 H64 N14 O20 S4 -","1","0.5","KU3231","Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.","An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules","Acta Crystallographica Section C","2019","75","1","29","37","10.1107/S2053229618016911","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.105","0.1107","","","","","","1.055","","","","has coordinates,has Fobs","213458","2020-10-21","18:00:00",""
"2021405","7.6779","0.0009","8.4177","0.0009","14.3934","0.001","79.528","0.008","74.65","0.008","72.82","0.01","851.61","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O12 S2 -","- C34 H32 N6 O12 S2 -","- C34 H32 N6 O12 S2 -","1","0.5","","Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.","An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules","Acta Crystallographica Section C","2019","75","1","29","37","10.1107/S2053229618016911","","x-ray","1.54184","CuKα","","0.0618","0.0548","","","0.1437","0.1538","","","","","","1.023","","","","has coordinates","213458","2020-10-21","18:00:00",""
"2021406","19.0698","0.0003","24.1017","0.0005","31.0577","0.0004","90","","90","","90","","14274.6","0.4","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","beta-cyclodextrin‒chlorogenic acid","β-Cyclodextrin‒chlorogenic acid‒water (2/2/17)","","- C116 H192.8 O105 -","- C116 H192.8 O105 -","- C464 H771.2 O420 -","4","0.5","UK3164","Aree, Thammarat","Inclusion complex of β-cyclodextrin with coffee chlorogenic acid: new insights from a combined crystallographic and theoretical study","Acta Crystallographica Section C","2019","75","1","15","21","10.1107/S2053229618016741","","","0.71073","MoKα","","0.1279","0.0693","","","0.1615","0.1956","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","213461","2020-10-21","18:00:00",""
"2021407","11.099","0.009","12.917","0.011","26.55","0.02","90","","90","","90","","3806","5","293","2","293","2","","","","","","","","5","P c a a","-P 2ac 2c","54","","Poly[[diaqua[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ-5,5'-methylenebis(3-carboxy-2,4,6-trimethylbenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^]zinc(II)] hemihydrate]","","- C42 H39 N4 O10.5 Zn -","- C42 H39.5 N4 O10.25 Zn -","- C168 H158 N16 O41 Zn4 -","4","0.5","SK3713","Chen, Zhen; Sun, Yanwen; Liu, Zi-an; Wang, Ning; Yang, Xue; You, Xiaomeng; Wang, Xiaozhong","A three-dimensional Zn^II^ coordination network based on 5,5'-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties","Acta Crystallographica Section C","2019","75","1","8","14","10.1107/S2053229618016285","","","0.71073","MoKα","","0.0766","0.0461","","","0.1206","0.1386","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","213462","2020-10-21","18:00:00",""
"2021408","16.357","0.013","3.712","0.003","22.723","0.019","90","","101.72","0.03","90","","1350.9","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4(3<i>H</i>)-one monohydrate","","- C5 H7 N5 O2 -","- C5 H7 N5 O2 -","- C40 H56 N40 O16 -","8","1","YF3153","Laos, Roberto; Lampropoulos, Christos; Benner, Steven A.","The surprising pairing of 2-aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4-one, a component of an expanded DNA alphabet","Acta Crystallographica Section C","2019","75","1","22","28","10.1107/S2053229618016923","","","0.71073","MoKα","","0.0824","0.0595","","","0.1548","0.1663","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","213463","2020-10-21","18:00:00",""
"2021409","5.6126","0.0003","10.0683","0.0004","27.2349","0.0012","90","","90.095","0.002","90","","1539.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0617","0.0479","","","0.1216","0.1298","","","","","","1.021","","","","has coordinates,has Fobs","213465","2020-10-21","18:00:00",""
"2021410","9.4452","0.0019","9.5489","0.0019","21.039","0.004","90","","95.26","0.03","90","","1889.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium chloride dihydrate","","- C19 H21 Cl N4 O3 -","- C19 H21 Cl N4 O3 -","- C76 H84 Cl4 N16 O12 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0508","0.0406","","","0.1074","0.113","","","","","","1.035","","","","has coordinates,has Fobs","213465","2020-10-21","18:00:00",""
"2021411","9.5556","0.0004","9.305","0.0004","22.2715","0.001","90","","96.048","0.002","90","","1969.25","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium nitrate dihydrate","","- C19 H21 N5 O6 -","- C19 H21 N5 O6 -","- C76 H84 N20 O24 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.1052","0.0575","","","0.1213","0.1395","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","213465","2020-10-21","18:00:00",""
"2021412","13.0053","0.0004","7.7965","0.0002","20.8703","0.0007","90","","107.887","0.001","90","","2013.87","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium thiocyanate 2.5-hydrate","","- C20 H22 N5 O3.5 S -","- C20 H22 N5 O3.5 S -","- C80 H88 N20 O14 S4 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0743","0.0493","","","0.1179","0.1309","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","213465","2020-10-21","18:00:00",""
"2021413","7.7728","0.0006","14.676","0.002","13.632","0.002","90","","91.11","0.01","90","","1554.8","0.3","","","","","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","","TETRABROMOBIS(DIMETHYL SULFOXIDE)TIN(IV)","","- C4 H12 Br4 O2 S2 Sn -","- C4 H12 Br4 O2 S2 Sn -","- C16 H48 Br16 O8 S8 Sn4 -","4","1","","Gregorkiewitz M; Tudela D","STRUCTURE AND PSEUDOSYMMETRY OF TETRABROMOBIS(DIMETHYL SULFOXIDE)TIN(IV)","Acta Crystallographica C","1990","46","","210","213","","powder diffraction","","0.71069","","","","0.076","","","0.047","","","","","","","","","","","has coordinates","212489","2020-10-21","18:00:00",""
"2021415","12.3448","0.0014","9.9435","0.0013","16.9904","0.0019","90","","90","","90","","2085.6","0.4","100","2","99.98","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Propylenediaminium ethylenedinitramine","Propane-1,3-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C5 H16 N6 O4 -","- C5 H16 N6 O4 -","- C40 H128 N48 O32 -","8","1","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0737","0.0461","","","0.1022","0.1147","","","","","","1.016","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021416","5.408","0.003","7.203","0.004","14.288","0.008","90","","98.03","0.03","90","","551.1","0.5","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Putrescine ethylenedinitramine","Butane-1,4-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C6 H18 N6 O4 -","- C6 H18 N6 O4 -","- C12 H36 N12 O8 -","2","0.5","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0332","0.0308","","","0.0842","0.0861","","","","","","1.068","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021417","9.8247","0.0002","15.2829","0.0004","15.9914","0.0004","109.498","0.002","103.761","0.002","106.11","0.002","2024.57","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Eu N9 O19 -","- C40 H28 Eu N9 O19 -","- C80 H56 Eu2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0266","0.0232","","","0.0552","0.0565","","","","","","1.058","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021418","9.8335","0.0006","15.3314","0.0009","16.0227","0.0013","109.641","0.006","103.642","0.006","106.064","0.005","2036.8","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Gd N9 O19 -","- C40 H28 Gd N9 O19 -","- C80 H56 Gd2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0482","0.041","","","0.0831","0.0852","","","","","","0.901","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021419","9.8244","0.0005","15.2522","0.0007","15.9247","0.0007","109.461","0.004","103.6","0.004","106.05","0.004","2016.2","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Dy N9 O19 -","- C40 H28 Dy N9 O19 -","- C80 H56 Dy2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0553","0.0411","","","0.0863","0.0909","","","","","","1.015","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021420","9.8242","0.0002","15.2333","0.0003","15.8956","0.0004","109.532","0.002","103.449","0.002","106.019","0.002","2011.59","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Er N9 O19 -","- C40 H28 Er N9 O19 -","- C80 H56 Er2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0251","0.0226","","","0.0546","0.0556","","","","","","1.022","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021421","14.9367","0.0007","15.791","0.0007","33.5896","0.0001","90","","100.123","0.002","90","","7799.3","0.5","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","YP3171","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0434","0.0434","","","0.0959","0.1101","","","","","","0.935","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021422","14.9367","0.0007","15.791","0.0007","33.5896","0.0001","90","","100.123","0.002","90","","7799.3","0.5","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0524","0.0524","","","0.116","0.1283","","","","","","1.075","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021423","14.9367","0.0007","15.791","0.0007","33.5896","0.0016","90","","100.123","0.002","90","","7799.3","0.6","297","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0979","0.0511","","","0.1174","0.1405","","","","","","1.013","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021427","9.0917","0.0003","9.0917","0.0003","68.392","0.003","90","","90","","90","","5653.2","0.4","125","2","125","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]-6-methylphenol dimethyl sulfoxide disolvate","","- C30 H36 N2 O3 S2 -","- C30 H36 N2 O3 S2 -","- C240 H288 N16 O24 S16 -","8","1","FN3286","Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes","Acta Crystallographica Section C","2019","75","1","65","69","10.1107/S2053229618017758","","","1.54178","CuKα","","0.0255","0.0254","","","0.0662","0.0663","","","","","","1.09","","","","has coordinates,has Fobs","213459","2020-10-21","18:00:00",""
"2021428","8.9836","0.0009","10.9082","0.0011","15.782","0.0016","72.406","0.002","83.232","0.002","83.086","0.002","1458.1","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]-4,6-dichlorophenol dimethyl sulfoxide disolvate","","- C29 H32 Cl2 N2 O3 S2 -","- C29 H32 Cl2 N2 O3 S2 -","- C58 H64 Cl4 N4 O6 S4 -","2","1","FN3286","Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes","Acta Crystallographica Section C","2019","75","1","65","69","10.1107/S2053229618017758","","","0.71073","MoKα","","0.0995","0.0486","","","0.1016","0.12","","","","","","1.015","","","","has coordinates,has Fobs","213459","2020-10-21","18:00:00",""
"2021429","8.8185","0.0004","17.4773","0.0007","7.9793","0.0004","90","","108.328","0.005","90","","1167.41","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-6,7-dihydro-5<i>H</i>-2,3-dioxa-2aλ^4^-selenacyclopenta[<i>hi</i>]\ indene","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","1","","Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures","Acta Crystallographica Section C","2019","75","1","","","10.1107/S2053229618014833","","","0.71073","MoKα","","0.0964","0.0498","","","0.0971","0.1176","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","212759","2020-10-21","18:00:00",""
"2021430","7.1083","0.0002","13.8408","0.0003","12.5601","0.0004","90","","92.663","0.002","90","","1234.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-5,6-dihydro-4<i>H</i>-benzo[<i>c</i>][1,2]oxaselenole-7-carbaldehyde","","- C14 H12 O Se2 -","- C14 H12 O Se2 -","- C56 H48 O4 Se8 -","4","1","","Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures","Acta Crystallographica Section C","2019","75","1","","","10.1107/S2053229618014833","","","0.71073","MoKα","","0.0607","0.0552","","","0.1404","0.1469","","","","","","1.066","","","","has coordinates,has Fobs","212759","2020-10-21","18:00:00",""
"2021431","16.0344","0.0003","5.4375","0.0001","17.8512","0.0003","90","","100.731","0.002","90","","1529.18","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","KY3155","Rossi, Patrizia; Paoli, Paola; Chelazzi, Laura; Conti, Luca; Bencini, Andrea","The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation","Acta Crystallographica Section C Structural Chemistry","2019","75","2","","","10.1107/S2053229618017084","","","1.54184","CuKα","","0.0767","0.0499","","","0.0992","0.1207","","","","","","1.037","","","","has coordinates,has Fobs","213095","2020-10-21","18:00:00",""
"2021432","8.128","0.0002","8.2147","0.0001","32.9809","0.0006","90","","90.252","0.002","90","","2202.08","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-((<i>E</i>)-{(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1-methyl-1<i>H</i>-indole acetonitrile monosolvate","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","OV3117","Tan, Xue-Jie; Zhang, Ling-Yao; Sun, Yuan-Kai; Zhou, Xue-Min","Synthesis, structure and antiproliferative and optical activities of two new biphenyl-derived Schiff bases","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618017989","","","0.71073","MoKα","","0.0607","0.0525","","","0.1403","0.1505","","","","","","1.024","","","","has coordinates,has Fobs","213096","2020-10-21","18:00:00",""
"2021435","8.8247","0.0003","26.4201","0.0007","8.7393","0.0004","90","","103.07","0.004","90","","1984.78","0.13","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine hydrochloride succinic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride succinic acid monosolvate","","- C38 H48 Cl2 N4 O4 S2 -","- C38 H48 Cl2 N4 O4 S2 -","- C76 H96 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0782","0.0721","","","0.2084","0.214","","","","","","1.079","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2021436","8.7741","0.0003","25.8762","0.0007","8.6007","0.0003","90","","102.92","0.003","90","","1903.27","0.11","103","2","103.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine Hydrochloride fumaric acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride fumaric acid monosolvate","","- C38 H46 Cl2 N4 O4 S2 -","- C38 H46 Cl2 N4 O4 S2 -","- C76 H92 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0527","0.0401","","","0.0991","0.1074","","","","","","1.075","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021437","8.8988","0.0002","27.7992","0.0005","8.7933","0.0002","90","","103.484","0.002","90","","2115.32","0.08","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine Hydrochloride adipic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride adipic acid monosolvate","","- C40 H52 Cl2 N4 O4 S2 -","- C40 H52 Cl2 N4 O4 S2 -","- C80 H104 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0468","0.039","","","0.101","0.107","","","","","","1.062","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021438","10.5507","0.0002","12.4382","0.0002","14.2966","0.0003","90","","100.445","0.002","90","","1845.08","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Promethazine hydrochloride oxalic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride oxalic acid hemisolvate","","- C36 H44 Cl2 N4 O4 S2 -","- C36 H44 Cl2 N4 O4 S2 -","- C72 H88 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0419","0.0374","","","0.1007","0.1057","","","","","","1.045","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021439","8.684","0.0005","11.3871","0.0005","20.0923","0.0011","104.106","0.004","90.386","0.004","108.34","0.005","1821.53","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Promethazine oxalic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium hydrogen oxalate","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","2","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0709","0.0566","","","0.1708","0.1854","","","","","","1.227","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021440","5.5235","0.0002","9.4385","0.0004","10.4633","0.0005","70.769","0.004","75.984","0.004","89.624","0.003","498.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>o</i>-Anisidinium dihydroarsenate","2-Methoxyanilinium dihydrogen arsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C14 H24 As2 N2 O10 -","2","1","KU3230","Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor","Crystallographic and computational studies of a new organoarsenate compound: <i>o</i>-anisidinium dihydroarsenate","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000172","","","1.54184","CuKα","","0.0348","0.0346","","","0.0829","0.083","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","213221","2020-10-21","18:00:00",""
"2021441","6.9452","0.0002","7.8334","0.0001","9.9918","0.0002","98.677","0.002","97.359","0.001","111.725","0.001","489.093","0.019","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","Poly[[(3-aminopyrazin-4-ium-2-carboxylate-κ^2^<i>N</i>^1^,<i>O</i>)di-μ-chlorido-cadmium(II)] monohydrate]","","- C5 H7 Cd Cl2 N3 O3 -","- C5 H7 Cd Cl2 N3 O3 -","- C10 H14 Cd2 Cl4 N6 O6 -","2","1","FP3058","Bouchene, Rafika; Bouacida, Sofiane","Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018132","","x-ray","0.71073","MoKα","","0.0248","0.022","","","0.0458","0.0473","","","","","","1.043","","","","has coordinates,has Fobs","213222","2020-10-21","18:00:00",""
"2021442","7.2637","0.0002","17.7011","0.0005","24.3144","0.0005","90","","90","","90","","3126.24","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","Poly[2-amino-3-carboxypyrazin-1-ium [(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)di-μ-chlorido-cadmium(II)] monohydrate]","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C80 H96 Cd8 Cl16 N48 O40 -","8","1","FP3058","Bouchene, Rafika; Bouacida, Sofiane","Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018132","","x-ray","0.71073","MoKα","","0.0342","0.0285","","","0.0781","0.082","","","","","","0.919","","","","has coordinates,has Fobs","213222","2020-10-21","18:00:00",""
"2021443","10.3236","0.0004","10.3236","0.0004","3.12244","0.00015","90","","90","","120","","288.2","0.02","293","","293","","","","","","","","","4","P -6 2 m","P -6 -2","189","Hexacobalt(II) bicarbonate octahydroxide monohydrate","Hexacobalt(II) bis(carbonate) octahydroxide monohydrate","","- C2 H10 Co6 O15 -","- C2 Co6 O15 -","- C2 Co6 O15 -","1","0.0833333","SK3716","Prateek Bhojane; Armel Le Bail; Parasharam M. Shirage","A quarter of a century after its synthesis and with >200 papers based on its use, `Co(CO~3~)~0.5~(OH)\χdot0.11H~2~O' proves to be Co~6~(CO~3~)~2~(OH)~8~\χdotH~2~O from synchrotron powder diffraction data","Acta Crystallographica, Section C","2019","75","1","61","64","10.1107/S2053229618017734","powder diffraction","","0.8077","synchrotron","","","","","","","","","","1.9579","","","","","","","has coordinates,has Fobs","213232","2020-10-21","18:00:00",""
"2021444","12.829","0.005","15.854","0.006","20.769","0.006","90","","122.215","0.018","90","","3574","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]cadmium(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate methanol monosolvate]","","- C27 H21 Cd N5 O9 -","- C27 H21 Cd N5 O9 -","- C108 H84 Cd4 N20 O36 -","4","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.0694","0.0556","","","0.1273","0.136","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","213285","2020-10-21","18:00:00",""
"2021445","8.342","0.004","13.903","0.006","23.568","0.01","86.84","0.006","89.264","0.006","78.826","0.006","2677","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]bis[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>':<i>N</i>]dicadmium(II)] <i>N</i>,<i>N</i>-dimethylacetamide disolvate monohydrate]","","- C38 H24 Cd2 N6 O14 -","- C38 H24 Cd2 N6 O14 -","- C76 H48 Cd4 N12 O28 -","2","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.114","0.0682","","","0.1531","0.1682","","","","","","0.924","","","","has coordinates,has Fobs","213285","2020-10-21","18:00:00",""
"2021446","11.866","0.007","12.259","0.007","14.248","0.014","98.341","0.009","93.604","0.009","117.018","0.006","1807","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquanickel(II)]-bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>N</i>]] <i>N</i>,<i>N</i>-dimethylacetamide disolvate]","","- C32 H36 N6 Ni O12 -","- C32 H36 N6 Ni O12 -","- C64 H72 N12 Ni2 O24 -","2","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.0592","0.0465","","","0.1286","0.1358","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","213285","2020-10-21","18:00:00",""
"2021447","7.7926","0.0005","8.2969","0.0005","9.7964","0.0009","73.953","0.002","76.973","0.002","71.184","0.001","569.67","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[aqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)(μ~2~-4,4'-bipyridine)dizinc(II)]","","- C26 H18 N2 O10 Zn2 -","- C26 H18 N2 O10 Zn2 -","- C26 H18 N2 O10 Zn2 -","1","0.5","SK3720","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Han, Chun; Wang, Zhi-Jun","Synthesis, structure and selective luminescence sensing for iron(III) ions of a three-dimensional zinc(II) (4,6)-connected coordination network","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000767","","","0.71073","MoKα","","0.0604","0.0373","","","0.07","0.0759","","","","","","1.037","","","","has coordinates,has Fobs","213286","2020-10-21","18:00:00",""
"2021448","9.1926","0.0002","10.6101","0.0002","14.8057","0.0003","94.188","0.001","97.716","0.001","114.409","0.001","1289.8","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)zinc(II)","","- C28 H26 Cl2 N2 O4 Zn -","- C28 H26 Cl2 N2 O4 Zn -","- C56 H52 Cl4 N4 O8 Zn2 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0552","0.0353","","","0.0771","0.084","","","","","","1.016","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021449","9.2709","0.0019","10.02","0.002","16.248","0.004","98.56","0.04","100.5","0.04","110.09","0.03","1356.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)zinc(II)","","- C28 H26 I2 N2 O4 Zn -","- C28 H26 I2 N2 O4 Zn -","- C56 H52 I4 N4 O8 Zn2 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.1274","0.0667","","","0.159","0.1947","","","","","","0.99","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021450","9.2772","0.0003","10.0935","0.0003","16.1021","0.0005","97.699","0.002","100.586","0.002","111.149","0.002","1348.92","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dibromidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)cadmium(II)","","- C28 H26 Br2 Cd N2 O4 -","- C28 H26 Br2 Cd N2 O4 -","- C56 H52 Br4 Cd2 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.058","0.0404","","","0.1133","0.1262","","","","","","1.028","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021451","9.32","0.0003","10.0498","0.0003","16.6239","0.0005","99.14","0.001","100.528","0.001","109.332","0.001","1403.58","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]\ methyl}phenolato-κ<i>O</i>)cadmium(II)","","- C28 H26 Cd I2 N2 O4 -","- C28 H26 Cd I2 N2 O4 -","- C56 H52 Cd2 I4 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0511","0.0329","","","0.0613","0.0669","","","","","","1.029","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021452","9.2456","0.0004","10.151","0.0004","15.8499","0.0006","96.5447","0.0015","99.7441","0.0015","112.674","0.0014","1326.25","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)mercury(II)","","- C28 H26 Cl2 Hg N2 O4 -","- C28 H26 Cl2 Hg N2 O4 -","- C56 H52 Cl4 Hg2 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0261","0.0218","","","0.0505","0.052","","","","","","1.034","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021453","9.2783","0.0014","10.006","0.0015","16.695","0.003","98.777","0.001","100.296","0.001","109.396","0.001","1400.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)mercury(II)","","- C28 H26 Hg I2 N2 O4 -","- C28 H26 Hg I2 N2 O4 -","- C56 H52 Hg2 I4 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.039","0.0322","","","0.0978","0.1124","","","","","","1.08","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021454","8.858","0.006","9.328","0.005","10.526","0.006","96.039","0.018","112.651","0.019","108.99","0.03","732","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>RS</i>,4<i>SR</i>)-7-chloro-4-(2-chloroacetoxy)-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>]azepine-2-carboxylate","","- C14 H15 Cl2 N O4 -","- C14 H15 Cl2 N O4 -","- C28 H30 Cl4 N2 O8 -","2","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0304","0.0279","","","0.0703","0.0718","","","","","","1.072","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021455","9.198","0.006","10.586","0.007","15.223","0.011","90","","105.56","0.02","90","","1427.9","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(4a<i>RS</i>,6<i>SR</i>)-9-chloro-6-hydroxy-3-(2-hydroxyethyl)-2,3,4a,5,6,7-hexahydrobenzo[<i>f</i>]pyrazino[1,2-<i>a</i>]azepine-1,4-dione","","- C15 H17 Cl N2 O4 -","- C15 H17 Cl N2 O4 -","- C60 H68 Cl4 N8 O16 -","4","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0348","0.031","","","0.0751","0.0773","","","","","","1.071","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021456","5.595","0.004","8.377","0.005","12.712","0.008","98.1","0.03","100.1","0.02","101.76","0.03","564.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4a<i>RS</i>,6<i>SR</i>)-9-Chloro-6-hydroxy-4a,5,6,7-tetrahydrobenzo[<i>f</i>][1,2,4]triazino[4,5-<i>a</i>]azepin-4(3<i>H</i>)-one","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C24 H24 Cl2 N6 O4 -","2","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0493","0.0425","","","0.1108","0.1158","","","","","","1.06","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021457","12.568","0.006","13.324","0.007","14.207","0.007","90","","110.912","0.005","90","","2222.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ-5-nitrobenzene-1,3-dicarboxylato)zinc(II)]","","- C22 H17 N5 O6 Zn -","- C22 H17 N5 O6 Zn -","- C88 H68 N20 O24 Zn4 -","4","1","QS3078","Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun; Tao, Jian-Qing","A new two-dimensional Zn^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2019","75","2","196","199","10.1107/S2053229619000986","","","0.71073","MoKα","","0.0292","0.0265","","","0.0736","0.0751","","","","","","1.066","","","","has coordinates,has Fobs","213936","2020-10-21","18:00:00",""
"2021458","6.6076","0.0002","7.6668","0.0002","16.5297","0.0005","94.565","0.002","93.48","0.002","94.758","0.002","829.94","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-<i>tert</i>-Butylbenzoic acid‒isoniazid","4-<i>tert</i>-Butylbenzoic acid‒pyridine-4-carbohydrazide (1/1)","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C34 H42 N6 O6 -","2","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0531","0.0417","","","0.1154","0.1246","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021459","14.2337","0.0006","13.7116","0.0005","20.3233","0.0008","90","","99.298","0.002","90","","3914.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(propan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(propan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C160 H200 N24 O24 -","8","2","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0647","0.0479","","","0.1207","0.1365","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021460","14.7663","0.0004","13.7022","0.0004","20.4647","0.0006","90","","99.279","0.002","90","","4086.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(butan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒N'-(butan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C168 H216 N24 O24 -","8","2","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0802","0.0596","","","0.1734","0.1964","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021461","7.6967","0.0001","10.1984","0.0002","15.9931","0.0003","90","","93.505","0.001","90","","1253.01","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(diphenylmethylene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(diphenylmethylene)pyridine-4-carbohydrazide (1/1)","","- C30 H29 N3 O3 -","- C30 H29 N3 O3 -","- C60 H58 N6 O6 -","2","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.038","0.0345","","","0.0884","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","213386","2020-10-21","18:00:00",""
"2021462","20.3803","0.0008","6.9598","0.0003","17.2533","0.0007","90","","107.838","0.001","90","","2329.61","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(4-hydroxy-4-methylpentan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(4-hydroxy-4-methylpentan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C92 H124 N12 O16 -","4","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0568","0.0466","","","0.1232","0.1313","","","","","","1.039","","","","has coordinates,has Fobs","213386","2020-10-21","18:00:00",""
"2021463","9.6571","0.0002","13.0874","0.0003","16.4113","0.0004","90","","90","","90","","2074.16","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0597","0.0429","","","0.1056","0.1151","","","","","","1.024","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021464","11.74","0.003","11.933","0.003","14.662","0.004","90","","90","","90","","2054","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0949","0.052","","","0.0907","0.1044","","","","","","1.005","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021465","10.3262","0.0006","10.3262","0.0006","10.3262","0.0006","90","","90","","90","","1101.09","0.11","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Potassium terbium tantalum tris(phosphate)","","- K2 O12 P3 Ta0.5 Tb1.5 -","- K2 O12 P3 Ta0.5 Tb1.5 -","- K8 O48 P12 Ta2 Tb6 -","4","0.333333","KY3157","Xue, Ya-Li; Zhao, Dan; Zhang, Shi-Rui; Li, Ya-Nan; Fan, Yan-Ping","A new disordered langbeinite-type compound, K~2~Tb~1.5~Ta~0.5~P~3~O~12~, and Eu^3+^-doped multicolour light-emitting properties","Acta Crystallographica Section C","2019","75","2","213","220","10.1107/S2053229619000998","","","0.71073","MoKα","","0.0237","0.0228","","","0.0427","0.0429","","","","","","1.125","","","","has coordinates,has Fobs","213401","2020-10-21","18:00:00",""
"2021466","9.3716","0.0014","11.7529","0.0018","11.2357","0.0016","90","","90.187","0.009","90","","1237.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N O4 -","- C4 H9 N O4 -","- C32 H72 N8 O32 -","8","2","UK3169","Kats, Eynav; Bernstein, Joel; Lemmerer, Andreas","A new polymorph of ammonium succinate ‒ serendipity in action","Acta Crystallographica Section C","2019","75","2","208","212","10.1107/S2053229619001037","","","0.71073","MoKα","","0.0908","0.0497","","","0.1308","0.1585","","","","","","0.978","","","","has coordinates,has Fobs","213402","2020-10-21","18:00:00",""
"2021467","9.3992","0.0008","17.6714","0.0015","11.2971","0.0009","90","","94.318","0.001","90","","1871.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)gadolinium(III)] <i>N</i>,<i>N</i>-dimethylacetamide monosolvate]","","- C32 H43 Gd2 N3 O17 -","- C28 H34 Gd2 N2 O16 -","- C56 H68 Gd4 N4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.1147","0.0755","","","0.1796","0.1964","","","","","","1.065","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021468","9.3529","0.0009","17.6217","0.0015","11.3758","0.0011","90","","94.494","0.001","90","","1869.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)didysprosium(III)] <i>N</i>,<i>N</i>-dimethylacetamide monosolvate]","","- C32 H43 Dy2 N3 O17 -","- C28 H34 Dy2 N2 O16 -","- C56 H68 Dy4 N4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0641","0.0531","","","0.1454","0.1539","","","","","","1.088","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021469","9.5383","0.0008","17.966","0.0015","11.3703","0.0009","90","","94.402","0.001","90","","1942.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)dineodymium(III)]","","- C28 H34 N2 Nd2 O16 -","- C28 H34 N2 Nd2 O16 -","- C56 H68 N4 Nd4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0818","0.054","","","0.1279","0.1385","","","","","","1.01","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021470","9.4469","0.0009","17.8037","0.0018","11.3621","0.0012","90","","94.319","0.001","90","","1905.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)disamarium(III)]","","- C28 H34 N2 O16 Sm2 -","- C28 H34 N2 O16 Sm2 -","- C56 H68 N4 O32 Sm4 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0969","0.0666","","","0.1567","0.17","","","","","","1.031","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021471","11.3449","0.0002","7.3527","0.0001","11.8641","0.0003","90","","113.623","0.003","90","","906.72","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [<i>R</i>-(+)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0244","0.0235","","","0.0605","0.0612","","","","","","1.068","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021472","11.3482","0.0003","7.3589","0.0001","11.8714","0.0003","90","","113.686","0.003","90","","907.87","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(‒)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0258","0.0252","","","0.068","0.0686","","","","","","1.055","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021473","8.33","0.002","11.557","0.003","12.426","0.003","84.484","0.017","86.07","0.011","86.04","0.011","1185.6","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichlorido(2-ethoxy-6-{(<i>E</i>)-[(2-oxidophenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(η^5^-pentamethylcyclopentadienyl)tantalum(V)","","- C25 H28 Cl2 N O3 Ta -","- C25 H28 Cl2 N O3 Ta -","- C50 H56 Cl4 N2 O6 Ta2 -","2","1","JX3031","Trávníček, Zdeněk; Štarha, Pavel; Čajan, Michal; Dvořák, Zdeněk","A half-sandwich TaV dichlorido complex containing an O,N,O′-tridentate Schiff base ligand: synthesis, crystal structure and in vitro cytotoxicity","Acta Crystallographica Section C Structural Chemistry","2019","75","3","","","10.1107/S2053229619001323","","","0.71073","MoKα","","0.0197","0.0171","","","0.041","0.0419","","","","","","1.167","","","","has coordinates,has Fobs","213604","2020-10-21","18:00:00",""
"2021474","6.6562","0.0003","8.3692","0.0004","12.5687","0.0007","90","","90","","90","","700.17","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-nitro-1<i>H</i>-imidazole-3-carboxylate","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0352","0.033","","","0.0839","0.0851","","","","","","1.11","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021475","5.0863","0.0006","8.811","0.0009","12.7192","0.0014","83.977","0.004","88.281","0.003","82.743","0.003","562.25","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-nitro-1<i>H</i>-imidazol-1-ide-5-carboxylato)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis[aqua(dimethylformamide-κ<i>O</i>)copper(II)]","","- C14 H20 Cu2 N8 O12 -","- C14 H20 Cu2 N8 O12 -","- C14 H20 Cu2 N8 O12 -","1","0.5","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0413","0.0306","","","0.0685","0.072","","","","","","1.06","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021476","8.9689","0.0011","6.4035","0.0008","16.4509","0.0019","90","","102.93","0.002","90","","920.86","0.19","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-nitro-1<i>H</i>-imidazol-1-ide-5-carboxylato)-κ^2^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis[triaquacobalt(II)] dihydrate","","- C8 H18 Co2 N6 O16 -","- C8 H18 Co2 N6 O16 -","- C16 H36 Co4 N12 O32 -","2","0.5","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0193","0.0181","","","0.0481","0.0486","","","","","","1.065","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021477","16.7332","0.0008","8.2012","0.0003","28.0902","0.0013","90","","90","","90","","3854.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3c","Dibenzyl [hydroxy(4-methylphenyl)methyl]phosphonate","","- C22 H23 O4 P -","- C22 H23 O4 P -","- C176 H184 O32 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0938","0.0556","","","0.1275","0.1501","","","","","","1.021","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021478","10.4239","0.0008","7.8757","0.0005","12.0461","0.0007","90","","103.775","0.007","90","","960.49","0.11","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","3b","Dibenzyl [(3-chlorophenyl)(hydroxy)methyl]phosphonate","","- C21 H20 Cl O4 P -","- C21 H20 Cl O4 P -","- C42 H40 Cl2 O8 P2 -","2","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0571","0.0472","","","0.1066","0.1143","","","","","","1.046","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021479","10.0795","0.0003","13.853","0.0006","15.9354","0.0005","111.11","0.004","90.852","0.003","106.326","0.003","1975.23","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","3a","Dibenzyl [hydroxy(2-nitrophenyl)methyl]phosphonate","","- C21 H20 N O6 P -","- C21 H20 N O6 P -","- C84 H80 N4 O24 P4 -","4","2","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0744","0.0461","","","0.1066","0.1243","","","","","","1.028","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021480","8.18","0.0004","8.4006","0.0006","9.9661","0.0004","102.173","0.005","94.897","0.004","107.504","0.005","630.26","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2b","Dimethyl [1-hydroxy-1-(4-nitrophenyl)ethyl]phosphonate","","- C10 H14 N O6 P -","- C10 H14 N O6 P -","- C20 H28 N2 O12 P2 -","2","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0562","0.0412","","","0.1026","0.1138","","","","","","1.03","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021481","8.478","0.0003","17.237","0.0006","8.1357","0.0003","90","","106.484","0.004","90","","1140.05","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (1-hydroxy-1-phenylethyl)phosphonate","","- C10 H15 O4 P -","- C10 H15 O4 P -","- C40 H60 O16 P4 -","4","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0359","0.0314","","","0.0855","0.0891","","","","","","1.037","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021482","39.464","0.003","8.5132","0.0004","8.0044","0.0003","90","","100.62","0.005","90","","2643.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1b","Dimethyl [1-(3,4-dimethoxyphenyl)-1-hydroxyethyl]phosphonate","","- C11 H17 O6 P -","- C11 H17 O6 P -","- C88 H136 O48 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0772","0.0474","","","0.1078","0.1262","","","","","","1.032","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021483","8.4039","0.0005","7.7007","0.0003","16.6012","0.0007","90","","99.149","0.004","90","","1060.69","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (1-hydroxy-1-phenylethyl)phosphonate","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0544","0.0379","","","0.0967","0.1078","","","","","","1.024","","","","has coordinates","213617","2020-10-21","18:00:00",""
"2021484","15.0494","0.0003","14.2369","0.0003","7.9898","0.0002","90","","99.025","0.002","90","","1690.68","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(2,4-Dimethylphenyl)-2,2,2-trifluoro-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide","","- C18 H17 F3 N2 O2 -","- C18 H17 F3 N2 O2 -","- C72 H68 F12 N8 O8 -","4","1","YF3163","Clarkson, Guy J.; Farrán, M. Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, José","The structure of the anti-aging agent J147 used for treating Alzheimer's disease","Acta Crystallographica Section C","2019","75","3","","","10.1107/S205322961900144X","","x-ray","1.54184","CuKα","","0.0439","0.0351","","","0.0932","0.0957","","","","","","0.992","","","","has coordinates,has Fobs","213618","2020-10-21","18:00:00",""
"2021485","11.3475","0.0002","14.2479","0.0003","16.4138","0.0004","92.51","0.001","99.529","0.001","108.699","0.001","2465.63","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(imidazole)(5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride chloroform disolvate","","- C52 H38 Cl7 Mn N8 -","- C52 H38 Cl7 Mn N8 -","- C104 H76 Cl14 Mn2 N16 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0448","0.0432","","","0.1095","0.1108","","","","","","1.03","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021486","10.5211","0.0001","11.9123","0.0001","12.6355","0.0001","66.1342","0.0005","78.3107","0.0005","89.5778","0.0006","1413.24","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(piperidine)(5,10,15,20-tetraphenylporphyrinato)manganese(III) dichloride","","- C54 H50 Cl Mn N6 -","- C54 H50 Cl2 Mn N6 -","- C54 H50 Cl2 Mn N6 -","1","0.5","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0451","0.0449","","","0.1145","0.1147","","","","","","1.042","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021487","11.0499","0.0001","12.1051","0.0001","18.5362","0.0002","90.177","0.001","90.324","0.001","110.537","0.001","2321.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(pyridine)(5,10,15,20-tetraphenylporphryinato)manganese(III) pyridine disolvate","","- C59 H43 Cl Mn N7 -","- C59 H43 Cl Mn N7 -","- C118 H86 Cl2 Mn2 N14 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0292","0.0283","","","0.0768","0.0773","","","","","","1.076","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021488","11.4402","0.0002","13.4019","0.0003","18.6407","0.0004","95.774","0.001","92.199","0.001","113.63","0.001","2595.35","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(1,4-Diazabicyclo[2.2.2]octane)(5,10,15,20-tetraphenylporphyrin)manganese(III) chloride‒1,4-diazabicyclo[2.2.2]octane‒toluene‒water (4/4/4/1)","","- C63 H60 Cl Mn N8 O0.25 -","- C63 H60 Cl Mn N8 O0.25 -","- C126 H120 Cl2 Mn2 N16 O0.5 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0834","0.0641","","","0.1668","0.1795","","","","","","1.068","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021489","4.9272","0.0005","8.6072","0.0009","12.1525","0.0013","108.617","0.01","97.37","0.009","92.763","0.009","482.19","0.09","293","","293.15","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0793","0.0456","","","0.0934","0.1047","","","","","","1.033","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021490","4.9195","0.0005","8.5997","0.0007","12.0667","0.001","108.576","0.008","97.152","0.008","92.576","0.008","478.19","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0795","0.0438","","","0.0812","0.0912","","","","","","1.012","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021491","4.9101","0.0005","8.5883","0.0007","11.9978","0.0009","108.535","0.008","96.969","0.008","92.427","0.008","474.39","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0665","0.0395","","","0.0785","0.0867","","","","","","1.019","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021492","4.9001","0.0005","8.5768","0.0006","11.9523","0.0009","108.503","0.007","96.781","0.007","92.316","0.007","471.4","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0644","0.0397","","","0.0746","0.0817","","","","","","1.007","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021493","4.8948","0.0005","8.5707","0.0007","11.9179","0.0009","108.459","0.007","96.649","0.008","92.235","0.007","469.54","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0632","0.039","","","0.0769","0.0833","","","","","","1.038","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021494","4.901","0.0004","8.5623","0.0007","11.9502","0.0011","108.338","0.008","96.669","0.008","92.426","0.007","471.13","0.07","125","","125","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0938","0.0516","","","0.1241","0.1403","","","","","","1.025","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021495","4.9089","0.0005","8.5742","0.0007","11.9896","0.001","108.411","0.008","96.813","0.008","92.501","0.007","473.67","0.08","175","","175","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0826","0.0466","","","0.0922","0.1028","","","","","","1.012","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021496","4.9142","0.0005","8.5934","0.0007","12.0281","0.001","108.563","0.008","97.059","0.008","92.493","0.007","476.02","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.067","0.0382","","","0.0777","0.0861","","","","","","1.007","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021497","4.9248","0.0005","8.6012","0.0007","12.1074","0.001","108.584","0.008","97.257","0.008","92.666","0.008","480.17","0.08","275","","275","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0825","0.0463","","","0.0869","0.0982","","","","","","1.022","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021498","4.9271","0.0005","8.6022","0.0008","12.1449","0.0011","108.606","0.008","97.351","0.009","92.714","0.008","481.7","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0808","0.0432","","","0.0868","0.0993","","","","","","1.026","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021499","4.8902","0.0003","9.443","0.0004","21.7426","0.0011","90","","103.096","0.005","90","","977.92","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.076","0.0431","","","0.078","0.086","","","","","","1.011","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021500","4.8745","0.0003","9.4321","0.0004","21.7086","0.0011","90","","102.948","0.005","90","","972.71","0.09","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0694","0.0421","","","0.0764","0.0834","","","","","","1.021","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021501","4.8594","0.0003","9.4225","0.0004","21.7038","0.001","90","","103.092","0.005","90","","967.94","0.09","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0639","0.0392","","","0.0725","0.0792","","","","","","1.034","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021502","4.8426","0.0004","9.4084","0.0005","21.6903","0.0013","90","","103.248","0.007","90","","961.93","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0683","0.0436","","","0.0915","0.1017","","","","","","1.043","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021503","4.8333","0.0003","9.4082","0.0004","21.6923","0.0015","90","","103.401","0.007","90","","959.55","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0789","0.0528","","","0.1284","0.1429","","","","","","1.035","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021504","4.8491","0.0008","9.4313","0.0006","21.7481","0.001","90","","103.272","0.009","90","","968.05","0.18","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0741","0.0483","","","0.1184","0.1308","","","","","","1.026","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021505","4.8531","0.0003","9.4182","0.0004","21.7022","0.0012","90","","103.155","0.006","90","","965.92","0.09","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0636","0.0391","","","0.0774","0.0853","","","","","","1.013","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021506","4.8784","0.0005","9.4546","0.0004","21.7693","0.0006","90","","103.002","0.005","90","","978.33","0.11","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0655","0.0381","","","0.0728","0.0805","","","","","","1.002","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021507","4.8828","0.0003","9.4372","0.0004","21.7258","0.0011","90","","103.007","0.006","90","","975.44","0.09","275","","275","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0741","0.0422","","","0.0725","0.0808","","","","","","1.017","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021508","4.8873","0.0003","9.4416","0.0004","21.7392","0.0011","90","","103.063","0.006","90","","977.17","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0773","0.0402","","","0.0724","0.0822","","","","","","1.017","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021509","7.056","0.002","10.226","0.005","13.451","0.005","87.21","0.02","86.978","0.013","76.42","0.02","941.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Aqua[2-(3,4-dichlorophenyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lithium(I)","","- C20 H15 Cl2 Li N2 O3 -","- C20 H15 Cl2 Li N2 O3 -","- C40 H30 Cl4 Li2 N4 O6 -","2","1","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0546","0.0441","","","0.118","0.1284","","","","","","1.028","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021510","6.9518","0.001","10.8369","0.0016","13.5077","0.0017","82.823","0.006","83.7","0.006","71.92","0.007","957.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-aqua-bis{[2-(3,4-dichlorophenyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)}","","- C40 H30 Cl4 N4 Na2 O6 -","- C40 H30 Cl4 N4 Na2 O6 -","- C40 H30 Cl4 N4 Na2 O6 -","1","0.5","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0598","0.0422","","","0.1048","0.1234","","","","","","1.026","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021511","8.3889","0.0004","11.9459","0.0006","29.163","0.0015","90","","90","","90","","2922.5","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ^2^<i>O</i>:<i>O</i>'] 2-(3,4-dichlorophenyl)acetate monohydrate]","","- C28 H24 Cl4 Mg N2 O7 -","- C28 H24 Cl4 Mg N2 O7 -","- C112 H96 Cl16 Mg4 N8 O28 -","4","1","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0519","0.0425","","","0.0913","0.0954","","","","","","1.112","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021512","21.467","0.005","7.675","0.002","12.837","0.003","90","","125.362","0.007","90","","1724.8","0.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAP12082016","Benzene-1,2-diaminium bis(pyridine-2-carboxylate)","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKa","","0.0649","0.0466","","","0.1226","0.1377","","","","","","1.042","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021513","21.451","0.004","9.01","0.0019","12.585","0.003","90","","123.447","0.006","90","","2029.5","0.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAP03202017","4,5-Dimethylbenzene-1,2-diaminium bis(pyridine-2-carboxylate)","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKα","","0.1089","0.0444","","","0.1123","0.1281","","","","","","1.014","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021514","20.061","0.003","7.8464","0.001","11.6895","0.0012","90","","90","","90","","1840","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","KAP02082017","Benzene-1,2-diamine bis(benzoic acid)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKα","","0.0395","0.0303","","","0.0801","0.0867","","","","","","1.048","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021515","5.9284","0.0004","13.6918","0.0007","16.0601","0.0012","90","","96.721","0.007","90","","1294.65","0.15","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Acetylpyridine-4-nitroimidazole hydrazone","2-(4-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C48 H48 N24 O12 -","4","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.058","0.0406","","","0.0985","0.1129","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","213660","2020-10-21","18:00:00",""
"2021516","12.189","0.001","18.7185","0.0011","12.4701","0.0009","90","","106.612","0.008","90","","2726.4","0.4","270","2","270","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2-Acetylpyridine-2-nitroimidazole hydrazone","2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-\ yl)ethylidene]acetohydrazide","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C96 H96 N48 O24 -","8","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.0709","0.0442","","","0.104","0.1192","","","","","","1.052","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021517","13.1965","0.0005","14.0718","0.0006","8.9747","0.0005","90","","92.596","0.004","90","","1664.88","0.13","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>Z</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone","(<i>Z</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide","","- C17 H14 N6 O3 -","- C17 H14 N6 O3 -","- C68 H56 N24 O12 -","4","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.0748","0.0471","","","0.117","0.1341","","","","","","1.037","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021518","5.8656","0.0004","10.3304","0.0012","13.7224","0.0016","74.736","0.01","88.725","0.008","87.006","0.008","801.04","0.15","270","2","270","2","","","","","","","","4","P -1","-P 1","2","(<i>E</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone","(<i>E</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide","","- C17 H14 N6 O3 -","- C17 H14 N6 O3 -","- C34 H28 N12 O6 -","2","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.1032","0.0601","","","0.1383","0.166","","","","","","1.035","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021519","9.446","0.0013","19.783","0.003","11.0766","0.0015","90","","93.821","0.003","90","","2065.3","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(3-<i>tert</i>-Butyl-5-chloro-4-hydroxyphenyl)-2-chloro-3-ethoxy-1-phenylpropan-1-one","","- C21 H24 Cl2 O3 -","- C21 H24 Cl2 O3 -","- C84 H96 Cl8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0761","0.0528","","","0.1449","0.159","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","213721","2020-10-21","18:00:00",""
"2021520","9.6343","0.0005","19.5472","0.001","10.9965","0.0006","90","","91.584","0.002","90","","2070.11","0.19","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-3-(3-<i>tert</i>-butyl-5-bromo-4-hydroxyphenyl)-3-methoxy-1-phenylpropan-1-one","","- C20 H22 Br2 O3 -","- C20 H22 Br2 O3 -","- C80 H88 Br8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0764","0.0417","","","0.1059","0.1165","","","","","","1.043","","","","has coordinates,has Fobs","213721","2020-10-21","18:00:00",""
"2021521","9.6342","0.0004","19.8082","0.0008","11.1545","0.0005","90","","94.076","0.001","90","","2123.3","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-3-(3-<i>tert</i>-butyl-5-bromo-4-hydroxyphenyl)-3-ethoxy-1-phenylpropan-1-one","","- C21 H24 Br2 O3 -","- C21 H24 Br2 O3 -","- C84 H96 Br8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0516","0.0366","","","0.0844","0.0905","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","213721","2020-10-21","18:00:00",""
"2021522","18.178","0.0007","9.3386","0.0005","28.9009","0.0018","90","","99.44","0.005","90","","4839.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-<i>tert</i>-butyl 2,2'-[diselane-1,2-diylbis(2,1-phenylene)]dicarbamate","","- C22 H28 N2 O4 Se2 -","- C22 H28 N2 O4 Se2 -","- C176 H224 N16 O32 Se16 -","8","1","FN3298","Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B.","Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002341","","","0.71073","MoKα","","0.0761","0.0535","","","0.0997","0.1071","","","","","","1.128","","","","has coordinates,has Fobs","213722","2020-10-21","18:00:00",""
"2021523","9.4865","0.0003","9.741","0.0002","11.2789","0.0003","101","0.002","108.394","0.002","105.264","0.002","910.42","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","10,27-Di-<i>tert</i>-butyl 11,28-dioxo-2,3,19,20-tetraselena-10,12,27,29-tetraazapentacyclo[28.4.0.0^4,9^.0^13,18^.0^21,26^]tetratriaconta-1(30),4(9),5,7,13,15,17,21,23,25,31,33-dodecaene-10,27-dicarboxylate","","- C36 H34 N4 O6 Se4 -","- C36 H34 N4 O6 Se4 -","- C36 H34 N4 O6 Se4 -","1","0.5","FN3298","Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B.","Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002341","","","0.71073","MoKα","","0.0332","0.0258","","","0.062","0.0651","","","","","","1.051","","","","has coordinates,has Fobs","213722","2020-10-21","18:00:00",""
"2021524","6.0127","0.0012","12.056","0.002","9.962","0.002","90","","90.43","0.03","90","","722.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","KU3234","Cheng, Ling; Cao, Yingjie","A two-dimensional organic‒inorganic hybrid perovskite-type semiconductor: poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001712","","","0.71073","MoKα","","0.0404","0.0374","","","0.0812","0.0826","","","","","","1.102","","","","has coordinates,has Fobs","213785","2020-10-21","18:00:00",""
"2021525","7.6599","0.0009","7.8079","0.0008","10.014","0.0012","94.487","0.009","108.668","0.011","97.565","0.009","557.83","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(5-Amino-3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-1-yl)(2-fluorophenyl)methanon","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C20 H18 F2 N8 O2 S2 -","2","1","YO3062","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A.","Catalyst- and solvent-free synthesis of 2-fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002572","","","0.71073","MoKα","","0.0491","0.0424","","","0.11","0.1164","","","","","","0.892","","","","has coordinates,has disorder,has Fobs","213850","2020-10-21","18:00:00",""
"2021526","5.0509","0.0011","26.64","0.005","8.0251","0.0016","90","","94.12","0.02","90","","1077","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","YO3062","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A.","Catalyst- and solvent-free synthesis of 2-fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002572","","","0.71073","MoKα","","0.1032","0.0711","","","0.2253","0.2371","","","","","","1.103","","","","has coordinates,has Fobs","213850","2020-10-21","18:00:00",""
"2021527","27.1721","0.0015","9.7995","0.0006","16.3477","0.0009","90","","90","","90","","4353","0.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ~3~-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine-κ^3^<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^6^]","","- C18 H12 Cd N8 O6 -","- C18 H12 Cd N8 O6 -","- C144 H96 Cd8 N64 O48 -","8","1","YF3167","Liu, Jian-Jun; Li, Li-Zhi; Chen, Chun-Ping; Wei, Jin-Zhong; Cheng, Fei-Xiang","A fourfold interpenetrating cadmium(II) metal‒organic framework based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine with reversible photochromic properties","Acta Crystallographica Section C","2019","75","3","372","377","10.1107/S2053229619002663","","","0.71073","MoKα","","0.0403","0.0294","","","0.0671","0.0717","","","","","","1.033","","","","has coordinates,has Fobs","213876","2020-10-21","18:00:00",""
"2021528","13.41","0.0005","15.5455","0.0005","31.157","0.0011","90","","98.743","0.0014","90","","6419.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-(4,8-di-<i>tert</i>-butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>]\ [1,3,2]dioxaphosphepin-6-yl)oxy]-1:2κ^2^<i>P</i>:\ <i>O</i>;\ 1:2κ^2^<i>O</i>:<i>P</i>-bis{[6-([1,1'-biphenyl]-2-yloxy)-4,8-di-<i>tert</i>-\ butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-\ κ<i>P</i>]carbonylrhodium} toluene tatrasolvate","","- C142 H162 O22 P4 Rh2 -","- C142 H162 O22 P4 Rh2 -","- C284 H324 O44 P8 Rh4 -","2","0.5","QF3023","Selent, Detlef; Spannenberg, Anke; Kubis, Christoph; Börner, Armin","A dinuclear phosphite rhodium(I) complex obtained by syngas treatment of a Rh/hydroxy phosphonite olefin hydroformylation precatalyst","Acta Crystallographica Section C","2019","75","4","398","401","10.1107/S2053229619002730","","","0.71073","MoKα","","0.0425","0.0353","","","0.087","0.0929","","","","","","1.031","","","","has coordinates,has Fobs","214913","2020-10-21","18:00:00",""
"2021529","9.6321","0.0013","9.8793","0.0011","12.826","0.002","95.806","0.01","108.52","0.011","112.895","0.007","1030.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetraethylammonium <i>fac</i>-(benzhydroxamato-κ^2^<i>O</i>,<i>O</i>')bromidotricarbonylrhenate(I)","","- C18 H26 Br N2 O5 Re -","- C18 H26 Br N2 O5 Re -","- C36 H52 Br2 N4 O10 Re2 -","2","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.0221","0.0207","","","0.0488","0.0494","","","","","","1.035","","","","has coordinates","214915","2020-10-21","18:00:00",""
"2021530","10.5209","0.0015","11.9365","0.0017","12.4455","0.0017","108.277","0.007","102.745","0.007","104.252","0.007","1361","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>fac</i>-Aquatricarbonyl(4-oxo-2-phenylchromen-3-olato-\ κ^2^<i>O</i>,<i>O</i>')rhenium(I)‒3-hydroxyflavone (1/1)","","- C33 H21 O10 Re -","- C33 H21 O10 Re -","- C66 H42 O20 Re2 -","2","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.033","0.0273","","","0.058","0.0604","","","","","","1.059","","","","has coordinates","214915","2020-10-21","18:00:00",""
"2021531","5.3502","0.0006","11.3531","0.0014","18.063","0.002","90","","90","","90","","1097.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxyflavone","2-Phenylchromen-4-one","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.0392","0.0341","","","0.0802","0.0835","","","","","","1.066","","","","has coordinates,has Fobs","214915","2020-10-21","18:00:00",""
"2021532","8.898","0.0005","13.0356","0.0008","46.455","0.003","90","","90","","90","","5388.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyldimethyl{3-[(1-oxotetradecyl)amino]propyl}ammonium chloride monohydrate","","- C26 H49 Cl N2 O2 -","- C26 H49 Cl N2 O2 -","- C208 H392 Cl8 N16 O16 -","8","1","CU3137","Dolgushin, Fedor M.; Goloveshkin, Alexander S.; Ananyev, Ivan V.; Osintseva, Svetlana V.; Torubaev, Yury V.; Krylov, Sergey S.; Golub, Alexandre S.","Interplay of noncovalent interactions in antiseptic quaternary ammonium surfactant Miramistin","Acta Crystallographica Section C","2019","75","4","402","411","10.1107/S2053229619002961","","","0.71073","MoKα","","0.0723","0.0471","","","0.1061","0.1224","","","","","","1.041","","","","has coordinates,has Fobs","214916","2020-10-21","18:00:00",""
"2021533","10.5258","0.0005","11.9908","0.0006","13.0098","0.0007","113.097","0.004","90.217","0.004","99.529","0.004","1485.26","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(methanol-κ<i>O</i>)copper(II)","","- C58 H48 Cl8 Cu2 N4 O10 -","- C58 H48 Cl8 Cu2 N4 O10 -","- C58 H48 Cl8 Cu2 N4 O10 -","1","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0484","0.035","","","0.0877","0.0915","","","","","","0.982","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021534","15.1741","0.0007","7.9241","0.0002","16.3037","0.0008","90","","98.073","0.004","90","","1940.95","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","","- C38 H32 Cl4 Cu N6 O4 -","- C38 H32 Cl4 Cu N6 O4 -","- C76 H64 Cl8 Cu2 N12 O8 -","2","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0791","0.0555","","","0.159","0.1712","","","","","","1.034","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021535","7.6526","0.0004","7.5494","0.0005","31.071","0.002","90","","96.277","0.005","90","","1784.29","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","","- C34 H28 Cl4 Cu N6 O4 -","- C34 H28 Cl4 Cu N6 O4 -","- C68 H56 Cl8 Cu2 N12 O8 -","2","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0946","0.0621","","","0.1683","0.1852","","","","","","1.004","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021538","7.2329","0.0005","12.4405","0.0007","14.7468","0.0008","82.507","0.004","79.385","0.006","86.828","0.005","1292.42","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","2","KY3165","Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance","Acta Crystallographica Section C","2019","75","4","412","421","10.1107/S2053229619003127","","","0.71073","MoKα","","0.1481","0.0662","","","0.1033","0.1239","","","","","","1","","","","has coordinates,has Fobs","214919","2020-10-21","18:00:00",""
"2021539","22.335","0.002","4.8497","0.0004","31.567","0.003","90","","109.936","0.009","90","","3214.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Adeninium salicylate‒adenine‒salicylic acid‒water (1/2/1/2)","","- C29 H31 N15 O8 -","- C29 H31 N15 O8 -","- C116 H124 N60 O32 -","4","1","KY3165","Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance","Acta Crystallographica Section C","2019","75","4","412","421","10.1107/S2053229619003127","","","0.71073","MoKα","","0.1692","0.0746","","","0.0904","0.1081","","","","","","1.003","","","","has coordinates,has Fobs","214919","2020-10-21","18:00:00",""
"2021540","10.7276","0.0013","11.6173","0.0014","12.524","0.002","103.051","0.002","110.504","0.002","106.834","0.002","1302.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dysprosium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Dy N3 O7 -","- C30 H18 Dy N3 O7 -","- C60 H36 Dy2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0308","0.0289","","","0.083","0.0843","","","","","","1.071","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021541","10.7235","0.0012","11.6222","0.0013","12.515","0.002","102.97","0.002","110.498","0.002","106.944","0.002","1301.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[holmium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Ho N3 O7 -","- C30 H18 Ho N3 O7 -","- C60 H36 Ho2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0278","0.0252","","","0.0635","0.0651","","","","","","1.064","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021542","10.7193","0.0018","11.6076","0.0019","12.511","0.003","102.958","0.004","110.528","0.003","106.984","0.002","1298.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[erbium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Er N3 O7 -","- C30 H18 Er N3 O7 -","- C60 H36 Er2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0435","0.0358","","","0.0904","0.0948","","","","","","1.03","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021543","10.6397","0.0008","21.2984","0.0017","11.1255","0.0009","90","","97.14","0.001","90","","2501.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]digadolinium(III)]","","- C60 H36 Gd2 N6 O12 -","- C60 H36 Gd2 N6 O12 -","- C120 H72 Gd4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0197","0.0179","","","0.0426","0.0433","","","","","","1.043","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021544","10.5699","0.0009","21.2378","0.0019","11.0639","0.001","90","","96.664","0.001","90","","2466.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]diholmium(III)]","","- C60 H36 Ho2 N6 O12 -","- C60 H36 Ho2 N6 O12 -","- C120 H72 Ho4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0232","0.0196","","","0.0442","0.0456","","","","","","1.029","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021545","10.5716","0.0009","21.2401","0.0017","11.0692","0.0009","90","","96.583","0.001","90","","2469.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]dierbium(III)]","","- C60 H36 Er2 N6 O12 -","- C60 H36 Er2 N6 O12 -","- C120 H72 Er4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.029","0.0274","","","0.0655","0.0664","","","","","","1.066","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021546","24.95","0.003","10.1942","0.0012","20.145","0.002","90","","96.748","0.002","90","","5088.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]dysprosium(III)]","","- C30 H18 Dy N3 O6 -","- C30 H18 Dy N3 O6 -","- C240 H144 Dy8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.041","0.0308","","","0.0755","0.0805","","","","","","1.065","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021547","24.914","0.005","10.208","0.002","20.132","0.004","90","","96.64","0.003","90","","5085.7","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]holmium(III)]","","- C30 H18 Ho N3 O6 -","- C30 H18 Ho N3 O6 -","- C240 H144 Ho8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0649","0.0416","","","0.0811","0.0887","","","","","","1.031","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021548","24.8569","0.0019","10.2084","0.0008","20.1195","0.0016","90","","96.467","0.001","90","","5072.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]erbium(III)]","","- C30 H18 Er N3 O6 -","- C30 H18 Er N3 O6 -","- C240 H144 Er8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0236","0.0201","","","0.0462","0.0475","","","","","","1.04","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021549","24.689","0.002","10.2783","0.0009","20.0241","0.0018","90","","96.362","0.001","90","","5050","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]ytterbiumIII)]","","- C30 H18 N3 O6 Yb -","- C30 H18 N3 O6 Yb -","- C240 H144 N24 O48 Yb8 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0279","0.0259","","","0.0678","0.0691","","","","","","1.066","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021550","12.4355","0.0003","21.6501","0.0004","11.9462","0.0003","90","","115.364","0.004","90","","2906.24","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[μ-Bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}bis({6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}cobalt(III)) acetonitrile tetrasolvate","","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","- C124 H132 Co4 N20 O24 -","2","0.5","KY3166","Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros","Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(<i>o</i>-van-en)~3~]·4CH~3~CN (<i>o</i>-van-en is a salen-type ligand)","Acta Crystallographica Section C","2019","75","4","433","442","10.1107/S2053229619003115","","","0.71073","MoKα","","0.0707","0.045","","","0.0954","0.1063","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","214920","2020-10-21","18:00:00",""
"2021551","10.4971","0.0005","11.6195","0.0005","13.7158","0.0006","70.471","0.004","71.667","0.004","72.466","0.004","1460.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[μ-Bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}bis({6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}cobalt(III)) acetonitrile tetrasolvate","","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","1","0.5","KY3166","Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros","Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(<i>o</i>-van-en)~3~]·4CH~3~CN (<i>o</i>-van-en is a salen-type ligand)","Acta Crystallographica Section C","2019","75","4","433","442","10.1107/S2053229619003115","","","0.71073","MoKα","","0.0466","0.0373","","","0.089","0.0941","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","214920","2020-10-21","18:00:00",""
"2021552","9.1819","0.0004","18.0782","0.0007","11.7932","0.0005","90","","102.977","0.004","90","","1907.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole}copper(II)] bis(methanesulfonate) tetrahydrate]","","- C28 H38 Cu N12 O10 S4 -","- C28 H38 Cu N12 O10 S4 -","- C56 H76 Cu2 N24 O20 S8 -","2","0.5","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","1.54184","CuKα","","0.0557","0.0422","","","0.1276","0.1433","","","","","","1.119","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021553","9.6589","0.0003","23.1463","0.0005","15.5643","0.0004","90","","104.305","0.003","90","","3371.79","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[copper(II)-bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-4-ylmethyl)sulfanyl]-1,2,4-triazole}] bis(perchlorate) monohydrate]","","- C26 H26 Cl2 Cu N12 O9 S2 -","- C26 H26 Cl2 Cu N12 O9 S2 -","- C104 H104 Cl8 Cu4 N48 O36 S8 -","4","1","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","1.54184","CuKα","","0.077","0.0613","","","0.1657","0.1821","","","","","","1.029","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021554","9.5651","0.0005","12.6688","0.0006","15.2716","0.0006","85.727","0.004","80.36","0.004","76.734","0.004","1774.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[copper(II)-bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-4-ylmethyl)sulfanyl]-1,2,4-triazole}] dinitrate methanol disolvate]","","- C28 H32 Cu N14 O8 S2 -","- C28 H32 Cu N14 O8 S2 -","- C56 H64 Cu2 N28 O16 S4 -","2","1","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","0.71073","MoKα","","0.0624","0.0461","","","0.1129","0.1257","","","","","","1.03","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021555","10.2037","0.0003","9.1372","0.0003","17.9981","0.0005","90","","92.26","0.001","90","","1676.72","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diphenyl (3,4-difluorophenyl)phosphoramidate","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C72 H56 F8 N4 O12 P4 -","4","1","JX3028","Hasija, Avantika; Chopra, Deepak","Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative","Acta Crystallographica Section C","2019","75","4","451","461","10.1107/S2053229619003589","","","0.71073","MoKα","","0.0323","0.0298","","","0.0781","0.0798","","","","","","1.056","","","","has coordinates,has Fobs","214921","2020-10-21","18:00:00",""
"2021556","35.0582","0.0008","7.2554","0.0001","13.3647","0.0003","90","","90","","90","","3399.46","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Diphenyl (3,4-difluorophenyl)phosphoramidate","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C144 H112 F16 N8 O24 P8 -","8","2","JX3028","Hasija, Avantika; Chopra, Deepak","Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative","Acta Crystallographica Section C","2019","75","4","451","461","10.1107/S2053229619003589","","","0.71073","MoKα","","0.0696","0.0516","","","0.1078","0.1151","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","214921","2020-10-21","18:00:00",""
"2021557","24.368","0.003","14.7921","0.0018","33.349","0.004","90","","103.63","0.005","90","","11682","2","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) chloride benzene monosolvate","","- C64 H58 Au Cl N4 O4 -","- C64 H58 Au Cl N4 O4 -","- C512 H464 Au8 Cl8 N32 O32 -","8","1","FN3296","Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy","Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions","Acta Crystallographica Section C","2019","75","4","462","468","10.1107/S2053229619003292","","","0.71073","MoKα","","0.0747","0.05","","","0.1079","0.1189","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","214404","2020-10-21","18:00:00",""
"2021558","11.9236","0.0011","15.1244","0.0014","18.4014","0.0016","100.46","0.003","105.164","0.003","103.994","0.003","2999.8","0.5","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) dichloridaurate(I) dichloromethane disolvate","","- C60 H56 Au2 Cl6 N4 O4 -","- C60 H56 Au2 Cl6 N4 O4 -","- C120 H112 Au4 Cl12 N8 O8 -","2","1","FN3296","Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy","Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions","Acta Crystallographica Section C","2019","75","4","462","468","10.1107/S2053229619003292","","","0.71073","MoKα","","0.0701","0.0518","","","0.1296","0.138","","","","","","0.99","","","","has coordinates,has Fobs","214404","2020-10-21","18:00:00",""
"2021559","11.507","0.004","12.853","0.005","15.795","0.006","90","","110.602","0.005","90","","2186.7","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pentaaquacobalt(III)]-μ-aspartato-[γ-octamolybdato]-μ-aspartato- [pentaaquacobalt(III)]","","- C8 H40 Co2 Mo8 N2 O48 -","- C8 H40 Co2 Mo8 N2 O48 -","- C16 H80 Co4 Mo16 N4 O96 -","2","0.5","JX3036","Tahmasebi, Morteza; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","An inorganic‒organic hybrid supramolecular framework based on the γ-[Mo~8~O~26~]^4{-^} cluster and cobalt complex of aspartic acid: X-ray structure and DFT study","Acta Crystallographica Section C","2019","75","4","469","477","10.1107/S2053229619004029","","","0.71073","MoKα","","0.0363","0.0297","","","0.0761","0.0777","","","","","","1.034","","","","has coordinates,has Fobs","214432","2020-10-21","18:00:00",""
"2021561","9.5199","0.0003","8.67","0.0002","9.5471","0.0003","90","","119.158","0.005","90","","688.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sodium zinc aluminium phosphate","Sodium zinc aluminium bis(phosphate)","","- Al Na O8 P2 Zn -","- Al Na O8 P2 Zn -","- Al4 Na4 O32 P8 Zn4 -","4","1","FN3303","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoliy; Dimitrova, Olga","The rich crystal chemistry of the <i>AMM</i>'(PO~4~)~2~ morphotropic series: NaZnAl(PO~4~)~2~, the first Na representative with a new structure type","Acta Crystallographica Section C","2019","75","5","514","522","10.1107/S2053229619004327","","","0.71073","MoKα","","0.0436","0.0366","","","0.0679","0.0702","","","","","","1.211","","","","has coordinates,has Fobs","215658","2020-10-21","18:00:00",""
"2021562","15.7821","0.0013","16.2877","0.0014","19.1051","0.0015","90","","104.457","0.003","90","","4755.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>'] nitrate]","","- C23 H24 Cu N6 O7 -","- C23 H24 Cu N6 O7 -","- C184 H192 Cu8 N48 O56 -","8","2","SK3718","Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda","One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands","Acta Crystallographica Section C","2019","75","5","496","503","10.1107/S2053229619004042","","","1.54178","CuKα","","0.0609","0.0525","","","0.1436","0.1509","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","215661","2020-10-21","18:00:00",""
"2021563","16.0181","0.0008","15.8775","0.0008","20.0316","0.0009","90","","106.14","0.002","90","","4893.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[aqua(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>'] nitrate]","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C200 H192 Cu8 N48 O56 -","8","2","SK3718","Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda","One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands","Acta Crystallographica Section C","2019","75","5","496","503","10.1107/S2053229619004042","","","1.54178","CuKα","","0.0922","0.0785","","","0.1988","0.2119","","","","","","1.047","","","","has coordinates,has Fobs","215661","2020-10-21","18:00:00",""
"2021564","11.622","0.005","12.346","0.006","18.669","0.009","90","","92.13","0.03","90","","2677","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)zinc(II)] 1.76-hydrate]","","- C26 H23.52 N4 O7.76 Zn -","- C26 H23.52 N4 O7.76 Zn -","- C104 H94.08 N16 O31.04 Zn4 -","4","1","YO3061","Chen, Hui-Ru","A fourfold interpenetrating diamond-like three-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2019","75","5","504","507","10.1107/S2053229619004303","","","0.71073","MoKα","","0.0337","0.0285","","","0.0768","0.079","","","","","","1.053","","","","has coordinates,has Fobs","215662","2020-10-21","18:00:00",""
"2021565","17.8173","0.0004","18.0361","0.0004","18.0674","0.0004","105.211","0.002","93.579","0.002","100.586","0.002","5469.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tris[μ-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-<i>triangulo</i>-tris[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')palladium(II)] hexakis(hexafluoridophosphate) acetonitrile heptasolvate","","- C80 H75 F36 N25 P6 Pd3 -","- C80 H75 F36 N25 P6 Pd3 -","- C160 H150 F72 N50 P12 Pd6 -","2","1","QP3020","Daran, Jean-Claude; Gimeno, Nicolas; Gouygou, Maryse; Volkman, Jérôme","A triangular palladium(II) supramolecular coordination complex based on 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene and (2,2'-bipyridyl)palladium(II) nitrate: synthesis and crystal structure","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004212","","x-ray","0.71073","MoKα","","0.0668","0.0514","","","0.1395","0.1489","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","214563","2020-10-21","18:00:00",""
"2021566","13.5997","0.0006","9.0354","0.0004","16.5974","0.0008","90","","108.646","0.002","90","","1932.42","0.15","300","2","300.39","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒benzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒benzoic acid (1/1)","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C80 H76 N12 O24 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0653","0.0454","","","0.1045","0.1297","","","","","","1.07","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021567","8.5105","0.0008","22.387","0.002","11.7752","0.0011","90","","108.664","0.004","90","","2125.5","0.3","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒β-naphthol (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒β-naphthol (1/1)","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C92 H84 N12 O20 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0798","0.0584","","","0.1554","0.1932","","","","","","1.061","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021568","9.1309","0.0004","11.1274","0.0004","11.8538","0.0005","107.365","0.001","103.27","0.001","110.091","0.001","1002.73","0.07","300","2","300","","","","","","","","","4","P -1","-P 1","2","Benzoylmetronidazole‒4-methoxybenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒4-methoxybenzoic acid (1/1)","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0689","0.0586","","","0.1509","0.1647","","","","","","1.049","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021569","21.0988","0.0013","8.4322","0.0005","12.0341","0.0008","90","","99.505","0.002","90","","2111.6","0.2","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒3,5-dinitrobenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3,5-dinitrobenzoic acid (1/1)","","- C20 H17 N5 O10 -","- C20 H17 N5 O10 -","- C80 H68 N20 O40 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0975","0.0645","","","0.1783","0.2129","","","","","","1.142","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021570","7.9316","0.0007","11.9585","0.0012","12.1978","0.0012","76.362","0.003","78.927","0.003","79.583","0.003","1092.21","0.18","300","2","300","","","","","","","","","4","P -1","-P 1","2","Benzoylmetronidazole‒3-aminobenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3-aminobenzoic acid (1/1)","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C40 H40 N8 O12 -","2","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.1051","0.0536","","","0.1353","0.1679","","","","","","1.005","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021571","9.5055","0.0006","31.2239","0.0019","6.8578","0.0004","90","","102.628","0.002","90","","1986.2","0.2","301","2","301.34","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒salicylic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒salicylic acid (1/1)","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0484","0.0417","","","0.1079","0.115","","","","","","1.055","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021572","43.13","0.003","5.7944","0.0004","15.2645","0.0011","90","","109.6","0.003","90","","3593.8","0.4","302","2","302.34","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Benzoylmetronidazole‒maleic acid (1/1)","1-[2-(Benzoyloxy)ethyl]-2-methyl-5-nitro-1<i>H</i>-imidazol-3-ium 3-carboxyprop-2-enoate","","- C17 H17 N3 O8 -","- C17 H17 N3 O8 -","- C136 H136 N24 O64 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.1237","0.0557","","","0.1173","0.1465","","","","","","1.019","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021573","8.83","0.0003","33.7182","0.001","7.3199","0.0002","90","","107.878","0.001","90","","2074.13","0.11","304","2","304","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒isophthalic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒isophthalic acid (1/1)","","- C21 H19 N3 O8 -","- C21 H19 N3 O8 -","- C84 H76 N12 O32 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0668","0.0502","","","0.1313","0.1445","","","","","","1.035","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021574","26.3241","0.0004","7.1612","0.0001","33.8433","0.0005","90","","90","","90","","6379.87","0.16","300","2","300.39","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Benzoylmetronidazole‒resorcinol (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒resorcinol (2/1)","","- C32 H32 N6 O10 -","- C32 H32 N6 O10 -","- C256 H256 N48 O80 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0579","0.0484","","","0.1329","0.1466","","","","","","1.033","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021575","9.0358","0.0005","26.6419","0.0014","6.8796","0.0003","90","","102.419","0.002","90","","1617.38","0.14","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒fumaric acid (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒fumaric acid (2/1)","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C60 H60 N12 O24 -","2","0.5","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0752","0.0514","","","0.1298","0.1507","","","","","","1.046","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021576","26.1542","0.0004","7.2708","0.0001","16.6719","0.0003","90","","90","","90","","3170.36","0.09","300","","297","","","","","","","","","4","P b c n","-P 2n 2ab","60","Benzoylmetronidazole‒malonic acid (4/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒malonic acid (4/1)","","- C29 H28 N6 O12 -","- C29 H28 N6 O12 -","- C116 H112 N24 O48 -","4","0.5","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0834","0.0779","","","0.2572","0.2678","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","214564","2020-10-21","18:00:00",""
"2021577","8.2443","0.0004","15.9009","0.0007","15.4526","0.0008","90","","102.454","0.002","90","","1978.04","0.17","301","2","301.07","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒2,6-dihydroxybenzoic acid (1/1)","1-[2-(Benzoyloxy)ethyl]-2-methyl-5-nitro-1<i>H</i>-imidazol-3-ium 2,6-dihydroxybenzoate","","- C20 H19 N3 O8 -","- C20 H19 N3 O8 -","- C80 H76 N12 O32 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0847","0.0691","","","0.167","0.1853","","","","","","1.1","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021578","7.1481","0.0002","36.7892","0.0008","18.0584","0.0004","90","","100.451","0.001","90","","4670.1","0.2","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒3,5-dihydroxybenzoic acid (3/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3,5-dihydroxybenzoic acid (3/1)","","- C46 H45 N9 O16 -","- C46 H45 N9 O16 -","- C184 H180 N36 O64 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0865","0.0516","","","0.1322","0.1757","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","214564","2020-10-21","18:00:00",""
"2021579","5.01","0.0002","9.593","0.0004","17.3488","0.0008","91.192","0.002","96.049","0.002","92.858","0.002","827.84","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Cd(cptpy)~2~]~n~","Poly[bis[μ~3~-4-(3,2':6',3''-terpyridin-4'-yl)benzoato]cadmium(II)]","","- C44 H28 Cd N6 O4 -","- C44 H28 Cd N6 O4 -","- C44 H28 Cd N6 O4 -","1","0.5","CU3138","Xu, Bin; Luo, Fuming; Tang, Guodong; Zhang, Jinfang","A 4'-(4-carboxyphenyl)-3,2':6',3''-terpyridine-based luminescent cadmium(II) coordination polymer for the detection of 2,4,6-trinitrophenol","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004248","","","0.71073","MoKα","","0.0232","0.0227","","","0.0592","0.0596","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","214565","2020-10-21","18:00:00",""
"2021580","18.5007","0.0004","18.5396","0.0004","14.809","0.0003","90","","91.9976","0.0017","90","","5076.33","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Acetato-1κ<i>O</i>:2κ<i>O</i>'-μ-propanoato-1κ<i>O</i>:2κ<i>O</i>'-bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>'-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>) dichloromethane monosolvate","","- C52 H52 Cl2 O8 Os2 P2 -","- C52 H52 Cl2 O8 Os2 P2 -","- C208 H208 Cl8 O32 Os8 P8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","1.54184","CuKα","","0.0267","0.0232","","","0.0531","0.0548","","","","","","0.998","","","","has coordinates,has disorder","215660","2020-10-21","18:00:00",""
"2021581","7.6949","0.0005","14.3612","0.001","13.8623","0.0009","90","","105.202","0.001","90","","1478.29","0.17","200","2","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C10 H6 O10 Os2 -","- C10 H6 O10 Os2 -","- C40 H24 O40 Os8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0254","0.0227","","","0.0536","0.0549","","","","","","1.086","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021582","10.452","0.004","11.229","0.004","13.045","0.005","82.813","0.006","89.157","0.008","89.457","0.009","1518.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)","","- C30 H27 O9 Os2 P -","- C30 H27 O9 Os2 P -","- C60 H54 O18 Os4 P2 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0216","0.0197","","","0.0442","0.0449","","","","","","1.024","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021583","12.81225","0.00016","14.8455","0.0002","16.6818","0.0002","98.1785","0.0011","101.79","0.0011","113.385","0.0014","2761.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>) <i>p</i>-xylene sesquisolvate","","- C62 H63 O8 Os2 P2 -","- C62 H63 O8 Os2 P2 -","- C124 H126 O16 Os4 P4 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0321","0.0266","","","0.0648","0.0678","","","","","","1.047","","","","has coordinates","215660","2020-10-21","18:00:00",""
"2021584","9.79942","0.0001","15.51827","0.00019","21.7339","0.0002","90","","90","","90","","3305.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C12 H10 O10 Os2 -","- C12 H10 O10 Os2 -","- C96 H80 O80 Os16 -","8","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0187","0.0175","","","0.0385","0.0391","","","","","","1.034","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021585","10.0952","0.0002","11.663","0.0003","13.7536","0.0003","88.6185","0.0019","86.7627","0.0018","86.9563","0.0019","1614.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)","","- C32 H31 O9 Os2 P -","- C32 H31 O9 Os2 P -","- C64 H62 O18 Os4 P2 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.02","0.019","","","0.0457","0.0463","","","","","","1.081","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021586","18.4968","0.0006","18.7369","0.0007","14.9214","0.0006","90","","91.806","0.002","90","","5168.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>), dichloromethane monosolvate","","- C53 H54 Cl2 O8 Os2 P2 -","- C53 H54 Cl2 O8 Os2 P2 -","- C212 H216 Cl8 O32 Os8 P8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0505","0.0356","","","0.0671","0.0711","","","","","","1.073","","","","has coordinates,has disorder","215660","2020-10-21","18:00:00",""
"2021587","10.7707","0.0004","10.8014","0.0004","20.379","0.0007","104.393","0.001","91.009","0.001","98.993","0.001","2264.27","0.14","200","2","199.94","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-formato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C48 H44 O8 Os2 P2 -","- C48 H44 O8 Os2 P2 -","- C96 H88 O16 Os4 P4 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0375","0.0303","","","0.0776","0.0817","","","","","","1.064","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021588","5.4874","0.0001","43.4767","0.0007","11.4892","0.0002","90","","98.144","0.002","90","","2713.38","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","Ivabradine hydrochloride hemihydrate","{[3,4-Dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}[3-(7,8-dimethoxy-2-oxo-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-3-yl)propyl]methylazanium hemihydrate","","- C27 H38 Cl N2 O5.5 -","- C27 H38 Cl N2 O5.5 -","- C108 H152 Cl4 N8 O22 -","4","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","1.54184","CuKα","","0.0426","0.0372","","","0.0919","0.0957","","","","","","1.04","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021589","8.6747","0.0002","18.2437","0.0005","38.6507","0.0009","90","","90","","90","","6116.8","0.3","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ivabradine hydrochloride tetrahydrate","[3-(7,8-Dimethoxy-2-oxo-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-3-yl)propyl]{[3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}methylazanium tetrahydrate","","- C27 H45 Cl N2 O9 -","- C27 H45 Cl N2 O9 -","- C216 H360 Cl8 N16 O72 -","8","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","0.71073","MoKα","","0.1133","0.0427","","","0.0861","0.106","","","","","","0.956","","","","has coordinates,has Fobs","215659","2020-10-21","18:00:00",""
"2021590","11.2427","0.0003","10.1287","0.0002","17.7683","0.0003","90","","92.501","0.002","90","","2021.42","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Benzoato-κ^2^<i>O</i>,<i>O</i>')[(<i>E</i>)-2-({[2-(diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) dihydrate","","- C20 H28 Cu N2 O5 -","- C20 H28 Cu N2 O5 -","- C80 H112 Cu4 N8 O20 -","4","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.0415","0.0283","","","0.0694","0.0756","","","","","","1.066","","","","has coordinates,has Fobs","215664","2020-10-21","18:00:00",""
"2021591","23.1862","0.001","6.4178","0.0003","13.1598","0.0006","90","","90","","90","","1958.24","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","[(<i>E</i>)-2-({[2-(Diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>](2-phenylacetato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C21 H26 Cu N2 O3 -","- C21 H26 Cu N2 O3 -","- C84 H104 Cu4 N8 O12 -","4","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.1145","0.0557","","","0.0951","0.1207","","","","","","1.04","","","","has coordinates,has Fobs","215664","2020-10-21","18:00:00",""
"2021592","10.51085","0.00016","22.2419","0.0005","28.8403","0.0005","90","","90","","90","","6742.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate","","- C32 H41 Cl Cu2 N4 O8 -","- C32 H41 Cl Cu2 N4 O8 -","- C256 H328 Cl8 Cu16 N32 O64 -","8","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.12","0.0527","","","0.1031","0.1349","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","215664","2020-10-21","18:00:00",""
"2021593","8.337","0.004","8.337","0.004","4.229","0.002","90","","90","","120","","254.6","0.2","150","2","150","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Hexagadolinium iron bismuthide","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","FN3304","Zhang, Jiliang; Kang, Yong-Mook; Shan, Guangcun; Bobev, Svilen","Structural analysis of Gd~6~FeBi~2~ from single-crystal X-ray diffraction methods and electronic structure calculations","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004868","","","0.71073","MoKα","","0.0263","0.0234","","","0.0392","0.0401","","","","","","1.042","","","","has coordinates,has Fobs","214651","2020-10-21","18:00:00",""
"2021594","7.9134","0.0018","9.06","0.002","18.63","0.004","95.21","0.03","100.79","0.03","107.14","0.03","1238.5","0.6","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ-aqua-diaquabis{μ~5~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}tricadmium(II)] dihydrate]","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","YF3170","Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli","Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization","Acta Crystallographica Section C","2019","75","5","575","583","10.1107/S2053229619004960","","","0.71073","MoKα","","0.026","0.0228","","","0.063","0.0652","","","","","","1.01","","","","has coordinates,has Fobs","215657","2020-10-21","18:00:00",""
"2021595","25.853","0.005","18.594","0.004","17.168","0.003","90","","107.14","0.03","90","","7886","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aqua{μ~6~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}(μ-formato)[μ-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]dicadmium(II)] dihydrate]","","- C40 H32 Cd2 N4 O14 -","- C40 H28 Cd2 N4 O12 -","- C320 H224 Cd16 N32 O96 -","8","1","YF3170","Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli","Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization","Acta Crystallographica Section C","2019","75","5","575","583","10.1107/S2053229619004960","","","0.71","synchrotron","","0.0458","0.0389","","","0.1159","0.1206","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","215657","2020-10-21","18:00:00",""
"2021596","6.3506","0.0006","9.2241","0.0009","13.4984","0.0013","79.091","0.008","87.215","0.008","85.815","0.008","773.87","0.13","295","0.14","295","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0819","0.0496","","","0.106","0.1228","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021597","6.3453","0.0003","9.1929","0.0005","13.4917","0.0007","79.103","0.005","87.266","0.004","85.857","0.005","770.32","0.07","275","0.14","275","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0743","0.0484","","","0.1023","0.1149","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021598","6.3346","0.0003","9.1641","0.0005","13.4642","0.0007","79.222","0.004","87.305","0.004","85.936","0.004","765.44","0.07","250","0.14","250","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.067","0.0456","","","0.0997","0.1109","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021599","6.3186","0.0005","9.1502","0.0008","13.4244","0.0011","79.314","0.007","87.303","0.007","85.948","0.007","760.33","0.11","225","0.14","225","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0611","0.0435","","","0.0913","0.1001","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021600","6.3064","0.0005","9.1298","0.0007","13.3984","0.0011","79.397","0.007","87.344","0.007","85.986","0.006","755.96","0.11","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0564","0.0406","","","0.0878","0.0968","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021601","6.2891","0.0003","9.096","0.0004","13.3659","0.0005","79.436","0.004","87.381","0.003","86.026","0.004","749.41","0.06","175","0.14","175","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0518","0.0391","","","0.088","0.095","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021602","6.2738","0.0003","9.0824","0.0004","13.3414","0.0005","79.449","0.004","87.415","0.003","86.013","0.004","745.14","0.06","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0493","0.0383","","","0.0868","0.0931","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021603","6.2586","0.0002","9.0748","0.0004","13.3249","0.0005","79.432","0.003","87.442","0.003","85.975","0.003","741.73","0.05","124.9","0.3","124.9","0.3","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0453","0.0363","","","0.0818","0.0862","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021604","6.2433","0.0002","9.0724","0.0004","13.3119","0.0005","79.359","0.004","87.461","0.003","85.933","0.003","738.8","0.05","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.044","0.0359","","","0.0816","0.086","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021605","6.4948","0.0003","9.052","0.0004","13.4605","0.0006","82.467","0.004","85.251","0.004","85.836","0.004","780.3","0.06","295","0.14","295","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0686","0.0442","","","0.1026","0.1156","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021606","6.4468","0.0003","9.0141","0.0005","13.485","0.0007","82.36","0.004","85.368","0.004","85.553","0.004","772.38","0.07","250","0.14","250","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0729","0.0482","","","0.1076","0.1215","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021607","6.3939","0.0003","8.9809","0.0004","13.5213","0.0007","82.129","0.004","85.602","0.004","85.341","0.004","764.89","0.06","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0629","0.0451","","","0.103","0.1131","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021608","6.3358","0.0008","8.9455","0.0011","13.5482","0.0015","81.976","0.01","85.919","0.01","85.273","0.01","756.38","0.16","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0737","0.05","","","0.1117","0.1265","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021609","6.3091","0.001","8.927","0.0015","13.576","0.003","81.882","0.016","86.073","0.016","85.167","0.013","753","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.1069","0.069","","","0.1473","0.1729","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021610","3.92672","0.00005","12.9632","0.0002","10.0974","0.0001","90","","90","","90","","513.987","0.011","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium erbium copper trisulfide","","- Cu Er S3 Sr -","- Cu Er S3 Sr -","- Cu4 Er4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02603","","","","","","","","3.62695","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021611","10.3288","0.0002","3.96271","0.00007","12.9397","0.0002","90","","90","","90","","529.622","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium gadolinium copper trisulfide","","- Cu Gd S3 Sr -","- Cu Gd S3 Sr -","- Cu4 Gd4 S12 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02183","","","","","","","","2.76254","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021612","3.91105","0.00004","12.9504","0.0001","10.0206","0.0001","90","","90","","90","","507.54","0.008","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium lutetium copper trisulfide","","- Cu Lu S3 Sr -","- Cu Lu S3 Sr -","- Cu4 Lu4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.01272","","","","","","","","3.41375","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021613","10.4285","0.0002","3.9864","0.00007","12.9325","0.0002","90","","90","","90","","537.632","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium samarium copper trisulfide","","- Cu S3 Sm Sr -","- Cu S3 Sm Sr -","- Cu4 S12 Sm4 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.0209","","","","","","","","2.57424","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021614","11.0764","0.0005","9.6272","0.0004","10.1113","0.0005","90","","114.281","0.001","90","","982.84","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquatri-μ~2~-oxalato-dieuropium] 4.34-hydrate]","","- C3 H6 Eu O11.34 -","- C3 H6 Eu O11.3421 -","- C12 H24 Eu4 O45.3684 -","4","1","QP3022","Alexander, Dinu; Thomas, Kukku; Joy, Monu; Biju, P. R.; Unnikrishnan, N. V.; Joseph, Cyriac","Structural and spectroscopic investigations on the quenching free luminescence of europium oxalate nanocrystals","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619005059","","","0.71073","MoKα","","0.016","0.0133","","","0.0296","0.0303","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","214848","2020-10-21","18:00:00",""
"2021617","9.2244","0.0007","11.554","0.0008","12.8659","0.0009","90","","97.722","0.006","90","","1358.8","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[3,14-Diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) bis(perchlorate)‒3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate) (0.69/0.31)","","- C22 H44.62 Cl2 Cu0.69 N4 O8 -","- C22 H44.624 Cl2 Cu0.688 N4 O8 -","- C44 H89.248 Cl4 Cu1.376 N8 O16 -","2","0.5","YF3174","Moncol, Jan; Mazúr, Milan; Valko, Marian; Choi, Jong-Ha","Synthesis, structural characterization, EPR spectroscopy and Hirshfeld surface analysis of a novel Cu^2+^-doped 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate)","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005588","","","1.54186","CuKα","","0.1059","0.0765","","","0.189","0.207","","","","","","0.956","","","","has coordinates,has disorder","215169","2020-10-21","18:00:00",""
"2021618","7.8682","0.0003","7.8682","0.0003","52.555","0.003","90","","90","","120","","2817.7","0.2","120","2","120","2","","","","","","","","3","P 65","P 65","170","","Methyl α-<i>D</i>-mannopyranosyl-(1-3)-2-<i>O</i>-Acetyl-β-<i>D</i>-mannopyranoside monohydrate","","- C15 H28 O13 -","- C15 H28 O13 -","- C90 H168 O78 -","6","1","QS3082","Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S.","Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate","Acta Crystallographica Section C Structural Chemistry","2019","75","6","","","10.1107/S2053229619004728","","","1.54184","CuKα","","0.0217","0.0217","","","0.0576","0.0576","","","","","","1.06","","","","has coordinates,has Fobs","215170","2020-10-21","18:00:00",""
"2021619","10.2769","0.0007","12.2445","0.0007","20.0804","0.0013","90","","90","","90","","2526.8","0.3","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-{(<i>Z</i>)-2-{(<i>Z</i>)-[(1a<i>R</i>,5a<i>R</i>,9a<i>S</i>)-1,1-dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-ylidene]hydrazono}-4-oxothiazolidin-3-yl)acetate","","- C23 H31 Cl2 N3 O3 S -","- C23 H31 Cl2 N3 O3 S -","- C92 H124 Cl8 N12 O12 S4 -","4","1","YO3060","Bimoussa, Abdoullah; Koumya, Yassine; Abouelfida, Abdesselam; Ait Itto, Moulay Youssef; Benyaich, Abdelaziz; Mentre, Olivier; Ketatni, El Mostafa; Auhmani, Aziz; Auhmani, Abdelwahed","Hemisynthesis, crystal structure and inhibitory effect of sesquiterpenic thiosemicarbazones and thiazolidin-4-ones on the corrosion behaviour of stainless steel in 1<i>M</i> H~2~SO~4~ solution","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005631","","","0.71073","MoKα","","0.0633","0.0381","","","0.0796","0.0886","","","","","","1.03","","","","has coordinates,has disorder","215171","2020-10-21","18:00:00",""
"2021620","9.592","0.0006","13.4325","0.0007","14.2186","0.0008","90","","103.29","0.002","90","","1782.93","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>RS</i>)-13-ethyl-2-fluoro-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 F N O3 -","- C22 H20 F N O3 -","- C88 H80 F4 N4 O12 -","4","1","YF3175","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[<i>b</i>,<i>e</i>]azepines and 5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines and their conversion to 4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylates and <i>N</i>-acetyl-5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines: synthetic sequence, spectroscopic characterization and the structures of two products","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005746","","","0.71073","MoKα","","0.0487","0.0399","","","0.1024","0.1115","","","","","","1.062","","","","has coordinates,has Fobs","215190","2020-10-21","18:00:00",""
"2021621","8.333","0.005","20.8","0.014","9.186","0.006","90","","107.857","0.017","90","","1515.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-5-Acetyl-2-chloro-11-methyl-5,6,11,12-tetrahydrobenzo[<i>b</i>,<i>f</i>]azocine","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","YF3175","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[<i>b</i>,<i>e</i>]azepines and 5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines and their conversion to 4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylates and <i>N</i>-acetyl-5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines: synthetic sequence, spectroscopic characterization and the structures of two products","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005746","","","0.71073","MoKα","","0.0458","0.0382","","","0.0909","0.0953","","","","","","1.066","","","","has coordinates,has Fobs","215190","2020-10-21","18:00:00",""
"2021622","8.5888","0.0017","11.372","0.002","11.66","0.002","64.87","0.03","73.1","0.03","80.71","0.03","985.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[di-μ-chlorido-bis[(2-carboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]]-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}] dihydrate]","","- C19 H17 Cd Cl N4 O5 -","- C19 H15 Cd Cl N4 O4 -","- C38 H30 Cd2 Cl2 N8 O8 -","2","1","LG3237","Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia","Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005758","","","0.71073","MoKα","","0.0446","0.0378","","","0.0712","0.0746","","","","","","1.06","","","","has coordinates,has Fobs","215191","2020-10-21","18:00:00",""
"2021623","8.9624","0.0018","10.256","0.002","13.07","0.003","96.13","0.03","106.88","0.03","113.57","0.03","1019.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ~2~-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}cadmium(II)] dihydrate]","","- C19 H20 Cd N4 O7 -","- C19 H20 Cd N4 O7 -","- C38 H40 Cd2 N8 O14 -","2","1","LG3237","Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia","Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005758","","","0.71073","MoKα","","0.0363","0.032","","","0.0641","0.0663","","","","","","1.077","","","","has coordinates,has Fobs","215191","2020-10-21","18:00:00",""
"2021624","7.7005","0.0004","9.2774","0.0005","12.6853","0.0006","90","","90","","90","","906.25","0.08","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-1,4-diazepane-1,4-diium dibromide","","- C5 H14 Br2 N2 O -","- C5 H14 Br2 N2 O -","- C20 H56 Br8 N8 O4 -","4","1","KU3242","Piontek, Mateusz; Morgenstern, Bernd; Steinbrück, Nils; Oberhausen, Bastian; Kickelbick, Guido; Hegetschweiler, Kaspar","HBr or not HBr? That is the question: crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide redetermined","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005321","","","0.71073","MoKα","","0.0483","0.0372","","","0.0594","0.0632","","","","","","0.932","","","","has coordinates,has Fobs","215244","2020-10-21","18:00:00",""
"2021625","10.27","0.0008","11.9701","0.0009","12.5459","0.0011","90.821","0.001","91.089","0.001","92.278","0.002","1540.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^}nickel(II)] dimethylformamide hemisolvate monohydrate]","","- C29.5 H27.5 N2.5 Ni O9.5 -","- C29.5 H27.5 N2.5 Ni O9.5 -","- C59 H55 N5 Ni2 O19 -","2","1","FN3301","Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen","Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005850","","","0.71073","MoKα","","0.1036","0.0792","","","0.2162","0.2338","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","215245","2020-10-21","18:00:00",""
"2021626","11.503","0.0009","16.4391","0.0014","20.5549","0.0018","90","","101.816","0.002","90","","3804.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquatris[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']bis{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^5^}nickel(II)] dimethylformamide disolvate hexahydrate]","","- C74 H80 N8 Ni2 O24 -","- C74 H80 N8 Ni2 O24 -","- C148 H160 N16 Ni4 O48 -","2","0.5","FN3301","Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen","Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005850","","","0.71073","MoKα","","0.0732","0.0455","","","0.1085","0.1237","","","","","","1.04","","","","has coordinates,has Fobs","215245","2020-10-21","18:00:00",""
"2021627","13.1146","0.0006","14.8676","0.0007","22.4297","0.001","87.244","0.002","80.719","0.002","68.535","0.002","4016.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","8","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.0885","0.0615","","","0.1725","0.1935","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021628","13.0549","0.0006","15.6867","0.0008","20.0965","0.001","90","","100.315","0.002","90","","4049","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","4","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.1479","0.1274","","","0.3139","0.3465","","","","","","1.525","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021629","12.5339","0.0003","13.5178","0.0004","14.4107","0.0004","117.741","0.002","92.687","0.002","106.548","0.002","2024.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C88 H56 N8 S16 -","8","4","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.1998","0.0644","","","0.1645","0.2067","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021630","15.4853","0.0005","32.7646","0.0009","16.8635","0.0004","90","","101.633","0.002","90","","8380.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trisodium bis(carboxymethoxy)bis(carboxylatomethoxy)calix[4]arene tris(carboxymethoxy)(carboxylatomethoxy)calix[4]arene‒2-(thiophen-2-yl)-1,3-benzothiazole‒dimethyl sulfoxide‒water (1/1/2/2)","","- C87 H84 N Na3 O28 S4 -","- C87 H84 N Na3 O28 S4 -","- C348 H336 N4 Na12 O112 S16 -","4","1","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.2791","0.1011","","","0.256","0.3596","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021631","12.901","0.0015","20.055","0.003","8.7001","0.0013","90","","123.161","0.007","90","","1884.4","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0504","0.0415","","","0.0973","0.1047","","","","","","1.045","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021632","8.8623","0.0004","14.4656","0.0007","14.2723","0.0007","90","","90","","90","","1829.69","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0476","0.0371","","","0.0836","0.0889","","","","","","1.056","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021633","30.184","0.003","5.8907","0.0005","7.7144","0.0006","90","","98.04","0.005","90","","1358.2","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one","","- C17 H12 F2 O -","- C17 H12 F2 O -","- C68 H48 F8 O4 -","4","0.5","OV3125","Ferreira, Lívia O. A.; Valdo, Ana Karoline S. M.; Nascimento Neto, José Antônio; Ribeiro, Leandro; da Silva, Jefferson R. D.; Queiroz Jr., Luiz H. K.; Perez, Caridad N.; Martins, Felipe T.","ss-NMR and single-crystal X-ray diffraction in the elucidation of a new polymorph of bischalcone (1<i>E</i>,4<i>E</i>)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006156","","","1.54178","CuKα","","0.0606","0.0445","","","0.1166","0.1287","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","215301","2020-10-21","18:00:00",""
"2021634","15.3886","0.0004","15.9246","0.0004","20.2111","0.0005","97.8276","0.0013","105.173","0.0013","90.3499","0.0013","4731.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Fe(TPP)pyrNO]SbF6","(Pyridine <i>N</i>-oxide-κ<i>O</i>)(5,10,15,20-tetraphenylporphinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) hexafluoroantimonate(V) dichloromethane disolvate","","- C51 H37 Cl4 F6 Fe N5 O Sb -","- C51 H37 Cl4 F6 Fe N5 O Sb -","- C204 H148 Cl16 F24 Fe4 N20 O4 Sb4 -","4","2","FN3305","Short, Melanie A.; Sommer, Roger D.; Falzone, Alec J.; Huang, Tao; Weare, Walter W.; Roizen, Jennifer L.","A five-coordinate iron(III) porphyrin complex including a neutral axial pyridine <i>N</i>-oxide ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005849","","","0.71073","MoKα","","0.055","0.0361","","","0.0829","0.0915","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215345","2020-10-21","18:00:00",""
"2021635","16.6652","0.0012","6.6975","0.0003","18.6763","0.0012","90","","105.963","0.007","90","","2004.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-4-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^] trihydrate]","","- C20 H17 Cu N3 O9 -","- C20 H17 Cu N3 O9 -","- C80 H68 Cu4 N12 O36 -","4","1","OV3127","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Understanding metal‒ligand interactions in coordination polymers using Hirshfeld surface analysis","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005874","","","0.71073","MoKα","","0.0847","0.0513","","","","0.1246","","","","","","1.035","","","","has coordinates,has Fobs","215346","2020-10-21","18:00:00",""
"2021636","11.9021","0.0019","12.68","0.002","14.867","0.002","98.597","0.002","99.6","0.002","102.882","0.002","2115.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)dieuropium(III) octahydrate","","- C72 H82 Co Eu2 N12 O42 -","- C72 H82 Co Eu2 N12 O42 -","- C72 H82 Co Eu2 N12 O42 -","1","0.5","LF3091","Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin","Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006004","","","0.71073","MoKα","","0.0278","0.0259","","","0.0741","0.0754","","","","","","1.081","","","","has coordinates,has Fobs","215347","2020-10-21","18:00:00",""
"2021637","11.8977","0.0006","12.649","0.0006","14.8487","0.0008","98.518","0.001","99.901","0.001","102.715","0.001","2106.78","0.19","296","2","296.02","","","","","","","","","6","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)diterbium(III) octahydrate","","- C72 H82 Co N12 O42 Tb2 -","- C72 H82 Co N12 O42 Tb2 -","- C72 H82 Co N12 O42 Tb2 -","1","0.5","LF3091","Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin","Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006004","","x-ray","0.71073","MoKα","","0.0281","0.0261","","","0.0708","0.0722","","","","","","1.054","","","","has coordinates,has Fobs","215347","2020-10-21","18:00:00",""
"2021638","9.0318","0.0005","9.0318","0.0005","32.6499","0.0013","90","","90","","120","","2306.5","0.2","293","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Octadecalanthanum decatungsten heptapentacontaoxide","","- La18 O57 W10 -","- La18 O57 W10 -","- La36 O114 W20 -","2","0.166667","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71069","MoKα","","0.024","0.0237","","","0.0333","0.0334","","","","2.09","2.09","2.09","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2021639","9.0363","0.0003","9.0363","0.0003","27.3412","0.0003","90","","90","","120","","1933.43","0.09","293","0.1","293","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- La15 O48 W8.5 -","- La15 O48 W8.499 -","- La30 O96 W16.998 -","2","0.333333","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71073","MoKα","","0.0766","0.0694","","","0.0669","0.0694","","","","1.98","1.98","1.95","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2021640","11.2687","0.0006","8.369","0.0005","8.9974","0.0005","90","","95.724","0.005","90","","844.29","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1-Azabicyclo[2.2.2]oct-3-ylidene)hydrazine monohydrate","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C28 H60 N12 O4 -","4","1","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.0537","0.0394","","","0.0915","0.0971","","","","","","1.045","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021641","19.7143","0.0013","6.6047","0.0004","9.9924","0.0006","90","","90","","90","","1301.08","0.14","288","2","288","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-Bis(1-azabicyclo[2.2.2]oct-3-ylidene)hydrazine","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","0.5","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.056","0.0411","","","0.1049","0.112","","","","","","1.072","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021642","6.1699","0.0003","12.5258","0.0007","10.657","0.0005","90","","103.023","0.005","90","","802.42","0.07","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1,2-Bis(1-azoniabicyclo[2.2.2]oct-3-ylidene)hydrazine dichloride","","- C14 H24 Cl2 N4 -","- C14 H24 Cl2 N4 -","- C28 H48 Cl4 N8 -","2","1","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.0431","0.0378","","","0.0925","0.0967","","","","","","0.997","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021643","9.7632","0.0005","10.8846","0.0005","18.5771","0.0009","99.687","0.001","91.504","0.001","93.472","0.001","1941.11","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","{1,3-Bis[(diphenylphosphanyl)methyl]hexahydropyrimidin-2-yl-κ<i>N</i>^2^}(2,6-dimethylphenyl isocyanide-κ<i>C</i>)nickel(II) hexafluoridophosphate 0.70-hydrate","","- C39 H40.41 Cl F6 N3 Ni O0.7 P3 -","- C39 H40.404 Cl F6 N3 Ni O0.702 P3 -","- C78 H80.808 Cl2 F12 N6 Ni2 O1.404 P6 -","2","1","KY3175","Subramaniyan, Vasudevan; Kumar, Ashok; Govindaraj, Anbarasu; Mani, Ganesan","Crystal structure and DFT analyses of a pentacoordinated PCP pincer nickel(II) complex","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006211","","","0.71073","MoKα","","0.0352","0.0299","","","0.0714","0.0753","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","215393","2020-10-21","18:00:00",""
"2021644","27.4361","0.0019","9.0861","0.0009","40.473","0.002","90","","108.581","0.007","90","","9563.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[hemi-μ-aqua-aqua(μ~3~-4,4'-{9,9'-spirobi[10<i>H</i>-\ acridine]-10,10'-diyl}dibenzoato)cadmium(II)]","","- C39 H27 Cd N2 O5.5 -","- C39 H27 Cd N2 O5.5 -","- C312 H216 Cd8 N16 O44 -","8","1","YP3184","Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin","Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006119","","x-ray","1.54184","CuKα","","0.0855","0.0671","","","0.198","0.2269","","","","","","1.118","","","","has coordinates,has Fobs","215468","2020-10-21","18:00:00",""
"2021645","12.6717","0.001","13.0727","0.0009","13.9254","0.0011","65.029","0.007","75.294","0.007","68.42","0.007","1931.2","0.3","293.86","0.1","293.86","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-{9,9'-Spirobi[10<i>H</i>-acridine]-10,10'-diyl}dibenzoic acid","","- C39 H26 N2 O4 -","- C39 H26 N2 O4 -","- C78 H52 N4 O8 -","2","1","YP3184","Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin","Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006119","","x-ray","1.54184","CuKα","","0.0821","0.0569","","","0.1852","0.1997","","","","","","1.096","","","","has coordinates,has Fobs","215468","2020-10-21","18:00:00",""
"2021646","10.3034","0.0004","11.4856","0.0004","14.4725","0.0005","81.013","0.002","69.861","0.002","69.99","0.002","1509.47","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","2","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0841","0.0422","","","0.0893","0.1122","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","215469","2020-10-21","18:00:00",""
"2021647","14.1163","0.0009","11.7268","0.0007","9.3982","0.0005","90","","94.259","0.003","90","","1551.47","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-nitrophenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H13 N3 O4 -","- C17 H13 N3 O4 -","- C68 H52 N12 O16 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.09","0.0434","","","0.0947","0.1213","","","","","","1.007","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021648","7.7302","0.0006","17.255","0.0016","13.1989","0.0011","90","","106.079","0.002","90","","1691.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0905","0.0474","","","0.1043","0.1297","","","","","","1.031","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021649","8.9432","0.0007","16.0546","0.0014","10.1155","0.0008","90","","97.777","0.002","90","","1439","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-phenyl-5-(piperidin-1-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0916","0.0466","","","0.1117","0.1405","","","","","","1.047","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021650","10.8804","0.0004","11.3363","0.0004","11.5737","0.0004","97.294","0.002","90.05","0.002","117.84","0.002","1249.15","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(3<i>RS</i>)-2-Acetyl-5-(4-azidophenyl)-5'-(2-chlorophenoxy)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]","","- C27 H22 Cl N7 O2 -","- C27 H22 Cl N7 O2 -","- C54 H44 Cl2 N14 O4 -","2","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0866","0.0445","","","0.1008","0.1257","","","","","","1.006","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021651","10.4911","0.0011","11.2048","0.0012","13.5943","0.0017","105.323","0.003","93.505","0.003","117.46","0.003","1335.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(3<i>RS</i>)-2-Acetyl-5-(4-azidophenyl)-3'-methyl-5'-(naphthalen-2-yloxy)-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]","","- C31 H25 N7 O2 -","- C31 H25 N7 O2 -","- C62 H50 N14 O4 -","2","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.119","0.0547","","","0.1379","0.1776","","","","","","1.014","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021652","7.6172","0.001","6.0317","0.0008","27.401","0.004","90","","90.533","0.004","90","","1258.9","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>)-2-(3-Benzoylphenyl)propanoic acid]","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","2","KY3174","Rossi, Patrizia; Paoli, Paola; Ienco, Andrea; Biagi, Diletta; Valleri, Maurizio; Conti, Luca","A new crystal form of the NSAID dexketoprofen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006533","","","1.54178","CuKα","","0.04","0.0393","","","0.1036","0.1051","","","","","","1.058","","","","has coordinates,has Fobs","215586","2020-10-21","18:00:00",""
"2021653","6.8415","0.0007","10.8931","0.0012","20.163","0.002","74.965","0.009","83.815","0.009","72.183","0.01","1381","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","2","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.1134","0.0577","","","0.1116","0.136","","","","","","0.966","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021654","6.8355","0.0011","19.512","0.003","10.881","0.002","90","","107.811","0.019","90","","1381.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","2","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.1615","0.0928","","","0.2173","0.2633","","","","","","1.006","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021655","13.0369","0.0008","13.0804","0.0007","16.2223","0.0008","90","","90","","90","","2766.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C136 H88 N24 O16 -","8","1","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.0778","0.0532","","","0.1481","0.1697","","","","","","1.067","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021656","15.9167","0.0002","15.9167","0.0002","21.5498","0.0009","90","","90","","90","","5459.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[bis{μ~3~-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate]","","- C54 H48 Cd Cl2 N12 O9.5 -","- C54 H48 Cd Cl2 N12 O9.5 -","- C216 H192 Cd4 Cl8 N48 O38 -","4","0.5","UK3178","Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia","Adsorption behaviour of a CdII‒triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions","Acta Crystallographica Section C Structural Chemistry","2019","75","6","806","","10.1107/S2053229619006788","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1452","0.1515","","","","","","1.072","","","","has coordinates,has Fobs","215628","2020-10-21","18:00:00",""
"2021658","8.6877","0.0002","15.179","0.0003","20.9944","0.0004","90","","93.6833","0.0006","90","","2762.83","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']zinc(II)] dimethylformamide monosolvate]","","- C24 H23 Br3 N4 O5 Zn -","- C24 H23 Br3 N4 O5 Zn -","- C96 H92 Br12 N16 O20 Zn4 -","4","1","YF3173","Xu, Jie; Zhang, Kou-Lin","Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands","Acta Crystallographica Section C Structural Chemistry","2019","75","7","","","10.1107/S2053229619007435","","","0.71073","MoKα","","0.0704","0.0365","","","0.0736","0.0837","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215810","2020-10-21","18:00:00",""
"2021659","8.5083","0.0005","13.8444","0.001","22.496","0.0012","90","","90","","90","","2649.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)diaqua[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)oxalamide-κ^2^<i>N</i>:<i>N</i>']zinc(II)] monohydrate]","","- C22 H22 Br3 N5 O9 Zn -","- C22 H22 Br3 N5 O9 Zn -","- C88 H88 Br12 N20 O36 Zn4 -","4","1","YF3173","Xu, Jie; Zhang, Kou-Lin","Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands","Acta Crystallographica Section C Structural Chemistry","2019","75","7","","","10.1107/S2053229619007435","","","0.71073","MoKα","","0.1097","0.0457","","","0.0688","0.0788","","","","","","0.996","","","","has coordinates,has Fobs","215810","2020-10-21","18:00:00",""
"2021660","13.2027","0.0007","13.2027","0.0007","18.3116","0.0012","90","","90","","120","","2764.3","0.3","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","Poly[hexakis[μ~4~-(2-carboxylatophenyl)sulfanido]di-μ~3~-chlorido-tri-μ~2~-hydroxido-octanickel(II)sodium(I)]","","- C42 H27 Cl2 Na Ni8 O15 S6 -","- C42 H27 Cl2 Na Ni8 O15 S6 -","- C84 H54 Cl4 Na2 Ni16 O30 S12 -","2","0.166667","YP3179","Zhu, Jingyan; Yan, Shan; Xiao, Hongping; Jiang, Jun; Li, Xinhua","Nickel(II) cluster-based mixed-cation coordination polymer synthesized from 2-mercaptobenzoic acid and its application","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007368","","","0.71073","MoKα","","0.0767","0.0683","","","0.2054","0.2134","","","","","","1.021","","","","has coordinates,has Fobs","215865","2020-10-21","18:00:00",""
"2021661","17.495","0.0011","6.9483","0.0004","18.1452","0.0012","90","","114.447","0.001","90","","2008","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tripotassium pentaeuropium hexaphosphate","","- Eu5 K3 O24 P6 -","- Eu5 K3 O24 P6 -","- Eu20 K12 O96 P24 -","4","0.5","YP3185","Xue, Ya-Li; Zhang, Ai-Yun; Han, Xiao-Yang; Cui, Xiao-Qi; Deng, Ling; Zhou, Yi-Xiang; Yu, Ya-Ping; Zhao, Dan","K~3~Eu~5~(PO~4~)~6~: hydrothermal synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007794","","","0.71073","MoKα","","0.0321","0.0256","","","0.0588","0.062","","","","","","1.014","","","","has coordinates,has Fobs","215866","2020-10-21","18:00:00",""
"2021662","28.6467","0.0006","5.6358","0.0001","15.1374","0.0003","90","","103.896","0.001","90","","2372.36","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-5-(pyridin-2-yl)-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C104 H80 N32 S8 -","8","2","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0685","0.0419","","","0.0868","0.0951","","","","","","1.064","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021663","5.5945","0.0004","18.9451","0.0012","14.2664","0.0009","90","","90.247","0.002","90","","1512.06","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C64 H56 N16 O8 S4 -","4","1","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0708","0.0426","","","0.0896","0.1025","","","","","","1.014","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021664","11.498","0.0003","13.7848","0.0004","15.0417","0.0004","90","","93.466","0.0014","90","","2379.71","0.11","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(methanol-κ<i>O</i>)bis(methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl-κ</i>^2^<i>N</i>^1^,<i>N</i>^5^]sulfanyl}acetato)zinc(II)/cadmium(II) hexabromidocadmiate(II)","","- C34 H36 Br6 Cd2.24 N8 O6 S2 Zn0.76 -","- C34 H36 Br6 Cd2.242 N8 O6 S2 Zn0.758 -","- C68 H72 Br12 Cd4.484 N16 O12 S4 Zn1.516 -","2","0.5","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0732","0.0391","","","0.0748","0.0856","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","215867","2020-10-21","18:00:00",""
"2021665","8.5198","0.0003","9.4709","0.0003","13.9682","0.0007","105.05","0.003","95.083","0.003","115.081","0.002","960.04","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl-κ</i>^2^<i>N</i>^1^,<i>N</i>^5^]sulfanyl}acetato)mercury(II)","","- C16 H14 Cl2 Hg N4 O2 S -","- C16 H14 Cl2 Hg N4 O2 S -","- C32 H28 Cl4 Hg2 N8 O4 S2 -","2","1","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0352","0.0279","","","0.0576","0.0598","","","","","","1.04","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021666","6.436","0.0004","7.9058","0.0004","8.3495","0.0005","104.055","0.001","90.956","0.002","96.2","0.002","409.3","0.04","296","2","296","","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqualead(II)]-μ-croconato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] monohydrate]","","- C5 H6 O8 Pb -","- C5 H6 O8 Pb -","- C10 H12 O16 Pb2 -","2","1","YF3176","Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007277","","","0.71073","MoKα","","0.019","0.0171","","","0.0416","0.0422","","","","","","1.219","","","","has coordinates,has Fobs","216000","2020-10-21","18:00:00",""
"2021667","6.5123","0.0003","8.8174","0.0004","13.8763","0.0006","90","","96.053","0.001","90","","792.36","0.06","298","2","297.96","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-croconato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^]","","- C5 H6 Cd O8 -","- C5 H6 Cd O8 -","- C20 H24 Cd4 O32 -","4","1","YF3176","Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007277","","","0.71073","MoKα","","0.0166","0.0146","","","0.0365","0.0381","","","","","","1.127","","","","has coordinates,has Fobs","216000","2020-10-21","18:00:00",""
"2021668","7.8491","0.0005","7.8762","0.0006","12.3391","0.0008","100.236","0.002","94.225","0.002","101.865","0.002","729.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^-bis({6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II))","","- C26 H24 Cu2 N16 O2 -","- C26 H24 Cu2 N16 O2 -","- C26 H24 Cu2 N16 O2 -","1","0.5","YP3182","Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie","Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008040","","","0.71073","MoKα","","0.0635","0.0389","","","0.0779","0.0859","","","","","","1.033","","","","has coordinates,has Fobs","216001","2020-10-21","18:00:00",""
"2021669","11.9385","0.0006","9.7023","0.0004","22.5975","0.001","90","","90","","90","","2617.5","0.2","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)","","- C26 H24 N10 Ni O2 -","- C26 H24 N10 Ni O2 -","- C104 H96 N40 Ni4 O8 -","4","0.5","YP3182","Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie","Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008040","","","0.71073","MoKα","","0.0654","0.0449","","","0.1153","0.1237","","","","","","1.05","","","","has coordinates,has Fobs","216001","2020-10-21","18:00:00",""
"2021670","13.1586","0.0005","13.1881","0.0006","23.6681","0.0012","84.996","0.002","88.444","0.002","67.5","0.002","3780.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(Cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline]","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C184 H184 N8 O16 -","4","2","QP3026","Lee, Sunhee; Kwak, Soyoung; Lee, Keumhee; Kim, Byung Gi; Kim, Minseong; Wang, Dong Hwan; Han, Won-Sik","Tuning the energy level of TAPC: crystal structure and photophysical and electrochemical properties of 4,4'-(cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline]","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007101","","","0.71073","MoKα","","0.1417","0.0698","","","0.1051","0.1238","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","216002","2020-10-21","18:00:00",""
"2021671","5.0044","0.0003","38.6364","0.0014","7.6007","0.0004","90","","106.2","0.005","90","","1411.26","0.13","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","αβ-<i>D</i>-Lactose","αβ-<i>D</i>-Lactose","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","2","KY3180","Nicholls, Daniel; Elleman, Carole; Shankland, Norman; Shankland, Kenneth","A new crystalline form of αβ-<small>D</small>-lactose prepared by oven drying a concentrated aqueous solution of <small>D</small>-lactose","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008210","","x-ray","1.54184","CuKα","","0.0576","0.0475","","","0.1149","0.1198","","","","","","1.015","","","","has coordinates,has Fobs","216003","2020-10-21","18:00:00",""
"2021672","10.1029","0.0004","15.9363","0.0005","19.3855","0.0008","90","","100.64","0.004","90","","3067.5","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2-diisopropylaminoethyl)benzimidazol-2-ylidene-κ<i>C</i>^2^]dichlorido(pyridine-κ<i>N</i>)palladium(II)","","- C28 H45 Cl2 N5 Pd -","- C28 H45 Cl2 N5 Pd -","- C112 H180 Cl8 N20 Pd4 -","4","1","FN3308","Karabıyık, Hande; Yiğit, Beyhan; Yiğit, Murat; Özdemir, İsmail; Karabıyık, Hasan","Enhanced π-back-donation resulting in the <i>trans</i> labilization of a pyridine ligand in an N-heterocyclic carbene (NHC) Pd^II^ precatalyst: a case study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007745","","","0.71073","MoKα","","0.0475","0.0324","","","0.0673","0.074","","","","","","1.015","","","","has coordinates,has Fobs","216004","2020-10-21","18:00:00",""
"2021673","5.723","0.006","27.11","0.03","10.984","0.012","90","","89.55","0.03","90","","1704","3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3-phenylprop-2-yn-1-ylidene)cyclopentanone","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1941","0.0841","","","0.154","0.1914","","","","","","1.031","","","","has coordinates,has Fobs","216069","2020-10-21","18:00:00",""
"2021674","7.098","0.003","42.72","0.02","6.135","0.003","90","","90","","90","","1860.3","1.5","120","","120","","","","","","","","","4","A e m 2","A 2 -2b","39","","2,5-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclopentanone","","- C23 H14 Br2 O -","- C23 H14 Br2 O -","- C92 H56 Br8 O4 -","4","0.5","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0966","0.0635","","","0.1478","0.1649","","","","","","0.969","","","","has coordinates,has Fobs","216070","2020-10-21","18:00:00",""
"2021675","5.498","0.004","27.52","0.02","13.885","0.009","90","","124.09","0.03","90","","1740","2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.2024","0.0853","","","0.1075","0.1306","","","","","","1.018","","","","has coordinates,has Fobs","216071","2020-10-21","18:00:00",""
"2021676","12.006","0.002","5.2243","0.001","31.998","0.006","90","","90","","90","","2007","0.6","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,6-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C24 H16 Br2 O -","- C24 H16 Br2 O -","- C96 H64 Br8 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1172","0.0792","","","0.2035","0.2584","","","","","","1.002","","","","has coordinates,has Fobs","216072","2020-10-21","18:00:00",""
"2021677","12.9422","0.0014","6.9614","0.0007","24.721","0.003","90","","97.732","0.002","90","","2207","0.4","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butyl-2,6-bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C28 H25 O -","- C28 H25 O -","- C112 H100 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1945","0.0779","","","0.1398","0.163","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","216073","2020-10-21","18:00:00",""
"2021678","6.401","0.0013","21.35","0.004","18.19","0.004","90","","94.83","0.03","90","","2477","0.9","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","4-<i>tert</i>-Butyl-2,6-bis[3-(4-methylphenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C30 H30 O -","- C30 H30 O -","- C120 H120 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.21","0.1396","","","0.3023","0.3392","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","216074","2020-10-21","18:00:00",""
"2021679","9.5892","0.0019","10.145","0.002","30.08","0.006","90","","90","","90","","2926.3","1","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-(Furan-2-ylmethylene)-6-(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1374","0.0948","","","0.2136","0.2496","","","","","","1.011","","","","has coordinates,has Fobs","216075","2020-10-21","18:00:00",""
"2021680","9.2801","0.0014","9.5498","0.0014","9.6407","0.0014","84.218","0.003","70.882","0.003","66.632","0.003","740.63","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","6-(3-Butylprop-2-yn-1-ylidene)-2-(furan-2-ylmethylene)cyclohexanone","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0903","0.0577","","","0.1249","0.139","","","","","","1.033","","","","has coordinates,has Fobs","216076","2020-10-21","18:00:00",""
"2021681","7.1296","0.0002","6.9197","0.0003","30.0061","0.0011","90","","91.066","0.003","90","","1480.09","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido[(2-hydroxyethyl)({2-[(pyridin-2-ylmethylidene)amino]ethyl})azanium]copper(II) monohydrate","","- C10 H18 Cl3 Cu N3 O2 -","- C10 H18 Cl3 Cu N3 O2 -","- C40 H72 Cl12 Cu4 N12 O8 -","4","1","FN3313","Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian","Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008258","","","0.71073","MoKα","","0.0719","0.0677","","","0.1443","0.1459","","","","","","1.379","","","","has coordinates,has Fobs","216136","2020-10-21","18:00:00",""
"2021682","14.0924","0.0003","7.7111","0.0002","15.5819","0.0004","90","","90.317","0.003","90","","1693.23","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine}cadmium(II)","","- C16 H18 Cd Cl2 N4 O -","- C16 H18 Cd Cl2 N4 O -","- C64 H72 Cd4 Cl8 N16 O4 -","4","1","FN3313","Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian","Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008258","","","0.71073","MoKα","","0.032","0.0255","","","0.0511","0.0542","","","","","","1.04","","","","has coordinates,has Fobs","216136","2020-10-21","18:00:00",""
"2021683","16.535","0.0004","16.535","0.0004","18.1127","0.0004","90","","90","","90","","4952.1","0.2","296","2","296.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Tetrakis[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)formamidinato]digold(I)disilver(I)","","- C22 H18 Ag Au N8 -","- C22 H18 Ag Au N8 -","- C176 H144 Ag8 Au8 N64 -","8","1","QS3083","Hsu, Wayne","Luminescence properties and optimized structural conformations of the S~0~, S~1~ and T~1~ states of a tetranuclear formamidinate complex based on Au^I^ and Ag^I^ metal ions","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008581","","","0.71073","MoKα","","0.041","0.0324","","","0.0771","0.0802","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216511","2020-10-21","18:00:00",""
"2021684","11.502","0.007","20.059","0.013","13.735","0.009","90","","101.716","0.019","90","","3103","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[μ-4,4'-bis(2-methylimidazol-1-yl)diphenyl ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-4,4'-sulfonyldibenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C34 H26 N4 O7 S Zn -","- C34 H26 N4 O7 S Zn -","- C136 H104 N16 O28 S4 Zn4 -","4","1","SK3727","Pan, Chen-Dong; Wang, Jun; Xu, Ju-Qin; Zhang, Kang-Feng; Wang, Xiao-Wan","A threefold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and selective luminescence sensing properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008635","","","0.71073","MoKα","","0.0868","0.0474","","","0.087","0.0948","","","","","","1.028","","","","has coordinates","216512","2020-10-21","18:00:00",""
"2021685","9.506","0.002","22.483","0.004","10.684","0.004","90","","111.37","0.04","90","","2126.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-4,4'-bipyridine)(μ~3~-3,4'-oxydibenzoato)cobalt(II)]","","- C24 H16 Co N2 O5 -","- C24 H16 Co N2 O5 -","- C96 H64 Co4 N8 O20 -","4","1","LF3097","Lan, Wenlong; Zhou, Zhen; Jia, Fu-Chao; Hao, Xiaoyun; Dou, Yong; Yang, Lu; Liu, Hui; Liu, Qingyun; Zhang, Daopeng","A new three-dimensional cobalt(II) coordination polymer based on V-shaped 3,4'-oxydibenzoate: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008337","","","0.71073","MoKα","","0.1032","0.0576","","","0.1265","0.1615","","","","","","1.046","","","","has coordinates,has Fobs","216558","2020-10-21","18:00:00",""
"2021686","19.0555","0.0006","12.384","0.0005","17.8388","0.0007","90","","90","","90","","4209.7","0.3","193","2","193","","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2-Bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol","","- C24 H26 N4 O -","- C24 H26 N4 O -","- C192 H208 N32 O8 -","8","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0696","0.0452","","","0.0959","0.1139","","","","","","1.1","","","","has coordinates,has Fobs","216559","2020-10-21","18:00:00",""
"2021687","9.3157","0.0006","8.4063","0.0003","17.4678","0.001","90","","93.222","0.005","90","","1365.75","0.13","153","2","153","","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>cis</i>-[2,2-Bis(3,5-dimethylpyrazolyl)-1,1-diphenylethanolato]chloridodioxidotungsten(VI) tetrahydrofuran monosolvate","","- C28 H33 Cl N4 O4 W -","- C28 H33 Cl N4 O4 W -","- C56 H66 Cl2 N8 O8 W2 -","2","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0273","0.0238","","","0.0519","0.0545","","","","","","1.083","","","","has coordinates","216559","2020-10-21","18:00:00",""
"2021688","11.06","0.0006","17.1537","0.0009","11.7342","0.0005","90","","95.499","0.004","90","","2215.97","0.19","223","2","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~5~-benzene-1,3,5-tricarboxylato-κ^6^O^1^:O^1^':O^3^:O^3^:O^5^,O^5^'){μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}di-μ~3~-hydroxido-dicobalt(II)]","","- C21 H16 Co2 N6 O7 -","- C21 H16 Co2 N6 O7 -","- C84 H64 Co8 N24 O28 -","4","1","KY3169","Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long","Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900826X","","","0.71073","MoKα","","0.0714","0.0451","","","0.0928","0.1079","","","","","","1.074","","","","has coordinates","216595","2020-10-21","18:00:00",""
"2021689","10.9425","0.001","11.458","0.0009","11.6193","0.001","89.524","0.007","69.945","0.008","64.669","0.008","1220.4","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis{μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}tetra-μ~3~-hydroxido-tetracopper(II)] monohydrate]","","- C42 H38 Cu4 N12 O17 -","- C42 H38 Cu4 N12 O17 -","- C42 H38 Cu4 N12 O17 -","1","0.5","KY3169","Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long","Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900826X","","","0.71073","MoKα","","0.0782","0.0533","","","0.1306","0.15","","","","","","1.038","","","","has coordinates,has disorder","216595","2020-10-21","18:00:00",""
"2021690","24.1578","0.0003","16.1342","0.0003","24.0155","0.0004","90","","90.4848","0.0012","90","","9360.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[hexathiocyanatotetrakis{μ~3~-2,4,6-trimethyl-1,3,5-tris[(triazol-1-yl)methyl]benzene}tricadmium(II)] 3.5-hydrate]","","- C78 H91 Cd3 N42 O3.5 S6 -","- C78 H91 Cd3 N42 O3.5 S6 -","- C312 H364 Cd12 N168 O14 S24 -","4","0.5","FN3312","Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen","Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008714","","x-ray","1.54184","CuKα","","0.0491","0.0397","","","0.105","0.1138","","","","","","1.026","","","","has coordinates,has Fobs","216610","2020-10-21","18:00:00",""
"2021691","23.8845","0.0004","16.222","0.0003","23.6679","0.0004","90","","90.502","0.001","90","","9169.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[hexathiocyanatotetrakis{μ~3~-2,4,6-trimethyl-1,3,5-tris[(triazol-1-yl)methyl]benzene}trizinc(II)] 3.5-hydrate]","","- C156 H182 N84 O7 S12 Zn6 -","- C78 H91 N42 O3.5 S6 Zn3 -","- C312 H364 N168 O14 S24 Zn12 -","4","0.5","FN3312","Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen","Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008714","","x-ray","1.54178","CuKα","","0.0582","0.0532","","","0.1452","0.1516","","","","","","1.064","","","","has coordinates,has Fobs","216610","2020-10-21","18:00:00",""
"2021692","6.914","0.0003","10.0641","0.0005","10.1532","0.0005","102.153","0.004","100.951","0.004","99.745","0.004","661.77","0.06","300.7","0.14","300.7","0.14","","","","","","","","5","P -1","-P 1","2","","2-(4-Nitrobenzenesulfonamido)benzoic acid","","- C13 H10 N2 O6 S -","- C13 H10 N2 O6 S -","- C26 H20 N4 O12 S2 -","2","1","QS3085","Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina","Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid","Acta Crystallographica Section C","2019","75","7","1011","1020","10.1107/S2053229619008593","","","0.71073","MoKα","","0.0486","0.0408","","","0.107","0.116","","","","","","1.061","","","","has coordinates,has Fobs","216640","2020-10-21","18:00:00",""
"2021693","19.9216","0.0007","5.2391","0.0002","13.086","0.0004","90","","91.864","0.003","90","","1365.08","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Ag N2 O6 S -","- C13 H9 Ag N2 O6 S -","- C52 H36 Ag4 N8 O24 S4 -","4","1","QS3085","Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina","Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid","Acta Crystallographica Section C","2019","75","7","1011","1020","10.1107/S2053229619008593","","","0.71073","MoKα","","0.057","0.0371","","","0.0728","0.0818","","","","","","1.073","","","","has coordinates,has Fobs","216640","2020-10-21","18:00:00",""
"2021696","13.9295","0.0007","17.8065","0.0009","7.1429","0.0004","90","","90","","90","","1771.69","0.16","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.0325","0.0296","","","0.0776","0.0799","","","","","","1.001","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2021697","4.9552","0.0003","10.8444","0.0006","22.7982","0.0011","90","","90","","90","","1225.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Kynurenic acid dimethyl sulfoxide monosolvate","4-Hydroxyquinoline-2-carboxylic acid dimethyl sulfoxide monosolvate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.043","0.036","","","0.0808","0.0849","","","","","","1","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2021698","9.0313","0.0005","10.2649","0.0006","14.3901","0.001","90","","92.35","0.008","90","","1332.92","0.14","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Bis(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-triazine","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0517","0.0294","","","0.0598","0.0629","","","","","","0.79","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021699","19.7746","0.0009","6.7721","0.0003","25.0692","0.0008","90","","99.286","0.005","90","","3313.2","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]lead(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C34 H20 N10 O4 Pb S2 -","- C34 H20 N10 O4 Pb S2 -","- C136 H80 N40 O16 Pb4 S8 -","4","1","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0307","0.0229","","","0.0541","0.0553","","","","","","0.913","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021700","10.5123","0.0008","12.2682","0.0008","15.6379","0.001","66.834","0.005","80.26","0.006","67.514","0.005","1712.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^1^-bis{[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^](nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)}","","- C68 H40 N24 O14 Pb2 -","- C68 H40 N24 O14 Pb2 -","- C68 H40 N24 O14 Pb2 -","1","0.5","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0345","0.0259","","","0.0557","0.0573","","","","","","0.931","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021701","6.1381","0.0004","13.7467","0.0008","10.0349","0.0005","90","","95.813","0.005","90","","842.38","0.09","105.01","0.11","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0623","0.0387","","","0.0806","0.0843","","","","","","0.927","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021702","6.241","0.004","13.726","0.003","10.095","0.005","90","","90","","90","","864.8","0.7","285","","285","","","","","","","","","4","P m n b","-P 2bc 2a","62","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","0.5","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0621","0.0418","","","0.116","0.1292","","","","","","1.107","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021703","10.8485","0.0008","10.1717","0.0006","11.2851","0.0011","90","","104.812","0.009","90","","1203.9","0.17","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydroxonium hypoxanthinium dinitrate dihydrate","Oxidanium 6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium dinitrate dihydrate","","- C5 H12 N6 O10 -","- C5 H12 N6 O10 -","- C20 H48 N24 O40 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0714","0.0496","","","0.1174","0.1348","","","","","","1.07","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021704","10.9025","0.0004","10.1712","0.0003","11.3174","0.0004","90","","105.264","0.004","90","","1210.73","0.07","100","0.1","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydroxonium hypoxanthinium dinitrate dihydrate","Oxidanium 6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium dinitrate dihydrate","","- C5 H12 N6 O10 -","- C5 H12 N6 O10 -","- C20 H48 N24 O40 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","1.54184","CuKα","","0.049","0.0408","","","0.1076","0.1145","","","","","","1.078","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021705","6.1156","0.0018","13.754","0.002","10.0367","0.0019","90","0.014","96.52","0.02","90","0.017","838.8","0.3","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.1377","0.0938","","","0.2614","0.2923","","","","","","1.054","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021706","9.2402","0.0004","25.5312","0.0011","12.5727","0.0006","90","","103.173","0.002","90","","2888","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~2~-succinato-κ^2^<i>O</i>:<i>O</i>'){μ~2~-tris[4-(1,2,4-triazol-1-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'}copper(II)] dihydrate]","","- C28 H26 Cu N10 O6 -","- C28 H26 Cu N10 O6 -","- C112 H104 Cu4 N40 O24 -","4","1","SK3732","Qian, Lin-Lu; Wang, Zhi-Xiang; Tian, Hai-Xin; Li, Min; Li, Bao-Long; Li, Hai-Yan","Synthesis, structure and photocatalytic degradation of organic dyes of a copper(II) metal‒organic framework (Cu‒MOF) with a 4-coordinated three-dimensional CdSO~4~ topology","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009306","","","0.71073","MoKα","","0.0486","0.0353","","","0.0856","0.0916","","","","","","1.033","","","","has coordinates,has Fobs","216790","2020-10-21","18:00:00",""
"2021707","7.0872","0.0007","8.4024","0.0009","17.4973","0.0017","90","","93.608","0.003","90","","1039.89","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-1-amino-5-carboxybenzene-3,4-dicarboxylato)diaquacadmium(II)]","","- C9 H9 Cd N O8 -","- C9 H9 Cd N O8 -","- C36 H36 Cd4 N4 O32 -","4","1","CU3148","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009227","","","0.71073","MoKα","","0.0185","0.0166","","","0.0462","0.0472","","","","","","1.083","","","","has coordinates,has Fobs","216791","2020-10-21","18:00:00",""
"2021708","7.248","0.0003","9.3135","0.0003","17.2244","0.0006","102.62","0.001","95.86","0.001","99.15","0.001","1108.83","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~5~-1-aminobenzene-3,4,5-tricarboxylato)triaquatrizinc(II)] dihydrate]","","- C18 H18 N2 O17 Zn3 -","- C18 H18 N2 O17 Zn3 -","- C36 H36 N4 O34 Zn6 -","2","1","CU3148","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009227","","","0.71073","MoKα","","0.0351","0.0281","","","0.0721","0.0752","","","","","","1.021","","","","has coordinates,has Fobs","216791","2020-10-21","18:00:00",""
"2021709","16.4855","0.0004","9.2994","0.0003","19.0422","0.0005","90","","113.403","0.001","90","","2679.11","0.13","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide","","- C33 H27 N O2 S -","- C33 H27 N O2 S -","- C132 H108 N4 O8 S4 -","4","1","FN3314","Jia, Lei; Zhang, Jun; Du, Lin","A novel tetraphenylethylene derivative: 4-methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009525","","","0.71073","MoKα","","0.0925","0.0512","","","0.0969","0.1173","","","","","","1.071","","","","has coordinates,has Fobs","216792","2020-10-21","18:00:00",""
"2021710","12.413","0.005","13.394","0.005","16.368","0.005","87.899","0.005","79.578","0.005","66.635","0.005","2455.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)aluminium(III) nitrate ethanol monosolvate","","- C24 H28 Al N3 O10 -","- C24 H28 Al N3 O10 -","- C96 H112 Al4 N12 O40 -","4","2","QF3029","Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon","Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008805","","","0.71069","MoKα","","0.1089","0.0562","","","0.1316","0.1627","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","216793","2020-10-21","18:00:00",""
"2021711","12.399","0.005","13.58","0.005","16.419","0.005","86.818","0.005","78.871","0.005","66.124","0.005","2479.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)gallium(III) nitrate ethanol monosolvate","","- C24 H28 Ga N3 O10 -","- C24 H28 Ga N3 O10 -","- C96 H112 Ga4 N12 O40 -","4","2","QF3029","Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon","Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008805","","","0.71073","MoKα","","0.0517","0.0442","","","0.1075","0.1136","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","216793","2020-10-21","18:00:00",""
"2021712","15.051","0.007","5.295","0.002","26.548","0.011","90","","97.372","0.007","90","","2098.3","1.5","205","","205","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[4-(Cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H23 F3 N4 O3 S -","- C20 H23 F3 N4 O3 S -","- C80 H92 F12 N16 O12 S4 -","4","1","YO3065","Zhang, Gang; Aldrich, Courtney C.","Macozinone: revised synthesis and crystal structure of a promising new drug for treating drug-sensitive and drug-resistant tuberculosis","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009185","","","0.71073","MoKα","","0.075","0.0473","","","0.1064","0.1218","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216794","2020-10-21","18:00:00",""
"2021713","6.8216","0.0001","8.1815","0.0001","8.8083","0.0001","95.146","0.008","106.652","0.008","108.317","0.007","438.3","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[triaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)barium] monohydrate]","","- C4 H8 Ba O8 -","- C4 H8 Ba O8 -","- C8 H16 Ba2 O16 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0309","0.0249","","","0.0466","0.0486","","","","","","1.136","","","","has coordinates,has Fobs","216917","2020-10-21","18:00:00",""
"2021714","6.0313","0.0002","7.7677","0.0003","8.6375","0.0003","101.27","0.002","94.952","0.002","111.578","0.002","363.45","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[diaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)strontium] monohydrate]","","- C4 H6 O7 Sr -","- C4 H6 O7 Sr -","- C8 H12 O14 Sr2 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0215","0.0181","","","0.0424","0.0433","","","","","","1.069","","","","has coordinates,has Fobs","216917","2020-10-21","18:00:00",""
"2021715","6.8271","0.0007","8.1878","0.0009","8.8227","0.0009","95.18","0.04","106.64","0.05","108.33","0.04","439.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[triaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)barium/strontium(0.85/0.15)] monohydrate]","","- C4 H8 Ba0.85 O8 Sr0.15 -","- C4 H8 Ba0.85 O8 Sr0.15 -","- C8 H16 Ba1.7 O16 Sr0.3 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0243","0.0227","","","0.0584","0.0595","","","","","","1.132","","","","has coordinates,has disorder,has Fobs","216917","2020-10-21","18:00:00",""
"2021716","15.146","0.003","12.2411","0.0011","17.6555","0.0016","90","","99.104","0.002","90","","3232.2","0.8","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[[aquacadmium(II)]-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H26 Cd Cl2 N12 O15 -","- C28 H26 Cd Cl2 N12 O15 -","- C112 H104 Cd4 Cl8 N48 O60 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0638","","","","","","1.109","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021717","15.2909","0.0003","14.2702","0.0003","15.4064","0.0004","90","","92.174","0.002","90","","3359.32","0.13","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[lead(II)-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H24 Cl2 N12 O14 Pb -","- C28 H24 Cl2 N12 O14 Pb -","- C112 H96 Cl8 N48 O56 Pb4 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.03","0.0259","","","0.0683","0.0705","","","","","","1.056","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021718","22.1247","0.0017","8.7081","0.0008","18.2738","0.0015","90","","90","","90","","3520.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Lesinurad","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid","","- C17 H14 Br N3 O2 S -","- C17 H14 Br N3 O2 S -","- C136 H112 Br8 N24 O16 S8 -","8","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.9246","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021719","9.0092","0.001","9.2165","0.001","11.6947","0.0013","80.899","0.006","79.931","0.006","88.024","0.006","944.03","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lesinurad methanol monosolvate","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid methanol monosolvate","","- C18 H18 Br N3 O3 S -","- C18 H18 Br N3 O3 S -","- C36 H36 Br2 N6 O6 S2 -","2","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.0806","0.0519","","","0.1134","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021720","13.292","0.006","7.366","0.003","20.193","0.009","90","","92.857","0.006","90","","1974.6","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lesinurad ethanol monosolvate","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid ethanol monosolvate","","- C19 H20 Br N3 O3 S -","- C19 H20 Br N3 O3 S -","- C76 H80 Br4 N12 O12 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.1095","0.0684","","","0.1623","0.1926","","","","","","1.202","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021721","15.1245","0.0008","6.6975","0.0003","25.826","0.0013","90","","101.045","0.002","90","","2567.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒caffeine (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid‒3,7-dihydro-1,3,7-trimethyl-1<i>H</i>-purine-2,6-dione (1/1)","","- C25 H24 Br N7 O4 S -","- C25 H24 Br N7 O4 S -","- C100 H96 Br4 N28 O16 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.0329","0.0256","","","0.0606","0.0639","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","216919","2020-10-21","18:00:00",""
"2021722","14.0851","0.0014","6.9721","0.0007","23.1952","0.0019","90","","95.476","0.015","90","","2267.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒nicotinamide (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetic acid‒nicotinamide (1/1)","","- C23 H20 Br N5 O3 S -","- C23 H20 Br N5 O3 S -","- C92 H80 Br4 N20 O12 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.3809","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021723","10.8067","0.0012","12.1242","0.0012","7.5869","0.0007","97.387","0.017","92.495","0.013","95.23","0.015","980.16","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lesinurad‒urea (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetic acid‒urea (1/1)","","- C18 H18 Br N5 O3 S -","- C18 H18 Br N5 O3 S -","- C36 H36 Br2 N10 O6 S2 -","2","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.5179","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021724","10.9993","0.0005","15.229","0.0005","24.0797","0.001","90","","103.193","0.004","90","","3927.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒urea (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid‒urea (1/1)","","- C18 H18 Br N5 O3 S -","- C18 H18 Br N5 O3 S -","- C144 H144 Br8 N40 O24 S8 -","8","2","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","x-ray","0.71073","MoKα","","0.1135","0.0645","","","0.1086","0.1317","","","","","","1.0493","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021725","10.4597","0.0009","12.798","0.0006","15.0545","0.0009","90","","98.709","0.005","90","","1992","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){μ~2~-1,3-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)]","","- C44 H34 Co2 N8 O8 -","- C44 H34 Co2 N8 O8 -","- C88 H68 Co4 N16 O16 -","2","1","YF3180","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun","Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009136","","","0.71073","MoKα","","0.1324","0.0681","","","0.1527","0.1831","","","","","","1.003","","","","has coordinates,has Fobs","216920","2020-10-21","18:00:00",""
"2021726","21.263","0.004","12.366","0.002","19.608","0.004","90","","120.91","0.03","90","","4423","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aqua(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)] dihydrate]","","- C44 H46 Co2 N2 O14 -","- C44 H42 Co2 N8 O12 -","- C176 H168 Co8 N32 O48 -","4","0.5","YF3180","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun","Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009136","","","0.71073","MoKα","","0.0456","0.042","","","0.1161","0.1187","","","","","","1.033","","","","has coordinates,has Fobs","216920","2020-10-21","18:00:00",""
"2021727","8.1442","0.0004","9.2736","0.0005","17.1777","0.001","76.525","0.005","80.08","0.004","76.808","0.004","1218.6","0.12","100","0.19","100","0.19","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>,<i>N</i>'-bis(2-sulfonatoethyl)-1,4,5,8-naphthalene diimide] di-μ-hydroxido-bis[tetraaquaaluminium(III)] tetrahydrate","","- C36 H50 Al2 N4 O34 S4 -","- C36 H50 Al2 N4 O34 S4 -","- C36 H50 Al2 N4 O34 S4 -","1","0.5","QP3031","Ke, Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Structural characterization and photochromic behaviour of a novel compound based on a π-acidic naphthalene diimide derivative and a double hydroxide-bridged dinuclear Al^III^ aqua ion cluster","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009872","","x-ray","1.54184","CuKα","","0.0711","0.0516","","","0.1315","0.1473","","","","","","1.048","","","","has coordinates,has Fobs","217004","2020-10-21","18:00:00",""
"2021728","10.4471","0.0004","10.9855","0.0005","11.6347","0.0005","83.241","0.001","70.219","0.001","79.242","0.001","1232.25","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)] 1.66-hydrate]","","- C22 H25.32 Cd N2 O13.66 -","- C22 H25.32 Cd N2 O13.66 -","- C44 H50.64 Cd2 N4 O27.32 -","2","1","SK3734","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010192","","","0.71073","MoKα","","0.0338","0.0278","","","0.0655","0.0679","","","","","","1.051","","","","has coordinates,has Fobs","217273","2020-10-21","18:00:00",""
"2021729","4.6802","0.0007","15.507","0.002","12.8345","0.0017","90","","93.757","0.005","90","","929.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~6~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)}cadmium(II)]","","- C22 H14 Cd N2 O8 -","- C22 H14 Cd N2 O8 -","- C44 H28 Cd2 N4 O16 -","2","0.5","SK3734","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010192","","","0.71073","MoKα","","0.06","0.0398","","","0.0999","0.108","","","","","","1.066","","","","has coordinates,has Fobs","217273","2020-10-21","18:00:00",""
"2021730","10.7545","0.0003","6.47168","0.00018","30.0313","0.0009","90","","96.456","0.003","90","","2076.91","0.1","294.76","0.1","294.76","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Carbamazepine‒3,5-dinitrobenzoic acid (1/1)","5<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒3,5-dinitrobenzoic acid (1/1)","","- C22 H16 N4 O7 -","- C22 H16 N4 O7 -","- C88 H64 N16 O28 -","4","1","YF3179","Pawledzio, Sylwia; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure and energetic features of the cocrystal of carbamazepine with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009896","","x-ray","0.71073","MoKα","","0.0502","0.0414","","","0.1061","0.1119","","","","","","1.035","","","","has coordinates,has Fobs","217274","2020-10-21","18:00:00",""
"2021731","7.3336","0.0006","7.9301","0.0007","12.578","0.0012","107.14","0.008","104.982","0.007","94.285","0.007","666.16","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-Fluorobenzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C18 H15 F O2 -","- C18 H15 F O2 -","- C36 H30 F2 O4 -","2","1","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0498","0.0423","","","0.0987","0.1049","","","","","","1.072","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021732","17.1415","0.0007","11.7917","0.0004","17.3364","0.0007","90","","101.165","0.004","90","","3437.8","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(2-fluorophenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-3-ium chloride","","- C19 H19 Cl F N3 O -","- C19 H19 Cl F N3 O -","- C152 H152 Cl8 F8 N24 O8 -","8","2","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0563","0.0427","","","0.094","0.1019","","","","","","1.043","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021733","8.7725","0.0009","11.9161","0.001","17.1473","0.0015","90","","102.626","0.01","90","","1749.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-fluorophenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-3-ium chloride","","- C19 H19 Cl F N3 O -","- C19 H19 Cl F N3 O -","- C76 H76 Cl4 F4 N12 O4 -","4","1","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0634","0.0515","","","0.1175","0.1256","","","","","","1.073","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021734","12.6321","0.0017","13.9512","0.0019","14.792","0.002","90","","113.077","0.002","90","","2398.2","0.6","240","2","240","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","[[<i>D</i>-βVal^3,7^]Ascidiacyclamide(2-)]aqua-μ-carbonato-dicopper(II) monohydrate","","- C39 H58 Cu2 N8 O11 S2 -","- C39 H58 Cu2 N8 O11 S2 -","- C78 H116 Cu4 N16 O22 S4 -","2","1","CU3139","Asano, Akiko; Doi, Mitsinobu","A bis-copper(II)‒[<small>D</small>-βVal^3,7^]ascidiacyclamide complex enveloping two square pyramids and sharing an apex atom from a carbonate anion","Acta Crystallographica Section C","2019","75","8","1182","1187","10.1107/S2053229619007952","","","0.71073","MoKα","","0.1251","0.1145","","","0.2753","0.2832","","","","","","1.043","","","","has coordinates,has Fobs","217305","2020-10-21","18:00:00",""
"2021735","16.9417","0.0003","7.45114","0.00013","23.0287","0.0004","90","","104.983","0.0018","90","","2808.2","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{5-[4-(Dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C128 H120 N24 -","8","2","JX3037","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives","Acta Crystallographica Section C","2019","75","8","1175","1181","10.1107/S2053229619010398","","","1.54184","CuKα","","0.0436","0.038","","","0.1015","0.1079","","","","","","1.046","","","","has coordinates,has Fobs","217306","2020-10-21","18:00:00",""
"2021736","13.6175","0.0016","11.6514","0.0014","19.723","0.002","90","","104.121","0.002","90","","3034.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{(2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-[4-(Dimethylamino)phenyl]hepta-2,4,6-trien-1-ylidene}malononitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C144 H136 N24 -","8","2","JX3037","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives","Acta Crystallographica Section C","2019","75","8","1175","1181","10.1107/S2053229619010398","","","0.71073","MoKα","","0.059","0.0448","","","0.1205","0.132","","","","","","1.043","","","","has coordinates,has Fobs","217306","2020-10-21","18:00:00",""
"2021737","8.8434","0.0004","15.1918","0.0006","43.0639","0.0017","90","","90","","90","","5785.5","0.4","120","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,6-Penta-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose","","- C16 H22 O11 -","- C16 H22 O11 -","- C192 H264 O132 -","12","3","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0445","0.042","","","0.1071","0.1095","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021738","9.1043","0.0002","21.477","0.0005","13.8106","0.0003","90","","91.8362","0.0008","90","","2699.04","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow2)-\ 3,4,6-tri-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow3)-\ 1,2,4,6-tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose","","- C40 H54 O27 -","- C40 H54 O27 -","- C80 H108 O54 -","2","1","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0337","0.0336","","","0.0942","0.0944","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021739","9.2613","0.0019","10.882","0.002","23.583","0.005","90","","95.54","0.03","90","","2365.6","0.8","90","0.3","90","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrotetrazole 5","1,2-Di-<i>tert</i>-butyl 3-phenyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,10b<i>H</i>-[1,2,3,4]tetrazolo[5,1-<i>a</i>]isoquinoline-1,2-dicarboxylate","","- C25 H30 N4 O4 -","- C25 H30 N4 O4 -","- C100 H120 N16 O16 -","4","1","UK3181","Breton, Gary W.; Hahn, Lauren A.; Martin, Kenneth L.","Structural verification of a tetrahydrotetrazole compound","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010210","","x-ray","0.71073","MoKα","","0.057","0.0419","","","0.1098","0.1159","","","","","","1.035","","","","has coordinates,has Fobs","217427","2020-10-21","18:00:00",""
"2021740","15.9687","0.0003","18.7065","0.0004","15.8249","0.0004","90","","106.077","0.0012","90","","4542.31","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aquatris(μ~3~-4,4-diphenyl-2,5-dioxoimidazolidin-1-ido)trimethanoltrisodium(I)]","","- C16 H15.72 N2 Na O3.36 -","- C16.0002 H15.7211 N2 Na1.0002 O3.36037 -","- C192.002 H188.654 N24 Na12.0024 O40.3244 -","12","3","SK3736","Shah, Harsh S.; Chaturvedi, Kaushalendra; Zeller, Matthias; Bates, Simon; Morris, Kenneth","A threefold superstructure of the anti-epileptic drug phenytoin sodium as a mixed methanol solvate hydrate","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010696","","","1.54178","CuKα","","0.0655","0.0514","","","0.1462","0.1577","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:53",""
"2021741","15.5757","0.0018","13.7204","0.0016","9.5959","0.0011","90","","92.513","0.002","90","","2048.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Li O14 P3 Sb2 -","- Ba Li O14 P3 Sb2 -","- Ba8 Li8 O112 P24 Sb16 -","8","1","YO3066","Zhang, Shi-Rui; Zhao, Dan; Zhang, Rui-Juan; Shi, Lin-Ying; Dai, Shao-Jie; Fan, Yun-Chang","A novel stibium phosphate, LiBa(SbO)~2~(PO~4~)~3~: synthesis, crystal structure and RE^3+^-activated (RE = Tb^3+^ and Eu^3+^) fluorescence performance","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010155","","","0.71073","MoKα","","0.0566","0.0399","","","0.089","0.098","","","","","","1.025","","","","has coordinates,has Fobs","217477","2020-10-21","18:00:00",""
"2021742","18.1367","0.0012","18.1367","0.0012","8.7103","0.0009","90","","90","","90","","2865.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","<i>catena</i>-Poly[zinc(II)-bis[μ~2~-5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ^2^<i>N</i>^3^:<i>S</i>]]","","- C6 H6 N4 S6 Zn -","- C6 H6 N4 S6 Zn -","- C48 H48 N32 S48 Zn8 -","8","1","JX3043","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Xie, Fazhi; Yuan, Shizhen; Song, Xiaojie; Lu, Zhansheng; Xuan, Xiaopeng","A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010945","","","0.71073","MoKα","","0.0399","0.0302","","","0.0597","0.0638","","","","","","1.043","","","","has coordinates,has Fobs","217478","2020-10-21","18:00:00",""
"2021743","7.9854","0.0016","28.569","0.006","8.8257","0.0018","90","","91.61","0.03","90","","2012.7","0.7","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(Dimethylamino)(iminiumyl)methyl]guanidine (butylcarbamoyl)[(4-methylbenzene)sulfonyl]azanide","","- C16 H29 N7 O3 S -","- C16 H29 N7 O3 S -","- C64 H116 N28 O12 S4 -","4","1","KU3246","Jia, Lina; Wu, Songgu; Gong, Junbo","A tolbutamide‒metformin salt based on antidiabetic drug combinations: synthesis, crystal structure analysis and pharmaceutical properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010647","","","0.71073","MoKα","","0.0709","0.0579","","","0.1491","0.1581","","","","","","1.057","","","","has coordinates,has Fobs","217539","2020-10-21","18:00:00",""
"2021744","19.1399","0.0005","19.1399","0.0005","26.7399","0.0009","90","","90","","120","","8483.4","0.4","153","1","153","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1069","0.0524","","","0.1364","0.1673","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021745","19.3309","0.0008","19.3309","0.0008","26.8542","0.0011","90","","90","","120","","8690.5","0.6","295","1","295","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1619","0.0628","","","0.1803","0.2415","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021746","10.673","0.0005","10.0539","0.0004","15.0271","0.0007","90","","96.095","0.001","90","","1603.37","0.12","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","(<i>E</i>)-4-({3,5-Di-<i>tert</i>-butyl-2-[(diphenylboranyl)oxy]\ benzylidene}amino)-<i>N</i>-phenylaniline","{2-[(4-Anilinophenyl)iminomethyl-κ<i>N</i>]-4,6-di-<i>tert</i>-\ butylphenolato-κ<i>O</i>}diphenylboron","","- C39 H41 B N2 O -","- C39 H41 B N2 O -","- C78 H82 B2 N4 O2 -","2","1","JX3038","Wang, Shengpei; Yu, Shasha; Feng, Jianxiang; Liu, Shenggao","A highly efficient antioxidant based on boron and a Schiff base bridged phenolic diphenylamine: synthesis, crystal structure and thermal and antioxidant properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011331","","","0.71073","MoKα","","0.0517","0.043","","","0.1021","0.1095","","","","","","1.031","","","","has coordinates,has Fobs","217574","2020-10-21","18:00:00",""
"2021747","12.947","0.003","13.889","0.003","16.289","0.0011","77.482","0.003","73.859","0.003","85.101","0.002","2745.8","0.9","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(dimethylformamide)(μ~6~-4,4',4''-{[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(oxy)}tribenzoato)lanthanum(III)] dimethylformamide tetrasolvate 0.25-hydrate]","","- C51 H69.5 La N6 O15.25 -","- C51 H69.5 La N6 O15.25 -","- C102 H139 La2 N12 O30.5 -","2","1","YP3192","Zhou, Lian; Shi, Pei-Dong; Guo, Xiao-Kun; Feng, Xiu-Cun; Wang, Lin-Lin; Zhang, Jun","A new lanthanum coordination polymer built from a semi-rigid tripodal carboxylic acid ligand: synthesis, crystal structure and properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011240","","x-ray","0.71073","MoKα","","0.0698","0.0599","","","0.145","0.147","","","","","","1.014","","","","has coordinates,has Fobs","217608","2020-10-21","18:00:00",""
"2021748","11.1726","0.0008","17.3565","0.0012","18.1282","0.0012","106.232","0.002","94.712","0.002","100.804","0.002","3281.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","\ Poly[[pentaaquabis[μ~3~-5-(4-carboxybenzyloxy)isophthalato]bis[μ~6~-5-(4-\ carboxylatobenzyloxy)isophthalato]di-μ~3~-hydroxido-hexazinc(II)] trihydrate]","","- C64 H56 O38 Zn6 -","- C64 H56 O38 Zn6 -","- C128 H112 O76 Zn12 -","2","1","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0371","0.0335","","","0.0888","0.0917","","","","","","1.026","","","","has coordinates,has Fobs","217609","2020-10-21","18:00:00",""
"2021749","10.1554","0.0005","11.4754","0.0006","12.0367","0.0006","78.223","0.0019","73.5756","0.0017","82.7987","0.0019","1313.74","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)zinc(II)]\-m~2~-5-(4-carboxybenzyloxy)isophthalato] dihydrate]","","- C28 H24 N2 O10 Zn -","- C28 H24 N2 O10 Zn -","- C56 H48 N4 O20 Zn2 -","2","1","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0905","0.0508","","","0.124","0.1419","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","217609","2020-10-21","18:00:00",""
"2021750","10.7681","0.0004","11.4698","0.0005","14.7034","0.0006","99.5851","0.0012","99.7806","0.0012","100.146","0.0011","1725.11","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquatetrakis(4,4'-bipyridine)bis[μ~6~-5-(4-carboxylatobenzyloxy)isophthalato]di-μ~3~-formato-di-μ~3~-hydroxido-pentazinc(II)]","","- C74 H58 N8 O22 Zn5 -","- C74 H58 N8 O22 Zn5 -","- C74 H58 N8 O22 Zn5 -","1","0.5","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0377","0.0293","","","0.0651","0.0688","","","","","","1.054","","","","has coordinates,has Fobs","217609","2020-10-21","18:00:00",""
"2021751","6.77971","0.00009","10.82624","0.00017","11.36217","0.00017","107.326","0.0012","92.9637","0.0012","104.772","0.0012","762.42","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Wang, Ruimin; George, Janine; Potts, Shannon Kimberly; Kremer, Marius; Dronskowski, Richard; Englert, Ulli","The many flavours of halogen bonds ‒ message from experimental electron density and Raman spectroscopy","Acta Crystallographica Section C Structural Chemistry","2019","75","9","","","10.1107/S205322961901132X","","","0.71073","MoKα","","0.027","0.016","","","","0.022","","","","","","0.994","","","","has coordinates","217668","2020-10-21","18:00:00",""
"2021752","8.6303","0.0006","10.4227","0.0007","11.3529","0.0005","74.989","0.005","82.851","0.004","75.116","0.006","951.43","0.11","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","4'-[4-(Pyrazin-2-yl)phenyl]-4,2':6',4''-terpyridine","","- C25 H17 N5 -","- C25 H17 N5 -","- C50 H34 N10 -","2","1","FN3323","Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011161","","x-ray","0.71073","MoKα","","0.1001","0.0546","","","0.1229","0.1533","","","","","","1.025","","","","has coordinates,has Fobs","217669","2020-10-21","18:00:00",""
"2021753","10.8329","0.0011","11.2168","0.0016","14.259","0.003","65.938","0.011","88.829","0.012","76.828","0.01","1535.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-4'-[4-(pyrazin-2-yl-κ<i>N</i>^4^)phenyl]-4,2':6',4''-terpyridine-κ<i>N</i>^1^]","","- C35 H31 N5 O4 Zn -","- C35 H31 N5 O4 Zn -","- C70 H62 N10 O8 Zn2 -","2","1","FN3323","Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011161","","x-ray","0.71073","MoKα","","0.0977","0.0552","","","0.0989","0.1238","","","","","","1.057","","","","has coordinates,has Fobs","217669","2020-10-21","18:00:00",""
"2021754","5.0481","0.0004","18.633","0.002","6.7533","0.0006","90","","109.517","0.007","90","","598.73","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","","- C8 H8 Co N2 O6 S2 -","- C8 H8 Co N2 O6 S2 -","- C16 H16 Co2 N4 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0263","0.0215","","","0.0529","0.0537","","","","","","0.965","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021755","5.071","0.0009","18.239","0.003","6.8383","0.0017","90","","109.78","0.016","90","","595.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C8 H8 N2 Ni O6 S2 -","- C8 H8 N2 Ni O6 S2 -","- C16 H16 N4 Ni2 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0276","0.0223","","","0.0562","0.0571","","","","","","0.949","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021756","5.0198","0.0005","19.052","0.002","6.8982","0.0007","90","","109.281","0.007","90","","622.72","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cadmium(II)","","- C8 H8 Cd N2 O6 S2 -","- C8 H8 Cd N2 O6 S2 -","- C16 H16 Cd2 N4 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0225","0.0191","","","0.0462","0.0469","","","","","","0.998","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021757","5.1145","0.0007","10.6123","0.0012","10.4179","0.0013","90","","97.858","0.01","90","","560.14","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1<i>H</i>-imidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C16 H20 Co2 N8 O12 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0403","0.0234","","","0.0459","0.0478","","","","","","0.835","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021758","5.1664","0.0007","10.9879","0.0015","9.755","0.0011","90","","99.378","0.01","90","","546.37","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1,3-oxazole-4-carboxylato-κ^2^<i>N</i>,<i>O</i>^4^)cobalt(II)","","- C8 H8 Co N2 O8 -","- C8 H8 Co N2 O8 -","- C16 H16 Co2 N4 O16 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0401","0.0247","","","0.0502","0.0522","","","","","","0.908","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021759","12.28767","0.00011","13.972","0.00018","3.93043","0.00004","90","","90","","90","","674.789","0.013","293","2","293","2","","","","","","","synthesis","3","P b a 2","P 2 -2ab","32","divanillin","6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbaldehyde","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","0.5","SK3715","Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun","Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin","Acta Crystallographica, Section C","2018","74","12","1768","1773","10.1107/S2053229618016200","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","","2.3","","","","","","","has coordinates","217822","2020-10-21","18:00:00",""
"2021761","7.7222","0.0003","11.5401","0.0005","20.416","0.0008","90","","95.965","0.004","90","","1809.52","0.13","295.54","0.1","295.54","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-{3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole","","- C22 H15 N5 O2 -","- C22 H15 N5 O2 -","- C88 H60 N20 O8 -","4","1","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.1003","0.0824","","","0.2132","0.2385","","","","","","1.068","","","","has coordinates,has Fobs","218064","2020-10-21","18:00:00",""
"2021762","20.37","0.0006","15.0076","0.0003","19.5451","0.0005","90","","90.133","0.003","90","","5975","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(μ~3~-5-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole)tetra-μ~3~-trifluoroacetato-disilver(I) dichloromethane monosolvate","","- C53 H32 Ag4 Cl2 F12 N10 O12 -","- C53 H32 Ag4 Cl2 F12 N10 O12 -","- C212 H128 Ag16 Cl8 F48 N40 O48 -","4","0.5","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.0683","0.0501","","","0.1424","0.1666","","","","","","1.104","","","","has coordinates,has Fobs","218064","2020-10-21","18:00:00",""
"2021763","7.4159","0.0012","9.5352","0.0018","11.158","0.002","78.97","0.016","82.579","0.014","72.591","0.016","736.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[di-μ-trifluoroacetato-disilver(I)]-bis[μ-2,5-\ bis(pyridin-3-yl)-1,3,4-oxadiazole]]","","- C28 H16 Ag2 F6 N8 O6 -","- C28 H16 Ag2 F6 N8 O6 -","- C28 H16 Ag2 F6 N8 O6 -","1","0.5","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.0632","0.0613","","","0.169","0.1735","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","218064","2020-10-21","18:00:00",""
"2021764","14.4354","0.0001","14.4617","0.0001","28.6558","0.0002","93.284","0.001","101.441","0.001","113.33","0.001","5322.26","0.08","103","2","103","2","","","","","","","synthesis","4","P 1","P 1","1","","[Leu^2^]Gramicidin S","","- C65.89 H107.18 N10 O12.7 -","- C65.89 H107.18 N10 O12.6997 -","- C197.67 H321.539 N30 O38.099 -","3","3","JX3048","Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu","[Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011872","","","1.54184","CuKα","","0.0351","0.0345","","","0.0907","0.0913","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","218065","2020-10-21","18:00:00",""
"2021765","28.319","0.013","11.655","0.005","23.593","0.01","90","","97.421","0.005","90","","7722","6","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(2,6-Bis{[(triphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II) dichlorometahne hemisolvate","","- C44.5 H38 Br Cl N2 Ni P2 -","- C44.5 H38 Br Cl N2 Ni P2 -","- C356 H304 Br8 Cl8 N16 Ni8 P16 -","8","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0836","0.0529","","","0.0964","0.1114","","","","","","1.07","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021766","10.1057","0.0007","13.8342","0.001","15.3868","0.0011","74.892","0.006","85.365","0.006","89.151","0.006","2070","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,6-Bis{[(cyclohexyldiphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II) butanol hemisolvate","","- C46 H54 Br N2 Ni O0.5 P2 -","- C46 H54 Br N2 Ni O0.5 P2 -","- C92 H108 Br2 N4 Ni2 O P4 -","2","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0989","0.054","","","0.1043","0.131","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","225385","2020-10-21","18:00:00",""
"2021767","21.9686","0.0012","10.4728","0.0005","17.5599","0.0009","90","","93.74","0.005","90","","4031.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{[(dicyclohexylphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II)","","- C44 H61 Br N2 Ni P2 -","- C44 H61 Br N2 Ni P2 -","- C176 H244 Br4 N8 Ni4 P8 -","4","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0931","0.0554","","","0.1368","0.162","","","","","","1.048","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021768","17.569","0.009","11.612","0.006","20.608","0.01","90","","91.521","0.005","90","","4203","4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{[(tricyclohexyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II)","","- C44 H73 Br N2 Ni P2 -","- C44 H73 Br N2 Ni P2 -","- C176 H292 Br4 N8 Ni4 P8 -","4","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.1077","0.0607","","","0.117","0.144","","","","","","1.055","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021769","18.8929","0.0004","12.8744","0.0002","8.4047","0.0002","90","","110.904","0.002","90","","1909.76","0.07","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ethanol-κ<i>O</i>)bis(nitrato-κ<i>O</i>)[5-phenyl-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]copper(II)","","- C16 H16 Cu N6 O7 -","- C16 H16 Cu N6 O7 -","- C64 H64 Cu4 N24 O28 -","4","1","LF3098","Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald","Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011719","","","1.54186","CuKα","","0.0278","0.0275","","","0.0776","0.0778","","","","","","1.12","","","","has coordinates,has Fobs","218079","2020-10-21","18:00:00",""
"2021770","6.1435","0.0001","16.2987","0.0004","13.9126","0.0003","90","","102.414","0.002","90","","1360.51","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine]-κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>N</i>^3^;<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^1^-bis[(nitrato-κ<i>O</i>)silver(I)]","","- C14 H10 Ag N5 O3 -","- C14 H10 Ag N5 O3 -","- C56 H40 Ag4 N20 O12 -","4","1","LF3098","Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald","Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011719","","","1.54186","CuKα","","0.027","0.0241","","","0.0605","0.0614","","","","","","1.085","","","","has coordinates,has Fobs","218079","2020-10-21","18:00:00",""
"2021772","12.251","0.005","7.457","0.003","20.863","0.006","90","","90","","90","","1906","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyphenyl)-6-methyl-1<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","YP3193","Fusco, Sandra; Capasso, Domenica; Centore, Roberto; Di Gaetano, Sonia; Parisi, Emmanuele","A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole and selective antiproliferative activity of three isomeric triazolo‒triazoles","Acta Crystallographica Section C","2019","75","10","1398","1404","10.1107/S2053229619012403","","x-ray","0.71073","MoKα","","0.1076","0.0557","","","0.1014","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","225384","2020-10-21","18:00:00",""
"2021773","10.5273","0.0002","10.3266","0.0003","21.1193","0.0005","90","","92.647","0.002","90","","2293.46","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>O</i>,<i>O</i>'-Dimethyl [(2,3,4,5,6-pentafluorophenylhydrazinyl]phosphonate","","- C8 H8 F5 N2 O3 P -","- C8 H8 F5 N2 O3 P -","- C64 H64 F40 N16 O24 P8 -","8","2","QS3086","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Kaur, Manpreet; Jasinski, Jerry P.","The synergistic co-operation of N—H···O=P hydrogen bonds and C—H···O<i>X</i> weak intermolecular interactions (<i>X</i> is =P or —C) in the (CH~3~O)~2~P(O)(NH‒NHC~6~F~5~) amidophosphoester: a combined X-ray crystallographic and theoretical study","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011641","","x-ray","0.71073","MoKα","","0.0644","0.0438","","","0.1036","0.1166","","","","","","1.02","","","","has coordinates,has Fobs","218866","2020-10-21","18:00:00",""
"2021774","9.7167","0.001","16.1179","0.0017","13.9936","0.0016","90","","91.395","0.004","90","","2190.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^4^-(2-Aminophenyl)-6-methoxy-5-nitrosopyrimidine-2,4-diamine","","- C25 H22 N6 O -","- C25 H22 N6 O -","- C100 H88 N24 O4 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0719","0.0493","","","0.1112","0.1216","","","","","","1.059","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021775","15.8911","0.0013","9.6209","0.0007","15.9244","0.0011","90","","91.581","0.003","90","","2433.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>N</i>^5^-(4-methoxybenzyl)-4-[2-(4-methoxyphenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine","","- C27 H26 N6 O3 -","- C27 H26 N6 O3 -","- C108 H104 N24 O12 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0606","0.0508","","","0.1227","0.1284","","","","","","1.066","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021776","7.6614","0.0006","16.6048","0.0011","18.1311","0.0013","90","","97.101","0.003","90","","2288.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Methoxy-<i>N</i>^5^-(4-nitrobenzyl)-4-[2-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine","","- C25 H20 N8 O5 -","- C25 H20 N8 O5 -","- C100 H80 N32 O20 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0481","0.0427","","","0.109","0.1135","","","","","","1.054","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021777","8.1992","0.0007","11.016","0.0008","11.424","0.0009","109.105","0.003","109.171","0.003","97.138","0.003","889.35","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-4-[2-(4-methylphenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine monohydrate","","- C19 H20 N6 O2 -","- C19 H20 N6 O2 -","- C38 H40 N12 O4 -","2","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0416","0.0369","","","0.0937","0.0985","","","","","","1.033","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021778","9.1818","0.0008","21.0771","0.0016","13.361","0.0011","90","","91.777","0.003","90","","2584.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{5-Amino-6-methoxy-6-[2-(4-methylphenyl)-1<i>H</i>-\ benzo[<i>d</i>]imidazol-1-yl]pyrimidin-2-yl}-2,2,2-trifluoroacetamide ethyl acetate monosolvate","","- C25 H25 F3 N6 O4 -","- C25 H25 F3 N6 O4 -","- C100 H100 F12 N24 O16 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0557","0.0494","","","0.1163","0.1204","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","218867","2020-10-21","18:00:00",""
"2021779","12.6296","0.0008","11.2206","0.0007","15.648","0.001","90","","104.18","0.002","90","","2149.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-{2-Amino-6-methoxy-4-[2-(4-methylphenyl)-1<i>H</i>-\ benzo[<i>d</i>]imidazol-1-yl]pyrimidin-5-yl}-2,2,2-trifluoroacetamide","","- C22 H21 F3 N6 O3 -","- C22 H21 F3 N6 O3 -","- C88 H84 F12 N24 O12 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0531","0.0401","","","0.0914","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021780","21.8106","0.0003","18.0754","0.0002","18.1455","0.0002","90","","100.742","0.001","90","","7028.24","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}(η^4^-norbornadiene)rhodium(I) tetrafluoridoborate","","- C43 H36 B F4 O P2 Rh -","- C43 H36 B F4 O P2 Rh -","- C344 H288 B8 F32 O8 P16 Rh8 -","8","2","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0473","0.0369","","","0.0925","0.1048","","","","","","1.066","","","","has coordinates,has Fobs","218906","2020-10-21","18:00:00",""
"2021781","11.3056","0.0003","12.8231","0.0004","14.6101","0.0004","83.286","0.001","74.695","0.001","72.262","0.001","1944.29","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}[η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-\ diene]rhodium(I) tetrafluoridoborate dichloromethane monosolvate","","- C45 H42 B Cl2 F4 O P2 Rh -","- C45 H42 B Cl2 F4 O P2 Rh -","- C90 H84 B2 Cl4 F8 O2 P4 Rh2 -","2","1","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0537","0.0452","","","0.1205","0.1274","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","218906","2020-10-21","18:00:00",""
"2021782","10.3662","0.0005","12.0008","0.0005","15.4693","0.0007","83.69","0.001","89.763","0.001","64.953","0.001","1730.97","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}chlorido(η^4^-norbornadiene)rhodium(I)","","- C43 H36 Cl O P2 Rh -","- C43 H36 Cl O P2 Rh -","- C86 H72 Cl2 O2 P4 Rh2 -","2","1","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0303","0.0258","","","0.0673","0.0721","","","","","","1.029","","","","has coordinates,has Fobs","218906","2020-10-21","18:00:00",""
"2021783","6.4074","0.0004","8.1772","0.0008","16.3291","0.0009","90","","99.241","0.005","90","","844.45","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methyl-7-(5-methylisoxazol-3-yl)cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane)","","- C16 H26 N2 O5 -","- C16 H26 N2 O5 -","- C32 H52 N4 O10 -","2","1","KU3248","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","How the oxazole fragment influences the conformation of the tetraoxazocane ring in a cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane): single-crystal X-ray and theoretical study","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012592","","x-ray","0.71073","MoKα","","0.0763","0.0557","","","0.1176","0.1284","","","","","","1.029","","","","has coordinates,has Fobs","218907","2020-10-21","18:00:00",""
"2021784","12.7626","0.0004","6.92827","0.00014","19.7011","0.0004","90","","104.619","0.003","90","","1685.63","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metacetamol hemihydrate","<i>N</i>-(3-Hydroxyphenyl)acetamide hemihydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","CU3154","Zemtsova, Viktoria M.; Fedorov, Alexey Yu.; Fedorova, Elizaveta A.; Boa, Callum; Arkhipov, Sergey G.; Rychkov, Denis A.; Minkov, Vasily S.; Pulham, Colin R.; Boldyreva, Elena V.","A novel crystal form of metacetamol: the first example of a hydrated form","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619012981","","x-ray","0.71073","MoKα","","0.0778","0.0478","","","0.1064","0.1206","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","219107","2020-10-21","18:00:00",""
"2021785","24.372","0.0011","31.382","0.007","7.543","0.007","90","","90","","90","","5769","6","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","9,9-Bimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","","- C37 H42 -","- C37 H42 -","- C296 H336 -","8","2","YP3194","Gupta, Sakuntala; Choudhury, Tanmay; Dmochowska, Ewelina; Kula, Przemyslaw; Borbone, Fabio; Centore, Roberto","Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013007","","x-ray","0.71073","MoKα","","0.0878","0.0546","","","0.1253","0.1407","","","","","","1.048","","","","has coordinates,has Fobs","219108","2020-10-21","18:00:00",""
"2021786","5.954","0.016","7.88","0.02","26.3","0.07","89.56","0.07","86.85","0.06","87.68","0.06","1231","6","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O3 -","- C32 H30 O3 -","- C64 H60 O6 -","2","1","FN3321","Vashchenko, Alexander; Smirnov, Vladimir; Semenova, Nadezhda; Schmidt, Elena","Unusual structure of a biphenyl fragment: the important role of weak interactions","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619012567","","","0.71073","MoKα","","0.0601","0.0484","","","0.1228","0.1311","","","","","","1.025","","","","has coordinates,has Fobs","219109","2020-10-21","18:00:00",""
"2021787","19.564","0.008","5.397","0.002","17.161","0.007","90","","90","","90","","1812","1.2","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Barium yttrium fluoridozirconate","","- Ba4 F23 Y Zr3 -","- Ba4 F23 Y Zr3 -","- Ba16 F92 Y4 Zr12 -","4","1","KU3252","Laval, Jean-Paul; Taoudi, Abdelkrim","Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013081","","","0.7107","MoKα","","0.0413","0.0281","","","0.0384","0.041","","","","","","1.031","","","","has coordinates,has Fobs","219110","2020-10-21","18:00:00",""
"2021788","8.6245","0.0003","9.5342","0.0004","11.7229","0.0005","78.332","0.002","77.789","0.002","66.341","0.002","855.5","0.06","150","2","150","","","","","","","","","4","P -1","-P 1","2","","Phenylselenium trichloride","","- C6 H5 Cl3 Se -","- C6 H5 Cl3 Se -","- C24 H20 Cl12 Se4 -","4","2","KY3190","Bloomfield, Hannah R.; Ritch, Jamie S.","A new polymorph of phenylselenium trichloride","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013019","","","0.71073","MoKα","","0.0484","0.0292","","","0.0466","0.0507","","","","","","1.053","","","","has coordinates","219111","2020-10-21","18:00:00",""
"2021789","10.404","0.003","13.969","0.004","16.226","0.004","113.317","0.004","104.231","0.004","90.973","0.004","2081.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamidato)-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']iron(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(4,4'-bipyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)manganese(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C42 H36 Cl Fe Mn N10 O8 -","- C42 H36 Cl Fe Mn N10 O8 -","- C84 H72 Cl2 Fe2 Mn2 N20 O16 -","2","1","YP3197","Lan, Wenlong; Zhou, Zhen; Li, Jie; Dou, Yong; Hao, Xiaoyun; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng","A cyanide-bridged Fe^III^‒Mn^II^ heterobimetallic one-dimensional coordination polymer: synthesis, crystal structure, experimental and theoretical magnetism investigation","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013172","","","0.71073","MoKα","","0.1293","0.0594","","","0.1462","0.1768","","","","","","0.984","","","","has coordinates","219112","2020-10-21","18:00:00",""
"2021790","7.347","0.004","10.197","0.006","18.477","0.01","90","","90","","90","","1384.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1mo","(2<i>S</i>)-Methyl (<i>Z</i>)-5-(2-<i>tert</i>-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","0.71073","MoKα","","0.0584","0.0512","","","0.1197","0.1236","","","","","","1.077","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021791","7.3731","0.0003","10.1909","0.0004","18.4972","0.0007","90","","90","","90","","1389.85","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1cu","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","1.54178","CuKα","","0.0341","0.0315","","","0.0756","0.0771","","","","","","1.104","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021792","6.6108","0.0003","7.3958","0.0004","16.9678","0.0011","90","","90","","90","","829.59","0.08","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Mn N2 O4 S -","- C6 H8 Mn N2 O4 S -","- C24 H32 Mn4 N8 O16 S4 -","4","0.25","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.0409","0.038","","0.0382","0.0379","","","","1.98","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2021793","7.0852","0.0007","7.2052","0.0007","16.431","0.002","90","","90","","90","","838.81","0.15","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Cu N2 O4 S -","- C6 H8 Cu N2 O4 S -","- C24 H32 Cu4 N8 O16 S4 -","4","0.5","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.038","0.038","","0.0577","0.0577","","","","3.26","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2021795","34.5658","0.0016","9.3832","0.0004","12.5209","0.0006","90","","90","","90","","4061","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) chloride","","- C16 H36 Cl3 Fe N4 -","- C16 H36 Cl3 Fe N4 -","- C128 H288 Cl24 Fe8 N32 -","8","0.5","CU3157","Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013925","","","0.71073","MoKα","","0.0281","0.0249","","","0.0621","0.0637","","","","","","1.057","","","","has coordinates,has Fobs","219510","2020-10-21","18:00:00",""
"2021796","6.5569","0.0002","19.1663","0.0005","20.2946","0.0005","90","","95.3558","0.0015","90","","2539.32","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) tetrachloridoferrate","","- C16 H36 Cl6 Fe2 N4 -","- C16 H36 Cl6 Fe2 N4 -","- C64 H144 Cl24 Fe8 N16 -","4","1","CU3157","Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013925","","","1.54178","CuKα","","0.0357","0.0318","","","0.084","0.0858","","","","","","1.111","","","","has coordinates,has Fobs","219510","2020-10-21","18:00:00",""
"2021797","16.687","0.004","4.5071","0.0008","13.933","0.003","90","","114.21","0.03","90","","955.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-2,2'-biimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^)(μ~4~-cyanido-κ^4^<i>C</i>:<i>C</i>:<i>N</i>:<i>N</i>)(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicopper(I)]","","- C8 H6 Cu2 N6 -","- C8 H6 Cu2 N6 -","- C32 H24 Cu8 N24 -","4","0.5","YO3064","Qin, Ying-Lian; Sun, Hong; Jing, Yan; Jiang, Xiu-Ping; Wang, Gao-Feng; Qin, Jian-Fang","A novel three-dimensional copper(I) cyanide coordination polymer constructed from various bridging ligands: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014025","","","0.71073","MoKα","","0.0681","0.0567","","","0.1562","0.1636","","","","","","1.213","","","","has coordinates,has disorder,has Fobs","219511","2020-10-21","18:00:00",""
"2021798","17.491","0.003","16.604","0.003","15.17","0.003","90","","101.362","0.002","90","","4319.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Bis[4-(diethylamino)benzylidene]cyclobutanone","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C208 H256 N16 O8 -","8","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.055","0.0465","","","0.1241","0.1314","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","220535","2020-10-21","18:00:00",""
"2021799","13.064","0.0017","13.3132","0.0017","14.9575","0.0019","78.53","0.001","66.274","0.002","71.554","0.002","2251.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[4-(diethylamino)benzylidene]cyclopentanone","","- C27 H34 N2 O -","- C27 H34 N2 O -","- C108 H136 N8 O4 -","4","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.0554","0.0452","","","0.1225","0.1307","","","","","","1.031","","","","has coordinates,has Fobs","220535","2020-10-21","18:00:00",""
"2021800","11.224","0.008","13.874","0.01","16.93","0.012","87.69","0.02","77.11","0.016","67.445","0.014","2370","3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis[4-(diethylamino)benzylidene]cyclohexanone","","- C28 H36 N2 O -","- C28 H36 N2 O -","- C112 H144 N8 O4 -","4","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.0971","0.0608","","","0.1446","0.1661","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","220535","2020-10-21","18:00:00",""
"2021801","13.9075","0.0011","5.1543","0.0005","18.801","0.0016","90","","97.772","0.008","90","","1335.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1215","0.078","","","0.2039","0.2406","","","","","","0.973","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021802","15.611","0.005","3.8414","0.0009","21.974","0.007","90","","90.74","0.03","90","","1317.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1488","0.0667","","","0.1172","0.1501","","","","","","0.904","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021803","3.9158","0.0008","17.717","0.003","18.832","0.003","90","","94.67","0.016","90","","1302.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1359","0.0714","","","0.1557","0.1918","","","","","","0.945","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021804","3.7788","0.0009","9.9655","0.0017","16.899","0.003","90","","93.466","0.019","90","","635.2","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C32 H18 N6 O6 -","2","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1015","0.0785","","","0.1858","0.2095","","","","","","1.004","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021805","20.931","0.002","3.7708","0.0005","16.0887","0.0015","90","","90","","90","","1269.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.0803","0.0566","","","0.1203","0.1326","","","","","","0.957","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021806","8.8215","0.0006","15.0094","0.001","16.6719","0.0012","90","","95.666","0.004","90","","2196.7","0.3","180","0.5","180","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0619","0.0503","","","0.1315","0.1413","","","","","","1.022","","","","has coordinates","223399","2020-10-21","18:00:00",""
"2021807","8.8624","0.0002","15.0884","0.0003","16.7029","0.0004","90","","95.302","0.002","90","","2223.95","0.09","299","1","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","1.54184","CuKα","","0.0945","0.0879","","","0.2618","0.2702","","","","","","1.1","","","","has coordinates","223400","2020-10-21","18:00:00",""
"2021808","4.354","0.003","23.381","0.014","15.8","0.01","90","","97.096","0.006","90","","1596.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.0664","0.0523","","","0.1274","0.1378","","","","","","1.095","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021809","19.861","0.009","5.16","0.002","16.451","0.008","90","","109.589","0.008","90","","1588.4","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.1154","0.066","","","0.1346","0.1573","","","","","","1.053","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021810","18.644","0.002","18.646","0.002","26.106","0.003","90","","107.16","0.001","90","","8671.4","1.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[tetrakis(μ~4~-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)tetrakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tetrakis(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)hexacadmium(II)]","","- C76 H60 Cd6 F8 N16 O20 -","- C76 H60 Cd6 F8 N16 O20 -","- C304 H240 Cd24 F32 N64 O80 -","4","1","YF3133","Zhang, Yuchi; Wu, Yuanhua; He, Xin; Ma, Junhan; Shen, Xuan; Zhu, Dunru","Topological identification of the first uninodal 8-connected lsz MOF built from 2,2'-difluorobiphenyl-4,4'-dicarboxylate pillars and cadmium(II)‒triazolate layers","Acta Crystallographica Section C","2018","74","3","256","262","10.1107/S2053229618001432","","","0.71073","MoKα","","0.0477","0.0465","","","0.1088","0.1095","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","227649","2020-10-21","18:00:00",""
"2021811","11.75455","0.00034","8.57201","0.00031","14.5155","0.0005","84.16","0.014","90","","90","","1454.99","0.09","100","","100","","","","","","","","","4","P c 1 1","P -2xc","7","paracetamol formIII-m","<i>N</i>-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04111","","5.99","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021812","11.8376","0.00029","8.5688","0.0003","14.81837","0.00016","90","","90","","90","","1503.09","0.07","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","paracetamol formIII","<i>N</i>-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.039","","4.69","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021813","13.8999","0.0007","18.0445","0.0011","14.4096","0.0008","90","","99.568","0.002","90","","3563.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxylatophenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}(μ-formato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')dicadmium(II)] monohydrate]","","- C37 H30 Cd2 N4 O11 -","- C37 H30 Cd2 N4 O11 -","- C148 H120 Cd8 N16 O44 -","4","1","QF3036","He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na","Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties","Acta Crystallographica Section C Structural Chemistry","2019","75","12","","","10.1107/S2053229619014633","","","0.71073","MoKα","","0.0393","0.028","","","0.0596","0.0642","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","227691","2020-10-21","18:00:00",""
"2021814","9.9758","0.0006","10.529","0.0007","13.7445","0.0009","91.623","0.004","108.25","0.003","116.694","0.003","1200.37","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}manganese(II)] sesquihydrate]","","- C52 H42 Mn2 N4 O17 -","- C52 H42 Mn2 N4 O17 -","- C52 H42 Mn2 N4 O17 -","1","0.5","QF3036","He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na","Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties","Acta Crystallographica Section C Structural Chemistry","2019","75","12","","","10.1107/S2053229619014633","","","0.71073","MoKα","","0.0665","0.0516","","","0.1491","0.1604","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","227691","2020-10-21","18:00:00",""
"2021815","10.8248","0.001","21.331","0.002","13.546","0.0015","90","","94.595","0.003","90","","3117.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(2-amino-4-sulfonatobenzoato-κ<i>O</i>^1^)tetraaquatris{μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dicobalt(II)] tetrahydrate]","","- C28 H34 Co N7 O9 S -","- C28 H34 Co N7 O9 S -","- C112 H136 Co4 N28 O36 S4 -","4","1","YF3197","Zhang, Chong; Zhang, Qing-Hong; Zhang, Kou-Lin","Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane-like cobalt(II)‒organic framework","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014669","","","0.71073","MoKα","","0.0717","0.04","","","0.0824","0.0928","","","","","","1.015","","","","has coordinates,has Fobs","227692","2020-10-21","18:00:00",""
"2021816","18.804","0.005","5.792","0.002","24.523","0.006","90","","92.57","0.03","90","","2668.2","1.3","100","0.11","100","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>DL</i>-Phenylglycinium trifluoromethanesulfonate monohydrate","","- C9 H12 F3 N O6 S -","- C9 H12 F3 N O6 S -","- C72 H96 F24 N8 O48 S8 -","8","1","JX3047","Wołoszyn, Łukasz; Ilczyszyn, Maria M.; Kinzhybalo, Vasyl","The dehydration process in the <small>DL</small>-phenylglycinium trifluoromethanesulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014402","","x-ray","0.71073","MoKα","","0.0739","0.056","","","0.1442","0.1526","","","","","","1.039","","","","has coordinates,has Fobs","227693","2020-10-21","18:00:00",""
"2021817","10.485","0.004","10.635","0.004","13.734","0.005","104.79","0.03","98.04","0.03","118.07","0.03","1244.4","1","373","2","373.15","","","","","","","","","6","P -1","-P 1","2","","<i>DL</i>-Phenylglycinium trifluoromethanesulfonate","","- C9 H10 F3 N O5 S -","- C9 H10 F3 N O5 S -","- C36 H40 F12 N4 O20 S4 -","4","2","JX3047","Wołoszyn, Łukasz; Ilczyszyn, Maria M.; Kinzhybalo, Vasyl","The dehydration process in the <small>DL</small>-phenylglycinium trifluoromethanesulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014402","","x-ray","0.71073","MoKα","","0.204","0.092","","","0.2124","0.2743","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","227693","2020-10-21","18:00:00",""
"2021818","27.7272","0.0015","15.8769","0.0009","19.7083","0.0019","90","","132.525","0.0015","90","","6394.1","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^:<i>O</i>^5^}bis(1,10-phenanthroline)trinickel(II)] dimethylformamide 1.5-solvate trihydrate]","","- C70.5 H58.5 N5.5 Ni3 O22.5 -","- C66 H42 N4 Ni3 O18 -","- C264 H168 N16 Ni12 O72 -","4","0.5","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.0808","0.0513","","","0.1048","0.1151","","","","","","1.014","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021819","27.9723","0.0008","15.9725","0.0005","19.7372","0.001","90","","132.662","0.0007","90","","6484.7","0.4","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^3^:<i>O</i>^5^:<i>O</i>^5'^}bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tricobalt(II)] diethylamine disolvate tetrahydrate]","","- C70 H64 Co3 N6 O22 -","- C66 H42 Co3 N4 O18 -","- C264 H168 Co12 N16 O72 -","4","0.5","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.05","0.0372","","","0.0927","0.0984","","","","","","1.044","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021820","9.012","0.002","10.866","0.003","15.755","0.004","89.462","0.008","74.554","0.007","66.57","0.007","1356.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-(3-carboxyphenoxy)-3,3'-oxydibenzoato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C33 H22 N2 O9 Zn -","- C33 H22 N2 O9 Zn -","- C66 H44 N4 O18 Zn2 -","2","1","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.0758","0.043","","","0.0823","0.092","","","","","","1.015","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021821","5.89632","0.00018","6.0225","0.0002","6.0147","0.0002","86.454","0.004","87.276","0.004","70.898","0.003","201.354","0.012","298","","298","","","","","","","","","5","P -1","-P 1","2","Magnesium chloride hexadeuterate","Magnesium chloride hexadeuterate","","- Cl2 D11.52 H0.48 Mg O6 -","- Cl2 D11.52 H0.48 Mg O6 -","- Cl2 D11.52 H0.48 Mg O6 -","1","0.5","LG3249","Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki","Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014670","powder diffraction","neutron","","neutron","","","","","","","","","","2.8","","","","","","","has coordinates,has Fobs","227695","2020-10-21","18:00:00",""
"2021822","5.7639","0.0014","5.9218","0.0002","5.9806","0.0012","84.68","0.04","86.72","0.06","70.99","0.04","192.09","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- Cl2 H12 Mg O6 -","- Cl2 Mg O6 -","- Cl2 Mg O6 -","1","0.5","LG3249","Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki","Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014670","","","0.7107","MoKα","","0.062","0.062","","","","0.2034","","","","","","1.006","","","","has coordinates,has Fobs","227695","2020-10-21","18:00:00",""
"2021823","10.043","0.002","11.036","0.002","21.159","0.004","75.991","0.003","77.963","0.003","71.388","0.003","2134.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate","","","- C48 H40 As2 F6 O2 Tc -","- C48 H40 As2 F6 O2 Tc -","- C96 H80 As4 F12 O4 Tc2 -","2","1","DG3001","Balasekaran, Samundeeswari Mariappan; Poineau, Frederic","Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014724","","","0.71073","MoKα","","0.0278","0.0241","","","0.0593","0.0608","","","","","","1.069","","","","has coordinates,has Fobs","227865","2020-10-21","18:00:00",""
"2021824","8.1413","0.0007","19.3495","0.0017","9.9395","0.0007","90","","97.44","0.008","90","","1552.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyanobenzyl)-4,4'-bipyridin-1-ium chloride","","- C18 H14 Cl N3 -","- C18 H14 Cl N3 -","- C72 H56 Cl4 N12 -","4","1","LF3103","Zhang, Yan; Li, Mei; Li, Shi-Li; Zhang, Xian-Ming","The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015225","","x-ray","1.54184","CuKα","","0.0627","0.0462","","","0.1196","0.1378","","","","","","1.031","","","","has coordinates,has Fobs","232463","2020-10-21","18:00:00",""
"2021825","8.2921","0.0003","18.943","0.001","10.2348","0.0004","90","","97.849","0.004","90","","1592.59","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyanobenzyl)-4,4'-bipyridin-1-ium bromide","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","LF3103","Zhang, Yan; Li, Mei; Li, Shi-Li; Zhang, Xian-Ming","The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015225","","x-ray","1.54184","CuKα","","0.0555","0.0436","","","0.1075","0.117","","","","","","1.071","","","","has coordinates,has Fobs","232463","2020-10-21","18:00:00",""
"2021826","10.6765","0.0006","28.819","0.003","6.8163","0.0004","90","","104.395","0.005","90","","2031.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrophenol‒1,3,5,7-tetraazatricyclo[3.3.1.1^3,7^]decane‒water (2:1:1)","","- C18 H24 N6 O7 -","- C18 H24 N6 O7 -","- C72 H96 N24 O28 -","4","1","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0686","0.0568","","","0.1307","0.136","","","","","","1.238","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021827","7.2053","0.0007","25.253","0.002","6.5134","0.0006","90","","120.939","0.006","90","","1016.52","0.17","173","2","173","2","","","","","","","","4","C 1 m 1","C -2y","8","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (2:1)","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C38 H48 N12 O12 -","2","0.5","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0457","0.0391","","","0.0911","0.0937","","","","","","1.049","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021828","26.159","0.003","6.4931","0.0004","12.807","0.0014","90","","106.338","0.008","90","","2087.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (2:1)","","- C20 H26 N6 O6 -","- C20 H26 N6 O6 -","- C80 H104 N24 O24 -","4","1","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0393","0.0362","","","0.0853","0.0867","","","","","","1.082","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021829","9.5941","0.0005","14.9735","0.0005","10.7212","0.0005","90","","105.719","0.005","90","","1482.58","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-3-[(Carboxylatomethyl)sulfanyl]-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-4-ido-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>O</i>}bis[aqua(methanol-κ<i>O</i>)cobalt(II)] methanol disolvate","","- C11 H16 Co N4 O5 S -","- C11 H16 Co N4 O5 S -","- C44 H64 Co4 N16 O20 S4 -","4","1","YP3199","Fang, Zi-Yi; Zhang, Li; Ma, Jian-Ping; Zhao, Long; Wang, Shi-Ling; Xie, Nan-Hua; Liu, Yi-Qin; Guo, Xiao-Ying; Qin, Jie","Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015602","","x-ray","0.71073","MoKα","","0.055","0.0378","","","0.0919","0.0997","","","","","","1.061","","","","has coordinates,has Fobs","242989","2020-10-21","18:00:00",""
"2021830","25.9178","0.0006","25.9178","0.0006","9.4186","0.0003","90","","90","","90","","6326.8","0.3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","{μ-3-[(Carboxylatomethyl)sulfanyl]-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-4-ido-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>O</i>}bis[diaquanickel(II)] methanol disolvate dihydrate","","- C10 H16 N4 Ni O6 S -","- C10 H16 N4 Ni O6 S -","- C160 H256 N64 Ni16 O96 S16 -","16","1","YP3199","Fang, Zi-Yi; Zhang, Li; Ma, Jian-Ping; Zhao, Long; Wang, Shi-Ling; Xie, Nan-Hua; Liu, Yi-Qin; Guo, Xiao-Ying; Qin, Jie","Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015602","","x-ray","1.54184","CuKα","","0.041","0.0335","","","0.0809","0.0864","","","","","","1.024","","","","has coordinates,has Fobs","242989","2020-10-21","18:00:00",""
"2021831","20.8602","0.0003","8.76477","0.00012","34.5299","0.0007","90","","90","","90","","6313.27","0.18","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dihydrate","","- C34 H32 Cl2 N2 O8 -","- C34 H32 Cl2 N2 O8 -","- C272 H256 Cl16 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0565","0.0427","","","0.1082","0.1189","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021832","24.0513","0.0003","7.23787","0.00008","37.2921","0.0004","90","","93.1167","0.001","90","","6482.21","0.13","114","5","114","5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dichloromethane hemisolvate dihydrate","","- C34.5 H33 Cl3 N2 O8 -","- C34.5 H33 Cl3 N2 O8 -","- C276 H264 Cl24 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0356","0.0327","","","0.0823","0.0846","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021833","8.15748","0.00018","15.9353","0.0003","25.4325","0.0005","90","","93.9667","0.0018","90","","3298.1","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate ethanol monosolvate","","- C36 H34 Cl2 N2 O7 -","- C36 H34 Cl2 N2 O7 -","- C144 H136 Cl8 N8 O28 -","4","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0604","0.0478","","","0.1248","0.1362","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021834","20.8841","0.0007","7.44641","0.00019","21.5399","0.0007","90","","110.049","0.004","90","","3146.71","0.19","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate methanol monosolvate","","- C35 H32 Cl2 N2 O7 -","- C35 H32 Cl2 N2 O7 -","- C140 H128 Cl8 N8 O28 -","4","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0604","0.0426","","","0.11","0.1233","","","","","","1.027","","","","has coordinates,has Fobs","242991","2020-10-21","18:00:00",""
"2021835","8.1183","0.0003","13.7384","0.0006","15.0469","0.0006","97.102","0.004","97.62","0.003","91.886","0.003","1648.56","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate methanol disolvate","","- C36 H36 Cl2 N2 O8 -","- C36 H36 Cl2 N2 O8 -","- C72 H72 Cl4 N4 O16 -","2","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0609","0.0496","","","0.1343","0.1459","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021836","9.29","0.012","11.228","0.014","18","0.02","95.133","0.017","97.423","0.017","100.66","0.017","1817","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,16-Dibenzyl-1λ^5^,5,9,12λ^5^,16,20-hexaazatricyclo[18.2.1.1^9,12^]tetracosa-1(23),10,12(24),21-tetraene-1,12-diium bis(hexafluorophosphate)","","- C32 H44 F12 N6 P2 -","- C32 H44 F12 N6 P2 -","- C64 H88 F24 N12 P4 -","2","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1125","0.056","","","0.134","0.1591","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021837","10.3943","0.0004","13.6413","0.0006","15.8517","0.0007","91.6088","0.0018","95.5859","0.0019","110.427","0.0016","2091.66","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](5,16-dibenzyl-1,5,9,12,16,20-hexaazatricyclo[18.2.1.1^9,12^]tetracosa-10,21-dien-21,22-diylidene)iridium(I) bromide dichloromethane monosolvate","","- C41 H56 Br Cl2 Ir N6 O -","- C40 H54 Br Ir N6 -","- C80 H108 Br2 Ir2 N12 -","2","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.0544","0.0522","","","0.1777","0.1797","","","","","","1.05","","","","has coordinates,has Fobs","242994","2020-10-21","18:00:00",""
"2021838","12.6186","0.0005","27.239","0.0011","30.2461","0.0011","90","","90","","90","","10396.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-5,20-dibenzyl-1,5,9,16,20,24-hexaazapentacyclo[22.6.1.1^9,16^.0^10,15^.0^25,30]dotriaconta-10(15),11,13,25(30),26,28-hexaene-31,32-diylidene]bis{bromido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)}","","- C56 H70 Br2 Ir2 N6 -","- C56 H70 Br2 Ir2 N6 -","- C448 H560 Br16 Ir16 N48 -","8","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1057","0.0774","","","0.2145","0.2369","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021839","11.887","0.0005","12.2535","0.0005","27.7511","0.0011","90","","90","","90","","4042.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Spiro[fench-2,2'-(2,3-dihydro-1<i>H</i>-quinazolin-4-one)]","(1<i>R</i>,2<i>S</i>,4<i>S</i>)-1,3,3-Trimethyl-1'<i>H</i>-spiro[bicyclo[2.2.1]heptane-2,2'-quinazolin]-4'(3'<i>H</i>)-one","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C136 H176 N16 O8 -","8","2","VP3001","Chernyshov, Vladimir V.; Gatilov, Yuri V.; Yarovaya, Olga I.; Koskin, Igor P.; Yarovoy, Spartak S.; Brylev, Konstantin A.; Salakhutdinov, Nariman F.","The first example of the stereoselective synthesis and crystal structure of a spirobicycloquinazolinone based on (‒)-fenchone and anthranilamide","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015766","","","0.71073","MoKα","","0.0845","0.0542","","","0.1599","0.1777","","","","","","1.042","","","","has coordinates,has Fobs","243776","2020-10-21","18:00:00",""
"2021840","16.2511","0.0014","11.612","0.0011","20.2609","0.0018","90","","124.02","0.005","90","","3169","0.5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[diaqiabis(μ-4,4'-bipyridine)bis{μ~3~-5-[(2-carboxyphenoxy)methyl]isophthalato}tricadmium(III)] dimethylformamide monosolvate 2.5-hydrate]","","- C58 H62 Cd3 N6 O23 -","- C52 H38 Cd3 N4 O16 -","- C104 H76 Cd6 N8 O32 -","2","0.5","","Yu, Yu'e; Chen, Yuqian; Mi, Xiuna; Wang, Suna; Lu, Jing","A novel (3,6)-connected Cd^II^ coordination polymer based on an ether-linked tricarboxylate ligand: synthesis, topology and luminescence sensing properties in aqueous solution","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015560","","","0.71073","MoKα","","0.1074","0.0694","","","0.1652","0.1791","","","","","","1.017","","","","has coordinates,has Fobs","243777","2020-10-21","18:00:00",""
"2021841","11.4608","0.0015","5.3791","0.0009","26.74","0.004","90","","91.457","0.012","90","","1648","0.4","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","4-(Pyridin-2-yl)pyrimidin-2-amine","","- C9 H8 N4 -","- C9 H8 N4 -","- C72 H64 N32 -","8","1","KY3191","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Garcia, Esteban; Tenorio, Juan-C.; Ellena, Javier","Synthesis, spectroscopic (FT‒IR and UV‒Vis), crystallographic and theoretical studies, and amolecular docking simulation of an imatinib-like template","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015523","","","0.71073","MoKα","","0.0711","0.0462","","","0.114","0.1341","","","","","","1.032","","","","has coordinates,has Fobs","243778","2020-10-21","18:00:00",""
"2021842","9.6124","0.0006","9.7864","0.0008","12.7314","0.001","96.787","0.006","110.599","0.006","93.325","0.006","1106.82","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[copper(I)-di-μ-iodido-copper(I)-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)] 1,4-dioxane monosolvate]","","- C38 H34 Cu2 I2 N10 O4 -","- C38 H34 Cu2 I2 N10 O4 -","- C38 H34 Cu2 I2 N10 O4 -","1","0.5","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0817","0.0756","","","0.2149","0.2242","","","","","","1.042","","","","has coordinates","243812","2020-10-21","18:00:00",""
"2021843","9.4532","0.0003","14.9309","0.0005","15.8386","0.0006","108.975","0.003","99.904","0.003","104.901","0.003","1961.42","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[dinitratocopper(II)]-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)]‒methanol‒water (1/1/0.65)]","","- C36 H35.3 Cd N12 O10.65 -","- C36 H35.3 Cd N12 O10.65 -","- C72 H70.6 Cd2 N24 O21.3 -","2","1","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0437","0.0398","","","0.1091","0.1117","","","","","","1.105","","","","has coordinates,has disorder","243812","2020-10-21","18:00:00",""
"2021844","5.1714","0.0003","22.8649","0.0014","8.0202","0.0005","90","","92.875","0.006","90","","947.14","0.1","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[silver(I)-μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole] hexafluoridophosphate]","","- C17 H13 Ag F6 N5 O P -","- C17 H13 Ag F6 N5 O P -","- C34 H26 Ag2 F12 N10 O2 P2 -","2","1","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0571","0.0511","","","0.1289","0.1349","","","","","","1.03","","","","has coordinates","243812","2020-10-21","18:00:00",""
"2021845","16.0576","0.0012","24.7423","0.0019","18.2142","0.0014","90","","105.443","0.001","90","","6975.3","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(μ-butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>:κ<i>O</i>')di-μ-hydroxido-bis[(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl hydrogen phosphato-κ<i>O</i>)(butyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ<i>O</i>)chromium](<i>Cr</i>—<i>Cr</i>) heptane disolvate","","- C128 H228 Cr2 O26 P6 -","- C128 H228 Cr2 O26 P6 -","- C256 H456 Cr4 O52 P12 -","2","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0541","0.0427","","","0.1047","0.1118","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021846","15.4994","0.001","23.1995","0.0016","25.5787","0.0017","90","","90","","90","","9197.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(2,6-diisopropylphenyl) phosphato-1κ<i>O</i>:2κ<i>O</i>']bis[bis(2,6-diisopropylphenyl) phosphato]-1κ<i>O</i>,2κ<i>O</i>-chlorido-2κ<i>Cl</i>-triethanol-1κ^2^<i>O</i>,2κ<i>O</i>-di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-dichromium(<i>Cr</i>—<i>Cr</i>) ethanol monosolvate","","- C84 H136 Cl Cr2 O18 P3 -","- C84 H136 Cl Cr2 O18 P3 -","- C336 H544 Cl4 Cr8 O72 P12 -","4","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0901","0.0497","","","0.0949","0.1076","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021847","12.8003","0.001","14.3922","0.0011","19.0048","0.0015","76.5044","0.0012","74.5363","0.0012","66.3984","0.0011","3060.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-bis{[bis(2,6-diisopropylphenyl) hydrogen phosphato-κ<i>O</i>][bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]chlorido(ethanol-κ<i>O</i>)chromium}(<i>Cr</i>—<i>Cr</i>) benzene disolvate","","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","- C116 H172 Cl2 Cr2 O20 P4 -","1","0.5","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.066","0.0492","","","0.1385","0.1493","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021848","10.6325","0.0002","14.7734","0.0002","21.7751","0.0004","90","","90","","90","","3420.39","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-Methoxyphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 O -","- C23 H18 O -","- C184 H144 O8 -","8","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.052","0.0433","","","0.1047","0.11","","","","","","1.041","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021849","9.6548","0.0005","22.2107","0.001","7.9248","0.0004","90","","105.749","0.001","90","","1635.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrophenyl)-1,1-diphenylbut-1-en-3-yne","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","0.71073","MoKα","","0.0672","0.0421","","","0.0898","0.0995","","","","","","1.037","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021850","14.3054","0.0003","5.8354","0.0001","19.0365","0.0004","90","","90.935","0.001","90","","1588.91","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4-(2-Methylphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 -","- C23 H18 -","- C92 H72 -","4","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.0715","0.0497","","","0.1072","0.1163","","","","","","1.077","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021851","9.3538","0.0002","9.7899","0.0003","19.3432","0.0005","90","","90","","90","","1771.31","0.08","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","Diphenyl (cycloheptylamido)phosphate","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C76 H96 N4 O12 P4 -","4","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","","0.71073","MoKα","","0.0607","0.0522","","0.1054","0.0964","0.1028","","","","","","0.9502","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021852","8.3404","0.0003","9.5349","0.0005","14.9677","0.0007","76.28","0.004","75.778","0.004","72.055","0.004","1080.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl (dibenzylamido)phosphate","","- C26 H24 N O3 P -","- C26 H24 N O3 P -","- C52 H48 N2 O6 P2 -","2","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","x-ray","0.71073","MoKα","","0.0361","0.033","","","0.0837","0.086","","","","","","1.049","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021867","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","Roche, D.; Métin, J.; Madesclaire, M.","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica Section C Crystal Structure Communications","1996","52","12","3104","","10.1107/S0108270196007172","","","0.71073","MoKα","","","0.049","","","0.049","","","","","1.34","1.34","","","","","has coordinates","246028","2020-10-21","18:00:00",""
"2021868","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1005.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-n-propionamido-α-alaninatocopper(II)","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0385","0.0292","","0.0545","0.0516","","","","1.096","1.12","1.12","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021869","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.68","0.19","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","'Bromo-n-propionamido-α-alaninatocopper(II) hydrate'","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0513","0.0478","","0.1167","0.1148","","","","1.074","1.097","1.097","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021870","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-diphenylguanidinium nitrate","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","N,N'-Diphenylguanidinium Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1998","54","6","805","","10.1107/S0108270198003084","","","0.71073","MoKα","","0.062","0.031","","","","0.098","","","","","","0.916","","","","has coordinates","246030","2020-10-21","18:00:00",""
"2021871","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(dipropylthiocarbamoyl)disulfide","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C Crystal Structure Communications","1999","55","4","573","","10.1107/S010827019801573X","","","0.71073","MoKα","","0.078","0.051","","","","0.143","","","","","","1.06","","","","has coordinates","246031","2020-10-21","18:00:00",""
"2021872","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li, S.; Lundquist, K.; Stomberg, R.","An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy","Acta Crystallographica Section C Crystal Structure Communications","1999","55","6","1012","","10.1107/S0108270199000670","","","0.71073","MoKα","","0.057","0.043","","","","0.127","","","","","","1.053","","","","has coordinates","246032","2020-10-21","18:00:00",""
"2021873","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.78","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Diisopropylammonium-Diphenylmethylnitronate","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, M.; Nagel, N.; Bock, H.; Dienelt, R.","Diisopropylammonium diphenylmethylnitronate at 200K","Acta Crystallographica Section C Crystal Structure Communications","1999","55","7","1147","","10.1107/S0108270199003054","","","0.71073","MoKα","","0.0767","0.0448","","0.1142","0.0965","","","","1.022","1.068","1.068","","","","","has coordinates","246033","2020-10-21","18:00:00",""
"2021925","13.023","0.004","7.34","0.002","27.762","0.009","90","","97.693","0.005","90","","2629.9","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrazone-N,N'-bis(3-formylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1027","0.0493","","","0.0885","0.1027","","","","","","0.882","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021926","10.2585","0.0004","11.961","0.0005","12.8232","0.0006","64.941","0.004","79.573","0.003","76.829","0.004","1381.45","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Dihydrazone-N,N'-bis(3-acetylindole)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinylidene}-1,2-diphenylethane","","- C34 H28 N6 -","- C34 H28 N6 -","- C68 H56 N12 -","2","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0515","0.0444","","","0.122","0.1294","","","","","","1.045","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021927","11.271","0.0006","11.6944","0.0007","12.5164","0.0006","79.875","0.004","87.701","0.004","64.941","0.006","1470.1","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Benzil dihydrazone-N,N'-bis(1-methyl-3-formylindole) acetonitrile solvate","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1-methyl-1<i>H</i>-indol-3-yl)\ methylidene]hydrazinylidene}-1,2-diphenylethane acetonitrile hemisolvate","","- C70 H59 N13 -","- C70 H59 N13 -","- C70 H59 N13 -","1","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.062","0.0494","","","0.1389","0.1514","","","","","","1.043","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021928","26.195","0.008","9.809","0.003","11.806","0.004","90","","115.23","0.005","90","","2744.1","1.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Benzil dihydrazone-N,N'-bis(1-formylnaphthalene)","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethane","","- C36 H26 N4 -","- C36 H26 N4 -","- C144 H104 N16 -","4","0.5","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.1419","0.0617","","","0.1093","0.1299","","","","","","0.954","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021929","6.8767","0.0001","8.3698","0.0002","32.6317","0.0006","90","","90","","90","","1878.17","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0369","0.0348","","","0.0932","0.0957","","","","","","1.024","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021930","8.358","0.0001","8.358","0.0001","54.6705","0.0007","90","","90","","90","","3819.07","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(<i>Z</i>)-2-{(<i>E</i>)-[1-(1<i>H</i>-Indol-3-yl)ethylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0429","0.0407","","","0.1111","0.113","","","","","","1.055","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021931","18.6779","0.0006","8.6694","0.0003","12.7956","0.0004","90","","106.91","0.004","90","","1982.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.059","0.0449","","","0.1268","0.1402","","","","","","1.029","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021932","17.2081","0.0013","9.4075","0.0008","11.9703","0.0009","90","","94.814","0.007","90","","1931","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-{(<i>E</i>)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.158","0.052","","","0.0612","0.0828","","","","","","0.867","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021933","9.419","0.004","8.322","0.003","14.342","0.006","90","","93.612","0.006","90","","1122","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0843","0.052","","","0.1083","0.1186","","","","","","0.922","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021934","5.285","0.003","18.418","0.009","6.699","0.003","90","","100.105","0.007","90","","642","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","0.71073","MoKα","","0.0868","0.0666","","","0.1572","0.1682","","","","","","0.965","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021935","5.3661","0.0004","18.6171","0.0016","6.6116","0.0005","90","","98.918","0.007","90","","652.52","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","norcantharidine - 4-nitraaniline","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0447","0.0403","","","0.1022","0.1091","","","","","","1.059","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021936","10.035","0.0017","5.5937","0.0013","8.9634","0.0017","90","","90","","90","","503.14","0.17","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","norcantharidine - 2-aminoethanol","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(2-Hydroxyethyl)-3a,4,5,6,7,7a-hexahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","0.5","YO3069","Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang","Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism","Acta Crystallographica Section C","2020","76","1","75","86","10.1107/S2053229619016164","","","1.54184","CuKα","","0.0588","0.0448","","","0.0899","0.099","","","","","","1.067","","","","has coordinates,has Fobs","246407","2020-10-21","18:00:00",""
"2021937","16.908","0.0011","8.432","0.0006","34.872","0.003","90","","102.782","0.002","90","","4848.4","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[tris{μ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[μ~3~-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]","","- C96 H86 N20 O17 Zn3 -","- C96 H84 N20 O17 Zn3 -","- C192 H168 N40 O34 Zn6 -","2","1","QF3030","Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua","A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties","Acta Crystallographica Section C","2020","76","1","10","16","10.1107/S2053229619015547","","","0.71073","MoKα","","0.0635","0.058","","","0.1575","0.1616","","","","","","1.083","","","","has coordinates","246408","2020-10-21","18:00:00",""
"2021938","18.632","0.003","19.933","0.003","4.3095","0.0006","90","","90","","90","","1600.5","0.4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(5-amino-1,2,4-triazol-3-yl)methane","","- C5 H8 N8 -","- C5 H8 N8 -","- C40 H64 N64 -","8","0.5","QS3089","Li, Hongya; Yan, Biao; Ma, Haixia; Sun, Zhiyong; Ma, Yajun; Zhang, Zhifang","Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane","Acta Crystallographica Section C","2020","76","1","64","68","10.1107/S2053229619016231","","","0.71073","MoKα","","0.0314","0.0284","","","0.0666","0.0681","","","","","","1.074","","","","has coordinates,has Fobs","246409","2020-10-21","18:00:00",""
"2021939","21.086","0.002","8.0671","0.0009","15.9578","0.0018","90","","103.623","0.002","90","","2638.1","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-4,4'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II)]","","- C28 H18 Cu N4 O5 S2 -","- C28 H18 Cu N4 O5 S2 -","- C112 H72 Cu4 N16 O20 S8 -","4","0.5","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.0341","0.0294","","","0.0923","0.0954","","","","","","1.038","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021940","11.14","0.003","12.522","0.004","14.911","0.005","74.487","0.005","87.709","0.005","79.511","0.006","1970.7","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[μ-aqua-bis[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-4,4'-oxydibenzoato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>'-dicopper(II)]","","- C42 H28 Cu2 N4 O11 S2 -","- C42 H28 Cu2 N4 O11 S2 -","- C84 H56 Cu4 N8 O22 S4 -","2","1","LF3106","Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang","One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands","Acta Crystallographica Section C","2020","76","1","37","43","10.1107/S2053229619016024","","","0.71073","MoKα","","0.047","0.038","","","0.1215","0.1278","","","","","","1.042","","","","has coordinates,has Fobs","246410","2020-10-21","18:00:00",""
"2021941","7.4985","0.0005","11.3099","0.0007","14.7152","0.0007","101.142","0.005","95.336","0.005","99.286","0.006","1198.41","0.13","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua{μ~4~-1,1,2,2-tetrakis[4-(1<i>H</i>-1,2,4-triazol-1-yl)phenyl]ethylene-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate]","","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","- C50 H38 Co N12 O10 -","1","0.5","OV3134","Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing","A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","1","23","29","10.1107/S2053229619016097","","","0.71073","MoKα","","0.1072","0.0588","","","0.1124","0.1399","","","","","","1.042","","","","has coordinates,has Fobs","246411","2020-10-21","18:00:00",""
"2021942","8.3729","0.0002","8.3729","0.0002","20.0206","0.0006","90","","90","","120","","1215.51","0.05","293","2","293","2","","","","","","","","5","P 32","P 32","145","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0473","0.0363","","","0.0867","0.0929","","","","","","1.041","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021943","8.3735","0.0003","8.3735","0.0003","20.0299","0.0008","90","","90","","120","","1216.25","0.08","293","2","293","2","","","","","","","","5","P 31","P 31","144","","<i>N</i>-(2,6-Dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-\ benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C51 H48 N6 O12 S3 -","3","1","KU3258","Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina","Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam","Acta Crystallographica Section C","2020","76","1","69","74","10.1107/S2053229619016450","","","0.71073","MoKα","","0.0599","0.0445","","","0.092","0.102","","","","","","1.001","","","","has coordinates,has Fobs","246412","2020-10-21","18:00:00",""
"2021944","10.645","0.003","19.161","0.009","11.503","0.003","90","","93.75","0.02","90","","2341.2","1.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-NMe~2~","","- C49 H61 N5 O9 -","- C49 H61 N5 O9 -","- C98 H122 N10 O18 -","2","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1376","0.0754","","","0.1893","0.2175","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021945","10.388","0.004","12.756","0.006","21.624","0.005","90","","93.55","0.03","90","","2859.9","1.9","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Pms-Aib-(<i>S</i>)-Pms-Aib-NMe~2~","","- C28 H37 N3 O6 -","- C28 H37 N3 O6 -","- C112 H148 N12 O24 -","4","2","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1219","0.0522","","","0.1231","0.1485","","","","","","1.035","","","","has coordinates,has Fobs","246413","2020-10-21","18:00:00",""
"2021946","9.937","0.005","18.319","0.007","16.436","0.003","90","","90.19","0.03","90","","2992","2","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>S</i>,<i>R</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~/(<i>R</i>,<i>S</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~ (1:1)","","- C32 H41 N3 O6 -","- C32 H41 N3 O6 -","- C128 H164 N12 O24 -","4","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1365","0.0695","","","0.174","0.2045","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021947","18.922","0.005","18.3","0.003","8.072","0.006","90","","90","","90","","2795","2","173","1","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>R</i>,<i>S</i>)-Mns-Acp-(<i>S</i>,<i>R</i>)-Mns-Acp-NMe~2~","","- C30 H37 N3 O6 -","- C30 H37 N3 O6 -","- C120 H148 N12 O24 -","4","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1567","0.0551","","","0.1245","0.1609","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021948","15.3994","0.0002","11.5152","0.0001","7.8087","0.0001","90","","90","","90","","1384.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2,6-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.0403","0.0346","","","0.0908","0.097","","","","","","0.842","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021949","8.517","0.0002","10.019","0.0002","32.323","0.0007","90","","90","","90","","2758.18","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound X","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","","0.71073","MoKα","","0.0655","0.0434","","","0.0862","0.0953","","","","13.639","13.639","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021950","19.3892","0.0003","6.1746","0.0001","12.6588","0.0002","90","","100.87","0.001","90","","1488.33","0.04","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol <i>N</i>-oxide monohydrate","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.05","0.0406","","","0.0977","0.1041","","","","","","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021951","8.2608","0.0008","14.0676","0.0013","11.5967","0.0011","90","","97.9839","0.0016","90","","1334.6","0.2","10","2","10","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0357","0.0338","","","0.0854","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021952","8.2788","0.0003","14.0816","0.0006","11.6343","0.0005","90","","98.0814","0.0007","90","","1342.84","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.027","0.0251","","","0.0593","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021953","8.3188","0.0004","14.1117","0.0006","11.6994","0.0005","90","","98.3222","0.0007","90","","1358.96","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)(NO)](ClO4).2(CH3CN)","(<i>N</i>-{2-[Bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate","","- C24 H26 Cl Mn N8 O6 -","- C24 H26 Cl Mn N8 O6 -","- C48 H52 Cl2 Mn2 N16 O12 -","2","1","OP3001","Olmstead, Marilyn M.","Bond length of perchlorate at different temperatures: X-ray and neutron comparison","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000388","","","0.71073","MoKα","","0.0332","0.0296","","","0.0698","0.0717","","","","","","1.038","","","","has coordinates,has Fobs","246946","2020-10-21","18:00:00",""
"2021954","7.134","0.003","9.882","0.003","10.3","0.004","90","","100.484","0.004","90","","714","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]cobalt(II)]","","- C12 H10 Co N6 O6 -","- C12 H10 Co N6 O6 -","- C24 H20 Co2 N12 O12 -","2","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0782","0.0484","","","0.1085","0.1222","","","","","","1.047","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021955","7.3533","0.0011","7.9541","0.0012","8.1396","0.0012","65.416","0.002","88.89","0.002","69.788","0.002","401.92","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]nickel(II)] dihydrate]","","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","- C12 H14 N6 Ni O8 -","1","0.5","LF3111","Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia","Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid","Acta Crystallographica Section C Structural Chemistry","2020","76","2","","","10.1107/S2053229620000248","","","0.71073","MoKα","","0.0384","0.0325","","","0.0708","0.0735","","","","","","1.055","","","","has coordinates,has Fobs","246947","2020-10-21","18:00:00",""
"2021956","15.7712","0.001","13.0392","0.0008","13.0556","0.0008","90","","90","","90","","2684.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","6-Amino-7<i>H</i>-purine-1,9-diium tetrachloridogold(III) chloride monohydrate","","- C5 H9 Au Cl5 N5 O -","- C5 H9 Au Cl5 N5 O -","- C40 H72 Au8 Cl40 N40 O8 -","8","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0217","0.0195","","","0.0377","0.0383","","","","","","1.054","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021957","8.1408","0.0002","11.9063","0.0004","12.4678","0.0004","84.918","0.002","84.475","0.002","85.649","0.001","1195.35","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-6-oxo-6,7-dihydro-1<i>H</i>-purin-9-ium tetrachloridogold(III) hemihydrate","","- C5 H7 Au Cl4 N5 O1.5 -","- C5 H7 Au Cl4 N5 O1.5 -","- C20 H28 Au4 Cl16 N20 O6 -","4","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0326","0.0266","","","0.0637","0.0661","","","","","","1.035","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2021958","8.288","0.0004","14.3767","0.0007","10.2288","0.0006","90","","104.514","0.005","90","","1179.91","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0343","0.0297","","","0.0735","0.0754","","","","","","1.001","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021959","8.2888","0.0005","14.3618","0.0007","10.2195","0.0007","90","","104.509","0.007","90","","1177.75","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]","","- C24 H24 N4 O6 Zn -","- C24 H24 N4 O6 Zn -","- C48 H48 N8 O12 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0341","0.0299","","","0.0734","0.0752","","","","","","1.024","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021960","9.0631","0.0008","11.8412","0.0007","11.6382","0.001","90","","112.456","0.01","90","","1154.28","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0729","0.0754","","","","","","0.974","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021961","9.0571","0.0006","11.8439","0.0006","11.6393","0.0007","90","","112.441","0.008","90","","1154.01","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)]","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C48 H44 N8 O10 Zn2 -","2","1","JX3053","Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng","Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000182","","x-ray","0.71073","MoKα","","0.029","0.0265","","","0.0691","0.0703","","","","","","1.051","","","","has coordinates,has Fobs","246949","2020-10-21","18:00:00",""
"2021962","12.188","0.001","15.6516","0.001","22.7466","0.0019","90","","95.989","0.003","90","","4315.5","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}bis(μ~2~-glutarato)dinickel(II)] monohydrate]","","- C42 H54 N8 Ni2 O11 -","- C42 H54 N8 Ni2 O11 -","- C168 H216 N32 Ni8 O44 -","4","0.5","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0451","0.0366","","","0.0891","0.0945","","","","","","1.053","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021963","9.6488","0.0005","17.7245","0.0012","14.9109","0.001","90","","96.47","0.002","90","","2533.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ~2~-1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~2~-glutarato)zinc(II)] tetrahydrate]","","- C21 H32 N4 O8 Zn -","- C21 H32 N4 O8 Zn -","- C84 H128 N16 O32 Zn4 -","4","1","DG3002","Zhao, Fang-Hua; Li, Zhong-Lin; Zhang, Shu-Fang; Han, Jian-Hui; Zhang, Mei; Han, Jun; Lin, Yu-Wen; You, Jin-Mao","Two new Ni^II^ and Zn^II^ metal‒organic frameworks of glutarate and 1,4-bis[(2-methyl-1<i>H</i>-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000042","","","0.71073","MoKα","","0.0484","0.0348","","","0.0783","0.0849","","","","","","1.047","","","","has coordinates,has Fobs","246950","2020-10-21","18:00:00",""
"2021964","14.8316","0.0002","15.2679","0.0001","23.237","0.0002","89.1396","0.0007","78.1097","0.0007","75.4959","0.0008","4981.24","0.09","95","0.6","95","","","","","","","","","6","P -1","-P 1","2","","Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate","","- C59.5 H76.5 Mo10 N8.5 O60.029 P4 -","- C63 H90 Mo10 N9 O58 P4 -","- C126 H180 Mo20 N18 O116 P8 -","2","1","YD3001","Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor","Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619015596","","x-ray","1.54184","CuKα","","0.0958","0.0828","","","0.2124","0.2187","","","","2.93","2.93","2.74","","","","has coordinates,has Fobs","246997","2020-10-21","18:00:00",""
"2021965","20.089","0.003","11.1502","0.0017","21.972","0.003","90","","97.945","0.005","90","","4874.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-(Acetonitrile-κ<i>N</i>)(3-aminopyridine-κ<i>N</i>)[2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I) hexafluoridophosphate dichloromethane monosolvate","","- C52 H43 Cl2 Cu F6 N3 P3 -","- C52 H43 Cl2 Cu F6 N3 P3 -","- C208 H172 Cl8 Cu4 F24 N12 P12 -","4","1","OV3136","Wang, Dan-Dan; Wang, Jian-Teng; Song, Li; Wang, You-Yu; Chai, Wen-Xiang","A new heteroleptic phosphorescent cuprous complex supported by a BINAP ligand: synthesis, structure, luminescence properties and theoretical analyses","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000601","","","0.71073","MoKα","","0.0714","0.0579","","","0.1697","0.1837","","","","","","1.033","","","","has coordinates,has Fobs","247405","2020-10-21","18:00:00",""
"2021966","7.49","0.0015","9.42","0.0019","9.6533","0.0019","117.97","0.03","93.19","0.03","99.12","0.03","587.3","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)] dihydrate]","","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","- C20 H16 Eu2 N4 O16 -","1","0.5","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0452","0.0387","","","0.0747","0.0795","","","","","","1.104","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021967","6.961","0.0007","7.9482","0.0009","10.9901","0.0013","101.579","0.004","106.761","0.004","95.588","0.004","562.51","0.11","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","Poly[(μ~3~-1<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^5^<i>O</i>^5^:<i>O</i>^5'^,<i>O</i>^6^:<i>O</i>^6^,<i>O</i>^6'^)(μ~3~-sulfato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')europium(III)]","","- C9 H5 Eu N2 O8 S -","- C9 H5 Eu N2 O8 S -","- C18 H10 Eu2 N4 O16 S2 -","2","1","JX3052","Zheng, Wenxu; Wu, Kechen","Anion-directed assemblies of europium(III) coordination polymers based on 1<i>H</i>-benzimidazole-5,6-dicarboxylate: structures and luminescence properties","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229620000637","","","0.71073","MoKα","","0.0343","0.0278","","","0.0555","0.0583","","","","","","1.111","","","","has coordinates,has Fobs","247406","2020-10-21","18:00:00",""
"2021968","7.185","0.003","12.917","0.006","13.697","0.006","90","","90","","90","","1271.2","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0434","0.0416","","","0.1149","0.1165","","","","","","1.107","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021969","6.4847","0.0001","13.6853","0.0003","7.1462","0.0001","90","","95.6583","0.0008","90","","631.1","0.019","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0462","0.0389","","","0.1006","0.1046","","","","","","1.068","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2021970","19.4132","0.0008","13.7057","0.0007","7.1809","0.0007","90","","91.775","0.001","90","","1909.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C84 H108 N12 O24 -","12","3","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0647","0.0472","","","0.1167","0.1259","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","247437","2020-10-21","18:00:00",""
"2021972","8.15","0.002","8.15","0.003","13.092","0.003","90","","90","","120","","753.1","0.4","297","2","297","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8.0016 H20.004 N1.0002 Re S4 -","- C16.0032 H40.008 N2.0004 Re2 S8 -","2","0.166667","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0333","0.0208","","","0.0429","0.0475","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","247978","2020-10-21","18:00:00",""
"2021973","24.17","0.003","24.17","0.003","12.916","0.002","90","","90","","120","","6534.5","1.5","109.9","0.3","109.9","0.3","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C144 H360 N18 Re18 S72 -","18","3","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0354","0.0283","","","0.0452","0.0481","","","","","","1.048","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021974","7.9","0.002","12.842","0.003","8.118","0.002","90","","119.04","0.02","90","","720","0.3","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetraethylammonium tetrathiorhenate","","- C8 H20 N Re S4 -","- C8 H20 N Re S4 -","- C16 H40 N2 Re2 S8 -","2","1","EF3002","Bernhardt, Eduard; Herbst-Irmer, Regine","Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]","Acta Crystallographica Section C","2020","76","3","","","10.1107/S205322961901725X","","","0.71073","MoKα","","0.0525","0.0519","","","0.136","0.1378","","","","","","1.085","","","","has coordinates,has Fobs","247978","2020-10-21","18:00:00",""
"2021975","14.7387","0.0004","16.6445","0.0003","17.897","0.0004","84.662","0.002","73.498","0.002","68.886","0.002","3926.8","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4,10-Dimethoxy-13-(pyridin-3-yl)-6<i>H</i>,12<i>H</i>-6,12-epiminodibenzo[<i>b</i>,<i>f</i>][1,5]dithiocine methanol 0.463-solvate","","- C21.46 H19.85 N2 O2.46 S2 -","- C21.4635 H19.854 N2 O2.4635 S2 -","- C171.708 H158.832 N16 O19.708 S16 -","8","4","EP3003","Mambourg, Kalina; Bodart, Laurie; Tumanov, Nikolay; Lanners, Steve; Wouters, Johan","Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin","Acta Crystallographica Section C Structural Chemistry","2020","76","3","","","10.1107/S2053229620000996","","","1.54184","CuKα","","0.0398","0.0357","","","0.0977","0.1021","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","247979","2020-10-21","18:00:00",""
"2021976","8.5168","0.0003","6.6031","0.0002","23.3468","0.0007","90","","90.737","0.003","90","","1312.85","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxy-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0508","0.0483","","","0.1105","0.1122","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021977","12.7692","0.0002","8.5258","0.0001","23.182","0.0003","90","","90","","90","","2523.77","0.06","100","0.1","100","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-(4-Methoxyphenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.063","0.0559","","","0.1368","0.1436","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021978","16.7561","0.0003","8.0448","0.0001","21.3319","0.0004","90","","110.138","0.002","90","","2699.74","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Methoxyphenyl)-6-methyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0507","0.0435","","","0.1026","0.1075","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021979","6.476","0.0002","16.2902","0.0004","11.6755","0.0004","90","","97.953","0.003","90","","1219.86","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0285","0.0274","","","0.0722","0.0732","","","","","","1.058","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021980","15.2121","0.0007","8.7614","0.0002","20.726","0.0006","90","","92.458","0.003","90","","2759.81","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Bromo-6-methyl-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C128 H104 Br8 O16 -","8","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0589","0.0427","","","0.0863","0.0951","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","247980","2020-10-21","18:00:00",""
"2021981","25.297","0.002","4.0469","0.0002","12.639","0.0016","90","","90","","90","","1293.9","0.2","100","1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0287","0.0279","","","0.0769","0.0775","","","","","","1.05","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021982","3.9413","0.0002","17.3664","0.0008","17.236","0.0009","90","","94.504","0.005","90","","1176.1","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","2","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0341","0.0299","","","0.0706","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2021983","9.7038","0.0003","10.5386","0.0001","15.3898","0.0004","90","","129.196","0.004","90","","1219.7","0.09","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine","4,6-Diamino-1,2-dihydropyrimidine-2-thione","","- C4 H6 N4 S -","- C4 H6 N4 S -","- C32 H48 N32 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","","1.54184","CuKα","","0.0368","0.0357","","","0.1035","0.1044","","","","","","1.133","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021984","9.7682","0.0006","13.3671","0.0013","16.5201","0.0014","90","","99.03","0.007","90","","2130.3","0.3","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Aminothiocytosine dimethylformamide monosolvate","4,6-Diamino-1,2-dihydropyrimidine-2-thione dimethylformamide monosolvate","","- C7 H13 N5 O S -","- C7 H13 N5 O S -","- C56 H104 N40 O8 S8 -","8","2","SK3742","Grześkiewicz, Anita M.; Ostrowska, Agata; Kubicki, Maciej","Solvent influence on the crystal packing of 6-aminothiocytosine","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001692","","x-ray","1.54184","CuKα","","0.1073","0.0869","","","0.2117","0.2243","","","","","","1.104","","","","has coordinates,has Fobs","248147","2020-10-21","18:00:00",""
"2021985","8.5495","0.0007","11.055","0.0007","12.5947","0.0007","76.143","0.005","73.11","0.006","81.533","0.006","1102.02","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Penta-μ-acetato-bis(μ~2~-2-{[2-(6-chloropyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)-μ-formato-tetramanganese(II)","","- C37.17 H38.34 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","- C37.168 H38.336 Cl2 Mn4 N6 O16 -","1","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1016","0.0536","","","0.1078","0.1356","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","248148","2020-10-21","18:00:00",""
"2021986","14.6015","0.0004","19.1875","0.0007","8.2747","0.0003","90","","98.376","0.003","90","","2293.56","0.13","289","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexa-μ~2~-acetato-bis(μ~2~-2-{[2-(6-bromopyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)tetramanganese(II)","","- C38 H40 Br2 Mn4 N6 O16 -","- C38 H40 Br2 Mn4 N6 O16 -","- C76 H80 Br4 Mn8 N12 O32 -","2","0.5","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.0575","0.0439","","","0.1119","0.1228","","","","","","1.009","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021987","8.5288","0.0014","31.321","0.003","9.2665","0.0013","90","","110.631","0.017","90","","2316.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[μ~2~-acetato-acetatoaqua(μ~2~-2-{[2-(6-chloropyridin-\ 2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)dimanganese(II)]-μ~2~-acetato]","","- C19 H22 Cl Mn2 N3 O9 -","- C19 H22 Cl Mn2 N3 O9 -","- C76 H88 Cl4 Mn8 N12 O36 -","4","1","JX3055","Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua","Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001850","","x-ray","0.71073","MoKα","","0.1731","0.0917","","","0.2128","0.2859","","","","","","1.016","","","","has coordinates","248148","2020-10-21","18:00:00",""
"2021988","12.3564","0.0018","6.5165","0.0007","9.9337","0.0011","90","","90","","90","","799.87","0.17","200","","200","","","","","","","","","4","P b a m","-P 2 2ab","55","","Magnesium carbonate hexahysrate","","- C2 H24 Mg2 O18 -","- C2 H24 Mg2 O18 -","- C4 H48 Mg4 O36 -","2","0.25","LG3251","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001540","","","0.71073","MoKα","","0.0356","0.0287","","","0.0796","0.0854","","","","","","1.178","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2021989","11.417","0.0006","12.6782","0.0006","13.2102","0.0007","90","","90","","90","","1912.14","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O12 -","- C15 H29 N O12 -","- C60 H116 N4 O48 -","4","1","OP3003","Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001515","","","1.54178","CuKα","","0.0453","0.0436","","","0.1147","0.1174","","","","","","1.05","","","","has coordinates,has Fobs","248364","2020-10-21","18:00:00",""
"2021990","9.1944","0.0001","8.3134","0.0001","9.3798","0.0002","90","","98.924","0.001","90","","708.282","0.019","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium manganese pyrophosphate hydrate","Dipotassium trimanganese dipyrophosphate dihydrate","","- H4 K2 Mn3 O16 P4 -","- H4 K2 Mn3 O16 P4 -","- H8 K4 Mn6 O32 P8 -","2","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0271","0.0233","","","0.0497","0.0511","","","","","","1.075","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021991","13.3117","0.0003","10.0949","0.0002","8.7261","0.0002","90","","108.057","0.002","90","","1114.86","0.04","152","5","152","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Potassium manganese aluminium phosphate hydrate","Potassium manganese dialuminium triphosphate dihydrate","","- Al2 H4 K Mn O14 P3 -","- Al2 H4 K Mn O14 P3 -","- Al8 H16 K4 Mn4 O56 P12 -","4","0.5","FN3331","Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V.","Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002466","","","0.71073","MoKα","","0.0161","0.0156","","","0.047","0.0472","","","","","","1.137","","","","has coordinates,has Fobs","248485","2020-10-21","18:00:00",""
"2021992","8.7163","0.0003","11.1146","0.0004","14.0703","0.0005","105.54","0.002","94.63","0.002","108.581","0.002","1224.06","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H19 Cl3 Co N4 O1.5 -","- C4 H19 Cl3 Co N4 O1.5 -","- C16 H76 Cl12 Co4 N16 O6 -","4","2","DG3005","Bernal, Ivan; Lalancette, Roger A.","Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl~2~(en)~2~]^+^ salts demanded his octahedral model was correct. True?","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620002272","","","1.54178","CuKα","","0.0432","0.0381","","","0.0934","0.0972","","","","","","1.047","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:40",""
"2021994","8.1958","0.0005","8.4184","0.0005","10.5965","0.0006","97.006","0.005","104.543","0.005","91.138","0.005","701.43","0.07","293","2","293","","","","","","","","","4","P -1","-P 1","2","","2-{[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]methyl}-1<i>H</i>-benzimidazol-3-ium chloride","","- C11 H9 Cl3 N6 -","- C11 H9 Cl3 N6 -","- C22 H18 Cl6 N12 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0504","0.0346","","","0.0769","0.0872","","","","","","1.06","","","","has coordinates,has Fobs","249179","2020-10-21","18:00:00",""
"2021995","12.8675","0.0004","14.1487","0.0005","16.5184","0.0006","75.57","0.003","78.737","0.003","64.33","0.003","2611.81","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-{[(6-chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]bis(methylene)}bis(1<i>H</i>-benzimidazol-3-ium)) tetrachloride heptahydrate","","- C38 H45.75 Cl6.04 N18 O7.93 -","- C38 H45.752 Cl6.038 N18 O7.938 -","- C76 H91.504 Cl12.076 N36 O15.876 -","2","1","SK3746","Patricio-Rangel, Emmanuel Blas; Tlahuextl, Margarita; Tlahuext, Hugo; Tapia-Benavides, Antonio Rafael","Synthesis and crystallographic studies of two new 1,3,5-triazines","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620002508","","","0.71073","MoKα","","0.0888","0.0574","","","0.1506","0.1787","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","249179","2020-10-21","18:00:00",""
"2021996","6.4917","0.0003","17.5357","0.0007","22.2418","0.0008","90","","90","","90","","2531.93","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-fluorenyl-methylen-xycarbonyl-O-tert-butyl-N-methyl-tyrosine; Fmoc-N-Me-Tyr(t-Bu)-OH","2-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-{4-[(2-hydroxypropan-2-yl)oxy]phenyl}propanoic acid","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","1","QP3039","Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M.","Synthesis, experimental and <i>in silico</i> studies of <i>N</i>-fluorenylmethoxycarbonyl-<i>O</i>-<i>tert</i>-butyl-<i>N</i>-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003009","","","0.71073","MoKα","","0.0338","0.0318","","","0.0886","0.0912","","","","","","0.985","","","","has coordinates,has Fobs","249270","2020-10-21","18:00:00",""
"2021997","7.0301","0.0003","17.1705","0.0008","18.8369","0.0009","90","","90","","90","","2273.81","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3'-Fluoro-3'-deoxy-5-methyluridine","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","2","WP3002","Aher, Manisha N.; Erande, Namrata D.; Kumar, Vaijayanti A.; Fernandes, Moneesha; Gonnade, Rajesh G.","Influence of fluorine substitution on the molecular conformation of 3'-deoxy-3'-fluoro-5-methyluridine","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003083","","","0.71073","MoKα","","0.0306","0.0287","","","0.0661","0.0672","","","","","","1.102","","","","has coordinates","249351","2020-10-21","18:00:00",""
"2021998","14.808","0.0002","15.697","0.0002","14.977","0.0002","90","","114.482","0.001","90","","3168.28","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(2-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C144 H128 N16 O8 Se8 -","8","2","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0346","0.0255","","","0.0599","0.064","","","","","","1.022","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2021999","9.467","0.0006","10.307","0.0007","16.615","0.0009","90","","106.887","0.004","90","","1551.32","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(3-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0738","0.0498","","","0.0927","0.0998","","","","15.23","15.23","1.105","","","","has coordinates,has Fobs","249908","2020-10-21","18:00:00",""
"2022000","12.733","0.0003","8.95","0.0002","14.1399","0.0005","90","","101.862","0.002","90","","1576.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(4-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 O Se -","- C18 H16 N2 O Se -","- C72 H64 N8 O4 Se4 -","4","1","QS3091","Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar","Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2020","76","4","359","366","10.1107/S2053229620004040","","","0.71073","MoKα","","0.0445","0.0392","","","0.1016","0.1065","","","","12.971","12.971","1.033","","","","has coordinates","249908","2020-10-21","18:00:00",""
"2022001","17.4164","0.001","26.2567","0.0015","20.0775","0.0012","90","","114.401","0.001","90","","8361.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[1,4-bis(pyridin-4-yl)benzene](μ~3~-3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoato)zinc(II)] 1,4-bis(pyridin-4-yl)benzene]","","- C54 H40 N4 O6 Zn -","- C54 H40 N4 O6 Zn -","- C432 H320 N32 O48 Zn8 -","8","1","QS3090","Xue, Yun-Shan; Cheng, Wei-Wei; Chen, Zhuo-Lin; Kong, Weili; Zhang, Jun","A novel three-dimensional zinc(II) coordination polymer based on 3,3'-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid and 1,4-bis(pyridin-4-yl)benzene: synthesis, crystal structure and photocatalytic properties","Acta Crystallographica Section C","2020","76","4","353","358","10.1107/S2053229620004052","","x-ray","0.71073","MoKα","","0.032","0.0284","","","0.0723","0.0743","","","","","","1.033","","","","has coordinates,has Fobs","249909","2020-10-21","18:00:00",""
"2022003","11.8658","0.0007","5.4786","0.0003","16.7291","0.0009","90","","97.296","0.002","90","","1078.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tinidazole","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole","","- C8 H13 N3 O4 S -","- C8 H13 N3 O4 S -","- C32 H52 N12 O16 S4 -","4","1","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0371","0.0318","","","0.0787","0.0816","","","","","","1.045","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022004","11.1206","0.0005","12.6519","0.0006","13.6042","0.0006","98.078","0.001","97.793","0.001","99.78","0.001","1842.42","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tinidazole‒vanillic acid (1/1)","1-(2-Ethylsulfonylethyl)-2-methyl-5-nitroimidazole; 4-hydroxy-3-methoxybenzoic acid","","- C16 H21 N3 O8 S -","- C16 H21 N3 O8 S -","- C64 H84 N12 O32 S4 -","4","2","DG3004","Zheng, Kang; Xie, Changjian; Li, Xiaowei; Wu, Weiwei; Li, Ao; Qian, Shaosong; Pang, Qiuxiang","Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole‒vanillic acid cocrystal: insights from energy frameworks","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004180","","","0.71073","MoKα","","0.0495","0.039","","","0.0993","0.1055","","","","","","1.031","","","","has coordinates,has Fobs","250534","2020-10-21","18:00:00",""
"2022005","11.8772","0.0003","17.2089","0.0004","8.4838","0.0002","90","","109.022","0.0006","90","","1639.35","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C21 H13 F2 N3 O -","- C21 H13 F2 N3 O -","- C84 H52 F8 N12 O4 -","4","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0507","0.0417","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022006","21.0396","0.0003","7.941","0.0001","22.5109","0.0003","90","","100.899","0.0007","90","","3693.18","0.09","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2',6'-Dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","LF3112","Park, Ki-Min; Yang, Kiyull; Moon, Suk-Hee; Kang, Youngjin","Structures and photophysical properties of two luminescent bipyridine compounds: 2',6'-difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine and 2',6'-dimethoxy-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004301","","","0.71073","MoKα","","0.0535","0.0431","","","0.1068","0.1143","","","","","","1.034","","","","has coordinates,has Fobs","250535","2020-10-21","18:00:00",""
"2022083","8.8994","0.0005","8.8994","0.0005","11.375","0.0011","90","","90","","90","","900.89","0.11","303","1","303","1","","","","","","","","5","P 43","P 4cw","78","","Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","","- C6 H10 Cu2 N4 O -","- C6 H10 Cu2 N4 O -","- C24 H40 Cu8 N16 O4 -","4","1","OP3005","Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.","Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004477","","","0.7107","MoKα","","0.0281","0.0248","","","0.0476","0.0483","","","","","","1.079","","","","has coordinates,has Fobs","250918","2020-10-21","18:00:00",""
"2022084","17.1976","0.001","16.7629","0.0009","16.3162","0.001","90","","90","","90","","4703.7","0.5","295","","295","","","","","","","","","5","I b c a","-I 2b 2c","73","","Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]","","- C23 H20 Co N4 O5 -","- C23 H20 Co N4 O5 -","- C184 H160 Co8 N32 O40 -","8","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0404","0.0316","","","0.0921","0.0964","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","250919","2020-10-21","18:00:00",""
"2022085","8.0331","0.0004","17.6045","0.0011","17.6523","0.0009","90","","98.077","0.004","90","","2471.6","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]dicobalt(II)]","","- C54 H42 Co2 N12 O10 -","- C54 H42 Co2 N12 O10 -","- C108 H84 Co4 N24 O20 -","2","0.5","ZO3003","Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue","3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004970","","x-ray","0.71073","MoKα","","0.0628","0.0391","","","0.085","0.0966","","","","","","1.031","","","","has coordinates,has Fobs","250919","2020-10-21","18:00:00",""
"2022086","9.0061","0.0007","10.3811","0.0008","11.683","0.0009","82.848","0.007","84.322","0.007","67.522","0.008","999.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis[5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II)","","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","- C42 H40 Fe N10 O6 S2 -","1","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.0529","0.0411","","","0.1027","0.1105","","","","","","1.029","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022087","8.3685","0.0005","17.9701","0.001","14.8291","0.0011","90","","103.411","0.007","90","","2169.2","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis[μ-5-methyl-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ^2^<i>N</i>:<i>N</i>']] methanol disolvate dihydrate]","","- C42 H44 Fe N10 O8 S2 -","- C42 H44 Fe N10 O8 S2 -","- C84 H88 Fe2 N20 O16 S4 -","2","0.5","LF3116","Hao, Xiaoyun; Dou, Yong; Cao, Tong; Qin, Lan; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng; Zhou, Zhen","Tuning of crystallization method and ligand conformation to give a mononuclear compound or two-dimensional SCO coordination polymer based on a new semi-rigid V-shaped bis-pyridyl bis-amide ligand","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004854","","","0.71073","MoKα","","0.078","0.0639","","","0.1582","0.1686","","","","","","1.066","","","","has coordinates,has Fobs","250920","2020-10-21","18:00:00",""
"2022088","13.54","0.0007","14.0473","0.0006","22.0478","0.0012","90","","102.895","0.005","90","","4087.7","0.4","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~3~-4-[(4-carboxy-3-carboxylatophenyl)dimethylsilyl]benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3'^}-tris(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)trinickel(II)] methanol tetrasolvate]","","- C70 H114 N12 Ni3 O20 Si2 -","- C70 H114 N12 Ni3 O20 Si2 -","- C140 H228 N24 Ni6 O40 Si4 -","2","0.5","QF3038","Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D.","A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4'-(dimethylsilanediyl)diphthalate(3‒) linker","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005008","","","0.71073","MoKα","","0.1134","0.0683","","","0.1138","0.1295","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","250977","2020-10-21","18:00:00",""
"2022089","14.6563","0.0008","19.718","0.0009","7.2197","0.0005","90","","90","","94.0997","0.0017","2081.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1 (c,2*a+c,b)","-P 2ybc (-1/2*x+z,1/2*x,y)","14","sodium sulfite heptahydrate","Sodium sulfite heptahydrate","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H112 Na16 O80 S8 -","8","","EP3004","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates,has Fobs","250978","2020-10-21","18:00:00",""
"2022090","11.8576","0.0008","7.2197","0.0005","12.6965","0.0009","90","","106.794","0.0017","90","","1040.57","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sodium sulfite heptahydrate","","","- H14 Na2 O10 S -","- H14 Na2 O10 S -","- H56 Na8 O40 S4 -","4","1","","Weil, Matthias; Mereiter, Kurt","Sodium sulfite heptahydrate and its relation to sodium carbonate heptahydrate","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004404","","","0.71073","MoKα","","0.029","0.0226","","","0.06","0.0627","","","","","","1.057","","","","has coordinates","250979","2020-10-21","18:00:00",""
"2022091","27.2812","0.0012","6.21","0.0003","20.9742","0.0009","90","","106.931","0.001","90","","3399.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(pyrimidin-5-yl)ethyne‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C16 H6 F4 I2 N4 -","- C16 H6 F4 I2 N4 -","- C128 H48 F32 I16 N32 -","8","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0219","0.02","","","0.0492","0.0502","","","","","","1.083","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022092","10.4617","0.001","6.4681","0.0006","23.966","0.002","90","","100.069","0.001","90","","1596.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-Bipyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C14 H6 F4 I2 N4 -","- C14 H6 F4 I2 N4 -","- C56 H24 F16 I8 N16 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0335","0.0293","","","0.0502","0.0512","","","","","","1.18","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022093","6.9939","0.0005","13.64","0.001","11.2299","0.0008","90","","94.26","0.001","90","","1068.34","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","0.5","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0187","0.0178","","","0.0428","0.0433","","","","","","1.064","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022094","9.174","0.0007","14.0178","0.001","17.5605","0.0013","100.065","0.001","95.285","0.001","107.225","0.001","2098.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","2","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0245","0.0211","","","0.0483","0.0501","","","","","","1.038","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022095","9.3688","0.0006","11.4346","0.0007","12.0797","0.0007","62.075","0.001","82.31","0.001","68.234","0.001","1060.63","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C40 H26 F8 I4 N6 -","2","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0217","0.0197","","","0.0452","0.0462","","","","","","1.102","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022096","7.2512","0.0006","20.6215","0.0017","17.1906","0.0014","90","","101.166","0.001","90","","2521.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,3,4-tetrafluoro-5,6-diiodobenzene‒benzene (1/1/1)","","- C26 H19 F4 I2 N3 -","- C26 H19 F4 I2 N3 -","- C104 H76 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0413","0.0316","","","0.0737","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022097","9.0191","0.0018","26.805","0.005","9.5664","0.0019","90","","112.052","0.003","90","","2143.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","","- C20 H13 F4 I2 N3 -","- C20 H13 F4 I2 N3 -","- C80 H52 F16 I8 N12 -","4","1","FN3332","Nwachukwu, Chideraa I.; Patton, Leanna J.; Bowling, Nathan P.; Bosch, Eric","Ditopic halogen bonding with bipyrimidines and activated pyrimidines","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005082","","","0.71073","MoKα","","0.0612","0.0557","","","0.1446","0.1472","","","","","","1.132","","","","has coordinates,has Fobs","250980","2020-10-21","18:00:00",""
"2022098","6.091","0.0013","17.016","0.004","10.707","0.002","90","","90.581","0.005","90","","1109.7","0.4","120.15","","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-Phenyl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0959","0.0698","","","0.1929","0.2076","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","251175","2020-10-21","18:00:00",""
"2022099","10.143","0.002","11.703","0.003","10.776","0.003","90","","107.84","0.03","90","","1217.6","0.6","295","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8a-(4-Methylphenyl)-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","OV3138","Grinev, Vyacheslav S.; Linkova, Elena I.; Krainov, Mikhail N.; Dmitriev, Maksim V.; Yegorova, Alevtina Yu.","Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-<i>a</i>]pyrimidin-6(1<i>H</i>)-ones","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620005409","","x-ray","0.71073","MoKα","","0.0657","0.0498","","","0.1213","0.135","","","","","","1.035","","","","has coordinates,has Fobs","251175","2020-10-21","18:00:00",""
"2022100","9.251","0.002","9.516","0.002","13.217","0.004","90","","90.06","0.02","90","","1163.5","0.5","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium carnallite","Potassium chloride magnesium dichloride hexahydrate","","- Cl3 H12 K Mg O6 -","- Cl3 H12 K Mg O6 -","- Cl12 H48 K4 Mg4 O24 -","4","0.5","UK3195","Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang","Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family","Acta Crystallographica Section C","2020","76","5","507","512","10.1107/S2053229620005197","","","0.71073","MoKα","","0.045","0.0347","","","0.0882","0.0961","","","","","","1.206","","","","has coordinates,has Fobs","251302","2020-10-21","18:00:00",""
"2022101","8.647","0.003","8.819","0.003","10.125","0.002","70.58","0.02","79.61","0.03","75.26","0.03","700.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquacopper(II)]-bis[μ-2-(pyridin-4-yl)quinoline-4-carboxylato]-κ^2^<i>N</i>^2^,<i>O</i>;κ^2^<i>O</i>,<i>N</i>]","","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","- C30 H26 Cu N4 O8 -","1","0.5","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.0793","0.0533","","","0.0984","0.1078","","","","","","0.997","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022102","8.402","0.003","13.243","0.003","24.421","0.003","90","","95.08","0.03","90","","2706.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Carboxyquinolin-2-yl)pyridinium chloride monohydrate","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","2","EF3006","Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej","A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine","Acta Crystallographica Section C","2020","76","5","500","506","10.1107/S2053229620004593","","","0.71073","MoKα","","0.1157","0.0569","","","0.1034","0.1109","","","","","","1.066","","","","has coordinates,has Fobs","251303","2020-10-21","18:00:00",""
"2022103","9.1086","0.0002","6.3149","0.0002","11.0428","0.0003","90","","95.585","0.001","90","","632.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","7-Iodo-5-aza-7-deazaguanosine","","- C10 H12 I N5 O5 -","- C10 H12 I N5 O5 -","- C20 H24 I2 N10 O10 -","2","1","YF3200","Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization","Acta Crystallographica Section C","2020","76","5","513","523","10.1107/S2053229620004684","","","1.54178","CuKα","","0.037","0.0361","","","0.0964","0.097","","","","","","1.07","","","","has coordinates,has Fobs","251304","2020-10-21","18:00:00",""
"2022104","12.8308","0.0006","21.3307","0.0012","4.6463","0.0002","90","","90","","90","","1271.65","0.11","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0637","0.0333","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022105","10.6731","0.0002","18.0023","0.0005","6.547","0.0002","90","","90","","90","","1257.94","0.06","120","2","120","2","","","","","","","","6","","P 2ac 2ab (x,y,z+1/4)","19","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C8 H6 F4 I2 O S -","- C32 H24 F16 I8 O4 S4 -","4","","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0722","0.0428","","","0.0698","0.0775","","","","","","0.99","","","","has coordinates,has Fobs","251353","2020-10-21","18:00:00",""
"2022106","11.6799","0.0004","18.2664","0.0008","6.0984","0.0002","90","","90","","90","","1301.09","0.08","220","2","220","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,3,5,6-Tetrafluoro-1,4-diiodobenzene dimethyl sulfoxide","","- C8 H6 F4 I2 O S -","- C7.9982 H5.9952 F4 I2 O0.999 S0.9992 -","- C31.9928 H23.9808 F16 I8 O3.996 S3.9968 -","4","0.5","SK3750","Bond, Andrew D.; Truscott, Chris L.","Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene","Acta Crystallographica Section C","2020","76","5","524","529","10.1107/S2053229620005690","","","0.71073","MoKα","","0.0734","0.0382","","","0.0708","0.0824","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","251353","2020-10-21","18:00:00",""
"2022107","10.1953","0.0004","14.2866","0.0005","14.9027","0.0005","90","","103.845","0.003","90","","2107.6","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-4-ylmethylidene)-1-methylhydrazinyl]pyridine","","- C10 H11 N5 -","- C10 H11 N5 -","- C80 H88 N40 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","","0.7107","MoKα","","0.0527","0.0396","","","0.0954","0.104","","","","","","1.051","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022108","8.2711","0.0007","14.0773","0.0012","22.2655","0.0016","90","","99.373","0.008","90","","2557.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2<i>E</i>)-2-(1<i>H</i>-Imidazol-2-ylmethylidene)-1-methylhydrazinyl]-1<i>H</i>-benzimidazole monohydrate","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C96 H112 N48 O8 -","8","2","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.1007","0.0486","","","0.087","0.1018","","","","","","0.946","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022109","9.1836","0.0003","16.5814","0.0004","20.8041","0.0006","106.76","0.002","97.854","0.002","103.408","0.002","2879.43","0.15","130","1","130","1","","","","","","","","4","P -1","-P 1","2","","2-{(2<i>E</i>)-1-Methyl-2-[(1-methyl-1<i>H</i>-imidazol-2-yl)methylidene]hydrazinyl}-1<i>H</i>-benzimidazole hydrate","","- C13 H16.5 N6 O1.25 -","- C13 H16.5 N6 O1.25 -","- C104 H132 N48 O10 -","8","4","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","1.54184","CuKα","","0.055","0.0467","","","0.1295","0.1399","","","","","","1.025","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022110","8.9818","0.0005","9.5704","0.0005","21.1278","0.0012","90","","95.383","0.005","90","","1808.12","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-{(1<i>E</i>)-[2-(1<i>H</i>-1,3-Benzodiazol-2-yl)-2-methylhydrazinylidene]methyl}-1<i>H</i>-imidazol-3-ium trifluoromethanesulfonate monohydrate","","- C13 H15 F3 N6 O4 S -","- C13 H15 F3 N6 O4 S -","- C52 H60 F12 N24 O16 S4 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0761","0.0599","","","0.1554","0.1678","","","","","","1.034","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022111","12.2524","0.0005","14.0242","0.0005","11.4488","0.0005","90","","102.259","0.004","90","","1922.39","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(2<i>E</i>)-1-Methyl-2-[(1<i>H</i>-imidazol-3-ium-2-yl)methylidene]hydrazinyl}pyridinium bis(trifluoromethanesulfonate)","","- C12 H13 F6 N5 O6 S2 -","- C12 H13 F6 N5 O6 S2 -","- C48 H52 F24 N20 O24 S8 -","4","1","EF3005","Bocian, Aleksandra; Gorczyński, Adam; Marcinkowski, Dawid; Dutkiewicz, Grzegorz; Patroniak, Violetta; Kubicki, Maciej","Bases, solvates and salts: new benzimidazole- and pyridine-scaffolded ligands","Acta Crystallographica Section C","2020","76","4","367","374","10.1107/S2053229620004131","","x-ray","0.71073","MoKα","","0.0692","0.0489","","","0.1227","0.1319","","","","","","1.049","","","","has coordinates,has Fobs","251786","2020-10-21","18:00:00",""
"2022112","4.1177","0.0013","13.502","0.004","14.151","0.004","78.864","0.012","83.719","0.012","87.935","0.012","767.2","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(<i>E</i>)-1,2-Bis(pyridin-4-yl)ethene‒1,2-diiodoperchlorobenzene","1,2-Diiodo-3,4,5,6-chlorobenzene‒<i>trans</i>-1,2-bis(pyridin-4-yl)thylene (2/1)","","- C12 H5 Cl4 I2 N -","- C12 H5 Cl4 I2 N -","- C24 H10 Cl8 I4 N2 -","2","1","OV3139","Bosch, Eric; Battle, Jessica D.; Groeneman, Ryan H.","Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006233","","","0.71073","MoKα","","0.0393","0.0288","","","0.0586","0.0654","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","252048","2020-10-21","18:00:00",""
"2022113","9.1612","0.0004","10.8591","0.0006","11.7273","0.0007","94.303","0.004","101.914","0.004","106.254","0.004","1084.89","0.11","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3-ammoniopyridinium) hexachloridobismuth(III) chloride monohydrate","","- C10 H20 Bi Cl7 N6 O -","- C10 H20 Bi Cl7 N6 O -","- C20 H40 Bi2 Cl14 N12 O2 -","2","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0416","0.0364","","","0.0707","0.0748","","","","","","1.031","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022114","8.8144","0.0003","8.9982","0.0003","12.344","0.0004","76.784","0.003","87.111","0.003","88.514","0.003","951.8","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)]","","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","- C24 H36 Bi2 Cl10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0277","0.0241","","","0.0469","0.0486","","","","","","1.024","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022115","9.2145","0.0003","9.0678","0.0002","12.6314","0.0004","75.476","0.003","86.926","0.003","89.221","0.002","1020.22","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-3-methylpyridinium) di-μ-bromido-bis[tetrabromidobismuth(III)]","","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","- C24 H36 Bi2 Br10 N8 -","1","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0347","0.0282","","","0.0558","0.0592","","","","","","1.059","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022116","18.0583","0.0002","12.0745","0.00012","13.438","0.00015","90","","104.08","0.0011","90","","2842.05","0.05","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-amino-3-ammoniopyridinium) di-μ-chlorido-bis[tetrachloridobismuth(III)] dihydrate","","- C10 H22 Bi2 Cl10 N6 O2 -","- C10 H22 Bi2 Cl10 N6 O2 -","- C40 H88 Bi8 Cl40 N24 O8 -","4","0.5","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0181","0.0155","","","0.0289","0.0296","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","252049","2020-10-21","18:00:00",""
"2022117","12.02106","0.00015","7.8088","0.00009","15.3298","0.0002","90","","90.053","0.0011","90","","1439.01","0.03","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-diiodidobismuth(III)]-di-μ-iodido]]","","- C5 H8 Bi I4 N3 -","- C5 H8 Bi I4 N3 -","- C20 H32 Bi4 I16 N12 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.0241","0.0203","","","0.0381","0.0397","","","","","","1.054","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022118","11.6622","0.00015","14.08143","0.00019","7.35193","0.00009","90","","94.7149","0.0013","90","","1203.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,6-diaminopyridinium [[<i>cis</i>-dibromidobismuth(III)]-di-μ-bromido]]","","- C5 H7 Bi Br4 N2 -","- C5 H7 Bi Br4 N2 -","- C20 H28 Bi4 Br16 N8 -","4","1","FP3085","Senior, Levi; Linden, Anthony","Halobismuth(III) salts with substituted aminopyridinium cations","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006130","","x-ray","0.71073","MoKα","","0.029","0.0231","","","0.0473","0.0496","","","","","","1.049","","","","has coordinates,has Fobs","252049","2020-10-21","18:00:00",""
"2022119","12.3143","0.0014","16.3192","0.0019","23.367","0.003","90","","103.545","0.003","90","","4565.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,3-phenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] dimethylformamide monosolvate dihydrate]","","- C47 H45 N9 O11 Zn2 -","- C44 H34 N8 O8 Zn2 -","- C176 H136 N32 O32 Zn8 -","4","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.1167","0.0543","","","0.0979","0.1167","","","","","","1.005","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022120","12.436","0.0007","24.0412","0.0013","28.4613","0.0015","90","","90","","90","","8509.3","0.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,4-πhenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] monohydrate]","","- C44 H36 N8 O9 Zn2 -","- C44 H36 N8 O9 Zn2 -","- C352 H288 N64 O72 Zn16 -","8","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.0717","0.0508","","","0.1201","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022121","18.464","0.0007","13.7652","0.0006","9.3158","0.0003","90","","98.847","0.004","90","","2339.54","0.16","110","1","110","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-(<i>o</i>-Tolyl)biguanidium chloride","2-[Amino(iminiumyl)methyl]-1-(2-methylphenyl)guanidine chloride","","- C9 H14 Cl N5 -","- C9 H14 Cl N5 -","- C72 H112 Cl8 N40 -","8","1","KU3263","Kaabi, Kamel; Klai, Kacem; Wenger, Emmanuel; Jelsch, Christian; Lefebvre, Frédéric; Nasr, Cherif Ben","Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(<i>o</i>-tolyl)biguanidium chloride","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006336","","","0.71073","MoKα","","0.0567","0.0567","","","0.0612","0.0654","","","","","","0.974","","","","has coordinates,has Fobs","252170","2020-10-21","18:00:00",""
"2022122","12.98","0.003","16.037","0.003","7.8571","0.0016","90","","92.406","0.003","90","","1634.1","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{Diiodo[(phenyltellanyl)selanyl]-λ^4^-tellanyl}benzene","","- C12 H10 I2 Se Te2 -","- C12 H10 I2 Se Te2 -","- C48 H40 I8 Se4 Te8 -","4","1","YF3201","Torubaev, Yury V.","Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006166","","","0.71073","MoKα","","0.093","0.0452","","","0.0684","0.0809","","","","","","0.979","","","","has coordinates,has Fobs","252171","2020-10-21","18:00:00",""
"2022123","11.7867","0.0011","4.4744","0.0004","15.0453","0.0014","90","","112.464","0.007","90","","733.26","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0375","0.0295","","","0.0833","0.0852","","","","","","1.062","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022124","11.785","0.004","4.469","0.0009","15.004","0.004","90","","112.537","0.006","90","","729.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","1-(Chloromethyl)-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0453","0.0431","","","0.1202","0.122","","","","","","1.072","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022125","12.1412","0.0005","4.4763","0.0002","15.0876","0.0006","90","","112.626","0.003","90","","756.87","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","x-ray","0.71073","MoKα","","0.0673","0.0368","","","0.0719","0.0749","","","","","","1.086","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022126","12.152","0.009","4.47","0.003","15.07","0.011","90","","112.56","0.02","90","","756","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Bromomethyl)-3-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","SK3749","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Can we trust the experiment? Anisotropic displacement parameters in 1-(halomethyl)-3-nitrobenzene (halogen = Cl or Br)","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006221","","","0.61992","synchrotron","","0.0346","0.0326","","","0.088","0.0895","","","","","","1.104","","","","has coordinates,has Fobs","252239","2020-10-21","18:00:00",""
"2022127","9.738","0.0009","9.9295","0.0011","10.803","0.001","75.924","0.009","79.438","0.008","86.77","0.008","995.97","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","4,4',4''-(4,4,8,8,12,12-Hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]\ quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoic acid methanol 1.25-solvate","","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","- C49.25 H44 N O7.25 -","1","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","0.71073","MoKα","","0.0545","0.045","","","0.1067","0.1165","","","","","","1.046","","","","has coordinates,has Fobs","252311","2020-10-21","18:00:00",""
"2022128","10.557","0.0004","11.7711","0.0005","20.7242","0.0009","89.106","0.003","87.402","0.003","66.982","0.004","2367.86","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-10-(4-carboxyphenyl)-4,4'-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6-diyl)dibenzoato]","","- C48 H43 Cd N O9 -","- C48 H43 Cd N O9 -","- C96 H86 Cd2 N2 O18 -","2","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0432","0.0421","","","0.1024","0.1031","","","","","","1.053","","","","has coordinates,has disorder","252311","2020-10-21","18:00:00",""
"2022129","6.16863","0.00014","34.8853","0.0008","22.0643","0.0004","90","","91.825","0.002","90","","4745.71","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4,4',4''-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoato](μ~3~-hydroxido)dizinc(II)]","","- C48 H37 N O7 Zn2 -","- C48 H37 N O7 Zn2 -","- C192 H148 N4 O28 Zn8 -","4","1","OV3137","Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin","Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006488","","x-ray","1.54184","CuKα","","0.0694","0.0611","","","0.1748","0.1848","","","","","","1.076","","","","has coordinates","252311","2020-10-21","18:00:00",""
"2022130","12.7917","0.0014","12.7917","0.0014","5.8996","0.0006","90","","90","","120","","836.01","0.15","200","2","200","2","","","","","","","","4","P 3","P 3","143","3,5,7-Trinitro-1-azaadamantane","2,5,7-Trinitro-1-azatricyclo[3.3.1.13.7]decane","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C27 H36 N12 O18 -","3","1","VP3006","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006762","","","0.71073","MoKα","","0.0426","0.0321","","","0.0602","0.0632","","","","","","0.92","","","","has coordinates,has Fobs","252312","2020-10-21","18:00:00",""
"2022131","11.857","0.003","12.936","0.003","13.877","0.003","90","","90","","90","","2128.5","0.9","200","","200","","","","","","","","","5","P m m a","-P 2a 2a","51","","Poly[(μ-4,4'-bipyridyl)[μ~8~-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrabenzoato]cobalt(II)]","","- C40 H24 Co2 N2 O8 -","- C40 H24 Co2 N2 O8 -","- C80 H48 Co4 N4 O16 -","2","0.25","YP3203","Dou, Yong; Yang, Lu; Qin, Lan; Dong, Yunhui; Zhou, Zhen; Zhang, Daopeng; Wang, Suna","Self-assembly of a cobalt(II)-based metal‒organic framework as an effective water-splitting heterogeneous catalyst for light-driven hydrogen production","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620007044","","","0.71073","MoKα","","0.0828","0.0572","","","0.1543","0.1774","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","252456","2020-10-21","18:00:00",""
"2022133","7.9253","0.0016","5.9962","0.0014","8.433","0.002","90","","113.551","0.018","90","","367.37","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride","","- C6 H10 F2 N2 O -","- C6 H10 F2 N2 O -","- C12 H20 F4 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0371","0.0352","","","0.0949","0.0964","","","","","","1.053","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022134","14.4984","0.0018","6.722","0.002","8.113","0.007","90","","90","","90","","790.7","0.7","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","4,6-Dimethyl-2-pyrimidonium bromide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 O -","- C6 H9 Br N2 O -","- C24 H36 Br4 N8 O4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.035","0.0312","","","0.0919","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022135","7.1803","0.001","7.2139","0.0018","8.6574","0.0012","90","","100.603","0.011","90","","440.78","0.14","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","4,6-Dimethyl-2-pyrimidonium iodide","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 O -","- C6 H9 I N2 O -","- C12 H18 I2 N4 O2 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0597","0.0589","","","0.1642","0.1646","","","","","","1.094","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022136","8.772","0.001","11.5579","0.001","14.07","0.0016","90","","127.378","0.007","90","","1133.6","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,6-Dimethyl-2-pyrimidonium iodide‒urea (1/1)","4,6-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide‒urea (1/1)","","- C7 H13 I N4 O2 -","- C7 H13 I N4 O2 -","- C28 H52 I4 N16 O8 -","4","1","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0336","0.0324","","","0.0919","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022137","6.3876","0.0011","8.8268","0.0013","10.5","0.002","90","","99.355","0.015","90","","584.14","0.17","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4,6-Dimethyl-2-pyrimidothionium bifluoride‒thiourea (1/1)","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bifluoride‒thiourea (1/1)","","- C7 H14 F2 N4 S2 -","- C7 H14 F2 N4 S2 -","- C14 H28 F4 N8 S4 -","2","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0749","0.0707","","","0.2168","0.2199","","","","","","1.18","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022138","8.4675","0.0011","14.9142","0.0019","6.8814","0.0009","90","","101.575","0.01","90","","851.35","0.19","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4,6-Dimethyl-2-pyrimidothionium bromide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium bromide","","- C6 H9 Br N2 S -","- C6 H9 Br N2 S -","- C24 H36 Br4 N8 S4 -","4","0.5","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.0663","0.0644","","","0.1641","0.1681","","","","","","1.052","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022139","8.7198","0.0014","15.095","0.003","7.0716","0.0011","90","","90","","90","","930.8","0.3","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","4,6-Dimethyl-2-pyrimidothionium iodide","4,6-Dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-1-ium iodide","","- C6 H9 I N2 S -","- C6 H9 I N2 S -","- C24 H36 I4 N8 S4 -","4","0.25","WP3004","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław","Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides","Acta Crystallographica Section C","2020","76","5","468","475","10.1107/S2053229620005525","","x-ray","0.71073","MoKα","","0.027","0.0245","","","0.0593","0.0599","","","","","","1.072","","","","has coordinates,has Fobs","252947","2020-10-21","18:00:00",""
"2022140","3.8224","0.0002","19.5339","0.0007","16.536","0.0006","90","","91.604","0.004","90","","1234.2","0.09","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oroxylin A","5,7-Dihydroxy-6-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0564","0.0438","","","0.1075","0.113","","","","","","1.042","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022141","9.78509","0.00013","15.8032","0.0002","8.33104","0.00011","90","","91.3453","0.0011","90","","1287.92","0.03","100.01","0.1","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Negletein","5,6-Dihydroxy-7-methoxy-2-phenyl-4<i>H</i>-chromen-4-one","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0346","0.0301","","","0.0756","0.0785","","","","","","1.002","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022142","4.64835","0.00006","16.4123","0.0002","18.329","0.0003","90","","90","","90","","1398.32","0.03","100.01","0.1","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin Monohydrate","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0226","0.022","","","0.0589","0.0593","","","","","","1.032","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022143","4.39382","0.00009","18.7848","0.0003","16.8308","0.0003","90","","96.5918","0.0019","90","","1379.98","0.04","100.01","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one 1.25-hydrate","","- C16 H14.5 O6.25 -","- C16 H14.5 O6.25 -","- C64 H58 O25 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","","1.54184","CuKα","","0.048","0.0439","","","0.1098","0.1134","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","252948","2020-10-21","18:00:00",""
"2022144","11.6814","0.0005","6.431","0.0003","16.0589","0.0008","90","","100.687","0.002","90","","1185.47","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Phenylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C60 H36 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0419","0.0358","","","0.0962","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022145","7.5676","0.0005","20.2663","0.0014","9.2503","0.0007","90","","112.957","0.003","90","","1306.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.041","0.0361","","","0.0927","0.098","","","","","","1.048","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022146","11.0993","0.0008","12.8996","0.0009","9.2234","0.0006","90","","106.675","0.002","90","","1265.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0414","0.0324","","","0.081","0.089","","","","","","1.077","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022147","16.7331","0.0012","5.9676","0.0004","13.681","0.001","90","","112.82","0.003","90","","1259.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)isochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-one","","- C15 H8 Cl N3 O2 -","- C15 H8 Cl N3 O2 -","- C60 H32 Cl4 N12 O8 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0469","0.0343","","","0.0772","0.0871","","","","","","1.121","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022148","11.1518","0.0005","9.3143","0.0004","14.2417","0.0006","90","","98.655","0.002","90","","1462.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[4-hydroxy-1-(2-methylphenyl)-1<i>H</i>-1,2,3-triazol-5-yl]benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","SK3747","Vicentes, Daniel E.; Romero, Andrea L.; Rodríguez, Ricuarte; Cobo, Justo; Glidewell, Christopher","Conversion of 3-amino-4-arylamino-1<i>H</i>-isochromen-1-ones to 1-arylisochromeno[3,4-<i>d</i>][1,2,3]triazol-5(1<i>H</i>)-ones: synthesis, spectroscopic characterization and the structures of four products and one ring-opened derivative","Acta Crystallographica Section C","2020","76","5","446","453","10.1107/S2053229620003757","","","0.71073","MoKα","","0.0453","0.0415","","","0.0955","0.0976","","","","","","1.067","","","","has coordinates,has Fobs","252949","2020-10-21","18:00:00",""
"2022149","18.7572","0.0014","13.2095","0.001","16.75","0.002","90","","105.374","0.005","90","","4001.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Benzyl-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-one","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0756","0.0465","","","0.0977","0.1098","","","","","","1.018","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022150","9.1028","0.0008","10.6434","0.0009","11.2539","0.001","88.988","0.003","68.422","0.003","81.352","0.003","1001.55","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-{2-[4-(dimethylamino)phenyl]-2-oxoethyl}-3-hydroxyindolin-2-one","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C50 H48 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0448","0.0376","","","0.0903","0.0983","","","","","","1.052","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022151","7.8838","0.0005","10.1766","0.0008","11.8719","0.0009","87.554","0.003","75.996","0.002","69.428","0.002","864.3","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]indolin-2-one","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C44 H36 N4 O6 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0466","0.0383","","","0.0921","0.1012","","","","","","1.074","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022152","11.8136","0.0007","12.4987","0.001","13.5976","0.0011","93.084","0.003","101.883","0.002","95.055","0.002","1951.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-oxoethyl]-1-benzyl-3-hydroxyindolin-2-one","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0518","0.0393","","","0.0929","0.106","","","","","","1.084","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022153","7.6021","0.0006","20.488","0.0013","10.9319","0.0007","90","","96.986","0.003","90","","1690","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C92 H64 F4 N4 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0875","0.0581","","","0.1222","0.134","","","","","","1.047","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022154","4.9743","0.0002","29.1957","0.0013","12.4406","0.0006","90","","100.914","0.002","90","","1774.05","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]indolin-2-one","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0443","0.0374","","","0.09","0.0952","","","","","","1.055","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022155","7.3457","0.0006","18.0675","0.0016","13.1813","0.0013","90","","105.994","0.003","90","","1681.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(pyridin-4-yl)ethylidene]indolin-2-one","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0679","0.0438","","","0.1019","0.1214","","","","","","1.094","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022156","17.5058","0.0014","8.8163","0.0006","21.2092","0.0016","90","","90","","90","","3273.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C168 H120 N8 O16 S8 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0546","0.0378","","","0.0818","0.092","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252950","2020-10-21","18:00:00",""
"2022157","8.201","0.0006","9.7629","0.0007","12.174","0.0009","76.755","0.003","87.675","0.003","76.211","0.003","921.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-Benzyl-5-chloro-3-[2-(4-chlorophenyl)-2-oxoethylidene]indolin-2-one","","- C23 H15 Cl2 N O2 -","- C23 H15 Cl2 N O2 -","- C46 H30 Cl4 N2 O4 -","2","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0432","0.0321","","","0.0727","0.0817","","","","","","1.108","","","","has coordinates,has Fobs","252950","2020-10-21","18:00:00",""
"2022158","9.794","0.0003","9.794","0.0003","19.8673","0.0008","90","","90","","120","","1650.4","0.1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","Bis(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","","- C22 H18 Cu N4 O2 S2 -","- C22 H18 Cu N4 O2 S2 -","- C66 H54 Cu3 N12 O6 S6 -","3","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","x-ray","0.71073","MoKα","","0.0645","0.054","","","0.1408","0.1487","","","","","","1.113","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022159","7.505","0.0011","7.9967","0.0007","11.9102","0.0019","76.112","0.01","71.827","0.014","82.057","0.009","657.73","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[(8-methoxyquinoline-κ^2^<i>N</i>,<i>O</i>)(thiocyanato-κ<i>N</i>)copper(II)]","","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","- C24 H24 Cu2 N4 O4 S2 -","1","0.5","LF3115","Deng, Qian-Jun; Chen, Min; Chen, Dong-Chu; Long, Hang-Yu; Chen, Chang-Ai","Tracking the dissolution‒recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620006701","","","0.71073","MoKα","","0.1272","0.0836","","","0.2439","0.2719","","","","","","1.129","","","","has coordinates","252976","2020-10-21","18:00:00",""
"2022160","9.4554","0.0007","9.901","0.0008","10.3668","0.0008","90","","97.567","0.001","90","","962.07","0.13","99.96","","99.96","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) diiodide monohydrate","","- C11 H28 Co I2 N5 O3 -","- C11 H28 Co I2 N5 O3 -","- C22 H56 Co2 I4 N10 O6 -","2","1","DG3007","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.023","0.0224","","","0.0527","0.053","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","252977","2020-10-21","18:00:00",""
"2022161","13.6098","0.0014","11.1177","0.0011","13.6429","0.0014","90","","118.651","0.002","90","","1811.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate","","- C11 H24 Cl2 Co N5 O6 -","- C11 H24 Cl2 Co N5 O6 -","- C44 H96 Cl8 Co4 N20 O24 -","4","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0435","0.037","","","0.0953","0.0987","","","","","","1.06","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022162","11.5455","0.0006","11.8865","0.0006","25.3868","0.0012","90","","90","","90","","3484","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate","","- C10 H25 Cl2 Co N6 O7 -","- C10 H25 Cl2 Co N6 O7 -","- C80 H200 Cl16 Co8 N48 O56 -","8","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0949","0.0492","","","0.0768","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022165","9.5189","0.0004","14.245","0.0005","23.4079","0.0009","90","","95.92","0.003","90","","3157.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(3+)Cl(tetra-3-pyridinyl-21H,23H-Porphine(2-))]","<i>catena</i>-Poly[[chloridomanganese(III)]-μ~2~-5,10,15,20-tetrakis(pyridin-3-yl)-21<i>H</i>,23<i>H</i>-porphinato(2-)-κ^5^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^:<i>N</i>^5^]","","- C40 H24 Cl Mn N8 -","- C40 H24 Cl Mn N8 -","- C160 H96 Cl4 Mn4 N32 -","4","1","OC3002","Wen-Tong Chen","A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties","Acta Crystallographica, Section C","2020","76","5","375","380","10.1107/S2053229620004350","","","0.71073","MoKα","","0.0465","0.037","","","0.0915","0.098","","","","","","1.047","","","","has coordinates,has Fobs","253313","2020-10-21","18:00:00",""
"2022166","12.211","0.0013","8.1447","0.0009","17.6634","0.0019","90","","109.43","0.002","90","","1656.7","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","17-Ethyl-1-hydroxymethyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","QF3039","Hillman, Zachary E.; Tanski, Joseph M.; Roberts, Andrea","Crystal and geometry-optimized structure of an anthracene-based Diels‒Alder adduct","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008128","","","0.71073","MoKα","","0.045","0.0386","","","0.1043","0.1098","","","","","","1.022","","","","has coordinates,has Fobs","253509","2020-10-21","18:00:00",""
"2022167","7.2657","0.0001","14.4917","0.0002","24.6836","0.0003","90","","90.042","0.001","90","","2598.99","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>S</i>)-2-Amino-<i>N</i>-[2-(2,3-dimethylphenoxy)ethyl]propan-1-ol","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C104 H168 N8 O16 -","8","2","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0558","0.0528","","","0.1503","0.1526","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022168","6.5225","0.0001","12.7734","0.0002","12.8431","0.0002","118.954","0.001","91.292","0.001","101.139","0.001","910.2","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,3-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0387","0.035","","","0.0913","0.0942","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","253532","2020-10-21","18:00:00",""
"2022169","7.0226","0.0001","7.9585","0.0001","12.5188","0.0001","90","","103.645","0.001","90","","679.92","0.014","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium chloride","","- C13 H22 Cl N O2 -","- C13 H22 Cl N O2 -","- C26 H44 Cl2 N2 O4 -","2","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0222","0.0218","","","0.0577","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022170","10.9828","0.0001","10.9828","0.0001","31.824","0.0004","90","","90","","90","","3838.67","0.07","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0341","0.0308","","","0.0781","0.0809","","","","","","1.061","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2022171","11.8973","0.0004","8.836","0.0003","21.8286","0.0007","90","","103.454","0.0013","90","","2231.75","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylformamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylformamide monosolvate","","- C20 H21 F3 N4 O3 S -","- C20 H21 F3 N4 O3 S -","- C80 H84 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0643","0.0563","","","0.1417","0.149","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022172","11.9584","0.0003","9.2028","0.0002","21.2811","0.0006","90","","103.383","0.0012","90","","2278.41","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethylacetamide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethylacetamide monosolvate","","- C21 H23 F3 N4 O3 S -","- C21 H23 F3 N4 O3 S -","- C84 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0554","0.0465","","","0.121","0.1289","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022173","11.9978","0.0004","9.0896","0.0003","21.9732","0.0008","90","","101.358","0.002","90","","2349.36","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib <i>N</i>-methyl-2-pyrrolidone monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide <i>N</i>-methylpyrrolidin-2-one monosolvate","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0656","0.0475","","","0.1245","0.1361","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022174","12.405","0.0003","8.9351","0.0002","22.5727","0.0006","90","","98.6702","0.0013","90","","2473.36","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib tetramethylurea monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide tetramethylurea monosolvate","","- C22 H26 F3 N5 O3 S -","- C22 H26 F3 N5 O3 S -","- C88 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0611","0.0458","","","0.1277","0.1416","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022175","12.4495","0.0017","8.7822","0.0013","22.656","0.003","90","","97.861","0.005","90","","2453.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib 1,3-dimethyltetrahydropyrimidin-2(1H)-one monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide 1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one monosolvate","","- C23 H26 F3 N5 O3 S -","- C23 H26 F3 N5 O3 S -","- C92 H104 F12 N20 O12 S4 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0469","0.0403","","","0.1119","0.1179","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022176","11.9884","0.0003","9.023","0.0003","20.8537","0.0006","90","","100.391","0.0009","90","","2218.78","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib dimethyl sulfoxide monosolvate","4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide dimethyl sulfoxide monosolvate","","- C19 H20 F3 N3 O3 S2 -","- C19 H20 F3 N3 O3 S2 -","- C76 H80 F12 N12 O12 S8 -","4","1","SK3751","Bond, Andrew D.; Sun, Changquan C.","Intermolecular interactions and disorder in six isostructural celecoxib solvates","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008359","","","1.54178","CuKα","","0.0484","0.0442","","","0.1217","0.126","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","253533","2020-10-21","18:00:00",""
"2022177","11.2862","0.0003","29.3083","0.0008","19.6024","0.0006","90","","98.393","0.002","90","","6414.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylazanium tetrakis(μ~2~-5-amino-1,2,3,4-tetrazolido)tetrakis(μ~3~-4-chloro-2-{[(1<i>H</i>-tetrazol-1-id-5-yl)imino]methyl}phenolato)di-μ~3~-oxido-pentairon(III) acetonitrile monosolvate monohydrate","","- C44 H45 Cl4 Fe5 N42 O7 -","- C44 H45 Cl4 Fe5 N42 O7 -","- C176 H180 Cl16 Fe20 N168 O28 -","4","1","YO3074","Deng, Qianjun; Wang, Jiming; Li, Guangzhao; Zhang, Shuhua","Synthesis, structure and magnetism of a new ionic pentanuclear iron cluster","Acta Crystallographica Section C","2020","76","7","","","10.1107/S205322962000861X","","","0.71073","MoKα","","0.0765","0.0536","","","0.148","0.1746","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","253553","2020-10-21","18:00:00",""
"2022179","4.7581","0.0006","18.599","0.002","18.266","0.002","90","","92.409","0.005","90","","1615","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4,4'-(Ethene-1,2-diyl)bis[(<i>N</i>'<i>E</i>)-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate","","- C34 H36 N4 O6 S2 -","- C34 H36 N4 O6 S2 -","- C68 H72 N8 O12 S4 -","2","0.5","JX3056","Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting","Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008037","","","0.71073","MoKα","","0.1112","0.0512","","","0.1142","0.1507","","","","","","1.071","","","","has coordinates","254054","2020-10-21","18:00:00",""
"2022180","10.2487","0.0003","16.3033","0.0004","19.7539","0.0007","90","","100.42","0.003","90","","3246.2","0.17","100","2","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-3-benzylidene-2-phenylchroman-4-one","(<i>E</i>)-3-Benzylidene-2-phenylchroman-4-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0701","0.0598","","","0.1464","0.1534","","","","","","1.02","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022181","16.6799","0.0005","7.9102","0.0002","13.1511","0.0003","90","","98.558","0.003","90","","1715.85","0.08","100","2","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0497","0.0395","","","0.1007","0.1073","","","","","","1.05","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022182","8.9094","0.0003","9.6578","0.0003","10.9044","0.0004","104.378","0.003","109.425","0.003","91.902","0.003","850.24","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(3-Methylbenzylidene)-2-phenylchroman-4-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","0.71073","MoKα","","0.0451","0.0373","","","0.091","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022183","23.4111","0.0003","8.0027","0.0001","28.1094","0.0005","90","","97.156","0.001","90","","5225.33","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(4-Methoxybenzylidene)-2-phenylchroman-4-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C276 H216 O36 -","12","3","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","","1.54184","CuKα","","0.0468","0.038","","","0.0967","0.1037","","","","","","1.011","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022184","7.7718","0.0003","8.6069","0.0003","9.0857","0.0003","89.744","0.003","84.862","0.003","74.199","0.003","582.31","0.04","100","2","100","0.1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidenechroman-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.109","0.1145","","","","","","1.058","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022185","7.557","0.0003","12.3558","0.0004","14.4044","0.0006","82.748","0.003","87.126","0.003","75.768","0.003","1293.01","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(4-Methoxybenzylidene)chroman-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","YF3205","Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta","The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000813X","","x-ray","1.54184","CuKα","","0.0728","0.0698","","","0.1961","0.2","","","","","","1.087","","","","has coordinates,has Fobs","254055","2020-10-21","18:00:00",""
"2022186","18.5318","0.0009","5.9396","0.0003","17.4426","0.001","90","","95.528","0.004","90","","1911","0.17","173","2","173","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt dihydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate dihydrate","","- C18 H16 Cl N2 Na O8 S -","- C18 H16 Cl N2 Na O8 S -","- C72 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","x-ray","0.71073","MoKα","","0.0648","0.0511","","","0.1166","0.1228","","","","","","1.134","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022187","18.2222","0.0002","5.9486","0.0001","16.9361","0.0002","90","","92.037","0.001","90","","1834.66","0.04","173","2","173","2","","","","","","","Synthesis","7","P 1 21/c 1","-P 2ybc","14","Pigment Red 48 monosodium salt monohydrate","Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate monohydrate","","- C18 H14 Cl N2 Na O7 S -","- C18 H14 Cl N2 Na O7 S -","- C72 H56 Cl4 N8 Na4 O28 S4 -","4","1","","Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian","Two monosodium salt hydrates of Colour Index Pigment Red 48","Acta Crystallographica Section C Structural Chemistry","2020","76","8","","","10.1107/S2053229620008530","","","1.54178","CuKα","","0.0569","0.0542","","","0.1413","0.1454","","","","","","1.093","","","","has coordinates,has Fobs","254056","2020-10-21","18:00:00",""
"2022188","13.368","0.005","11.262","0.005","9.266","0.004","90","","118.83","0.03","90","","1222.1","1","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","Magnesium carbonate chloride heptahydrate","","- C H14 Cl2 Mg2 O10 -","- C H14 Cl2 Mg2 O10 -","- C4 H56 Cl8 Mg8 O40 -","4","1","UK3196","Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang","Crystal structure and characterization of magnesium carbonate chloride heptahydrate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008153","","","0.8","synchrotron","","0.0748","0.0529","","","0.136","0.1605","","","","","","1.123","","","","has coordinates,has Fobs","254145","2020-10-21","18:00:00",""
"2022189","10.9515","0.0011","11.2204","0.0011","12.287","0.0012","103.223","0.004","100.928","0.004","100.379","0.004","1403.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cerium(III)]","","- C27 H25 Ce N2 O10 -","- C27 H25 Ce N2 O10 -","- C54 H50 Ce2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0518","0.0338","","","0.0654","0.0701","","","","","","1.002","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022190","10.9076","0.0014","11.1726","0.0013","12.3717","0.0016","102.985","0.003","101.259","0.003","100.483","0.003","1400.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)praseodymium(III)]","","- C27 H25 N2 O10 Pr -","- C27 H25 N2 O10 Pr -","- C54 H50 N4 O20 Pr2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0884","0.0483","","","0.0732","0.0836","","","","","","1.033","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022191","10.8669","0.0014","11.1173","0.0014","12.4442","0.0015","102.564","0.003","101.643","0.003","100.661","0.003","1395.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)neodymium(III)]","","- C27 H25 N2 Nd O10 -","- C27 H25 N2 Nd O10 -","- C54 H50 N4 Nd2 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0822","0.0465","","","0.0708","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022192","10.7827","0.0011","10.9479","0.0011","12.7964","0.0013","100.735","0.004","103.054","0.004","101.521","0.004","1398.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)samarium(III)]","","- C27 H25 N2 O10 Sm -","- C27 H25 N2 O10 Sm -","- C54 H50 N4 O20 Sm2 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0431","0.0339","","","0.0698","0.0753","","","","","","1.182","","","","has coordinates,has disorder,has Fobs","254468","2020-10-21","18:00:00",""
"2022193","10.7597","0.0005","10.9088","0.0005","12.9291","0.0006","100.285","0.002","103.621","0.002","101.711","0.002","1402.73","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III)]","","- C27 H25 Eu N2 O10 -","- C27 H25 Eu N2 O10 -","- C54 H50 Eu2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0304","0.0232","","","0.0482","0.0512","","","","","","1.066","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022194","10.722","0.002","10.87","0.002","12.949","0.003","100.12","0.03","103.89","0.03","101.79","0.03","1393.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[{μ~5~-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^}bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)gadolinium(III)]","","- C27 H25 Gd N2 O10 -","- C27 H25 Gd N2 O10 -","- C54 H50 Gd2 N4 O20 -","2","1","UK3197","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","A new family of lanthanide coordination polymers based on 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis, crystal structures and magnetic and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009547","","","0.71073","MoKα","","0.0513","0.0366","","","0.0694","0.0749","","","","","","1.164","","","","has coordinates,has Fobs","254468","2020-10-21","18:00:00",""
"2022195","15.8623","0.0004","20.7547","0.0006","21.8096","0.0006","90","","107.576","0.002","90","","6844.9","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","Tetrakis(caffeinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","Tetrakis(1,3,7-trimethylxanthinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","","- C32 H50 N16 O51 Si W12 -","- C32 H50 N16 O51 Si W12 -","- C128 H200 N64 O204 Si4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0535","0.0478","","","0.1305","0.1336","","","","","","1.076","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022196","10.8071","0.0004","23.4412","0.0013","23.6644","0.001","90","","90.72","0.003","90","","5994.5","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(theobrominium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","Tris(3,7-dimethylxanthinium) μ~12~-phosphato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten ethanol sesquisolvate","","- C24 H36 N12 O47.5 P W12 -","- C24 H36 N12 O47.5 P W12 -","- C96 H144 N48 O190 P4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0921","0.0507","","","0.1093","0.1234","","","","","","0.927","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022197","14.1669","0.0005","10.7145","0.0003","17.135","0.0005","90","","98.654","0.001","90","","2571.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-hexyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C28 H30 Cl N3 O2 S2 -","- C28 H30 Cl N3 O2 S2 -","- C112 H120 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0386","0.0316","","","0.0709","0.0746","","","","","","1.028","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022198","8.2419","0.0002","28.0429","0.0006","11.5843","0.0003","90","","90","","90","","2677.44","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-\ benzyl-5-methyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-\ dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C30 H26 Cl N3 O2 S2 -","- C30 H26 Cl N3 O2 S2 -","- C120 H104 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0269","0.0259","","","0.0636","0.0643","","","","","","1.048","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022199","10.3179","0.0007","10.3179","0.0007","10.3179","0.0007","90","","90","","90","","1098.43","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium gadolinium hafnium tris(phosphate)","","- Gd Hf K2 O12 P3 -","- Gd Hf K2 O12 P3 -","- Gd4 Hf4 K8 O48 P12 -","4","0.333333","KY3197","Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan","A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009857","","","0.71073","MoKα","","0.0196","0.018","","","0.03","0.0305","","","","","","1.078","","","","has coordinates,has Fobs","254508","2020-10-21","18:00:00",""
"2022200","9.1209","0.0017","9.6732","0.0019","11.958","0.002","104.763","0.017","100.147","0.015","103.858","0.017","958.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methylbenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0775","0.0417","","","0.0913","0.0949","","","","","","1.004","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022201","9.1304","0.0005","9.9986","0.0006","11.8551","0.0006","107.458","0.005","99.719","0.004","99.414","0.005","990.84","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclopentane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O4 S -","- C19 H22 N4 O4 S -","- C38 H44 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0671","0.0462","","","0.1116","0.1259","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022202","5.8289","0.0006","18.094","0.0018","9.0173","0.0008","90","","95.799","0.008","90","","946.17","0.16","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 5'-benzoyl-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C38 H44 N8 O6 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0629","0.0348","","","0.053","0.0548","","","","","","1.006","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022203","28.5394","0.0014","8.0288","0.0003","9.1435","0.0004","90","","90","","90","","2095.12","0.16","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C80 H96 N16 O16 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.05","0.0396","","","0.1032","0.1115","","","","","","1.001","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022204","8.0154","0.0003","14.2211","0.0011","15.9349","0.0007","90","","102.337","0.004","90","","1774.44","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6,6-dimethyl-5-(4-methylbenzoyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C17 H20 N4 O3 S -","- C17 H20 N4 O3 S -","- C68 H80 N16 O12 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0788","0.0452","","","0.098","0.1127","","","","","","1.014","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022205","25.4485","0.0008","8.9445","0.0003","19.0694","0.0007","90","","110.315","0.004","90","","4070.7","0.3","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6-methyl-5-(4-methylbenzoyl)-6-phenyl-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C22 H22 N4 O3 S -","- C22 H22 N4 O3 S -","- C176 H176 N32 O24 S8 -","8","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0443","0.035","","","0.088","0.0942","","","","","","1.02","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022206","9.2791","0.0005","11.1445","0.0008","11.4872","0.0007","65.567","0.007","73.829","0.005","73.034","0.006","1017.32","0.13","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-benzoyl-6-(4-methoxyphenyl)-6,7-dihydro-5<i>H</i>-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine-3-carboxylate","","- C21 H20 N4 O4 S -","- C21 H20 N4 O4 S -","- C42 H40 N8 O8 S2 -","2","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.0831","0.049","","","0.1127","0.1336","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","254538","2020-10-21","18:00:00",""
"2022207","16.0881","0.0015","7.1958","0.0008","23.177","0.003","90","","108.838","0.004","90","","2539.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C104 H104 F8 N16 O24 -","8","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0759","0.0463","","","0.103","0.1145","","","","","","1.021","","","","has coordinates,has Fobs","254539","2020-10-21","18:00:00",""
"2022208","16.207","0.0007","9.1642","0.0004","17.963","0.0007","90","","91.607","0.002","90","","2666.89","0.19","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate carbon tetrachloride 0.25-solvate","","- C53 H52 Cl4 F4 N8 O12 -","- C53 H52 Cl4 F4 N8 O12 -","- C106 H104 Cl8 F8 N16 O24 -","2","0.5","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0853","0.0674","","","0.2031","0.2424","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022209","7.3353","0.0002","8.9091","0.0002","12.5006","0.0004","82.389","0.002","79.38","0.002","65.898","0.002","731.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ethyl acetate hemisolvate","","- C15 H17 F N2 O4 -","- C15 H17 F N2 O4 -","- C30 H34 F2 N4 O8 -","2","1","CU3165","Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak","Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009560","","","0.71073","MoKα","","0.0716","0.0526","","","0.1282","0.1413","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","254539","2020-10-21","18:00:00",""
"2022210","10.9586","0.0006","10.2679","0.0006","12.9392","0.0008","90","","93.624","0.003","90","","1453.03","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide","","- C15 H11 I N2 O2 S -","- C15 H11 I N2 O2 S -","- C60 H44 I4 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0563","0.0444","","","0.139","0.1498","","","","","","1.032","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022211","10.048","0.002","13.802","0.003","10.543","0.002","90","","90.487","0.01","90","","1462.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Nitrobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.04","0.0337","","","0.0917","0.0992","","","","","","1.053","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022212","10.3376","0.0005","12.6151","0.0005","10.885","0.0005","90","","96.59","0.002","90","","1410.13","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(2-Aminobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline","2-(2'-Aminobenzenesulfonyl)-1,3,4-trihydroisoquinoline","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","EP3007","Kolade, Sherif O.; Izunobi, Josephat U.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Familoni, Oluwole B.","Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-<i>b</i>][1,2,4]benzothiadiazine 12,12-dioxide and its precursors","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009626","","","0.71073","MoKα","","0.0462","0.035","","","0.0947","0.1029","","","","","","1.068","","","","has coordinates,has Fobs","254579","2020-10-21","18:00:00",""
"2022213","18.962","0.002","5.9225","0.0007","11.6649","0.0015","90","","127.027","0.001","90","","1045.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","","- C5 H10 Cl2 N8 -","- C5 H10 Cl2 N8 -","- C20 H40 Cl8 N32 -","4","0.5","QS3092","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009924","","","0.71073","MoKα","","0.0271","0.0257","","","0.071","0.0723","","","","","","1.103","","","","has coordinates,has Fobs","254580","2020-10-21","18:00:00",""
"2022214","8.4476","0.001","8.5662","0.0008","8.6125","0.0008","110.812","0.009","115.048","0.011","92.854","0.009","512.82","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C20 H22 N10 O2 -","2","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0679","0.0529","","","0.1455","0.1637","","","","","","1.056","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022215","4.824","0.0011","8.2685","0.0019","26.527","0.01","90","","90","","90","","1058.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0909","0.0512","","","0.0997","0.1194","","","","","","0.99","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022216","11.588","0.008","11.995","0.008","20.431","0.012","80.65","0.03","89.97","0.02","89.99","0.04","2802","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3^)(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] dimethylformamide monosolvate]","","- C29 H27 N5 O5 Zn -","- C29 H27 N5 O5 Zn -","- C116 H108 N20 O20 Zn4 -","4","2","QS3094","Chen, Ning-Ning; Zhang, Chen; Tao, Jian-Qing","A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001058X","","","0.71073","MoKα","","0.0548","0.0403","","","0.1067","0.1125","","","","","","1.064","","","","has coordinates,has Fobs","254856","2020-10-21","18:00:00",""
"2022217","12.5006","0.001","12.7609","0.001","15.0775","0.0016","84.538","0.008","86.265","0.007","85.919","0.007","2384","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium bis[6,6'-bis(tetrazol-1-id-5-yl)-2,2'-bipyridine]iron(III) methanol hemisolvate dihydrate","","- C40.5 H54 Fe N21 O2.5 -","- C40.5 H54 Fe N21 O2.5 -","- C81 H108 Fe2 N42 O5 -","2","1","LF3118","Hao, Xiaoyun; Cao, Tong; Dou, Yong; Yang, Lu; Zhou, Zhen; Zhang, Daopeng; Hao, Hongguo","A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010451","","","0.71073","MoKα","","0.0994","0.0685","","","0.1664","0.1905","","","","","","1.069","","","","has coordinates,has Fobs","254857","2020-10-21","18:00:00",""
"2022218","9.72506","0.00016","13.58223","0.00015","10.4099","0.00017","90","","116.071","0.002","90","","1235.11","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane","","- C20 H40 B N5 O8 -","- C20 H40 B N5 O8 -","- C40 H80 B2 N10 O16 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0252","0.0241","","","0.0597","0.0603","","","","","","1.035","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022219","10.40272","0.00013","17.5277","0.0003","30.9259","0.0004","90","","90","","90","","5638.9","0.14","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetraethylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane 6.375-hydrate","","- C16 H44.75 B N5 O14.375 -","- C16 H44.75 B N5 O14.375 -","- C128 H358 B8 N40 O115 -","8","2","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0352","0.032","","","0.08","0.0819","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022220","11.49802","0.00016","10.19256","0.0001","14.65365","0.00018","90","","107.916","0.0014","90","","1634.05","0.04","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrabutylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate hemihydrate","","- C26 H55 B N5 O9.5 -","- C26 H55 B N5 O9.5 -","- C52 H110 B2 N10 O19 -","2","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0304","0.0283","","","0.0705","0.0715","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022221","10.41666","0.00015","15.3809","0.0002","18.0053","0.0003","90","","90","","90","","2884.77","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sparteinium spiroborate ethanol monosolvate","7-Aza-15-azoniatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate","","- C25 H45 B N6 O9 -","- C25 H45 B N6 O9 -","- C100 H180 B4 N24 O36 -","4","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0669","0.0678","","","","","","1.038","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022222","10.2725","0.0004","12.254","0.0006","12.7472","0.0006","109.923","0.002","105.202","0.002","94.953","0.002","1428.23","0.12","103.58","","103.58","","","","","","","","","6","P -1","-P 1","2","","{10,20-Bis[2,6-bis(octyloxy)phenyl]-5,15-dibromoporphinato}copper(II)","","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","- C64 H82 Br2 Cu N4 O4 -","1","0.5","YP3204","Nalaoh, Phattananawee; Bureekaew, Sareeya; Promarak, Vinich; Lindsey, Jonathan S.","Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π‒π stacking in a compact supramolecular package","Acta Crystallographica Section C","2020","76","7","647","654","10.1107/S2053229620007172","","x-ray","0.71073","MoKα","","0.0658","0.0397","","","0.0765","0.0848","","","","","","1.0405","","","","has coordinates,has Fobs","255157","2020-10-21","18:00:00",""
"2022223","10.66","0.002","12.24","0.002","14.649","0.003","109.48","0.03","107.32","0.03","98.87","0.03","1650.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]bis[μ~6~-4-(2,4-dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate]","","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","- C68 H58 Co4 N12 O26 -","1","0.5","DG3008","Li, Shao-Dong; Su, Feng; Zhu, Miao-Li; Lu, Li-Ping","A novel three-dimensional tetranuclear Co^II^ coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010633","","","0.71073","MoKα","","0.0496","0.0365","","","0.0866","0.0927","","","","","","1.005","","","","has coordinates,has Fobs","255205","2020-10-21","18:00:00",""
"2022224","6.756","0.004","13.108","0.008","6.385","0.004","90","","90","","90","","565.4","0.6","200","","200","","","","","","","","","3","I b a m","-I 2 2c","72","","Dibarium zinc diphosphide","","- Ba2 P2 Zn -","- Ba2 P2 Zn -","- Ba8 P8 Zn4 -","4","0.25","OV3142","Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen","Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010827","","","0.71073","MoKα","","0.0216","0.0177","","","0.0357","0.0366","","","","","","1.039","","","","has coordinates,has Fobs","255237","2020-10-21","18:00:00",""
"2022225","8.2595","0.0004","6.4279","0.0003","31.9064","0.0014","90","","93.674","0.002","90","","1690.47","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-(4-methoxystyryl)quinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0504","0.0401","","","0.1","0.1106","","","","","","1.059","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022226","8.0849","0.0003","6.6692","0.0002","31.1063","0.001","90","","95.005","0.001","90","","1670.85","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-4-(4-bromostyryl)-2-methylquinoline","(<i>E</i>)-3-Acetyl-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0345","0.0296","","","0.0704","0.0734","","","","","","1.027","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022227","8.0822","0.0004","6.6567","0.0004","32.1024","0.0017","90","","90.576","0.002","90","","1727.05","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3-Acetyl-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline","(<i>E</i>)-3-Acetyl-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline","","- C21 H16 F3 N O -","- C21 H16 F3 N O -","- C84 H64 F12 N4 O4 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0501","0.0413","","","0.0959","0.1008","","","","","","1.04","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022228","9.5301","0.0008","10.3513","0.0008","10.3621","0.0008","65.374","0.003","86.583","0.003","76.376","0.003","902.23","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-(4-methoxystyryl)quinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-methoxyphenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0641","0.052","","","0.12","0.1278","","","","","","1.068","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022229","9.5709","0.0006","10.6119","0.0007","18.2074","0.001","90","","90.939","0.002","90","","1849","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethyl (<i>E</i>)-4-(4-bromostyryl)-2-methylquinoline-3-carboxylate","Ethyl (<i>E</i>)-4-[2-(4-bromophenyl)ethenyl]-2-methylquinoline-3-carboxylate","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C84 H72 Br4 N4 O8 -","4","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0277","0.0223","","","0.0532","0.0558","","","","","","1.021","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022230","8.7465","0.001","9.9436","0.0011","11.1116","0.0011","105.446","0.004","99.763","0.004","97.204","0.004","903.08","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ethyl (<i>E</i>)-2-methyl-4-[4-(trifluoromethyl)styryl]quinoline-3-carboxylate","Ethyl (<i>E</i>)-2-methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline-3-carboxylate","","- C22 H18 F3 N O2 -","- C22 H18 F3 N O2 -","- C44 H36 F6 N2 O4 -","2","1","SK3755","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0571","0.0439","","","0.106","0.1204","","","","","","1.053","","","","has coordinates,has Fobs","255313","2020-10-21","18:00:00",""
"2022231","13.273","0.0016","14.8012","0.0016","20.137","0.002","90","","90","","90","","3956","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-benzoyl-2-methyl-4-(3-methylstyryl)quinoline","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.144","0.1172","","","0.1909","0.2005","","","","","","1.303","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022232","10.8168","0.0006","17.3361","0.001","12.8892","0.0006","90","","114.132","0.002","90","","2205.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-Methyl-4-((E)-4-methylstyryl)quinolin-3-yl)-3- phenyl-prop-2-en-1-one","","- C28 H23 N O -","- C28 H23 N O -","- C112 H92 N4 O4 -","4","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.0547","0.0439","","","0.1043","0.1103","","","","","","1.015","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022233","3.8598","0.0004","11.7229","0.001","27.679","0.002","90","","93.255","0.009","90","","1250.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-fluorophenyl)methanone","","- C15 H8 Br F O3 -","- C15 H8 Br F O3 -","- C60 H32 Br4 F4 O12 -","4","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0699","0.0452","","","0.0883","0.0972","","","","","","1.074","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022234","26.4034","0.001","3.9818","0.0001","26.2773","0.001","90","","104.605","0.004","90","","2673.35","0.17","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-chlorophenyl)methanone","","- C15 H8 Br Cl O3 -","- C15 H8 Br Cl O3 -","- C120 H64 Br8 Cl8 O24 -","8","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.1049","0.0516","","","0.0856","0.1016","","","","","","1.012","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022235","7.0725","0.0004","7.0884","0.0005","14.6069","0.0008","92.23","0.005","103.091","0.005","101.219","0.006","696.98","0.08","294","2","294.15","","","","","","","","","4","P -1","-P 1","2","","(5-Bromo-3-hydroxybenzofuran-2-yl)(4-bromophenyl)methanone","","- C15 H8 Br2 O3 -","- C15 H8 Br2 O3 -","- C30 H16 Br4 O6 -","2","1","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0798","0.0462","","","0.0959","0.1093","","","","","","1.035","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022236","26.4214","0.0008","4.76309","0.00013","46.6213","0.0014","90","","106.034","0.003","90","","5638.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(4-Bromophenyl)(3-hydroxy-5-iodobenzofuran-2-yl)methanone","","- C15 H8 Br I O3 -","- C15 H8 Br I O3 -","- C240 H128 Br16 I16 O48 -","16","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0653","0.0481","","","0.1132","0.1231","","","","","","1.067","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022237","5.4364","0.001","5.6202","0.0011","15.844","0.003","83.623","0.003","87.617","0.003","86.146","0.003","479.72","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","","- C5 H12 N10 O -","- C5 H12 N10 O -","- C10 H24 N20 O2 -","2","1","QS3093","Yan, Biao; Li, Hongya; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011080","","","0.71073","MoKα","","0.039","0.0351","","","0.0877","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","255340","2020-10-21","18:00:00",""
"2022238","17.6719","0.0008","25.7296","0.0012","6.8887","0.0003","90","","90","","90","","3132.2","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","7-Nitro-2-(piperidine-1-carbonyl)-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C14 H12 F3 N3 O5 S -","- C14 H12 F3 N3 O5 S -","- C112 H96 F24 N24 O40 S8 -","8","1","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0983","0.0591","","","0.1292","0.1703","","","","","","1.083","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022239","8.8165","0.0002","16.1649","0.0004","13.4246","0.0003","90","","90.0022","0.0012","90","","1913.25","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(<i>S</i>)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl]-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one 1-oxide","","- C17 H16 F3 N3 O7 S -","- C17 H16 F3 N3 O7 S -","- C68 H64 F12 N12 O28 S4 -","4","2","EP3008","Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter","Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010931","","","1.54178","CuKα","","0.0348","0.0328","","","0.0807","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","255584","2020-10-21","18:00:00",""
"2022240","14.5681","0.0006","19.477","0.0008","17.8029","0.0007","90","","109.21","0.001","90","","4770.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)di-μ~3~-hydroxido-hexakis(μ-2-propylpentanoato)bis(2-propylpentanoato)pentazinc(II)","","- C84 H138 N4 O18 Zn5 -","- C84 H138 N4 O18 Zn5 -","- C168 H276 N8 O36 Zn10 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0688","0.0495","","","0.1252","0.1366","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022241","15.3595","0.001","24.8498","0.0016","16.6739","0.0011","90","","106.631","0.001","90","","6097.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-4,4'-bipyridine)di-μ~3~-hydroxido-octakis(μ-2-propylpentanoato)bis(2-propylpentanoato)hexazinc(II)] dimethylformamide disolvate]","","- C106 H182 N6 O24 Zn6 -","- C106 H182 N6 O24 Zn6 -","- C212 H364 N12 O48 Zn12 -","2","0.5","VP3007","Abu Ali, Hijazi; Darawsheh, Mohanad","Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011262","","","0.71073","MoKα","","0.0558","0.0422","","","0.0988","0.1053","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255585","2020-10-21","18:00:00",""
"2022242","26.26089","0.00017","12.39989","0.00008","29.17764","0.00019","90","","90","","90","","9501.18","0.11","149.7","0.8","149.7","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C432 H416 B8 Co8 N56 S16 -","8","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0893","0.092","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022243","11.69503","0.0001","15.27162","0.00013","15.43643","0.00016","117.441","0.0009","100.791","0.0008","94.2199","0.0007","2362.76","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C108 H104 B2 Co2 N14 S4 -","2","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0364","0.0348","","","0.0918","0.0928","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022244","7.366","0.0004","12.8932","0.0006","14.9661","0.0007","90","","90","","90","","1421.35","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>S</i>,5<i>R</i>,8a<i>R</i>,9a<i>S</i>)-9a-Hydroxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-<i>b</i>]furan-2,8-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","YP3206","Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia","Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011493","","x-ray","1.54184","CuKα","","0.0719","0.0519","","","0.1252","0.1505","","","","","","1.08","","","","has coordinates,has Fobs","255739","2020-10-21","18:00:00",""
"2022245","4.5999","0.0005","10.2684","0.001","18.711","0.002","90","","90","","90","","883.79","0.16","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(Isoxazol-3-yl)imino]methyl}phenol","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","x-ray","0.71073","MoKα","","0.0378","0.0321","","","0.0798","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022246","20.5584","0.0007","10.0468","0.0004","4.6417","0.0002","90","","90","","90","","958.73","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(salicylidene)-3-amino-5-methyl-isoxazole","(<i>E</i>)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0428","0.0365","","","0.0775","0.0808","","","","","","1.05","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022247","10.8955","0.0005","10.9571","0.0004","14.8329","0.0006","82.335","0.003","88.326","0.004","75.178","0.003","1696.56","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","N-(3,5-ditertbutylsalicylidene)-3-aminoisoxazole","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(isoxazol-3-yl)imino]methyl}phenol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","2","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0744","0.0492","","","0.105","0.1192","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255750","2020-10-21","18:00:00",""
"2022248","13.337","0.004","13.337","","13.337","","90","","90","","90","","2372.3","0.7","200","2","200","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi In0.14 Li2.56 -","- Bi In0.14425 Li2.56325 -","- Bi32 In4.616 Li82.024 -","32","0.166667","FN3334","Ovchinnikov, Alexander; Bobev, Svilen","Electronic stabilization by occupational disorder in the ternary bismuthide Li~3 -~ <i>~x~</i>~-~<i>~y~</i>In<i>~x~</i>Bi (<i>x</i> ≃0.14, <i>y</i> ≃0.29)","Acta Crystallographica, Section C","2020","76","6","585","590","10.1107/S2053229620006439","","","0.71073","MoKα","","0.0345","0.024","","","0.0495","0.0534","","","","","","1.063","","","","has coordinates","256206","2020-10-21","18:00:00",""
"2022249","7.9269","0.0006","11.3939","0.0008","13.6589","0.0008","78.61","0.005","81.339","0.006","70.031","0.006","1132.01","0.14","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'){μ-4-[(4-carboxybenzyloxy)methyl]benzoato-κ<i>O</i>}silver(I)](<i>Ag</i>—<i>Ag</i>)","","- C26 H21 Ag N2 O5 -","- C26 H21 Ag N2 O5 -","- C52 H42 Ag2 N4 O10 -","2","1","DG3009","Chen, Zhao; Zhang, Zilong; Zhang, Chong; Xiao, Yu","A new ladder-type silver(I) coordination polymer with 4,4'-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis","Acta Crystallographica Section C","2020","76","10","952","957","10.1107/S2053229620011882","","","0.71073","MoKα","","0.0979","0.0512","","","0.0898","0.1151","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","259026","2020-11-06","23:56:04",""
"2022250","9.9167","0.0005","6.9587","0.0005","23.2803","0.0015","90","","96.988","0.006","90","","1594.58","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0978","0.0471","","","0.0869","0.1075","","","","","","0.998","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022251","25.9293","0.0007","8.8657","0.0003","14.3503","0.0005","90","","90","","90","","3298.87","0.18","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0517","0.0381","","","0.0857","0.0929","","","","","","1.042","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022252","7.7416","0.0016","8.9487","0.0018","17.168","0.003","90","","90","","90","","1189.4","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methylenebis(5-amino-1,2,4-triazol-4-ium) dinitrate","","- C5 H10 N10 O6 -","- C5 H10 N10 O6 -","- C20 H40 N40 O24 -","4","0.5","WP3010","Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun","Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate","Acta Crystallographica Section C","2020","76","10","965","971","10.1107/S2053229620012516","","","0.71073","MoKα","","0.0435","0.0359","","","0.0964","0.1029","","","","","","1.035","","","","has coordinates,has Fobs","259027","2020-11-06","23:56:11",""
"2022253","21.2141","0.0009","5.537","0.0003","15.3045","0.0008","90","","90.31","0.002","90","","1797.68","0.16","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Poly[di-μ-aqua-diaqua(μ~4~-azobenzene-3,3'-disulfonato)disodium(I)]","Poly[di-μ-aqua-diaqua[μ~4~-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]disodium(I)]","","- C12 H16 N2 Na2 O10 S2 -","- C12 H16 N2 Na2 O10 S2 -","- C48 H64 N8 Na8 O40 S8 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0599","0.0379","","","0.0824","0.0904","","","","","","1.039","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022254","6.3875","0.0002","6.747","0.0002","11.303","0.0005","94.289","0.002","103.16","0.002","108.456","0.002","444.21","0.03","123","2","123","2","","","","","","","","6","P -1","-P 1","2","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-azobenzene-3,3'-disulfonato]","<i>catena</i>-Poly[[tetraaquacalcium(II)]-μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]","","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","- C12 H16 Ca N2 O10 S2 -","1","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0344","0.027","","","0.0654","0.0695","","","","","","1.05","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022255","13.9454","0.0018","19.517","0.003","6.9014","0.0009","90","","93.838","0.002","90","","1874.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaquacalcium(II)]-μ-2-(4-amino-3-sulfonatophenyl)-\ 1-(4-sulfonatophenyl)diazenium] dihydrate]","","- C12 H18 N3 Na O10 S2 -","- C12 H18 N3 Na O10 S2 -","- C48 H72 N12 Na4 O40 S8 -","4","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.6775","synchrotron","","0.0559","0.0397","","","0.0994","0.1073","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022256","36.896","0.003","6.7806","0.0004","17.914","0.0012","90","","111.178","0.009","90","","4179","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexaaquamagnesium bis{2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium} octahydrate","","- C24 H48 Mg N6 O26 S4 -","- C24 H47.9988 Mg N6 O26 S4 -","- C96 H191.995 Mg4 N24 O104 S16 -","4","0.5","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","1.5418","CuKα","","0.0645","0.0503","","","0.1281","0.1429","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","259028","2020-11-06","23:56:24",""
"2022257","7.1293","0.0004","18.8368","0.0011","34.752","0.002","90","","90","","90","","4667","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Poly[(μ~2~-4-amino-2-methyl-5-methoxyazobenzene-2',4'-disulfonato)di-μ-aqua-diaquabarium(II)] dihydrate]","Poly[[{μ~2~-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate]","","- C14 H25 Ba N3 O13 S2 -","- C14 H25 Ba N3 O13 S2 -","- C112 H200 Ba8 N24 O104 S16 -","8","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0621","0.042","","","0.0877","0.0957","","","","","","1.146","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022258","12.3766","0.0003","10.7745","0.0002","9.205","0.0002","90","","104.777","0.002","90","","1186.9","0.05","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-Disulfanediylbis(pyrimidine-4,6-diamine)","","- C8 H10 N8 S2 -","- C8 H10 N8 S2 -","- C32 H40 N32 S8 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.059","0.0591","","","","","","1.073","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022259","36.9868","0.001","15.5842","0.0004","4.2131","0.0001","90","","90","","90","","2428.47","0.11","130","1","130","1","","","","","","","","4","F d d 2","F 2 -2d","43","","2,2'-[Methanediylbis(sulfanediyl)]bis(pyrimidine-4,6-diamine)","","- C9 H12 N8 S2 -","- C9 H12 N8 S2 -","- C72 H96 N64 S16 -","8","0.5","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0232","0.0228","","","0.062","0.0622","","","","","","1.057","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022260","8.6783","0.0004","9.1691","0.0006","11.4391","0.0006","90","","97.846","0.004","90","","901.71","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Methoxymethyl)sulfanyl]pyrimidine-4,6-diamine","","- C6 H10 N4 O S -","- C6 H10 N4 O S -","- C24 H40 N16 O4 S4 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","","0.71073","MoKα","","0.0754","0.0501","","","0.1133","0.1314","","","","","","1.028","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022261","6.9631","0.0008","8.035","0.001","8.0886","0.001","103.021","0.01","111.568","0.011","106.007","0.01","376.56","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[(μ-4,6-diaminopyrimidine-2-sulfinato)potassium(I)]","","- C4 H5 K N4 O2 S -","- C4 H5 K N4 O2 S -","- C8 H10 K2 N8 O4 S2 -","2","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","0.71073","MoKα","","0.0388","0.0329","","","0.0852","0.0896","","","","","","1.081","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022262","7.4469","0.0002","27.9271","0.0011","14.3092","0.0005","90","","90","","90","","2975.89","0.18","147","2","147","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Dichlorido[(<i>E</i>)-4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline]platinum(II) acetonitrile hemisolvate","","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C104 H84 Cl16 N28 O16 Pt8 -","8","1","DV3003","Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.","Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity","Acta Crystallographica Section C","2020","76","11","","","10.1107/S205322962001308X","","","0.71073","MoKα","","0.0598","0.0394","","","0.0622","0.0687","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","258296","2020-10-21","18:00:00",""
"2022263","9.0047","0.0008","16.5608","0.0017","19.4709","0.0018","90","","107.493","0.004","90","","2769.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~2~-heptanedioato)cadmium(II)] tetrahydrate]","","- C25 H36 Cd N4 O8 -","- C25 H36 Cd N4 O8 -","- C100 H144 Cd4 N16 O32 -","4","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0801","0.0512","","","0.0812","0.0915","","","","","","1.106","","","","has coordinates,has Fobs","258572","2020-10-23","04:34:42",""
"2022264","8.2423","0.0006","10.6568","0.0007","12.4175","0.001","105.466","0.004","92.7","0.004","103.416","0.004","1015.6","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~4~-decanedioato)(2̃~-decanedioato)dicadmium(II)]","","- C19 H27 Cd N2 O5 -","- C19 H27 Cd N2 O5 -","- C38 H54 Cd2 N4 O10 -","2","1","SK3754","Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin","Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013698","","","0.71073","MoKα","","0.0575","0.0384","","","0.0805","0.0879","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","258572","2020-10-23","04:34:44",""
"2022265","11.1584","0.0008","13.6425","0.0014","36.061","0.004","90","","90","","90","","5489.5","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bedaquline","1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)- 2-(naphthalen-1-yl)-1-phenylbutan-2-ol","","- C32 H31 Br N2 O2 -","- C32 H31 Br N2 O2 -","- C256 H248 Br8 N16 O16 -","8","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0836","0.0441","","","0.0985","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:22",""
"2022266","16.4556","0.0006","10.3205","0.0003","20.1636","0.0008","90","","109.183","0.0015","90","","3234.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium 3-carboxyprop-2-enoate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0664","0.0431","","","0.1067","0.1174","","","","","","1.057","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:26",""
"2022267","4.3606","0.0006","10.82","0.002","29.886","0.011","90","","90","","90","","1410.1","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzyl-6-bromo-2-methoxyquinoline","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0314","0.0234","","","0.054","0.0565","","","","","","1.051","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:27",""
"2022268","12.6384","0.0005","7.9259","0.0003","17.5249","0.0008","90","","99.845","0.0017","90","","1729.63","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate 1.166-hydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate hydrate","","- C39 H39.34 Br N2 O5.17 -","- C39 H39.332 Br N2 O5.166 -","- C78 H78.664 Br2 N4 O10.332 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0509","0.0318","","","0.0671","0.0725","","","","","","1.025","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:29",""
"2022269","12.8661","0.0008","8.0386","0.0005","17.4704","0.001","90","","101.093","0.003","90","","1773.12","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaqulinium benzoate acetonitrile 0.742-solvate monohydrate","[4-(6-Bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium benzoate acetonitrile 0.742-solvate monohydrate","","- C40.48 H41.23 Br N2.74 O5 -","- C40.484 H41.226 Br N2.742 O5 -","- C80.968 H82.452 Br2 N5.484 O10 -","2","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","1.54178","CuKα","","0.0398","0.0347","","","0.0808","0.0847","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","258573","2020-10-23","04:36:31",""
"2022270","3.96521","0.00009","16.7005","0.0004","12.4252","0.0002","90","","91.185","0.002","90","","822.63","0.03","100","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(2,4-Dichlorophenyl)- 3-[4-(morpholin-4-yl)phenyl]prop-2-en-1-one","","- C19 H17 Cl2 N O2 -","- C19 H17 Cl2 N O2 -","- C38 H34 Cl4 N2 O4 -","2","1","KY3199","Alsafi, Mona A.; Hughes, David L.; Said, Musa A.","First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study","Acta Crystallographica Section C Structural Chemistry","2020","76","12","","","10.1107/S2053229620014217","","x-ray","1.54184","CuKα","","0.0239","0.0237","","","0.0643","0.0644","","","","","","1.07","","","","has coordinates,has Fobs","258773","2020-11-06","05:08:35",""
"2022271","6.9363","0.0003","15.9791","0.0007","16.9786","0.0007","90.844","0.001","93.106","0.001","98.296","0.002","1858.93","0.14","109","2","109","2","","","","","","","","5","P -1","-P 1","2","HL-I-193-B-1","Poly[[undecaaquabis(μ-4,5-dioxo-4,5-dihydro-1<i>H</i>-pyrrolo[2,3-<i>f</i>]quinoline-2,7,9-tricarboxylato)tricalcium(II)] dihydrate]","","- C28 H32 Ca3 N4 O29 -","- C28 H32 Ca3 N4 O29 -","- C56 H64 Ca6 N8 O58 -","2","1","YO3076","Lumpe, Henning; Mayer, Peter; Daumann, Lena J.","Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014278","","","0.71073","MoKα","","0.0389","0.0306","","","0.0683","0.0717","","","","","","1.04","","","","has coordinates,has Fobs","258774","2020-11-06","05:09:11",""
"2022272","8.6186","0.0007","12.25","0.001","13.5681","0.0011","90","","90","","90","","1432.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichloridobis(diethyl ether)oxidomolybdenum(V)","","- C8 H20 Cl3 Mo O3 -","- C8 H20 Cl3 Mo O3 -","- C32 H80 Cl12 Mo4 O12 -","4","1","EF3009","Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel","Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)","Acta Crystallographica Section C","2020","76","10","947","951","10.1107/S2053229620011626","","","0.71073","MoKα","","0.0362","0.0327","","","0.0678","0.0692","","","","","","1.009","","","","has coordinates,has Fobs","259015","2020-11-06","22:58:30",""
"2022273","11.071","0.002","18.892","0.004","13.115","0.003","90","","123.29","0.03","90","","2292.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z‒Gly‒Aib‒Gly‒Aib‒OH","<i>N</i>-(Benzoyloxycarbonyl)glycyl-α-aminoisobutyrylglycyl-α-aminoisobutyric acid","","- C20 H30 N4 O8 -","- C20 H30 N4 O8 -","- C80 H120 N16 O32 -","4","1","KU3268","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014254","","","1.54181","CuKα","","0.0394","0.0387","","","0.0998","0.1005","","","","","","1.041","","","","has coordinates,has Fobs","259056","2020-11-10","05:01:57",""
"2022274","19.3159","0.0008","15.0183","0.0005","19.6537","0.001","90","","90","","90","","5701.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Mo6O19.H2TCPP.5H2O","5,10,15,20-Tetrakis(4-carboxyphenyl)-21<i>H</i>,22<i>H</i>,23<i>H</i>, \24<i>H</i>-porphine(2+) hexamolybdate(VI) pentahydrate","","- C48 H42 Mo6 N4 O32 -","- C48 H41 Mo6 N4 O32 -","- C192 H164 Mo24 N16 O128 -","4","0.5","ZO3009","Chen, Wen-Tong","Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014461","","","0.71073","MoKα","","0.2046","0.0922","","","0.1374","0.1748","","","","","","1.007","","","","has coordinates,has Fobs","259057","2020-11-10","05:02:31",""
"2022275","11.0556","0.001","9.5218","0.0009","18.2923","0.0017","90","","100.732","0.003","90","","1891.9","0.3","298","2","298.42","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ-bis(pyridin-4-yl)amine-κ^2^<i>N</i>:<i>N</i>'](μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)zinc(II)] 0.5-hydrate]","","- C22 H16 N3 O4.5 Zn -","- C22 H16 N3 O4.5 Zn -","- C88 H64 N12 O18 Zn4 -","4","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0306","0.0252","","","0.0608","0.0629","","","","","","1.079","","","","has coordinates,has Fobs","259241","2020-11-25","05:09:51",""
"2022276","11.0642","0.0004","11.1234","0.0004","11.6697","0.0004","61.912","0.001","86.182","0.001","80.602","0.001","1249.97","0.08","150","2","149.94","","","","","","","","","5","P -1","-P 1","2","","Poly[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)hemi(μ-naphthalene-2,6-\# dicarboxylic acid-κ^2^<i>O</i>^2^:<i>O</i>^6^)copper(II)]","","- C30 H22 Cu N2 O6 -","- C30 H22 Cu N2 O6 -","- C60 H44 Cu2 N4 O12 -","2","1","QF3043","Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun","Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620015260","","","0.71073","MoKα","","0.0352","0.0262","","","0.063","0.0646","","","","","","0.789","","","","has coordinates,has disorder,has Fobs","259241","2020-11-25","05:09:53",""
"2022277","13.574","0.003","13.829","0.003","14.657","0.003","79.013","0.006","87.544","0.009","83.381","0.008","2682.3","1","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[3,4,5-tris(benzyloxy)benzoate]","","- C66 H56 O10 -","- C66 H56 O10 -","- C132 H112 O20 -","2","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","x-ray","0.71075","MoKα","","0.0961","0.0559","","","0.1182","0.1405","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","259242","2020-11-25","05:11:31",""
"2022278","12.147","0.008","20.697","0.013","12.702","0.009","90","","117.432","0.005","90","","2834","3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trimethoxybenzoate)","","- C30 H32 O10 -","- C30 H32 O10 -","- C120 H128 O40 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.1139","0.0696","","","0.1431","0.1635","","","","","","1.154","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:35",""
"2022279","30.399","0.01","9.176","0.003","14.994","0.005","90","","97.204","0.004","90","","4149","2","193.4","","193.4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0572","0.041","","","0.1111","0.1204","","","","","","1.006","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:43",""
"2022280","10.239","0.004","13.056","0.005","23.923","0.009","86.992","0.011","89.198","0.01","73.621","0.006","3064","2","193.4","","193.4","","","","","","","","","3","P -1","-P 1","2","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis[4-(benzyloxy)benzoate]","","- C38 H32 O6 -","- C38 H32 O6 -","- C152 H128 O24 -","4","2","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.093","0.05","","","0.1153","0.1393","","","","","","0.993","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:47",""
"2022281","9.033","0.003","6.427","0.002","37.08","0.014","90","","91.948","0.007","90","","2151.4","1.3","193.4","","193.4","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(4-methoxybenzoate)","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.0487","0.0425","","","0.1099","0.1159","","","","","","1.044","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:57",""
"2022282","23.308","0.01","7.132","0.003","27.253","0.009","90","","112.62","0.03","90","","4182","3","193.4","","193.4","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(2,4,6-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.062","0.0464","","","0.1131","0.1234","","","","","","1.134","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:58",""
"2022283","13.5302","0.0004","4.6101","0.0001","19.3371","0.0006","90","","103.603","0.001","90","","1172.33","0.06","213","2","212.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H24 N2 O9 -","- C27 H24 N2 O9 -","- C54 H48 N4 O18 -","2","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54178","CuKα","","0.0293","0.0277","","","0.0732","0.0746","","","","","","1.0723","","","","has coordinates,has disorder,has Fobs","259255","2020-11-26","05:08:43",""
"2022284","40.6637","0.0009","4.52749","0.00012","12.7049","0.0003","90","","98.027","0.002","90","","2316.11","0.1","100.01","0.1","100","","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione","","- C27 H23 Cl N2 O9 -","- C27 H23 Cl N2 O9 -","- C108 H92 Cl4 N8 O36 -","4","1","JX3059","Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.","Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality","Acta Crystallographica Section C","2020","76","12","1100","1107","10.1107/S2053229620015041","","","1.54184","CuKα","","0.039","0.034","","","0.0798","0.0823","","","","","","1.017","","","","has coordinates,has Fobs","259255","2020-11-26","05:08:45",""
"2022285","13.6842","0.0005","8.5302","0.0003","8.9518","0.0003","90","","107.996","0.004","90","","993.81","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(3-fluorocyclobutylammonium) tetraiodidoplumbate(VI)","Poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","","- C8 H18 F2 I4 N2 Pb -","- C8 H18 F2 I4 N2 Pb -","- C16 H36 F4 I8 N4 Pb2 -","2","0.5","QF3046","Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong","A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]","Acta Crystallographica Section C","2020","76","12","1096","1099","10.1107/S2053229620015272","","","0.71073","MoKα","","0.0379","0.0321","","","0.0794","0.0815","","","","","","1.001","","","","has coordinates,has Fobs","259256","2020-11-26","05:09:15",""
"2022286","6.241","0.0007","7.242","0.0008","16.709","0.002","84.408","0.009","89.142","0.009","65.933","0.008","686.02","0.14","125","","125","","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-<i>o</i>-iodophenylthiourea","1-Benzoyl-3-(2-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C28 H22 I2 N4 O2 S2 -","2","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","","0.71073","MoKα","","0.0284","0.0276","","","0.0715","0.0721","","","","","","1.068","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022287","4.5639","0.0005","15.375","0.003","19.355","0.002","90","","91.404","0.009","90","","1357.7","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-iodophenylthiourea","1-Benzoyl-3-(3-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C56 H44 I4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0583","0.0536","","","0.1381","0.1476","","","","","","1.07","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022288","4.4279","0.0005","13.0767","0.0014","13.441","0.0014","61.622","0.007","86.203","0.009","85.241","0.009","682.06","0.14","120","2","120","","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-<i>p</i>-iodophenylthiourea","1-Benzoyl-3-(4-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C28 H22 I2 N4 O2 S2 -","2","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","","0.71073","MoKα","","0.0234","0.0209","","","0.0532","0.0542","","","","","","1.045","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022289","3.9592","0.0004","15.142","0.002","22.25","0.002","90","","95.183","0.008","90","","1328.4","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-Benzoyl-3-<i>o</i>-bromophenylthiourea","1-Benzoyl-3-(2-bromophenyl)thiourea","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0626","0.0492","","","0.127","0.145","","","","","","1.069","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022290","4.6404","0.0007","15.017","0.002","19.074","0.003","90","","91.052","0.012","90","","1328.9","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-bromophenylthiourea","1-Benzoyl-3-(3-bromophenyl)thiourea","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0761","0.0656","","","0.1674","0.1832","","","","","","1.021","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022291","6.4618","0.0001","6.4618","0.0001","7.7333","0.0002","90","","90","","90","","322.903","0.011","296","2","296","2","","","","","","","","4","I -4 2 m","I -4 2","121","lithium lead silicon sulfide","Dilithium lead silicon tetrasulfide","","- Li2 Pb S4 Si -","- Li2 Pb S4 Si -","- Li4 Pb2 S8 Si2 -","2","0.125","KU3266","Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A.","Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure","Acta Crystallographica Section C","2021","77","1","1","10","10.1107/S2053229620015338","","","0.71073","MoKα","","0.0157","0.0155","","","0.0278","0.0278","","","","","","1.011","","","","has coordinates,has Fobs","261800","2021-02-05","14:53:37",""
"2022292","4.4041","0.0004","27.8787","0.0018","9.3533","0.0008","90","","100.816","0.007","90","","1128","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.0912","0.0635","","","0.1568","0.1956","","","","","","1.042","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:07",""
"2022293","12.2191","0.0013","8.1593","0.0009","22.788","0.002","90","","90","","90","","2271.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.085","0.0539","","","0.1326","0.1583","","","","","","1.046","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:11",""
"2022295","12.2768","0.0003","4.4829","0.0001","19.6694","0.0004","90","","90","","90","","1082.52","0.04","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.0236","0.0219","","","0.0518","0.0529","","","","","","1.054","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:12",""
"2022296","25.8944","0.0013","6.9439","0.0004","6.1499","0.0004","90","","91.381","0.005","90","","1105.48","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.042","0.039","","","0.0958","0.0995","","","","","","1.053","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:15",""
"2022297","3.9876","0.0005","10.6511","0.0013","25.107","0.002","90","","90","","90","","1066.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C44 H40 N8 O8 S4 -","4","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.0708","0.0551","","","0.1409","0.1609","","","","","","1.075","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022298","6.921","0.0009","7.2371","0.0017","42.396","0.008","90","","90","","90","","2123.5","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C88 H80 N16 O16 S8 -","8","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.09","0.0561","","","0.1291","0.146","","","","","","1.044","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022299","43.803","0.004","4.6835","0.0005","12.2643","0.001","90","","96.105","0.002","90","","2501.8","0.4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Azanium 4-{[(2-hydroxyphenyl)methylidene]amino}benzoate","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","DG3013","Sugiyama, Haruki; Uekusa, Hidehiro","Two-step crystal‒crystal phase transformation of <i>N</i>-salicylidene-<i>p</i>-aminobenzoic acid by gas‒solid reaction with aqua‒ammonia vapour","Acta Crystallographica Section C","2021","77","1","56","60","10.1107/S2053229620016411","","","0.71075","MoKα","","0.0745","0.0571","","","0.1398","0.1547","","","","","","1.077","","","","has coordinates,has Fobs","260145","2020-12-24","05:53:54",""
"2022300","12.3039","0.0004","6.4431","0.0002","25.9547","0.0007","90","","94.145","0.003","90","","2052.18","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trithiocyanuric acid‒2,2'-bipyridine (2/1)","1,3,5-Triazinane-2,4,6-trithione‒2,2'-bipyridine (2/1)","","- C16 H14 N8 S6 -","- C16 H14 N8 S6 -","- C64 H56 N32 S24 -","4","0.5","DG3012","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin","Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms","Acta Crystallographica Section C","2021","77","1","49","55","10.1107/S2053229620016137","","","1.54184","CuKα","","0.0484","0.0438","","","0.1165","0.1195","","","","","","1.132","","","","has coordinates,has Fobs","260341","2021-01-01","08:38:35",""
"2022301","24.5777","0.0004","8.9406","0.0001","13.3772","0.0002","90","","93.313","0.002","90","","2934.59","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trithiocyanuric acid‒4-methylbenzohydrazide (1/1)","1,3,5-Triazinane-2,4,6-trithione‒4-methylbenzohydrazide (1/1)","","- C11 H13 N5 O S3 -","- C11 H13 N5 O S3 -","- C88 H104 N40 O8 S24 -","8","2","DG3012","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin","Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms","Acta Crystallographica Section C","2021","77","1","49","55","10.1107/S2053229620016137","","","1.54184","CuKα","","0.0453","0.0396","","","0.1051","0.1086","","","","","","1.048","","","","has coordinates,has Fobs","260341","2021-01-01","08:38:36",""
"2022302","13.7529","0.0008","6.6451","0.0004","12.2086","0.0009","90","","93.634","0.006","90","","1113.49","0.12","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-{2-[(Pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","x-ray","1.54184","CuKα","","0.06","0.0489","","","0.1249","0.1393","","","","","","1.037","","","","has coordinates,has Fobs","260342","2021-01-01","08:40:09",""
"2022303","30.503","0.004","8.8791","0.0011","15.4063","0.0017","90","","116.856","0.005","90","","3722.6","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[dichloridozinc(II)] dichloromethane disolvate","","- C26 H24 Cl8 N12 Zn2 -","- C26 H24 Cl8 N12 Zn2 -","- C104 H96 Cl32 N48 Zn8 -","4","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0597","0.0452","","","0.1299","0.1393","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:09",""
"2022304","13.414","0.009","18.504","0.012","14.674","0.01","90","","105.834","0.009","90","","3504","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[dichloridozinc(II)] chloroform monosolvate","","- C50 H42 Cl14 N24 Zn4 -","- C50 H42 Cl14 N24 Zn4 -","- C100 H84 Cl28 N48 Zn8 -","2","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0586","0.0378","","","0.09","0.0953","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022305","30.312","0.01","9.461","0.003","15.434","0.005","90","","114.625","0.004","90","","4024","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[diiodidozinc(II)] dichloromethane disolvate","","- C26 H24 Cl4 I4 N12 Zn2 -","- C26 H24 Cl4 I4 N12 Zn2 -","- C104 H96 Cl16 I16 N48 Zn8 -","4","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0671","0.0517","","","0.1658","0.1776","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022306","9.804","0.013","11.35","0.014","11.35","0.014","69.43","0.014","65.912","0.018","65.912","0.018","1026","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diiodidozinc(II)]-μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine] chloroform monosolvate]","","- C13 H11 Cl3 I2 N6 Zn -","- C13 H11 Cl3 I2 N6 Zn -","- C26 H22 Cl6 I4 N12 Zn2 -","2","1","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.1638","0.1308","","","0.3222","0.3469","","","","","","1.228","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022307","11.95","0.002","12.443","0.003","13.06","0.003","83.43","0.03","86.3","0.03","83.76","0.03","1915.1","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[μ~2~-1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-di-μ~2~-iodido-[1-(pyridin-3-yl)ethan-1-one-κ<i>N</i>]tetracopper(I) dichloromethane disolvate","","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","1","0.5","KY3202","Cao, Bing-Jun; Li, Ran; Huang, Xi-He","Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands","Acta Crystallographica Section C","2021","77","2","61","67","10.1107/S2053229620016745","","","0.71073","MoKα","","0.0843","0.0516","","","0.1063","0.1214","","","","","","1.025","","","","has coordinates,has Fobs","262766","2021-03-05","18:42:06",""
"2022308","11.981","0.002","12.996","0.003","13.23","0.003","62.49","0.03","68.32","0.03","83.71","0.03","1693.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[μ~2~-1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-di-μ~2~-iodido-[1-(pyridin-4-yl)ethan-1-one-κ<i>N</i>]tetracopper(I)","","- C68 H66 Cu4 I4 N2 O2 P4 -","- C68 H66 Cu4 I4 N2 O2 P4 -","- C68 H66 Cu4 I4 N2 O2 P4 -","1","0.5","KY3202","Cao, Bing-Jun; Li, Ran; Huang, Xi-He","Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands","Acta Crystallographica Section C","2021","77","2","61","67","10.1107/S2053229620016745","","","0.71073","MoKα","","0.1266","0.0642","","","0.1254","0.1539","","","","","","1.038","","","","has coordinates,has Fobs","262766","2021-03-05","18:42:07",""
"2022309","10.9199","0.0003","13.1459","0.0003","17.8167","0.0005","90","","107.328","0.003","90","","2441.54","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dipropylammonium) tetrachloridodimethylstannate(IV)","","- C14 H38 Cl4 N2 Sn -","- C14 H38 Cl4 N2 Sn -","- C56 H152 Cl16 N8 Sn4 -","4","1","CU3168","Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan","Conformational analysis of two new organotin(IV) structures completed with a CSD survey","Acta Crystallographica Section C","2021","77","2","68","80","10.1107/S2053229620016502","","","0.71073","MoKα","","0.0412","0.0306","","","0.0655","0.0706","","","","","","1.061","","","","has coordinates,has Fobs","262765","2021-03-05","18:41:59",""
"2022310","15.4589","0.0004","8.1983","0.0003","20.6655","0.0006","90","","106.556","0.002","90","","2510.49","0.14","120","0.1","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichloridodimethylbis[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2-chlorobenzyl)phosphoric triamide]tin(IV)","","- C44 H48 Cl8 N6 O2 P2 Sn -","- C44 H48 Cl8 N6 O2 P2 Sn -","- C88 H96 Cl16 N12 O4 P4 Sn2 -","2","0.5","CU3168","Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan","Conformational analysis of two new organotin(IV) structures completed with a CSD survey","Acta Crystallographica Section C","2021","77","2","68","80","10.1107/S2053229620016502","","x-ray","1.54184","CuKα","","0.0266","0.0234","","","0.0559","0.0581","","","","1.32","1.32","1.31","","","","has coordinates","262765","2021-03-05","18:41:59",""
"2022311","11.4069","0.0004","17.9819","0.0007","19.1565","0.0007","90","","90","","90","","3929.3","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Skell, Jeffrey M.; Kahn, Michael; Foxman, Bruce M.","Δ^9^-Tetrahydrocannabinolic acid A, the precursor to Δ^9^-tetrahydrocannabinol (THC)","Acta Crystallographica Section C","2021","77","2","84","89","10.1107/S2053229621000280","","","0.71073","MoKα","","0.0357","0.0333","","0.0863","0.0838","0.0863","","","","","","0.9977","","","","has coordinates","262763","2021-03-05","18:41:44",""
"2022312","6.0581","0.0017","15.045","0.004","7.94","0.002","90","","90","","90","","723.7","0.3","120","2","120","2","","","","","","","","3","C m c e","-C 2ac 2","64","","Dicerium trialuminium tetragermanide","","- Al3 Ce2 Ge4 -","- Al3 Ce2 Ge4 -","- Al12 Ce8 Ge16 -","4","0.25","OV3145","Tobash, Paul; Bobev, Svilen","The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data","Acta Crystallographica Section C","2021","77","2","81","83","10.1107/S2053229621000383","","","0.71073","MoKα","","0.0245","0.0219","","","0.0492","0.05","","","","","","1.071","","","","has coordinates,has Fobs","262764","2021-03-05","18:41:50",""
"2022313","8.3359","0.0002","17.0987","0.0005","6.5405","0.0002","90","","110.687","0.002","90","","872.13","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~6~-benzene-1,2,4,5-tetracarboxylic acid-κ^8^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^5'^)(μ-but-2-enedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)potassium(I)]","","- C14 H12 K2 O14 -","- C14 H12 K2 O14 -","- C28 H24 K4 O28 -","2","0.5","OC3008","Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties","Acta Crystallographica Section C","2021","77","2","90","99","10.1107/S2053229621000085","","x-ray","0.71073","MoKα","","0.0527","0.0405","","","0.1079","0.1195","","","","","","1.061","","","","has coordinates,has Fobs","262769","2021-03-05","18:42:30",""
"2022314","7.0691","0.0011","7.8482","0.0012","7.9767","0.0012","99.938","0.007","107.918","0.006","101.824","0.006","398.74","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[aqua(μ~8~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^12^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4'^,<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5'^)strontium(II)]","","- C12 H8 O14 Sr2 -","- C12 H8 O14 Sr2 -","- C12 H8 O14 Sr2 -","1","0.5","OC3008","Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties","Acta Crystallographica Section C","2021","77","2","90","99","10.1107/S2053229621000085","","x-ray","0.71073","MoKα","","0.0142","0.0134","","","0.0341","0.0343","","","","","","1.057","","","","has coordinates,has Fobs","262769","2021-03-05","18:42:30",""
"2022315","9.874","0.003","4.5259","0.0012","24.792","0.007","90","","94.393","0.005","90","","1104.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(Pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0953","0.0515","","","0.1282","0.1482","","","","","","1.06","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022316","12.9256","0.0018","14.278","0.002","17.022","0.002","75.82","0.002","78.056","0.002","73.644","0.002","2890.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)","","- C11 H15 Cl2 Mn N3 O2 -","- C11 H15 Cl2 Mn N3 O2 -","- C88 H120 Cl16 Mn8 N24 O16 -","8","4","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0587","0.042","","","0.1086","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022317","7.2639","0.0012","24.655","0.004","9.471","0.0016","90","","98.994","0.003","90","","1675.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}bis[dithiocyanatomanganese(II)]","","- C26 H30 Mn2 N10 O4 S4 -","- C26 H30 Mn2 N10 O4 S4 -","- C52 H60 Mn4 N20 O8 S8 -","2","0.5","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0585","0.0386","","","0.0823","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022318","10.9211","0.0008","12.0382","0.0009","15.3331","0.0011","90","","109.83","0.001","90","","1896.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{1,1'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-2-ol)}manganese(II) chloride monohydrate","","- C13 H23 Cl2 Mn N3 O4 -","- C13 H23 Cl2 Mn N3 O4 -","- C52 H92 Cl8 Mn4 N12 O16 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0579","0.0422","","","0.1074","0.1182","","","","","","1.029","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022319","14.4544","0.0006","8.6208","0.0004","16.9691","0.0007","90","","112.426","0.001","90","","1954.58","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquadichlorido{2,2'-dimethyl-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-1-ol)}manganese(II) 0.3-hydrate","","- C15 H25.6 Cl2 Mn N3 O3.3 -","- C15 H25.6 Cl2 Mn N3 O3.3 -","- C60 H102.4 Cl8 Mn4 N12 O13.2 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0351","0.0293","","","0.0728","0.0758","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","262762","2021-03-05","18:41:34",""
"2022320","8.5916","0.0004","8.2974","0.0004","35.1501","0.0018","90","","91.731","0.001","90","","2504.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethylformamide){2,2'-dimethyl-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-1-ol)}dithiocyanatomanganese(II)","","- C20 H30 Mn N6 O3 S2 -","- C20 H30 Mn N6 O3 S2 -","- C80 H120 Mn4 N24 O12 S8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0398","0.0298","","","0.0762","0.0884","","","","","","1.103","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022321","14.9551","0.0012","11.0509","0.0009","18.4767","0.0014","90","","100.043","0.001","90","","3006.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethylformamide){2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(butan-1-ol)}dithiocyanatomanganese(II) dimethylformamide monosolvate","","- C23 H37 Mn N7 O4 S2 -","- C23 H37 Mn N7 O4 S2 -","- C92 H148 Mn4 N28 O16 S8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0664","0.0461","","","0.1207","0.1392","","","","","","1.063","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022322","29.76986","0.00018","8.91767","0.00004","14.70912","0.00008","90","","99.2973","0.0006","90","","3853.65","0.04","100","0.2","100","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","OV3144","Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.","Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section C","2021","77","2","111","115","10.1107/S2053229621000590","","x-ray","1.54184","CuKα","","0.04","0.0387","","","0.1007","0.1017","","","","","","1.034","","","","has coordinates,has Fobs","262768","2021-03-05","18:42:24",""
"2022323","13.8413","0.0001","8.9901","0.0001","21.868","0.0002","90","","103.683","0.001","90","","2643.91","0.04","100.2","0.7","100.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane‒4,6-dichlorobenzene-1,3-diol‒water (1/1/1)","","- C30 H26 Cl2 N4 O3 -","- C30 H26 Cl2 N4 O3 -","- C120 H104 Cl8 N16 O12 -","4","1","OV3144","Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.","Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section C","2021","77","2","111","115","10.1107/S2053229621000590","","x-ray","1.54184","CuKα","","0.0309","0.0296","","","0.0774","0.0783","","","","","","1.092","","","","has coordinates,has Fobs","262768","2021-03-05","18:42:24",""
"2022324","7.4532","0.00017","8.26902","0.00019","23.1876","0.0006","90","","97.362","0.002","90","","1417.29","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Acriflavinium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","3,6-Diamino-10-methylacridin-10-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","","- C28 H23 N7 O13 -","- C28 H23 N7 O13 -","- C56 H46 N14 O26 -","2","1","EF3011","Marczak, Maria; Biereg, Kinga; Zadykowicz, Beata; Sikorski, Artur","Structural characterization and theoretical calculations of the monohydrate of the 1:2 cocrystal salt formed from acriflavine and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2021","77","2","116","122","10.1107/S2053229621000681","","","0.71073","MoKα","","0.0353","0.0344","","","0.0894","0.0901","","","","","","1.059","","","","has coordinates,has Fobs","262767","2021-03-05","18:42:14",""
"2022325","5.72152","0.00009","7.90017","0.00017","20.2729","0.0004","90","","90","","90","","916.35","0.03","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-4-nitroanilinium bromide","","- C6 H6 Br Cl N2 O2 -","- C6 H6 Br Cl N2 O2 -","- C24 H24 Br4 Cl4 N8 O8 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0366","0.0278","","","0.0598","0.0623","","","","","","1.127","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:16",""
"2022326","16.1771","0.0006","4.95335","0.00016","12.8431","0.0005","90","","101.584","0.004","90","","1008.17","0.06","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-4-nitroanilinium hydrogen sulfate","","- C6 H7 Cl N2 O6 S -","- C6 H7 Cl N2 O6 S -","- C24 H28 Cl4 N8 O24 S4 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.049","0.0359","","","0.0921","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022327","6.892","0.0002","7.7281","0.0003","8.921","0.0002","76.646","0.003","73.897","0.002","76.045","0.002","436.12","0.02","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","2-Methyl-6-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C14 H18 Br2 N4 O4 -","2","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0342","0.0262","","","0.0585","0.0608","","","","","","1.109","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022328","7.084","0.0002","11.5247","0.0004","16.3921","0.0006","90","","98.738","0.003","90","","1322.73","0.08","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-nitroanilinium triiodide","","- C7 H9 I3 N2 O2 -","- C7 H9 I3 N2 O2 -","- C28 H36 I12 N8 O8 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0787","0.0306","","","0.0551","0.0586","","","","","","0.8","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022329","7.0966","0.0005","8.3785","0.0008","17.5115","0.0018","90","","100.185","0.009","90","","1024.81","0.16","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-nitroanilinium hydrogen sulfate","","- C7 H10 N2 O6 S -","- C7 H10 N2 O6 S -","- C28 H40 N8 O24 S4 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0568","0.0442","","","0.1317","0.1356","","","","","","1.067","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022330","10.575","0.003","17.149","0.005","10.615","0.003","90","","108.434","0.014","90","","1826.3","0.9","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-(4,4,5,5-Tetramethyl-2-imidazoline-3-oxide-1-oxyl-2-yl)phenoxy]benzene-1,2-dicarbonitrile","","- C21 H19 N4 O3 -","- C21 H19 N4 O3 -","- C84 H76 N16 O12 -","4","1","EP3013","Fidan, Ismail; Onal, Emel; Hirel, Catherine","Nitroxide radicals appended to phthalonitriles: synthesis, structural characterization and photophysical properties","Acta Crystallographica Section C","2021","77","3","","","10.1107/S2053229621001832","","","0.71073","MoKα","","0.1115","0.0631","","","0.1539","0.1768","","","","","","1.061","","","","has coordinates,has Fobs","262155","2021-02-23","09:09:16",""
"2022331","7.631","0.002","10.877","0.002","36.025","0.008","90","","90","","90","","2990.2","1.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1''-(Phenylphosphanediyl)bis{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-\ (acetyloxy)ethyl]ferrocene}","","- C34 H35 Fe2 O4 P -","- C34 H35 Fe2 O4 P -","- C136 H140 Fe8 O16 P4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0984","0.0653","","","0.1108","0.1221","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022332","7.4923","0.0003","12.0133","0.0004","31.758","0.001","90","","90","","90","","2858.45","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C32 H31 Fe2 O2 P S -","- C32 H31 Fe2 O2 P S -","- C128 H124 Fe8 O8 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0449","0.0321","","","0.0583","0.0615","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022333","7.5285","0.0003","17.6463","0.0007","39.3333","0.0015","90","","90","","90","","5225.4","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monovinylmonohydroxyphosphinesulfide","[(2<i>S</i>~p~)-2-Ethenylferrocen-1-yl]{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>S</i>)-phosphane sulfide","","- C30 H29 Fe2 O P S -","- C30 H29 Fe2 O P S -","- C240 H232 Fe16 O8 P8 S8 -","8","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0747","0.0555","","","0.1256","0.1367","","","","","","1.037","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022334","7.8204","0.0011","17.835","0.003","20.394","0.002","90","","90","","90","","2844.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>R</i>)-phosphane sulfide","","- C32 H33 Fe2 O3 P S -","- C32 H33 Fe2 O3 P S -","- C128 H132 Fe8 O12 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.1139","0.054","","","0.077","0.0928","","","","","","1.019","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022335","12.3578","0.0009","14.4342","0.001","17.4796","0.0015","90","","90","","90","","3117.9","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mono-N-benzylmonovinylphosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-Benzylamino)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C37 H36 Fe2 N P S -","- C37 H36 Fe2 N P S -","- C148 H144 Fe8 N4 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0614","0.0404","","","0.0823","0.0905","","","","","","0.982","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022336","8.4709","0.0007","14.1401","0.0011","21.031","0.0017","90","","91.88","0.003","90","","2517.7","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenylphosphane sulfide","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C120 H108 Fe8 P4 S4 -","4","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0359","0.0315","","","0.069","0.0714","","","","","","1.032","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022337","14.917","0.003","13.299","0.002","27.554","0.004","90","","104.074","0.005","90","","5302.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tBudmxCr2Cl2","Di-μ-chlorido-{μ-2,2'-[(10,10-dimethyl-9<i>H</i>-xanthene-1,8-diyl)bis(5-<i>tert</i>-butyl-2<i>H</i>-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-<i>tert</i>-butyl-1<i>H</i>-pyrrol-1-ide)-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''}dichromium(II) diethyl ether monosolvate","","- C53 H66 Cl2 Cr2 N4 O2 -","- C53 H66 Cl2 Cr2 N4 O2 -","- C212 H264 Cl8 Cr8 N16 O8 -","4","1","YD3014","Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.","Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states","Acta Crystallographica Section C","2021","77","3","161","166","10.1107/S2053229621001388","","","0.71073","MoKα","","0.0579","0.0469","","","0.1256","0.133","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","262294","2021-02-27","05:47:00",""
"2022338","17.554","0.002","16.64","0.003","22.267","0.003","90","","90.785","0.005","90","","6503.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","K2tBudmxCr2Cl2","Dipotassium di-μ-chlorido-{μ-2,2'-[(10,10-dimethyl-9<i>H</i>-xanthene-1,8-diyl)bis(5-<i>tert</i>-butyl-2<i>H</i>-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-<i>tert</i>-butyl-1<i>H</i>-pyrrol-1-ide)-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''}dichromium(I)‒tetrahydrofuran‒diethyl ether (1/0/5/0.5)","","- C65 H89 Cl2 Cr2 K2 N4 O5 -","- C65 H89 Cl2 Cr2 K2 N4 O5 -","- C260 H356 Cl8 Cr8 K8 N16 O20 -","4","1","YD3014","Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.","Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states","Acta Crystallographica Section C","2021","77","3","161","166","10.1107/S2053229621001388","","","0.71073","MoKα","","0.0839","0.0667","","","0.1659","0.1741","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","262294","2021-02-27","05:47:03",""
"2022340","12.6208","0.0012","15.6878","0.0015","4.8338","0.0005","90","","90","","90","","957.06","0.16","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0359","0.0323","","","0.0779","0.0795","","","","","","1.219","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2022341","12.6427","0.001","15.6725","0.0012","4.8374","0.0004","90","","90","","90","","958.5","0.13","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co30.97 Ge13.25 Mn29.79 -","- Co30.96 Ge13.248 Mn29.792 -","- Co30.96 Ge13.248 Mn29.792 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0265","0.0219","","","0.0502","0.0515","","","","","","1.103","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2022342","6.02813","0.00013","6.02813","0.00013","7.24883","0.00016","90","","90","","120","","228.12","0.009","293","2","293","2","","","","","","","","2","R 3 2 :H","R 3 2""","155","","Trinickel diselenide","","- Ni3 Se2 -","- Ni3 Se2 -","- Ni9 Se6 -","3","0.166667","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0204","0.0204","","","","0.0517","","","","","","1.37","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:09",""
"2022343","3.66147","0.0001","3.66147","0.0001","5.35766","0.00016","90","","90","","120","","62.204","0.003","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel selenide","","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.0833333","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0193","0.0176","","","","0.0429","","","","","","1.238","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:10",""
"2022344","7.5962","0.0003","11.4871","0.0004","9.0245","0.0004","90","","106.339","0.004","90","","755.66","0.05","297.22","0.1","297.22","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetrachloridobis(diethyl ether-κ<i>O</i>)tungsten(IV)","","- C8 H20 Cl4 O2 W -","- C8 H20 Cl4 O2 W -","- C16 H40 Cl8 O4 W2 -","2","0.5","YP3213","Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel","A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)","Acta Crystallographica Section C","2021","77","4","181","185","10.1107/S2053229621002412","","x-ray","0.71073","MoKα","","0.0427","0.0255","","","0.0529","0.0577","","","","","","1.013","","","","has coordinates","264982","2021-05-06","07:08:51",""
"2022345","11.6763","0.0001","7.2768","0.0001","22.3075","0.0001","90","","96.6429","0.0006","90","","1882.66","0.03","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.037","0.0366","","0.0944","0.0936","0.0944","","","","","","0.9862","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:43",""
"2022346","11.6739","0.0001","7.2783","0.0001","22.3071","0.0002","90","","96.638","0.0009","90","","1882.64","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.0723","0.0718","","0.1824","0.1812","0.1824","","","","","","0.9842","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022347","4.9712","0.0001","20.1758","0.0002","22.7451","0.0003","90","","90","","90","","2281.29","0.06","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-ethylbenzyl]phosphoric triamide","","- C25 H28 F2 N3 O2 P -","- C25 H28 F2 N3 O2 P -","- C100 H112 F8 N12 O8 P4 -","4","1","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.031","0.0299","","0.0781","0.0773","0.0781","","","","","","0.916","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022348","5.1859","0.0001","11.8497","0.0001","9.6461","0.0001","90","","96.153","0.001","90","","589.351","0.014","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1<i>H</i>-1,2,4-Triazolium perchlorate","","- C2 H4 Cl N3 O4 -","- C2 H4 Cl N3 O4 -","- C8 H16 Cl4 N12 O16 -","4","1","WP3012","Kumasaki, Mieko; Gontani, Saori; Mori, Kanae; Matsumoto, Shinya; Inoue, Kazuki","Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate","Acta Crystallographica Section C","2021","77","5","197","201","10.1107/S2053229621003260","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0925","0.0942","","","","","","1.116","","","","has coordinates,has Fobs","266206","2021-06-06","16:15:38",""
"2022349","6.8378","0.0004","11.4334","0.0007","12.7595","0.0008","90","","90","","90","","997.53","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxycytidine","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","VP3014","Budow-Busse, Simone; Chai, Yingying; Müller, Sebastian Lars; Daniliuc, Constantin; Seela, Frank","The α-<small>D</small>-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis","Acta Crystallographica Section C","2021","77","5","202","208","10.1107/S2053229621003430","","","1.54178","CuKα","","0.0257","0.0248","","","0.0601","0.0609","","","","","","1.124","","","","has coordinates,has Fobs","266207","2021-06-06","16:15:44",""
"2022350","9.4028","0.0001","25.1718","0.0002","15.5008","0.0001","90","","93.3046","0.0003","90","","3662.71","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibutylbis{(<i>E</i>)-2-hydroxy-5-[(3-methylphenyl)diazenyl]benzoato}tin(IV) cyclohexane hemisolvate","","- C39 H46 N4 O6 Sn -","- C39 H46 N4 O6 Sn -","- C156 H184 N16 O24 Sn4 -","4","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0781","0.0398","","","0.0944","0.1101","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","266200","2021-06-06","16:14:46",""
"2022351","13.6816","0.0001","12.5767","0.0001","22.5401","0.0002","90","","107.017","0.0006","90","","3708.65","0.05","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibenzylbis{(<i>E</i>)-5-[(4-bromophenyl)diazenyl]-2-hydroxybenzoato}tin(IV)","","- C40 H30 Br2 N4 O6 Sn -","- C40 H30 Br2 N4 O6 Sn -","- C160 H120 Br8 N16 O24 Sn4 -","4","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0479","0.0316","","","0.0691","0.0757","","","","","","1.043","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022352","23.653","0.0005","10.1034","0.0002","20.5952","0.0004","90","","115.072","0.0012","90","","4458.02","0.16","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquadibenzylbis(4-{(<i>E</i>)-[(Z)-4-hydroxypent-3-en-2-ylidene]amino}benzoato)tin(IV) benzene disolvate","","- C50 H52 N2 O7 Sn -","- C38 H40 N2 O7 Sn -","- C152 H160 N8 O28 Sn4 -","4","0.5","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0765","0.0559","","","0.137","0.1483","","","","","","1.047","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022353","11.8395","0.0001","24.2855","0.0003","17.3557","0.0002","90","","93.2962","0.0007","90","","4982","0.09","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octabutyltetrakis{μ-(<i>E</i>)-4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoato}di-μ~3~-oxido-tetratin(IV) ethanol disolvate","","- C96 H136 N8 O16 Sn4 -","- C96 H136 N8 O16 Sn4 -","- C192 H272 N16 O32 Sn8 -","2","0.5","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0449","0.0331","","","0.0711","0.0765","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","266200","2021-06-06","16:14:46",""
"2022354","12.0054","0.0003","14.7309","0.0004","23.9132","0.0006","76.3707","0.0018","75.5206","0.0016","88.1609","0.0016","3977.81","0.18","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Octabutyltetrakis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propanoato}di-μ~3~-oxido-tetratin(IV)","","- C72 H112 N4 O14 Sn4 -","- C72 H112 N4 O14 Sn4 -","- C144 H224 N8 O28 Sn8 -","2","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.1145","0.0464","","","0.0906","0.114","","","","","","1.021","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022355","9.4872","0.0013","10.7297","0.0014","25.92","0.002","89.116","0.003","87.262","0.003","89.258","0.002","2635","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua-μ~2~-bromido-di-μ~3~-hydroxido-methanoldinitratotetracopper(II)]-bis{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}] nitrate]","","- C39 H64 Br Cu4 N5 O23 -","- C39 H64 Br Cu4 N5 O23 -","- C78 H128 Br2 Cu8 N10 O46 -","2","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0917","0.0496","","","0.0862","0.0917","","","","","","1.046","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022356","9.0572","0.0007","10.6773","0.0008","26.743","0.002","90","","95.505","0.003","90","","2574.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[μ~3~-bromido-μ~2~-bromido-bromido-μ~3~-hydroxido-{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}tricopper(II)]","","- C19 H29 Br3 Cu3 N O6 -","- C19 H29 Br3 Cu3 N O6 -","- C76 H116 Br12 Cu12 N4 O24 -","4","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0575","0.0433","","","0.0886","0.0905","","","","","","1.451","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022357","11.5479","0.0007","14.7949","0.001","12.3782","0.0009","90","","99.813","0.002","90","","2083.9","0.2","290","","290","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bromido{μ~3~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}zinc(II)]","","- C19 H28 Br N O5 Zn -","- C19 H28 Br N O5 Zn -","- C76 H112 Br4 N4 O20 Zn4 -","4","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0418","0.0355","","","0.0924","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022358","10.7338","0.0009","10.7338","0.0009","10.7338","0.0009","90","","90","","90","","1236.69","0.18","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Dodecalithium trimagnesium trisilicon aluminium","","- Al0.33 Li4 Mg Si -","- Al0.33 Li4 Mg Si1.00333 -","- Al3.96 Li48 Mg12 Si12.04 -","12","0.25","YO3079","Pavlyuk, Volodymyr; Ciesielski, Wojciech; Kulawik, Damian; Pavlyuk, Nazar; Dmytriv, Grygoriy","Structural and enhanced hydrogen storage properties of the Li~12~Mg~3~Si~3~Al phase","Acta Crystallographica Section C","2021","77","5","227","234","10.1107/S2053229621004113","","","0.71073","MoKα","","0.0203","0.0184","","","0.0345","0.035","","","","","","1.019","","","","has coordinates,has Fobs","266203","2021-06-06","16:15:17",""
"2022359","14.0601","0.0002","10.9903","0.0002","8.7228","0.0002","90","","97.16","","90","","1337.38","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Methyl-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide","6-Methyl-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0287","0.0287","","","0.073","0.073","","","","","","1.035","","","","has coordinates","264471","2021-04-23","09:50:24",""
"2022360","6.8829","0.0002","11.8924","0.0003","19.0594","0.0005","90","","98.737","0.001","90","","1541.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-Chloro-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide methanol monosolvate","6-Chloro-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide methanol monosolvate","","- C12 H18 Cl N5 O2 S -","- C12 H18 Cl N5 O2 S -","- C48 H72 Cl4 N20 O8 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0254","0.0254","","","0.0688","0.0689","","","","","","1.084","","","","has coordinates,has Fobs","264472","2021-04-23","09:54:14",""
"2022361","11.2996","0.0003","9.387","0.0003","18.9935","0.0005","90","","101.8","0.001","90","","1972.05","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-<i>N</i>'-(4-phenylpiperazine-1-carbonothioyl)picolinohydrazonamide","6-Chloro-N'-[(4-phenylpiperazin-1-yl)carbothioylamino]pyridine-2-carboximidamide","","- C17 H19 Cl N6 S -","- C17 H19 Cl N6 S -","- C68 H76 Cl4 N24 S4 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","","1.54178","CuKα","","0.0339","0.0332","","","0.087","0.0875","","","","","","1.024","","","","has coordinates,has Fobs","264473","2021-04-23","09:55:02",""
"2022362","3.77379","0.00004","5.63483","0.00004","32.9783","0.0002","90","","90","","90","","701.273","0.01","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Chloropicolinohydrazonamide","<i>N</i>'-Amino-6-chloropyridine-2-carboximidamide","","- C6 H7 Cl N4 -","- C6 H7 Cl N4 -","- C24 H28 Cl4 N16 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","x-ray","1.54184","CuKα","","0.0208","0.0206","","","0.0563","0.0564","","","","","","1.081","","","","has coordinates,has Fobs","264474","2021-04-23","09:55:35",""
"2022363","9.8113","0.0004","9.8273","0.0004","16.6898","0.0005","91.454","0.003","106.989","0.003","101.534","0.003","1501.86","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido[1-diphenylphosphinoyl-1'-(di-<i>tert</i>-butylphosphanyl)ferrocene-\ κ^2^<i>O</i>,<i>P</i>]cadmium(II)","","- C30 H36 Cd Cl2 Fe O P2 -","- C30 H36 Cd Cl2 Fe O P2 -","- C60 H72 Cd2 Cl4 Fe2 O2 P4 -","2","1","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0745","0.0498","","","0.0874","0.0986","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022364","10.8762","0.0003","11.3163","0.0003","13.5343","0.0004","83.078","0.002","87.002","0.002","70.848","0.003","1561.97","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis[μ-(<i>tert</i>-butyl)(1'-diphenylphosphinoylferrocen-1-yl)phosphinato-\ κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']bis[chloridozinc(II)]","","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","1","0.5","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.092","0.054","","","0.1066","0.1222","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022365","14.7589","0.0007","14.0445","0.0005","14.7141","0.0006","90","","116.982","0.0018","90","","2718","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(di-<i>tert</i>-butylthiophosphinoyl)ferrocene","","- C26 H44 Fe P2 S2 -","- C26 H44 Fe P2 S2 -","- C104 H176 Fe4 P8 S8 -","4","1","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0668","0.0422","","","0.0828","0.0952","","","","","","1.019","","","","has coordinates,has Fobs","266202","2021-06-06","16:15:10",""
"2022366","8.2992","0.0006","21.6504","0.0018","9.9175","0.0007","90","","112.451","0.004","90","","1646.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[1,1'-Bis(dicyclohexylphosphanyl)ferrocene-\ κ^2^<i>P</i>,<i>P</i>'][chlorido/cyanido(0.25/1.75)]zinc(II)","","- C35.75 H52 Cl0.25 Fe N1.75 P2 Zn -","- C35.718 H52 Cl0.282 Fe N1.718 P2 Zn -","- C71.436 H104 Cl0.564 Fe2 N3.436 P4 Zn2 -","2","0.5","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0591","0.0397","","","0.0852","0.0926","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022367","6.2861","0.0005","7.5366","0.0006","13.4963","0.0011","90.547","0.001","100.667","0.001","113.489","0.001","573.81","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Trisodium europium octaborate","","- B8 Eu Na3 O15 -","- B8 Eu Na3 O15 -","- B16 Eu2 Na6 O30 -","2","1","KY3203","Bi, Wen-Yan; Wang, Wei; Zhang, Rui-Juan","New red phosphor Na~3~EuB~8~O~15~ with an open-window tubular structure","Acta Crystallographica Section C","2021","77","5","235","239","10.1107/S2053229621004071","","","0.71073","MoKα","","0.0263","0.0234","","","0.0534","0.0547","","","","","","1.065","","","","has coordinates,has Fobs","266205","2021-06-06","16:15:31",""
"2022368","6.088","0.003","7.826","0.003","8.623","0.003","79.8","0.03","72.96","0.03","80.62","0.03","383.9","0.3","160.15","","160.15","","","","","","","","","4","P -1","-P 1","2","","5-[(Prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine","","- C5 H7 N3 S2 -","- C5 H7 N3 S2 -","- C10 H14 N6 S4 -","2","1","VP3015","Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian","Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]","Acta Crystallographica Section C","2021","77","5","249","256","10.1107/S2053229621004198","","","0.71073","MoKα","","0.0462","0.0406","","","0.1072","0.1128","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","266204","2021-06-06","16:15:25",""
"2022369","17.65","0.005","10.686","0.004","21.107","0.006","90","","90.15","0.03","90","","3981","2","99.98","0.1","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;2:3κ^2^<i>Cl</i>-tetrakis[μ~2~-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine]-1:2κ^2^<i>N</i>^4^:<i>N</i>^3^;1(η^2^),κ<i>N</i>^4^:2κ<i>N</i>^3^;2:3κ^2^<i>N</i>^3^:<i>N</i>^4^;2κ<i>N</i>^3^:3(η^2^),κ<i>N</i>^4^-dicopper(I)iron(II) tetrachloridoferrate(II)","","- C20 H28 Cl6 Cu2 Fe2 N12 S8 -","- C20 H28 Cl6 Cu2 Fe2 N12 S8 -","- C80 H112 Cl24 Cu8 Fe8 N48 S32 -","4","0.5","VP3015","Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian","Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]","Acta Crystallographica Section C","2021","77","5","249","256","10.1107/S2053229621004198","","","0.71073","MoKα","","0.0314","0.0248","","","0.0555","0.0591","","","","","","1.069","","","","has coordinates,has Fobs","266204","2021-06-06","16:15:25",""
"2022370","3.8053","0.0002","14.661","0.0008","12.9396","0.0007","90","","97.32","0.006","90","","716.01","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0485","0.0404","","","0.1027","0.1103","","","","","","1.044","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022371","6.9581","0.0007","7.1413","0.0008","8.0284","0.0009","81.959","0.01","73.812","0.01","71.352","0.01","362.44","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0279","0.0261","","","0.0667","0.0678","","","","","","1.019","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022372","10.3703","0.0004","10.9444","0.0004","14.8108","0.0006","90","","103.35","0.004","90","","1635.55","0.11","100.02","0.1","100.02","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Br2 O3 -","- C7 H4 Br2 O3 -","- C56 H32 Br16 O24 -","8","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0248","0.0228","","","0.0588","0.0598","","","","","","1.039","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022373","9.9325","0.0004","9.0196","0.0003","12.3942","0.0004","90","","93.844","0.003","90","","1107.86","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 5-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0395","0.0336","","","0.0587","0.0611","","","","","","1.018","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022374","9.522","0.00019","9.3214","0.0002","13.3453","0.0003","90","","99.6446","0.0019","90","","1167.77","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒3,5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 3,5-dibromosalicylic acid","","- C22 H27 Br2 N O7 -","- C22 H27 Br2 N O7 -","- C44 H54 Br4 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.033","0.0297","","","0.0646","0.0665","","","","","","1.034","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022375","11.0814","0.0002","9.28293","0.00018","11.1404","0.0002","90","","98.638","0.002","90","","1132.99","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒4-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 4-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0654","0.0676","","","","","","1.041","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022376","10.6631","0.0006","10.6631","0.0006","25.203","0.002","90","","90","","90","","2865.6","0.3","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","Poly[{μ-bis[4-(2-methylimidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ-naphthalene-1,4-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)]","","- C32 H24 Cd N4 O5 -","- C32 H24 Cd N4 O5 -","- C128 H96 Cd4 N16 O20 -","4","1","OV3147","Wu, Ji-Pei; Cheng, Yi-Chuan; Lu, Lei; Wang, Jun; Qiao, Shan-Bao","A fourfold interpenetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2021","77","6","257","261","10.1107/S2053229621004642","","","0.71073","MoKα","","0.0269","0.0255","","","0.0646","0.066","","","","","","1.1","","","","has coordinates,has Fobs","267276","2021-07-06","06:40:21",""
"2022378","7.653","0.0007","7.8066","0.0005","11.5939","0.0005","76.603","0.005","88.358","0.005","61.263","0.008","588.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-nitrophenyl) selenide","","- C12 H8 N2 O4 Se -","- C12 H8 N2 O4 Se -","- C24 H16 N4 O8 Se2 -","2","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0352","0.0321","","","0.0782","0.0797","","","","","","1.025","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:08",""
"2022379","8.4557","0.0002","7.053","0.0002","18.0521","0.0005","90","","92.643","0.003","90","","1075.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-aminophenyl) selenide","","- C12 H12 N2 Se -","- C12 H12 N2 Se -","- C48 H48 N8 Se4 -","4","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0577","0.0475","","","0.1246","0.1324","","","","","","1.024","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:08",""
"2022380","7.0048","0.0002","8.6062","0.0003","10.1392","0.0003","66.164","0.003","88.628","0.002","88.78","0.002","558.9","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminophenyl) telluride","","- C12 H12 N2 Te -","- C12 H12 N2 Te -","- C24 H24 N4 Te2 -","2","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0252","0.0204","","","0.0474","0.049","","","","","","1.095","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:09",""
"2022381","11.607","0.005","14.951","0.006","15.017","0.006","90","","100.287","0.007","90","","2564.1","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua[μ~6~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dilead(II)] 2.5-hydrate]","","- C23 H29 O12.5 Pb2 -","- C23 H20 O10 Pb2 -","- C92 H80 O40 Pb8 -","4","1","","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran","Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties","Acta Crystallographica Section C","2021","77","6","291","298","10.1107/S2053229621005143","","","0.71073","MoKα","","0.1295","0.0623","","","0.1481","0.1653","","","","","","0.902","","","","has coordinates,has Fobs","267274","2021-07-06","06:39:57",""
"2022382","15.826","0.004","13.033","0.003","16.03","0.004","90","","93.074","0.004","90","","3301.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[di-μ-aqua-diaqua(dimethylformamide)[μ~7~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dibarium(II)] trihydrate]","","- C26 H41 Ba2 N O16 -","- C26 H39 Ba2 N O16 -","- C104 H156 Ba8 N4 O64 -","4","1","DG3016","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran","Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties","Acta Crystallographica Section C","2021","77","6","291","298","10.1107/S2053229621005143","","","0.71073","MoKα","","0.0382","0.0315","","","0.079","0.0823","","","","","","1.064","","","","has coordinates,has Fobs","267274","2021-07-06","06:39:58",""
"2022383","11.675","0.0007","8.6138","0.0005","14.1504","0.0008","90","","90.075","0.002","90","","1423.05","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Allyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","3-Hydroxy-3-(6-oxocyclohex-1-en-1-yl)-1-(prop-2-en-1-yl)indol-2-one","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0661","0.0512","","","0.1202","0.1349","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","265536","2021-05-27","05:11:02",""
"2022384","8.9227","0.0006","12.8741","0.0006","12.5994","0.0008","90","","93.897","0.003","90","","1443.97","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0775","0.0445","","","0.0981","0.1175","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","265536","2021-05-27","05:11:02",""
"2022385","7.896","0.0003","19.6458","0.0008","9.1088","0.0003","90","","90","","90","","1412.99","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-3-hydroxy-1-methyl-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0367","0.0331","","","0.0971","0.1013","","","","","","1.134","","","","has coordinates,has Fobs","265536","2021-05-27","05:11:03",""
"2022387","9.7713","0.0003","11.8827","0.0004","16.0872","0.0006","85.185","0.001","80.369","0.001","69.634","0.001","1725.76","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Iodido(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C37 H34 Cu I N2 P2 S -","- C37 H34 Cu I N2 P2 S -","- C74 H68 Cu2 I2 N4 P4 S2 -","2","1","ZO3011","Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang","Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005696","","","0.71073","MoKα","","0.0292","0.0279","","","0.0738","0.0745","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","266252","2021-06-08","05:10:53",""
"2022388","10.9718","0.0003","15.9975","0.0004","44.0539","0.0012","90","","95.2989","0.0009","90","","7699.4","0.4","170","2","170.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydrobenzimidazole-2-thione-κ<i>S</i>)iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C43 H36 Cu I N2 P2 S -","- C43 H36 Cu I N2 P2 S -","- C344 H288 Cu8 I8 N16 P16 S8 -","8","2","ZO3011","Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang","Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005696","","","0.71073","MoKα","","0.0276","0.0233","","","0.0511","0.0531","","","","","","1.049","","","","has coordinates,has Fobs","266252","2021-06-08","05:10:54",""
"2022389","7.4115","0.0004","8.5345","0.0004","10.779","0.0005","89.682","0.004","72.145","0.005","71.405","0.005","611.87","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido[3,5-dimethyl-1-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]zinc(II)","","- C10 H11 Cl2 N3 Zn -","- C10 H11 Cl2 N3 Zn -","- C20 H22 Cl4 N6 Zn2 -","2","1","WP3016","Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta","Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing","Acta Crystallographica Section C Structural Chemistry","2021","77","7","","","10.1107/S2053229621005374","","x-ray","0.71073","MoKα","","0.0268","0.0236","","","0.0642","0.0671","","","","","","1.015","","","","has coordinates,has Fobs","266253","2021-06-08","05:11:42",""
"2022390","12.2306","0.0011","13.2638","0.001","14.056","0.0014","90","","100.981","0.008","90","","2238.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis[3,5-dimethyl-1-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]nickel(II) chloride monohydrate","","- C20 H26 Cl2 N6 Ni O2 -","- C20 H26 Cl2 N6 Ni O2 -","- C80 H104 Cl8 N24 Ni4 O8 -","4","1","WP3016","Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta","Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing","Acta Crystallographica Section C Structural Chemistry","2021","77","7","","","10.1107/S2053229621005374","","","0.71073","MoKα","","0.0893","0.0522","","","0.0923","0.1085","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","266253","2021-06-08","05:11:43",""
"2022391","9.2252","0.0018","16.937","0.003","17.274","0.004","96.37","0.03","92.39","0.03","93.26","0.03","2674.9","1","100","","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[sodium [tetraaquahydroxidopentaoxido\ bis(μ-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetraacetato)trieuropium(III)] chloride hydrate]","","- C32 H72.64 Cl Eu3 N8 Na O32.04 -","- C32 H73.54 Cl Eu3 N8 Na O31.86 -","- C64 H147.08 Cl2 Eu6 N16 Na2 O63.72 -","2","1","YD3018","Thomsen, Maria Storm; Madsen, Anders Ø.; Sørensen, Thomas Just","Crystal structure and optical properties of a two-sited Eu^III^ compound: an Eu^III^ ion coordinated by two [Eu^III^(DOTA)]^{-^} complexes (DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate)","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005647","","","0.71073","MoKα","","0.0813","0.0622","","","0.1576","0.1707","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","266390","2021-06-11","05:04:56",""
"2022392","9.99","0.003","10.7","0.004","11.016","0.004","80.865","0.016","73.669","0.019","82.3","0.02","1110.7","0.7","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","3,3-Bis(naphthalen-1-yl)-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran","","- C33 H22 O -","- C33 H22 O -","- C66 H44 O2 -","2","1","CU3171","Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben","Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005969","","","0.71073","MoKα","","0.067","0.0404","","","0.0857","0.0927","","","","","","1.021","","","","has coordinates","266525","2021-06-17","05:19:00",""
"2022393","10.96","0.004","23.88","0.008","20.385","0.007","90","","103.941","0.005","90","","5178","3","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-Bis([1,1'-biphenyl]-4-yl)-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran","","- C37 H26 O -","- C37 H26 O -","- C296 H208 O8 -","8","2","CU3171","Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben","Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005969","","","0.71073","MoKα","","0.0855","0.0667","","","0.1776","0.192","","","","","","1.107","","","","has coordinates","266525","2021-06-17","05:19:00",""
"2022394","19.1347","0.0005","9.1227","0.0003","18.7937","0.0005","90","","102.092","0.002","90","","3207.84","0.16","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxido-bis[dichloridotris(tetrahydrofuran-κ<i>O</i>)titanium(III)]","","- C24 H48 Cl4 O7 Ti2 -","- C24 H48 Cl4 O7 Ti2 -","- C96 H192 Cl16 O28 Ti8 -","4","0.5","DG3018","Bloomfield, Hannah R.; Hollett, Joshua W.; Ritch, Jamie S.","Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006094","","","0.71073","MoKα","","0.1102","0.0727","","","0.1249","0.138","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","266589","2021-06-21","04:21:42",""
"2022395","11.062","0.004","8.369","0.003","27.406","0.006","90","","92.44","0.03","90","","2534.9","1.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aquabromidobis[4-methyl-7-(pyrazin-2-yl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole]copper(II) bromide trihydrate","","- C16 H22 Br2 Cu N14 O4 -","- C16 H22 Br2 Cu N14 O4 -","- C64 H88 Br8 Cu4 N56 O16 -","4","1","JX3062","Parisi, Emmanuele; Centore, Roberto","Stabilization of an elusive tautomer by metal coordination","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006203","","x-ray","0.71073","MoKα","","0.0374","0.0327","","","0.0781","0.0808","","","","","","1.043","","","","has coordinates,has Fobs","266663","2021-06-24","04:49:29",""
"2022396","8.396","0.002","12.305","0.003","12.724","0.003","112.53","0.02","107.78","0.03","92.16","0.02","1138.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dibromido[4-methyl-7-(pyrazin-2-yl)-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole][4-methyl-7-(pyrazin-2-yl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole]zinc(II) monohydrate","","- C16 H16 Br2 N14 O Zn -","- C16 H16 Br2 N14 O Zn -","- C32 H32 Br4 N28 O2 Zn2 -","2","1","JX3062","Parisi, Emmanuele; Centore, Roberto","Stabilization of an elusive tautomer by metal coordination","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006203","","x-ray","0.71073","MoKα","","0.0773","0.0466","","","0.1213","0.1362","","","","","","1.089","","","","has coordinates,has Fobs","266663","2021-06-24","04:49:30",""
"2022397","13.4563","0.0012","10.7847","0.0009","15.5656","0.0013","90","","104.341","0.009","90","","2188.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-2-(2,6-diisopropylphenyl)-4,4-dimethyl-2-azaspiro[5.5]undecane-3,5-dione","","- C24 H34 Cl N O2 -","- C24 H34 Cl N O2 -","- C96 H136 Cl4 N4 O8 -","4","1","OV3151","Hudnall, Todd W.; Reinheimer, Eric W.; Dorsey, Christopher L.","Synthesis, crystal structure determination, and spectroscopic analyses of 1-chloro-2-(2,6-diisopropylphenyl)-4,4-dimethyl-2-azaspiro[5.5]undecane-3,5-dione: an unyielding precursor to a cyclic (alkyl)(amido)carbene","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006173","","x-ray","0.71073","MoKα","","0.0826","0.0489","","","0.1036","0.1198","","","","","","1.022","","","","has coordinates,has Fobs","266714","2021-06-26","05:42:16",""
"2022398","21.9761","0.0014","13.9179","0.0009","16.209","0.001","90","","111.189","0.002","90","","4622.5","0.5","200","2","200.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sodium-serinol hexatungstoanitimonate","","- C6 H56 N2 Na5 O46 Sb W6 -","- C6 H56 N2 Na5 O46 Sb W6 -","- C24 H224 N8 Na20 O184 Sb4 W24 -","4","0.5","KY3204","Sifaki, Kleanthi; Gumerova, Nadiia I.; Giester, Gerald; Rompel, Annette","Synthesis and characterization of the Anderson‒Evans tungstoantimonate [Na~5~(H~2~O)~18~{(HOCH~2~)~2~CHNH~3~}~2~][SbW~6~O~24~]","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006239","","","0.71073","MoKα","","0.0156","0.0131","","","0.0243","0.0246","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","266767","2021-06-29","05:24:50",""
"2022399","10.5897","0.0002","22.8595","0.0005","14.3102","0.0003","90","","92.524","0.002","90","","3460.78","0.12","136","2","136","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[dimethyl 5-({1-[(pyridin-2-yl-κ<i>N</i>)carbamoyl-κ<i>O</i>]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate","","- C63 H66 N14 O24 Zn -","- C63 H66 N14 O24 Zn -","- C126 H132 N28 O48 Zn2 -","2","1","EF3020","Perić, Berislav; Kokan, Zoran; Kirin, Srećko I.","Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006471","","","1.54184","CuKα","","0.0576","0.0538","","","0.1511","0.1549","","","","","","1.111","","","","has coordinates,has Fobs","267370","2021-07-08","05:16:17",""
"2022400","8.9645","0.0001","33.8111","0.0001","9.2237","0.0001","90","","98.698","0.001","90","","2763.55","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[3-(3'-Methyl-2',4'-dioxospiro[fluorene-9,5'-imidazolidin]-1'-yl)propyl]-4-phenylpiperazine-1,4-diium dichloride monohydrate","","- C29 H34 Cl2 N4 O3 -","- C29 H34 Cl2 N4 O3 -","- C116 H136 Cl8 N16 O12 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","1.54184","CuKα","","0.0356","0.034","","","0.093","0.0943","","","","","","1.07","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:27",""
"2022401","21.7033","0.0005","7.219","0.0002","16.821","0.0004","90","","103.464","0.002","90","","2563.02","0.11","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3'-Methyl-1'-{3-[4-(4-nitrophenyl)piperazin-1-yl]propyl}spiro[fluorene-9,5'-\ imidazolidine]-2',4'-dione monohydrate","","- C29 H31 N5 O5 -","- C29 H31 N5 O5 -","- C116 H124 N20 O20 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","0.71073","MoKα","","0.0685","0.049","","","0.119","0.1286","","","","","","1.026","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022402","8.8799","0.0002","23.555","0.0005","13.2498","0.0003","90","","99.072","0.003","90","","2736.74","0.11","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3'-Methyl-1'-{5-[4-(4-nitrophenyl)piperazin-1-yl]pentyl}spiro[fluorene-9,5'-imidazolidine]-2',4'-dione","","- C31 H33 N5 O4 -","- C31 H33 N5 O4 -","- C124 H132 N20 O16 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","0.71073","MoKα","","0.0882","0.054","","","0.1263","0.1449","","","","","","1.053","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022403","11.8717","0.0001","33.6944","0.0003","7.6888","0.0001","90","","102.259","0.001","90","","3005.46","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-[5-(3'-methyl-2',4'-dioxospiro[fluorene-9,5'-imidazolidin]-1'-yl)pentyl]piperazine-1,4-diium dichloride 0.613-hydrate","","- C32 H39.23 Cl2 N4 O2.61 -","- C32 H39.226 Cl2 N4 O2.613 -","- C128 H156.904 Cl8 N16 O10.452 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","1.54184","CuKα","","0.0394","0.0337","","","0.0838","0.0869","","","","","","1.032","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022404","9.8898","0.0001","15.8351","0.0002","16.4327","0.0001","111.84","0.001","99.655","0.001","104.689","0.001","2210.08","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","1,3,5-Triazinane-2,4,6-trithione‒4-(pyridin-4-ylsulfanyl)pyridine‒1,4-bis(pyridin-4-yl)tetrasulfane (2/2/1)","","- C36 H30 N12 S12 -","- C36 H30 N12 S12 -","- C72 H60 N24 S24 -","2","1","VP3018","Wzgarda-Raj, Kinga; Ksiażkiewicz, Olga; Palusiak, Marcin","A rare case of a 2:2:1 ternary cocrystal of pyridine sulfides and trithiocyanuric acid","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621007208","","","1.54184","CuKα","","0.0415","0.0395","","","0.104","0.1052","","","","","","1.06","","","","has coordinates,has Fobs","267665","2021-07-21","05:12:47",""
"2022405","8.0037","0.0004","12.1365","0.0006","13.4922","0.0006","104.697","0.001","103.023","0.001","106.619","0.001","1150.3","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(2-{4,5-Dimethoxy-2-[2-(2,3,4-trifluorophenyl)ethynyl]phenyl}ethynyl)-6-[2-(pyridin-2-yl)ethynyl]pyridine","","- C30 H17 F3 N2 O2 -","- C30 H17 F3 N2 O2 -","- C60 H34 F6 N4 O4 -","2","1","OV3152","Bosch, Eric; Bowling, Nathan P.; Oburn, Shalisa M.","Conformational control through co-operative nonconventional C—H···N hydrogen bonds","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621007427","","","0.71073","MoKα","","0.0645","0.0498","","","0.1265","0.1372","","","","","","1.038","","","","has coordinates,has Fobs","267764","2021-07-27","05:09:23",""
"2022406","13.7349","0.0011","5.0575","0.0004","16.08","0.0012","90","","109.02","0.007","90","","1056","0.15","120","2","120","2","","","","","","","","3","I 1 2 1","I 2y","5","","Isopropyl 3-deoxy-α-<it>D</it>-<i>ribo</i>-hexopyranoside","","- C9 H18 O5 -","- C9 H18 O5 -","- C36 H72 O20 -","4","1","QF3048","Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S.","Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters","Acta Crystallographica Section C","2021","77","8","","","10.1107/S205322962100749X","","","1.54184","CuKα","","0.0431","0.0413","","","0.1028","0.1049","","","","","","1.075","","","","has coordinates,has Fobs","267784","2021-07-28","05:29:56",""
"2022407","8.144","0.0005","8.4565","0.0005","14.9945","0.0008","87.549","0.002","79.926","0.002","68.467","0.002","945.52","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-fluoro-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C23 H21 F N2 O4 -","- C23 H21 F N2 O4 -","- C46 H42 F2 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0503","0.0373","","","0.086","0.0953","","","","","","1.042","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:06",""
"2022408","8.1874","0.0006","8.5015","0.0006","15.5775","0.0012","85.775","0.003","77.641","0.003","68.022","0.002","982.15","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.053","0.0396","","","0.0908","0.0976","","","","","","1.029","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:07",""
"2022409","8.6535","0.0004","9.2064","0.0004","14.4327","0.0006","72.66","0.001","74.539","0.001","65.93","0.002","988.16","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-1-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0488","0.0385","","","0.0914","0.0982","","","","","","1.035","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:07",""
"2022410","8.7914","0.0009","9.3155","0.001","14.6188","0.0015","73.437","0.004","76.259","0.004","64.156","0.003","1023.83","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-chloro-1-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H23 Cl N2 O4 -","- C24 H23 Cl N2 O4 -","- C48 H46 Cl2 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.039","0.0327","","","0.0768","0.0812","","","","","","1.026","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:08",""
"2022411","11.0442","0.0004","17.4707","0.0006","13.0081","0.0004","90","","90.215","0.001","90","","2509.89","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-1-hexyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C29 H34 N2 O4 -","- C29 H34 N2 O4 -","- C116 H136 N8 O16 -","4","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0584","0.0428","","","0.0941","0.1024","","","","","","1.033","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:08",""
"2022412","4.97902","0.00015","18.5654","0.0005","19.1368","0.0003","89.5065","0.0018","84.322","0.002","89.375","0.002","1760.12","0.08","160","2","160","2","","","","","","","","3","P -1","-P 1","2","umuhengerin","5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","2","OV3154","Toklo, Placide M.; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F.; Gbenou, Joachim D.","Anthelmintic flavonoids and other compounds from <i>Combretum glutinosum</i> Perr. ex DC (Combretaceae) leaves","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621007841","","x-ray","1.54184","CuKα","","0.0651","0.0467","","","0.1044","0.1129","","","","","","1.049","","","","has coordinates,has Fobs","267987","2021-08-07","04:21:12",""
"2022413","6.37386","0.00006","12.10746","0.00011","33.8928","0.0003","90","","90","","90","","2615.55","0.04","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(20S,24R)-ocotillone","(5<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>R</i>,13<i>R</i>,14<i>R</i>,17<i>S</i>)-17-[(2<i>S</i>,5<i>R</i>)-5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[<i>a</i>]phenanthren-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","OV3154","Toklo, Placide M.; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F.; Gbenou, Joachim D.","Anthelmintic flavonoids and other compounds from <i>Combretum glutinosum</i> Perr. ex DC (Combretaceae) leaves","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621007841","","x-ray","1.54184","CuKα","","0.033","0.0322","","","0.0883","0.0892","","","","","","1.03","","","","has coordinates,has Fobs","267987","2021-08-07","04:21:13",""
"2022414","13.081","0.002","14.96","0.003","31.017","0.004","82.52","0.02","87.24","0.02","69.51","0.02","5637.4","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~6~-Aqua)(μ~3~-propan-2-ol)pentakis(μ~3~-triphenylsilanolato)(μ~2~-triphenylsilanolato)hexapotassium toluene disolvate","","- C125 H116 K6 O8 Si6 -","- C125 H116 K6 O8 Si6 -","- C250 H232 K12 O16 Si12 -","2","1","JX3064","Wytrych, Patrycja; Utko, Józef; Lis, Tadeusz; John, Łukasz","Polyoxometalate-like structure of new potassium triphenylsiloxides: [K~6~(OSiPh~3~)~6~(C~3~H~7~OH)(H~2~O)]·2C~6~H~5~CH~3~ and [K~6~(OSiPh~3~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008160","","x-ray","1.54184","CuKα","","0.09","0.0766","","","0.2122","0.2207","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","268119","2021-08-18","01:58:37",""
"2022415","12.7633","0.0007","14.7076","0.0008","28.183","0.003","89.61","0.02","78.98","0.02","73.26","0.02","4966.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~4~-Aqua)(μ~3~-aqua)pentakis(μ~3~-triphenylsilanolato)(μ~2~-triphenylsilanolato)hexapotassium","","- C108 H94 K6 O8 Si6 -","- C108 H94 K6 O8 Si6 -","- C216 H188 K12 O16 Si12 -","2","1","JX3064","Wytrych, Patrycja; Utko, Józef; Lis, Tadeusz; John, Łukasz","Polyoxometalate-like structure of new potassium triphenylsiloxides: [K~6~(OSiPh~3~)~6~(C~3~H~7~OH)(H~2~O)]·2C~6~H~5~CH~3~ and [K~6~(OSiPh~3~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008160","","","1.54184","CuKα","","0.054","0.0518","","","0.1221","0.1235","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","268119","2021-08-18","01:58:38",""
"2022416","17.1109","0.0004","17.1109","0.0004","5.4205","0.0002","90","","90","","120","","1374.41","0.07","296","2","296","2","","","","","","","","5","P 31","P 31","144","","2-({2-[(4<i>S</i>)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C21 H16 F3 N3 O -","- C21 H16 F3 N3 O -","- C63 H48 F9 N9 O3 -","3","1","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0578","0.0413","","","0.1129","0.1241","","","","","","1.049","","","","has coordinates,has disorder","268133","2021-08-19","01:42:49",""
"2022417","7.9933","0.0002","24.1126","0.0005","9.1926","0.0002","90","","105.003","0.002","90","","1711.38","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({5-Fluoro-2-[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C18 H17 F4 N3 O -","- C18 H17 F4 N3 O -","- C72 H68 F16 N12 O4 -","4","2","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0592","0.0474","","","0.1314","0.1359","","","","","","1.028","","","","has coordinates,has disorder","268133","2021-08-19","01:42:50",""
"2022418","4.933","0.0005","10.9919","0.0006","17.4202","0.0014","90","","94.718","0.008","90","","941.38","0.13","296.6","0.3","296.6","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({2-[(3a<i>R</i>,8a<i>S</i>)-8,8a-Dihydro-3a<i>H</i>-indeno[1,2-<i>d</i>]oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C22 H16 F3 N3 O -","- C22 H16 F3 N3 O -","- C44 H32 F6 N6 O2 -","2","1","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0606","0.0563","","","0.1537","0.1584","","","","","","1.072","","","","has coordinates","268133","2021-08-19","01:42:50",""
"2022419","7.4417","0.0001","9.8831","0.0001","43.0002","0.0006","90","","92.742","0.001","90","","3158.92","0.07","90","2","90","2","","","","","","","","2","P 1 21 1","P 2yb","4","Form I","5α,14α-Androstane, Form I","","- C19 H32 -","- C19 H32 -","- C152 H256 -","8","4","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0461","0.0445","","","0.1289","0.1328","","","","","","1.087","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:31",""
"2022420","7.1699","0.0001","22.148","0.0003","29.8734","0.0005","90","","90","","90","","4743.86","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5α,14α-Androstane, Form II w/ impurity","5α,14α-Androstane, Form II w/ impurity","","- C57 H94 O -","- C57 H94 O -","- C228 H376 O4 -","4","1","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0478","0.0445","","","0.1106","0.1122","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","268157","2021-08-21","01:46:32",""
"2022421","7.1465","0.0001","22.2064","0.0001","30.0679","0.0001","90","","90","","90","","4771.72","0.07","90","2","90","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Androstane Form II Pure","5α,14α-Androstane","","- C19 H32 -","- C19 H32 -","- C228 H384 -","12","3","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0305","0.0301","","","0.0797","0.0799","","","","","","1.034","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:32",""
"2022422","10.6835","0.0015","12.8042","0.0018","15.795","0.002","77.614","0.003","75.849","0.003","70.332","0.003","1952.1","0.5","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","(Triphenylmethoxo){tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>''}iron(II)","","- C40 H53 B Fe O S3 -","- C40 H53 B Fe O S3 -","- C80 H106 B2 Fe2 O2 S6 -","2","1","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.0977","0.055","","","0.1093","0.1299","","","","","","0.976","","","","has coordinates,has Fobs","268181","2021-08-24","01:55:43",""
"2022423","11.496","0.0019","15.036","0.002","36.375","0.006","90","","91.664","0.002","90","","6284.9","1.7","200","2","200.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,6-Dimethylphenolato){tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>''}iron(II)","","- C29 H47 B Fe O S3 -","- C29 H47 B Fe O S3 -","- C232 H376 B8 Fe8 O8 S24 -","8","1","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.0338","0.0325","","","0.0782","0.0791","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:47",""
"2022424","10.359","0.003","13.084","0.004","13.98","0.004","71.048","0.005","87.964","0.005","82.954","0.005","1778.5","0.9","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","Bis{μ-tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>''}bis[(phenolato-κ<i>O</i>)iron(II)] toluene disolvate","","- C68 H102 B2 Fe2 O2 S6 -","- C68 H102 B2 Fe2 O2 S6 -","- C68 H102 B2 Fe2 O2 S6 -","1","0.5","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.1045","0.0697","","","0.1719","0.1994","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:56",""
"2022425","14.409","0.004","9.494","0.002","18.745","0.005","90","","90.938","0.004","90","","2564","1.1","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-tris[(<i>tert</i>-butylsulfanyl)methyl](2-oxidophenolato)borato-κ<i>O</i>,<i>O</i>',<i>S</i>,<i>S</i>':<i>O</i>'}dicobalt(II)","","- C42 H74 B2 Co2 O4 S6 -","- C42 H74 B2 Co2 O4 S6 -","- C84 H148 B4 Co4 O8 S12 -","2","0.5","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","","0.71073","MoKα","","0.0984","0.0466","","","0.0923","0.1118","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:59",""
"2022426","7.3192","0.0014","8.2802","0.0008","31.3093","0.0004","90","","90.162","0.002","90","","1897.5","0.4","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Fluoranthene‒1,2,4,5-tetracyanobenzene (1/1)","Fluoranthene‒benzene-1,2,4,5-tetracarbonitrile (1/1)","","- C26 H12 N4 -","- C26 H12 N4 -","- C104 H48 N16 -","4","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.1332","0.0607","","","0.1068","0.1377","","","","","","1.064","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:00",""
"2022427","15.4617","0.0012","7.0577","0.0006","16.9113","0.0016","90","","95.095","0.003","90","","1838.1","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fluoranthene‒tetrafluoroterephthalonitrile (1/1)","Fluoranthene‒2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile (1/1)","","- C24 H10 F4 N2 -","- C24 H10 F4 N2 -","- C96 H40 F16 N8 -","4","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.123","0.0561","","","0.1187","0.1541","","","","","","1.01","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:01",""
"2022428","6.773","0.001","14.323","0.002","10.02","0.0014","90","","99.732","0.004","90","","958","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","Fluoranthene‒octafluoronaphthalene (1/1)","Fluoranthene‒1,2,3,4,5,6,7,8-octafluoronaphthalene (1/1)","","- C26 H10 F8 -","- C26 H10 F8 -","- C52 H20 F16 -","2","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.1449","0.0654","","","0.1052","0.1397","","","","","","1.049","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:01",""
"2022429","8.6256","0.0012","9.668","0.0013","30.557","0.004","90","","90","","90","","2548.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quininium aspirinate","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol 2-acetoxybenzoate","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","EP3016","Harris, Nehemiah; Benedict, Jubilee; Dickie, Diane A.; Pagola, Silvina","Mechanochemical synthesis insights and solid-state characterization of quininium aspirinate, a glass-forming drug‒drug salt","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008275","","","0.71073","MoKα","","0.058","0.0399","","","0.0739","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","268225","2021-08-26","02:02:25",""
"2022430","9.7415","0.0006","16.3378","0.0008","9.6396","0.0005","90","","91.68","0.002","90","","1533.53","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate","","- C24 H40 N4 O16 S2 -","- C24 H40 N4 O16 S2 -","- C48 H80 N8 O32 S4 -","2","0.5","OV3153","Santana, Carlos L.; Reinheimer, Eric W.; Groeneman, Ryan H.","Square network based upon the molecular salt of the tetraprotonated photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008597","","","0.71073","MoKα","","0.0337","0.0331","","","0.0883","0.0887","","","","","","1.016","","","","has coordinates,has Fobs","268226","2021-08-26","02:02:53",""
"2022431","21.243","0.004","18.997","0.004","21.743","0.004","90","","118.6","0.03","90","","7704","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]diantimony(I)(2 <i>Sb</i>—<i>Sb</i>) tetrahydrofuran heptasolvate","","- C78 H126 N4 O7 Sb2 -","- C78 H126 N4 O7 Sb2 -","- C312 H504 N16 O28 Sb8 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.1045","0.0914","","","0.2653","0.2713","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","268227","2021-08-26","02:04:36",""
"2022432","18.443","0.004","20.455","0.004","12.817","0.003","90","","97.46","0.03","90","","4794.3","1.8","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]chloridoantimony(III)","","- C50 H70 Cl N4 Sb -","- C50 H70 Cl N4 Sb -","- C200 H280 Cl4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.0295","0.0286","","","0.0727","0.0732","","","","","","1.076","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:36",""
"2022433","18.7239","0.0014","20.5497","0.0017","12.9785","0.001","90","","96.886","0.004","90","","4957.7","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]bromidoantimony(III)","","- C50 H70 Br N4 Sb -","- C50 H70 Br N4 Sb -","- C200 H280 Br4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0821","0.0398","","","0.0855","0.1024","","","","","","1.01","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022434","18.616","0.002","20.713","0.002","12.9942","0.0013","90","","96.75","0.005","90","","4975.7","0.9","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]iodidoantimony(III)","","- C50 H70 I N4 Sb -","- C50 H70 I N4 Sb -","- C200 H280 I4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0917","0.0452","","","0.0972","0.1179","","","","","","1.01","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022435","10.105","0.002","10.332","0.002","14.24","0.003","96.69","0.03","103.93","0.03","111.72","0.03","1305.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)formamidinato]dibromidoantimony(III)","","- C25 H35 Br2 N2 Sb -","- C25 H35 Br2 N2 Sb -","- C50 H70 Br4 N4 Sb2 -","2","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.029","0.0282","","","0.0746","0.0751","","","","","","1.072","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022436","10.4137","0.0004","10.5559","0.0004","14.6097","0.0005","95.876","0.002","104.946","0.002","111.754","0.002","1405.65","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)formamidinato]diiodidoantimony(III)","","- C25 H35 I2 N2 Sb -","- C25 H35 I2 N2 Sb -","- C50 H70 I4 N4 Sb2 -","2","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0885","0.071","","","0.2052","0.2265","","","","","","1.039","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022438","12.1701","0.0004","7.9283","0.0003","14.3228","0.0004","90","","98.898","0.001","90","","1365.35","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethylthiourea‒1,2-diiodo-3,4,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C36 H32 F16 I8 N8 S4 -","4","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0161","0.015","","","0.0318","0.0323","","","","","","1.111","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022439","8.5853","0.0005","11.6911","0.0007","23.4148","0.0017","90","","90","","90","","2350.2","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Thiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C7 H4 F4 I2 N2 S -","- C7 H4 F4 I2 N2 S -","- C56 H32 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0458","","","","","","1.105","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022440","7.1432","0.0006","7.8452","0.0006","13.7688","0.0012","83.922","0.003","76.598","0.003","69.092","0.003","700.94","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C18 H16 F8 I4 N4 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0274","0.0205","","","0.0419","0.0469","","","","","","1.272","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022441","19.3088","0.0013","7.3062","0.0005","22.8048","0.0015","90","","93.93","0.004","90","","3209.6","0.4","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene‒methanol (1/1/1)","","- C10 H12 F4 I2 N2 O S -","- C10 H12 F4 I2 N2 O S -","- C80 H96 F32 I16 N16 O8 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0152","0.0149","","","0.0331","0.0332","","","","","","1.314","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022442","20.3027","0.0006","7.5161","0.0002","22.5373","0.0007","90","","93.872","0.001","90","","3431.28","0.17","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene‒ethanol (1/1/1)","","- C11 H14 F4 I2 N2 O S -","- C11 H14 F4 I2 N2 O S -","- C88 H112 F32 I16 N16 O8 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0213","0.0179","","","0.0381","0.0402","","","","","","1.067","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022443","26.134","0.003","7.4435","0.0007","14.732","0.0015","90","","104.65","0.004","90","","2772.6","0.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,4-diiodo-2,3,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C72 H64 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0187","0.0168","","","0.035","0.0356","","","","","","1.166","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022444","7.5014","0.0006","9.1065","0.0008","11.8534","0.001","79.871","0.003","83.011","0.003","74.41","0.003","765.41","0.11","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","1,3-Dimethylthiourea‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C9 H8 F3 I3 N2 S -","- C9 H8 F3 I3 N2 S -","- C18 H16 F6 I6 N4 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0108","0.0105","","","0.0242","0.0244","","","","","","1.103","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022445","22.3783","0.0003","4.32943","0.00005","14.67541","0.00019","90","","107.243","0.0014","90","","1357.93","0.03","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,1,2,2-tetraiodoethene (1/1)","","- C5 H8 I4 N2 S -","- C5 H8 I4 N2 S -","- C20 H32 I16 N8 S4 -","4","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","x-ray","0.71073","MoKα","","0.0154","0.0151","","","0.0365","0.0366","","","","","","1.234","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:24",""
"2022446","7.7715","0.0001","12.3862","0.0001","14.129","0.0001","78.476","0.001","79.61","0.001","74.766","0.001","1273.99","0.02","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","[(Dimethylamino)methylidene](1,2,2-triiodoethenyl)sulfonium iodide‒1,1,2,2-tetraiodoethene‒acetone (1/1/1)","","- C10 H14 I8 N2 O S -","- C10 H14 I8 N2 O S -","- C20 H28 I16 N4 O2 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","x-ray","0.71073","MoKα","","0.034","0.022","","","0.0385","0.0473","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:24",""
"2022447","7.813","0.004","30.677","0.012","9.085","0.005","90","","113.429","0.015","90","","1998","1.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methyl-1,3-thiazol-3-ium iodide‒1,1,2,2-tetraiodoethene (2/3)","","- C14 H14 I14 N4 S2 -","- C14 H14 I14 N4 S2 -","- C28 H28 I28 N8 S4 -","2","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0202","0.0176","","","0.0366","0.0378","","","","","","1.104","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:25",""
"2022448","7.6879","0.0001","16.2822","0.0003","19.0763","0.0003","90","","94.074","0.001","90","","2381.86","0.07","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4-Dimethyl-4<i>H</i>-1,3,5-thiadiazine-3,5-diium diiodide‒1,1,2,2-tetraiodoethene (2/3)","","- C16 H24 I16 N8 S2 -","- C16 H24 I16 N8 S2 -","- C32 H48 I32 N16 S4 -","2","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0284","0.0234","","","0.0469","0.0485","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:25",""
"2022449","10.0692","0.0003","14.3797","0.0004","17.3124","0.0004","89.98","0.002","80.578","0.002","75.145","0.002","2387.95","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III)","","- C15 H30 N3 S6 Sb -","- C15 H30 N3 S6 Sb -","- C60 H120 N12 S24 Sb4 -","4","2","CU3175","Ng, Seik Weng","Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony","Acta Crystallographica Section C","2021","77","10","610","614","10.1107/S205322962100886X","","","0.71073","MoKα","","0.0696","0.0425","","","0.0736","0.0871","","","","","","0.999","","","","has coordinates,has Fobs","271916","2022-01-06","23:32:39",""
"2022450","12.4204","0.001","13.5117","0.001","14.6614","0.0011","90","","99.832","0.008","90","","2424.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III)","","- C15 H30 N3 S6 Sb -","- C15 H30 N3 S6 Sb -","- C60 H120 N12 S24 Sb4 -","4","1","CU3175","Ng, Seik Weng","Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony","Acta Crystallographica Section C","2021","77","10","610","614","10.1107/S205322962100886X","","","0.71073","MoKα","","0.1124","0.0566","","","0.0825","0.1069","","","","","","1.001","","","","has coordinates,has Fobs","271916","2022-01-06","23:32:39",""
"2022451","25.725","0.004","5.0236","0.0009","17.274","0.003","90","","127.393","0.004","90","","1773.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua[μ~4~-1'-carboxy-3,3'-(diazene-1,2-diyl)dibenzene-1,2,2'-tricarboxylato]gadolinium(III)","","- C16 H11 Gd N2 O10 -","- C16 H11 Gd N2 O10 -","- C64 H44 Gd4 N8 O40 -","4","0.5","CU3174","Wei, Wen-Wen; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li; Englert, Ulli","Synthesis, structure and magnetocaloric properties of a new two-dimensional gadolinium(III) coordination polymer based on azobenzene-2,2',3,3'-tetracarboxylic acid","Acta Crystallographica Section C","2021","77","10","591","598","10.1107/S2053229621008871","","","0.71073","MoKα","","0.0139","0.0128","","","0.0332","0.0336","","","","","","1.105","","","","has coordinates,has Fobs","271918","2022-01-06","23:32:57",""
"2022452","29.3337","0.0013","29.3337","0.0013","7.3922","0.0006","90","","90","","120","","5508.6","0.6","297","2","297.15","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","1-Methyltryptammonium chloride","2-(1-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C198 H270 Cl18 N36 -","18","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0441","0.0376","","","0.0979","0.103","","","","","","1.033","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:14",""
"2022453","10.399","0.0006","16.3016","0.001","37.091","0.002","90","","97.963","0.002","90","","6227.1","0.6","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methyl-1-phenyltryptammonium chloride","2-(2-Methyl-1-phenyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C17 H19 Cl N2 -","- C17 H19 Cl N2 -","- C272 H304 Cl16 N32 -","16","4","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0886","0.0542","","","0.115","0.1301","","","","","","1.076","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:14",""
"2022454","14.6858","0.0008","8.3613","0.0004","9.7878","0.0005","90","","102.742","0.002","90","","1172.27","0.1","297","2","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Methoxytryptammonium chloride","2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 O -","- C11 H15 Cl N2 O -","- C44 H60 Cl4 N8 O4 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0447","0.0345","","","0.0894","0.0982","","","","","","1.034","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022455","8.6153","0.0006","9.3766","0.0005","29.173","0.002","90","","90","","90","","2356.7","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Bromotryptammonium chloride","2-(5-Bromo-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Br Cl N2 -","- C10 H12 Br Cl N2 -","- C80 H96 Br8 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0622","0.0473","","","0.0897","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022456","14.703","0.0009","8.6058","0.0005","9.4141","0.0005","90","","106.45","0.002","90","","1142.42","0.11","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Chlorotryptammonium chloride","2-(5-Chloro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl2 N2 -","- C10 H12 Cl2 N2 -","- C40 H48 Cl8 N8 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0501","0.0361","","","0.0787","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022457","8.6708","0.0004","9.6684","0.0005","25.6854","0.0012","90","","90","","90","","2153.28","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Fluorotryptammonium chloride","2-(5-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0492","0.0411","","","0.0937","0.0992","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022458","14.9939","0.001","8.427","0.0005","9.5388","0.0006","90","","107.774","0.002","90","","1147.73","0.13","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Methyltryptammonium chloride","2-(5-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C44 H60 Cl4 N8 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0607","0.0492","","","0.1396","0.1476","","","","","","1.154","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022459","8.3572","0.0004","10.3493","0.0005","24.3824","0.0013","90","","90","","90","","2108.86","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-Fluorotryptammonium chloride","2-(6-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0424","0.0368","","","0.0891","0.0928","","","","","","1.147","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022460","9.1893","0.0005","9.3259","0.0004","27.5149","0.0015","90","","90","","90","","2358","0.2","297","2","297.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-Methyltryptammonium chloride","2-(7-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C88 H120 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0538","0.039","","","0.0837","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022461","8.0616","0.0005","17.8873","0.0008","9.5504","0.0004","90","","95.49","0.004","90","","1370.85","0.12","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine","","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C64 H52 N20 O8 -","4","1","EQ3001","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Kennedy, Alan R.","Synthesis, spectroscopic characterization, structural studies, thermal analysis and molecular docking of <i>N</i>-(2-methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine, a precursor for drug design against chronic myeloid leukemia","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621009487","","","1.54184","CuKα","","0.0494","0.043","","","0.1167","0.1233","","","","","","1.014","","","","has coordinates,has Fobs","269281","2021-09-24","01:56:54",""
"2022462","8.4226","0.0005","13.4978","0.0008","15.206","0.0008","74.26","0.002","82.358","0.002","75.781","0.002","1608.84","0.16","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(4-{[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^]methyl}benzoic acid)copper(II) methanol sesquisolvate hemihydrate","","- C31.5 H29 Cl2 Cu N6 O6 -","- C31.5 H29 Cl2 Cu N6 O6 -","- C63 H58 Cl4 Cu2 N12 O12 -","2","1","KY3208","Li, Xinhua; Niu, Mengyuan; Wang, Ai; Lu, Liping; Englert, Ulli; Feng, Sisi; Zhang, Lizhen; Yuan, Caixia","Synthesis, structure and <i>in vitro</i> biological properties of a new copper(II) complex with 4-{[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]methyl}benzoic acid","Acta Crystallographica Section C","2021","77","10","641","648","10.1107/S2053229621009748","","","0.71073","MoKα","","0.0839","0.0481","","","0.0977","0.1116","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","271915","2022-01-06","23:32:18",""
"2022463","13.691","0.0004","11.2468","0.0002","10.3665","0.0002","90","","106.98","0.003","90","","1526.65","0.06","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","x-ray","0.71073","MoKα","","0.0488","0.034","","","0.0766","0.0853","","","","","","1.051","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022464","8.477","0.0007","19.618","0.0015","9.803","0.0009","90","","108.025","0.005","90","","1550.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(3-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.105","0.0687","","","0.1161","0.1274","","","","10.686","10.686","1.083","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022465","12.252","0.0003","12.293","0.0003","10.405","0.0003","90","","92.516","0.002","90","","1565.63","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(4-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.0354","0.0273","","","0.0663","0.07","","","","23.303","23.303","1.038","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022466","13.778","0.0002","11.405","0.0002","10.402","0.0003","90","","105.828","0.001","90","","1572.58","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","1-(4-Chlorophenyl)-4-methyl-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C17 H13 Cl N2 Se -","- C17 H13 Cl N2 Se -","- C68 H52 Cl4 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.0271","0.0222","","","0.0534","0.0557","","","","","","1.05","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022467","4.625","0.0001","24.0147","0.0007","7.6617","0.0002","90","","105.595","0.001","90","","819.64","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-<i>D</i>-galactopyranosyl-(1\ρightarrow4)-β-<i>D</i>-glucopyranoside monohydrate","Methyl β-lactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","EQ3002","Lin, Jieye; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-lactoside [methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-glucopyranoside] monohydrate: a solvomorphism study","Acta Crystallographica Section C","2021","77","10","668","674","10.1107/S2053229621009499","","","1.54178","CuKα","","0.0263","0.0261","","","0.0704","0.0706","","","","","","1.037","","","","has coordinates,has Fobs","269399","2021-09-30","02:20:38",""
"2022468","6.5324","0.0003","10.6141","0.0008","14.1675","0.0009","80.364","0.005","81.094","0.004","74.507","0.005","926.97","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-fluorophenyl)imino]methyl}phenol","","- C21 H26 F N O -","- C21 H26 F N O -","- C42 H52 F2 N2 O2 -","2","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0843","0.0541","","","0.0988","0.1101","","","","","","1.043","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:23",""
"2022469","12.2569","0.0003","8.9658","0.0002","16.5739","0.0004","90","","90","","90","","1821.35","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-fluorophenyl)imino]methyl}phenol","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0371","0.0341","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:24",""
"2022470","17.9412","0.0017","10.5067","0.0007","10.389","0.0007","90","","92.719","0.007","90","","1956.2","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0983","0.056","","","0.1118","0.1325","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022471","17.8739","0.0013","10.4846","0.0007","10.3312","0.0006","90","","92.296","0.005","90","","1934.5","0.2","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.108","0.0623","","","0.1214","0.1445","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022472","17.8132","0.0012","10.4564","0.0006","10.2814","0.0006","90","","91.965","0.005","90","","1913.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0695","0.0509","","","0.1105","0.1196","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022473","17.7326","0.0013","10.4696","0.0007","10.2385","0.0007","90","","91.536","0.006","90","","1900.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.1005","0.0632","","","0.1207","0.1383","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022474","17.3623","0.0008","10.6691","0.0004","10.1512","0.0006","90","","90.123","0.005","90","","1880.41","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","x-ray","0.71073","MoKα","","0.0978","0.0716","","","0.1664","0.1841","","","","","","1.077","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022475","17.3011","0.0011","10.678","0.0007","10.12","0.0006","90","","90.252","0.006","90","","1869.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","x-ray","0.71073","MoKα","","0.1023","0.0709","","","0.1574","0.1761","","","","","","1.078","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022476","18.0356","0.0007","10.5891","0.0003","10.3641","0.0003","90","","92.894","0.003","90","","1976.82","0.11","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C20.997 H25.991 Br N O -","- C83.988 H103.964 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0639","0.0443","","","0.1055","0.1175","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022477","17.9642","0.0004","10.5593","0.0002","10.3153","0.0002","90","","92.535","0.002","90","","1954.79","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0746","0.0394","","","0.0888","0.1011","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022478","17.8944","0.0004","10.54749","0.00018","10.2693","0.0002","90","","92.1529","0.0018","90","","1936.87","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0601","0.0352","","","0.0747","0.083","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022479","17.8028","0.0003","10.55679","0.00016","10.2191","0.00018","90","","91.695","0.0016","90","","1919.74","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0473","0.0309","","","0.0671","0.0727","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022480","17.5364","0.0003","10.65933","0.00019","10.1718","0.0002","90","","90.6047","0.0016","90","","1901.27","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0458","0.0319","","","0.0684","0.0739","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022481","17.445","0.0003","10.69412","0.00016","10.1501","0.00017","90","","90.1557","0.0016","90","","1893.58","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0364","0.0261","","","0.0558","0.0595","","","","","","1.037","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022484","13.967","0.001","9.6528","0.0009","10.981","0.001","90","","95.41","","90","","1473.9","0.2","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cr N3 O18 -","- Cr0.5 N1.5 O9 -","- Cr2 N6 O36 -","4","2","","Lazar, D.; Ribár, B.; Divjaković, V.; Mészáros, Cs.","Structure of hexaaquachromium(III) nitrate trihydrate","Acta Crystallographica Section C Crystal Structure Communications","1991","47","5","1060","1062","10.1107/S0108270190012628","","","","","","","","","","","","","","","","","","","","","has coordinates","270836","2021-11-23","15:28:25",""
"2022485","11.6652","0.0007","20.9692","0.0015","11.0438","0.0008","90","","113.609","0.002","90","","2475.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]","","- C27 H18 Co N2 O8 -","- C27 H18 Co N2 O8 -","- C108 H72 Co4 N8 O32 -","4","1","EF3025","Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun","Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621012973","","","0.71073","MoKα","","0.17","0.0723","","","0.1447","0.1799","","","","","","1.02","","","","has coordinates,has Fobs","271339","2021-12-11","02:44:18",""
"2022486","11.6277","0.0008","20.8495","0.0014","11.0075","0.0009","90","","113.689","0.002","90","","2443.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]","","- C27 H18 N2 Ni O8 -","- C27 H18 N2 Ni O8 -","- C108 H72 N8 Ni4 O32 -","4","1","EF3025","Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun","Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621012973","","","0.71073","MoKα","","0.1464","0.0694","","","0.1313","0.1574","","","","","","1.025","","","","has coordinates,has Fobs","271339","2021-12-11","02:44:20",""
"2022487","7.2214","0.0002","6.6059","0.0003","25.962","0.0009","90","","94.233","0.003","90","","1235.11","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Formylpyridine 4-phenylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Phenyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamide","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0667","0.0486","","","0.1237","0.1397","","","","","","1.034","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:14",""
"2022488","15.8897","0.0003","10.9845","0.0002","16.8393","0.0003","90","","90","","90","","2939.14","0.09","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzoylpyridine 4-ethylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Ethyl-2-[phenyl(pyridin-4-yl)methylidene]hydrazine-1-carbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C120 H128 N32 S8 -","8","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0557","0.0403","","","0.1012","0.1102","","","","","","1.037","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:26",""
"2022489","18.7299","0.0009","11.1592","0.0002","21.6646","0.0007","90","","96.296","0.004","90","","4500.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chlorido(3-formylpyridine 4-phenylthiosemicarbazone-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) acetonitrile monosolvate","Chlorido[(<i>E</i>)-<i>N</i>-phenyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamide-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetonitrile monosolvate","","- C51 H45 Cl Cu N5 P2 S -","- C51 H45 Cl Cu N5 P2 S -","- C204 H180 Cl4 Cu4 N20 P8 S4 -","4","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","","0.71073","MoKα","","0.1813","0.115","","","0.1976","0.2315","","","","","","1.174","","","","has coordinates,has disorder,has Fobs","271558","2021-12-21","02:59:31",""
"2022490","7.6398","0.0006","14.393","0.0008","9.7339","0.0007","90","","107.823","0.008","90","","1018.97","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)","Bis[(<i>Z</i>)-<i>N</i>-ethyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)","","- C18 H22 N8 Ni S2 -","- C18 H22 N8 Ni S2 -","- C36 H44 N16 Ni2 S4 -","2","0.5","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.056","0.0395","","","0.0855","0.0952","","","","","","1.05","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:37",""
"2022492","17.0494","0.0009","6.9334","0.0003","15.241","0.001","90","","108.635","0.007","90","","1707.19","0.18","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[1-(4-Methylphenyl)-1-oxohexan-2-yl]pyrrolidin-1-ium chloride","","- C17 H26 Cl N O -","- C17 H26 Cl N O -","- C68 H104 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.0839","0.0499","","","0.1203","0.1426","","","","","","1.025","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:16",""
"2022493","14.0379","0.0013","10.3133","0.0005","11.4344","0.0007","90","","96.829","0.007","90","","1643.7","0.2","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methyl-1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride","","- C16 H24 Cl N O -","- C16 H24 Cl N O -","- C64 H96 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.12","0.0639","","","0.1682","0.2447","","","","","","1.081","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:17",""
"2022494","7.1747","0.0002","7.8832","0.0002","24.9469","0.0006","90","","93.765","0.002","90","","1407.94","0.06","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl[1-(4-methylphenyl)-1-oxopentan-2-yl]azanium chloride","","- C13 H20 Cl N O -","- C13 H20 Cl N O -","- C52 H80 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.0435","0.0424","","","0.1266","0.1279","","","","","","1.083","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:17",""
"2022495","9.8459","0.0002","10.953","0.0002","12.6881","0.0003","90","","91.524","0.002","90","","1367.83","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitrobenzenesulfonamide–4-nitropyridine <i>N</i>-oxide (1/1)","","- C11 H10 N4 O7 S -","- C11 H10 N4 O7 S -","- C44 H40 N16 O28 S4 -","4","1","ZO3015","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals","Acta Crystallographica Section C","2022","78","1","7","13","10.1107/S2053229621012511","","","1.54184","CuKα","","0.0317","0.0302","","","0.0787","0.0802","","","","","","1.055","","","","has coordinates,has Fobs","271669","2022-01-01","04:31:28",""
"2022496","7.392","0.002","11.2356","0.0008","16.674","0.019","90","","101.33","0.05","90","","1357.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chlorobenzenesulfonamide–4-nitropyridine <i>N</i>-oxide (1/1)","","- C11 H10 Cl N3 O5 S -","- C11 H10 Cl N3 O5 S -","- C44 H40 Cl4 N12 O20 S4 -","4","1","ZO3015","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals","Acta Crystallographica Section C","2022","78","1","7","13","10.1107/S2053229621012511","","","0.71073","MoKα","","0.1201","0.0884","","","0.1707","0.1826","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","271669","2022-01-01","04:31:29",""
"2022497","7.1209","0.0005","12.1988","0.0012","20.1202","0.0018","90","","90","","90","","1747.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acridin-1-ium 4-aminosalicylate","Acridin-1-ium 4-amino-2-hydroxybenzoate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.0408","0.0369","","","0.1069","0.1124","","","","","","1.072","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:09",""
"2022498","11.4959","0.0007","8.3756","0.0009","17.45","0.0016","90","","102.255","0.002","90","","1641.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acridin-1-ium 5-chlorosalicylate","Acridin-1-ium 5-chloro-2-hydroxybenzoate","","- C20 H14 Cl N O3 -","- C20 H14 Cl N O3 -","- C80 H56 Cl4 N4 O12 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.0605","0.0443","","","0.123","0.1322","","","","","","1.132","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:09",""
"2022499","7.3436","0.0013","11.0761","0.0015","23.123","0.003","90","","90.835","0.005","90","","1880.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acridin-1-ium hippurate monohydrate","Acridin-1-ium 2-benzamidoacetate monohydrate","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.1033","0.0705","","","0.1483","0.1623","","","","","","1.066","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:10",""
"2022500","5.5666","0.0004","8.7105","0.0006","9.8314","0.0007","90","","100.311","0.001","90","","469.01","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[(<i>S</i>)-2-amino-3-hydroxypropanoato-κ^2^<i>N</i>,<i>O</i>^1^]cobalt(II)]-μ-(<i>S</i>)-2-amino-3-hydroxypropanoato-κ^4^<i>O</i>^1^,<i>O</i>^3^:<i>N</i>,<i>O</i>^1'^]","","- C6 H12 Co N2 O6 -","- C6 H12 Co N2 O6 -","- C12 H24 Co2 N4 O12 -","2","1","OP3014","Dzesse T., Christelle N.; Majoumo-Mbe, Felicite; Nfor, Emmanuel N.; Bourne, Susan A.","A homochiral coordination polymer of cobalt(II) and <small>L</small>-serine","Acta Crystallographica Section C","2021","77","12","764","769","10.1107/S2053229621011347","","","0.71073","MoKα","","0.0217","0.021","","","0.0474","0.0477","","","","","","1.032","","","","has coordinates,has Fobs","271880","2022-01-06","22:35:45",""
"2022501","8.4792","0.0006","10.1307","0.0007","16.3774","0.0011","90","","93.485","0.001","90","","1404.22","0.17","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.0531","0.0391","","","0.0874","0.0928","","","","","","1.062","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:34",""
"2022502","11.4978","0.0005","9.5235","0.0004","12.7179","0.0005","90","","100.771","0.001","90","","1368.07","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.0378","0.0283","","","0.0618","0.0647","","","","","","1.029","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:35",""
"2022503","8.4041","0.0007","10.0681","0.0009","16.236","0.0014","90","","93.06","0.002","90","","1371.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C26 H20 N14 Ni S2 -","- C26 H20 N14 Ni S2 -","- C52 H40 N28 Ni2 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","","0.71073","MoKα","","0.0595","0.0365","","","0.0777","0.0851","","","","","","1.022","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022504","11.586","0.0014","9.5489","0.0012","12.8132","0.0016","90","","100.806","0.002","90","","1392.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C26 H20 N14 Ni S2 -","- C26 H20 N14 Ni S2 -","- C52 H40 N28 Ni2 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.1047","0.0582","","","0.1195","0.1361","","","","","","1.055","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022505","8.487","0.005","10.249","0.006","16.539","0.01","90","","93.419","0.013","90","","1436.1","1.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.1258","0.0593","","","0.1397","0.166","","","","","","1.024","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022506","11.5855","0.0006","9.5998","0.0005","12.8411","0.0006","90","","101.3","0.001","90","","1400.48","0.12","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","","0.71073","MoKα","","0.0486","0.0335","","","0.0735","0.0791","","","","","","1.03","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022507","7.7181","0.0005","8.2139","0.0006","8.7684","0.0006","79.847","0.006","66.782","0.007","64.907","0.007","462.62","0.07","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","3-(Dimethylamino)-1,1-difluoro-1<i>H</i>-pyrido[1,2-<i>c</i>][1,3,5,2]-oxadiazaborinin-9-ium-1-uide","","- C8 H10 B F2 N3 O -","- C8 H10 B F2 N3 O -","- C16 H20 B2 F4 N6 O2 -","2","1","WV3007","Ośmiałowski, Borys; Dziuk, Błażej; Ejsmont, Krzysztof; Checińska, Lilianna; Dobrzańska, Liliana","Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates","Acta Crystallographica Section C","2021","77","12","807","813","10.1107/S2053229621012249","","","0.71073","MoKα","","0.0498","0.0433","","","0.1214","0.1291","","","","","","1.072","","","","has coordinates,has Fobs","271882","2022-01-06","22:38:10",""
"2022508","8.1445","0.0003","8.2758","0.0003","12.7398","0.0006","93.518","0.004","105.066","0.004","95.613","0.003","821.83","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","3-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1,1-difluoro-1<i>H</i>-pyrido[1,2-<i>c</i>][1,3,5,2]oxadiazaborinin-9-ium-1-uide","","- C18 H18 B F2 N3 O -","- C18 H18 B F2 N3 O -","- C36 H36 B2 F4 N6 O2 -","2","1","WV3007","Ośmiałowski, Borys; Dziuk, Błażej; Ejsmont, Krzysztof; Checińska, Lilianna; Dobrzańska, Liliana","Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates","Acta Crystallographica Section C","2021","77","12","807","813","10.1107/S2053229621012249","","","0.71073","MoKα","","0.0719","0.0526","","","0.1357","0.153","","","","","","1.03","","","","has coordinates,has Fobs","271882","2022-01-06","22:38:11",""
"2022509","11.0241","0.0014","18.827","0.003","6.881","0.0011","90","","92.816","0.004","90","","1426.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)benzoato-κ^3^<i>N</i>^4^:<i>N</i>^4'^:<i>O</i>]chloridomanganese(II)] monohydrate]","","- C11 H11 Cl Mn N6 O4 -","- C11 H11 Cl Mn N6 O4 -","- C44 H44 Cl4 Mn4 N24 O16 -","4","1","EF3023","Zhao, Dan; An, Yanyan; Guo, Tingting; Yan, Juanzhi; Song, Danmei","A three-dimensional manganese(II) coordination polymer with two functional properties: magnetism and photochemical detection","Acta Crystallographica Section C","2021","77","12","782","789","10.1107/S2053229621011797","","","0.71073","MoKα","","0.0936","0.0484","","","0.0813","0.0942","","","","","","1.024","","","","has coordinates,has Fobs","271883","2022-01-06","22:38:39",""
"2022510","5.8737","0.0009","8.3842","0.0013","13.788","0.002","90","","95.025","0.002","90","","676.4","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua[μ~3~-(<i>S</i>)-2-(benzylamino)succinato-κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^]cadmium(II)] monohydrate]","","- C11 H17 Cd N O7 -","- C11 H17 Cd N O7 -","- C22 H34 Cd2 N2 O14 -","2","1","YP3220","Liu, Yan; Zhang, Hong-Tao","A new two-dimensional folding sheet-like coordination polymer assembled from cadmium(II) and (<i>S</i>)-2-(benzylamino)succinic acid: synthesis, structure and properties","Acta Crystallographica Section C","2021","77","12","770","776","10.1107/S2053229621011578","","","0.71073","MoKα","","0.0378","0.0303","","","0.0609","0.0642","","","","","","0.941","","","","has coordinates,has Fobs","271884","2022-01-06","22:39:20",""
"2022511","5.7626","0.0004","36.693","0.002","14.3279","0.001","90","","90.07","0.01","90","","3029.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-7-phenylpyrazolo[1,5-<i>c</i>]pyrimidine","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","2","VP3019","Trivedi, Laxmikant; Gupta, Kratika; Mishra, Vipin; Gopakumar, Thiruvancheril G.; Gupta, Atul; Vasudev, Prema G.","Crystal structure and self-assembly on graphite of a pyrazolo[1,5-<i>c</i>]pyrimidine derivative","Acta Crystallographica Section C","2021","77","12","757","763","10.1107/S2053229621011232","","","0.71073","MoKα","","0.1146","0.0455","","","0.0996","0.1199","","","","","","0.848","","","","has coordinates,has Fobs","271885","2022-01-06","22:39:44",""
"2022512","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0744","0.0505","","","0.1008","0.1157","","","","","","1.1218","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022513","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0684","0.0455","","","0.0864","0.0959","","","","","","0.849","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022515","14.1863","0.0004","7.4446","0.0002","18.338","0.0005","90","","90.3606","0.001","90","","1936.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trioxazolo[2^3^]metacyclophane","Trioxazolo[2^3^]metacyclophane","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","1","EQ3005","Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S.","Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000298","","","0.71073","MoKα","","0.0454","0.037","","","0.0864","0.0907","","","","","","1.072","","","","has coordinates,has Fobs","272122","2022-01-19","02:32:22",""
"2022516","9.3633","0.0003","14.2339","0.0005","17.7479","0.0005","90","","90","","90","","2365.37","0.13","108","","108","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(2,6-diisopropylphenyl) tellurone","","- C24 H34 O2 Te -","- C24 H34 O2 Te -","- C96 H136 O8 Te4 -","4","0.5","EQ3003","Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto","Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000353","","","0.71073","MoKα","","0.0365","0.0248","","","0.0505","0.0548","","","","","","1.1","","","","has coordinates","272123","2022-01-19","02:32:57",""
"2022517","11.9972","0.0007","12.8711","0.0007","13.0907","0.0008","62.528","0.002","82.929","0.002","77.21","0.002","1748.47","0.18","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(acetonitrile-κ<i>N</i>)bis(pentacyanocyclopentadienido-κ<i>N</i>)iron(II) acetonitrile disolvate","","- C31.6 H17.4 Fe N15.8 -","- C31.6 H17.4 Fe N15.8 -","- C63.2 H34.8 Fe2 N31.6 -","2","1","EQ3004","Sünkel, Karlheinz; Blockhaus, Tobias","Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of <i>cis</i>-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe]","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000365","","","0.71073","MoKα","","0.0961","0.0639","","","0.1477","0.1627","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","272199","2022-01-22","02:28:43",""
"2022518","5.4591","0.0003","9.6001","0.0004","25.0301","0.0015","90","","90","","90","","1311.78","0.12","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0724","0.0484","","","0.084","0.0942","","","","","","1.007","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:09",""
"2022519","5.1311","0.0003","9.1135","0.0006","28.4","0.003","90","","90","","90","","1328.05","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0675","0.057","","","0.0904","0.0985","","","","","","1.143","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022520","14.0829","0.0005","7.749","0.0002","14.6419","0.0005","90","","116.329","0.005","90","","1432.09","0.1","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,3-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","","0.7107","MoKα","","0.0346","0.0298","","","0.0791","0.0813","","","","","","1.068","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022521","18.4026","0.0002","10.90882","0.00015","7.37881","0.00009","90","","90","","90","","1481.3","0.03","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","2,5-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,5-Diethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.022","0.0217","","","0.0594","0.0596","","","","","","1.047","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022522","7.22965","0.00006","37.4539","0.0003","10.85314","0.0001","90","","90.0541","0.0007","90","","2938.8","0.04","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3,5-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C136 H144 O16 S8 -","8","2","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","1.54184","CuKα","","0.0409","0.0401","","","0.0999","0.1005","","","","","","1.05","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022523","5.4341","0.0002","13.322","0.0005","20.9587","0.0012","90","","90","","90","","1517.26","0.12","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0738","0.0481","","","0.0821","0.0915","","","","","","1.036","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022524","5.3187","0.0003","8.3866","0.0007","36.019","0.002","90","","90","","90","","1606.66","0.18","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,5-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4,5-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","","0.7107","MoKα","","0.1218","0.0645","","","0.08","0.0948","","","","","","0.859","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022525","10.927","0.0004","7.2754","0.0003","40.2818","0.0019","90","","93.094","0.004","90","","3197.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4,5-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3,4,5-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C144 H160 O24 S8 -","8","2","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0649","0.047","","","0.1053","0.1148","","","","","","1.078","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022526","12.252","0.0005","7.0563","0.00019","19.1866","0.0006","90","","100.261","0.003","90","","1632.22","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4,6-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0593","0.0411","","","0.0959","0.1032","","","","","","1.025","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022527","13.88124","0.00012","15.36081","0.00004","5.59335","0.00002","90","","94.9763","0.0004","90","","1188.16","0.012","","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","cynarine monohydrate","1,3-Bis{[(<i>E</i>)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid monohydrate","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","powder diffraction","x-ray","0.45815","synchrotron","","","","","","0.07197","","","","1.226","","","","","","","has coordinates,has Fobs","272244","2022-01-26","02:54:21",""
"2022528","13.8811","","15.3608","","5.5934","","90","","94.98","","90","","1188.15","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","","","","","","","","","","","","","","","","","","","","","has coordinates","272244","2022-01-26","02:54:24",""
"2022529","9.8671","0.0007","10.6765","0.0008","11.8719","0.0008","85.77","0.002","86.907","0.002","63.586","0.002","1116.73","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[(3-Acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","2","LF3125","Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua","Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000924","","","0.71073","MoKα","","0.0471","0.031","","","0.0674","0.0737","","","","","","0.998","","","","has coordinates,has Fobs","272309","2022-01-28","02:36:12",""
"2022530","8.03","0.0005","10.1184","0.001","14.4723","0.0014","87.217","0.008","89.232","0.007","83.518","0.007","1166.95","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-1:2κ^4^<i>O</i>:<i>O</i>'-(μ-2-acetyl-6-{[(<i>Z</i>)-2-bromo-3-oxoprop-1-en-1-yl]azanidyl}phenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^6^)(<i>N</i>,<i>N</i>-dimethyl-acetamide-1κ<i>O</i>)dizinc(II)","","- C19 H23 Br N2 O8 Zn2 -","- C19 H23 Br N2 O8 Zn2 -","- C38 H46 Br2 N4 O16 Zn4 -","2","1","LF3125","Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua","Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000924","","","0.71073","MoKα","","0.0632","0.0387","","","0.079","0.0939","","","","","","1.007","","","","has coordinates,has Fobs","272309","2022-01-28","02:36:23",""
"2022531","17.9185","0.0007","18.0874","0.0008","26.5146","0.0011","90","","90","","90","","8593.4","0.6","296","","305.34","0.1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Poly[dimethylazanium [bis(μ-pyridine-2,5-dicarboxylato)gadolinium(III)]]","","- C16 H13 Gd N3 O8 -","- C16 H13 Gd N3 O8 -","- C256 H208 Gd16 N48 O128 -","16","0.5","DG3024","Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat","A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000419","","x-ray","0.71073","MoKα","","0.019","0.0175","","","0.0437","0.0445","","","","","","1.06","","","","has coordinates,has Fobs","272310","2022-01-28","02:36:56",""
"2022534","14.3402","0.0014","14.2577","0.0012","13.1777","0.0013","90","","90","","90","","2694.3","0.4","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Chlorido(3,9-dimethylundeca-3,8-diene-2,10-dione 10-oxime 2-oximato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II)","","- C11 H19 Cl N4 Ni O2 -","- C11 H19 Cl N4 Ni O2 -","- C88 H152 Cl8 N32 Ni8 O16 -","8","0.5","ZO3017","Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A.","Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction","Acta Crystallographica Section C Structural Chemistry","2022","78","3","","","10.1107/S2053229622000973","","","0.71073","MoKα","","0.0523","0.0357","","","0.0713","0.0799","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","272866","2022-02-09","02:47:36",""
"2022535","10.985","0.002","17.243","0.004","18.532","0.004","90","","101.014","0.003","90","","3445.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(μ-~3~η^4^:η^6^:η^4^-naphthalene)tetrakis(tetrahydrofuran)dipotassiumvanadium]","","- C36 H48 K2 O4 V -","- C36 H48 K2 O4 V -","- C144 H192 K8 O16 V4 -","4","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0858","0.0474","","","0.1061","0.12","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:35",""
"2022536","10.3028","0.0011","8.6409","0.0009","14.5778","0.0015","90","","108.835","0.002","90","","1228.3","0.2","173","2","173","2","","","","","","","","7","P 1 2 1","P 2y","3","([2.2.2]Cryptand)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(η^4^-naphthalene)vanadium tetrahydrofuran","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(naphthalene)vanadium tetrahydrofuran","","- C48 H76 K N2 O7 P2 V -","- C48 H76 K N2 O7 P2 V -","- C48 H76 K N2 O7 P2 V -","1","0.5","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0637","0.0404","","","0.0796","0.0888","","","","","","1.043","","","","has coordinates,has Fobs","272899","2022-02-10","02:57:40",""
"2022537","9.1729","0.0016","9.3501","0.0016","27.928","0.005","89.695","0.003","88.67","0.003","83.918","0.004","2381.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium [(η^4^-anthracene)(tetrahydrofuran)vanadium]-μ-η^4^:η^2^-anthracene-[(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium]-μ-η^2^:η^4^-anthracene-[(η^4^-anthracene)(tetrahydrofuran)vanadium] tetrahydrofuran disolvate","","- C104 H136 K2 O18 V2 -","- C104 H136 K2 O18 V2 -","- C104 H136 K2 O18 V2 -","1","0.5","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.1245","0.0534","","","0.0977","0.1222","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022538","9.6431","0.0012","14.4883","0.0018","20.804","0.003","74.992","0.002","84.667","0.002","71.815","0.002","2667","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(18-Crown-6)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate","(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate","","- C55 H77 K O9 P V -","- C55.004 H77.008 K O9.001 P V -","- C110.008 H154.016 K2 O18.002 P2 V2 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0849","0.0537","","","0.1068","0.1175","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022539","12.4421","0.0007","13.9771","0.0008","15.1934","0.0009","97.35","0.001","93.436","0.001","101.178","0.001","2561","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(1,2-dimethoxyethane)potassium bis(η^4^-anthracene)[1,2-bis(dimethylphosphanyl)ethane]vanadium","","- C50 H76 K O8 P2 V -","- C50 H76 K O8 P2 V -","- C100 H152 K2 O16 P4 V2 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0523","0.0344","","","0.0826","0.0932","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022540","10.9951","0.0016","12.0777","0.0018","13.502","0.002","78.594","0.003","68.517","0.003","78.738","0.003","1620.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(μ~3~-η^6^:η^6^:η^6^-Anthracene)(μ~2~-η^6^:η^6^-anthracene)tris(tetrahydrofuran)sodiumdivanadium","","- C40 H44 Na O3 V2 -","- C40 H44 Na O3 V2 -","- C80 H88 Na2 O6 V4 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0882","0.0438","","","0.099","0.1188","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:44",""
"2022541","22.27","0.02","22.27","0.02","22.27","0.02","90","","90","","90","","11045","17","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Poly[[bis(μ~3~-benzene-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(2-methylimidazol-1-yl)benzene]tricopper(II)] hexahydrate]","","- C54 H42 Cu3 N12 O12 -","- C54 H42 Cu3 N12 O12 -","- C432 H336 Cu24 N96 O96 -","8","0.166667","OV3157","Chen, Hui-Ru","Synthesis, crystal structure and photocatalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001322","","","0.71073","MoKα","","0.0648","0.0456","","","0.0814","0.0864","","","","","","0.975","","","","has coordinates","272900","2022-02-10","02:58:36",""
"2022542","5.3043","0.0004","11.1405","0.0008","22.6067","0.0018","90","","90","","90","","1335.89","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Furylimidazolo-2'-deoxycytidine","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","CU3177","Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank","8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001000","","","1.54178","CuKα","","0.0914","0.0527","","","0.1231","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","272901","2022-02-10","02:59:02",""
"2022543","8.697","0.004","9.203","0.004","15.916","0.006","75.369","0.008","82.049","0.008","89.151","0.008","1220.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","9,10,20,21-Tetrahydro-5,14-(ethanooxyethanooxyethano)dibenzo[<i>e</i>,<i>q</i>]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29,32-Hexaoxa-1,18-diazatetracyclo[16.8.8.0^2,7^.0^12,17^]tetratriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C26 H32 N2 O8 -","- C26 H32 N2 O8 -","- C52 H64 N4 O16 -","2","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.073","0.0554","","","0.1429","0.1551","","","","","","1.025","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:48",""
"2022544","16.208","0.008","14.849","0.008","18.052","0.009","90","","90","","90","","4345","4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9,10,20,21-Tetrahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29-Pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C192 H224 N16 O56 -","8","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0837","0.0583","","","0.142","0.1726","","","","","","1.033","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022545","7.6238","0.0007","23.318","0.002","12.655","0.0012","90","","100.677","0.0014","90","","2210.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6,7,9,10,12,13,20,21-Octahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-23,27-dione","8,11,21,24,29-pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12,14,16-hexaene-27,31-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","2","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0412","0.037","","","0.0868","0.0891","","","","","","1.004","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022546","10.1813","0.0006","10.2237","0.0006","15.0154","0.0009","73.446","0.002","82.398","0.002","61.781","0.002","1320.11","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis[4,7-bis(cyanomethyl)-1-thia-4,7-diazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]silver(I) tetrafluoridoborate","","- C20 H32 Ag B F4 N8 S2 -","- C20 H32 Ag B F4 N8 S2 -","- C40 H64 Ag2 B2 F8 N16 S4 -","2","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.027","0.0231","","","0.0609","0.0624","","","","","","1.067","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:02",""
"2022547","8.4426","0.0006","8.5739","0.0006","11.8497","0.0008","96.585","0.001","99.023","0.001","95.313","0.001","836.19","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[4,7-Bis(2-cyanoethyl)-1-thia-4,7-diazacyclononane-\ κ^3^<i>N</i>,<i>N</i>',<i>S</i>](thiocyanato-κ<i>S</i>)silver(I)","","- C13 H20 Ag N5 S2 -","- C13 H20 Ag N5 S2 -","- C26 H40 Ag2 N10 S4 -","2","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.0228","0.0208","","","0.0546","0.0554","","","","","","1.055","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:03",""
"2022548","28.537","0.003","8.4362","0.0011","27.216","0.003","90","","119.94","0.009","90","","5677.7","1.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","μ-Thiocyanato-κ^2^<i>S</i>:<i>S</i>-bis{[7-(2-cyanoethyl)-1,4-dithia-7-azacyclononane-κ^3^<i>N</i>,<i>S</i>,<i>S</i>']silver(I)} tetrafluoridoborate","","- C19 H32 Ag2 B F4 N5 S5 -","- C19 H32 Ag2 B F4 N5 S5 -","- C152 H256 Ag16 B8 F32 N40 S40 -","8","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.0506","0.036","","","0.0661","0.0751","","","","","","1.145","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:03",""
"2022566","11.039","0.0004","6.7554","0.0002","15.6951","0.0004","90","","91.905","0.001","90","","1169.78","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Coumarin-3-carboxylic acid–thiourea (1/1)","2-Oxochromene-3-carboxylic acid–thiourea (1/1)","","- C11 H10 N2 O4 S -","- C11 H10 N2 O4 S -","- C44 H40 N8 O16 S4 -","4","1","OV3156","Shahbaz, Muhammad; Khan, Umair Ahmed; Chaudhary, M. Iqbal; Yousuf, Sammer","A new bioactive cocrystal of coumarin-3-carboxylic acid and thiourea: detailed structural features and biological activity studies","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200081X","","","1.54178","CuKα","","0.0447","0.0373","","","0.0962","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","273002","2022-02-17","03:00:00",""
"2022567","9.2801","0.0006","15.433","0.0009","17.1702","0.0011","90","","95.116","0.006","90","","2449.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Etravirine dimethyl sulfoxide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethyl sulfoxide monosolvate","","- C22 H21 Br N6 O2 S -","- C22 H21 Br N6 O2 S -","- C88 H84 Br4 N24 O8 S4 -","4","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0807","0.0657","","","0.1838","0.2136","","","","","","1.041","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:11",""
"2022568","8.6953","0.0005","9.3336","0.0008","15.1494","0.0011","96.181","0.006","102.323","0.006","95.632","0.006","1184.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Etravirine dimethyl sulfoxide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethyl sulfoxide monosolvate","","- C22 H21 Br N6 O2 S -","- C22 H21 Br N6 O2 S -","- C44 H42 Br2 N12 O4 S2 -","2","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0753","0.0689","","","0.1919","0.2101","","","","","","1.072","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022569","8.8344","0.0004","11.2114","0.0007","13.3205","0.0008","100.065","0.005","98.949","0.004","96.828","0.004","1268.67","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Etravirine dimethylacetamide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethylacetamide monosolvate","","- C24 H24 Br N7 O2 -","- C24 H24 Br N7 O2 -","- C48 H48 Br2 N14 O4 -","2","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0625","0.0514","","","0.1396","0.1552","","","","","","1.035","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022570","8.7721","0.0001","22.3659","0.0004","23.6458","0.0006","90","","93.364","0.002","90","","4631.22","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Etravirine 1,4-dioxane 0.75-solvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile 1,4-dioxane 0.75-solvate","","- C23 H21 Br N6 O2.5 -","- C23 H21 Br N6 O2.5 -","- C184 H168 Br8 N48 O20 -","8","2","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0808","0.0548","","","0.1191","0.1321","","","","","","1.043","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022571","15.5664","0.0006","15.3769","0.0007","18.4445","0.0008","90","","109.359","0.004","90","","4165.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Etravirinium oxalate","6-Amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate","","- C21 H16 Br N6 O3 -","- C21 H16 Br N6 O3 -","- C168 H128 Br8 N48 O24 -","8","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","x-ray","0.71073","MoKα","","0.0721","0.0426","","","0.1177","0.139","","","","","","0.876","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:13",""
"2022572","13.8013","0.0008","14.5077","0.0008","17.1208","0.001","90","","90","","90","","3428","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[triaqua(μ~4~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^7^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^,<i>O</i>^4''^)(μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4^)dicadmium(II)] dihydrate]","","- C28 H38 Cd2 N4 O17 -","- C28 H38 Cd2 N4 O17 -","- C112 H152 Cd8 N16 O68 -","4","1","LF3123","Zhang, Hong-Tao; Wang, Xiao-Long","A new three-dimensional twofold interpenetrated cadmium(II) metal–organic framework: synthesis, structure and photoluminescence properties","Acta Crystallographica Section C","2021","77","11","691","697","10.1107/S2053229621010524","","","0.71073","MoKα","","0.0213","0.0198","","","0.047","0.0477","","","","","","1.036","","","","has coordinates,has Fobs","273080","2022-02-22","02:57:30",""
"2022573","12.4158","0.0006","12.7108","0.0009","18.3698","0.0007","90","","90","","90","","2899","0.3","240","","240","","","","","","","","","5","P n m a","-P 2ac 2n","62","Dicalcium barium hexakis(propanoate)","Poly[hexa-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30 Ba Ca2 O12 -","- C72 H120 Ba4 Ca8 O48 -","4","0.5","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.0748","0.0772","","","","2.35","2.35","2.22","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022574","12.3585","0.0006","12.6","0.0006","18.0846","0.0008","90","","90","","90","","2816.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Barium dicalcium hexakis(propanoate)","Poly[hexakis-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30.0012 Ba Ca2 O12 -","- C72 H120.005 Ba4 Ca8 O48 -","4","1","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0314","0.0277","","","0.0603","0.0612","","","","1.69","1.69","1.65","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022575","9.244","0.004","10.465","0.005","10.998","0.005","93.969","0.005","97.973","0.005","94.312","0.005","1047.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Ferrocene-1,1'-diyl)bis(bis{2-[(dimethylamino)methyl]phenyl}phosphine selenide)","","- C46 H56 Fe N4 P2 Se2 -","- C46 H56 Fe N4 P2 Se2 -","- C46 H56 Fe N4 P2 Se2 -","1","0.5","ZO3012","Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~]","Acta Crystallographica Section C","2021","77","11","725","733","10.1107/S205322962101072X","","","0.71073","MoKα","","0.0641","0.0576","","","0.1627","0.17","","","","","","1.047","","","","has coordinates,has Fobs","273082","2022-02-22","02:59:27",""
"2022576","10.115","0.0013","10.7515","0.0014","26.637","0.003","96.791","0.002","91.486","0.002","116.491","0.002","2564.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[μ-1,1'-Bis(bis{2-[(dimethylamino)methyl]phenyl}phosphanyl)ferrocene-κ^2^<i>N</i>,<i>P</i>:κ^2^<i>N</i>',<i>P</i>']bis[dichloridozinc(II)] dichloromethane monosolvate","","- C47 H58 Cl6 Fe N4 P2 Zn2 -","- C47 H58 Cl6 Fe N4 P2 Zn2 -","- C94 H116 Cl12 Fe2 N8 P4 Zn4 -","2","1","ZO3012","Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~]","Acta Crystallographica Section C","2021","77","11","725","733","10.1107/S205322962101072X","","","0.71073","MoKα","","0.0671","0.0548","","","0.1203","0.1277","","","","","","1.032","","","","has coordinates,has Fobs","273082","2022-02-22","02:59:27",""
"2022577","7.86","0.0016","16.233","0.0009","23.103","0.002","90","","90","","90","","2947.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound (I)","<i>catena</i>-Poly[[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,3-bis(benzoyloxy)butanedioato-κ^2^<i>O</i>^2^:<i>O</i>^3^] dihydrate]","","- C28 H28 Mn N2 O12 -","- C28 H28 Mn N2 O12 -","- C112 H112 Mn4 N8 O48 -","4","1","QF3051","Jiao, Yuan; Jin, Fu-Ning; Feng, Si-Si; Wang, Ai; Englert, Ulli","Synthesis, crystal structure and magnetic properties of a one-dimensional Mn^2+^ complex constructed from (+)-dibenzoyltartaric acid and 2,2'-bipyridine","Acta Crystallographica Section C","2021","77","11","707","712","10.1107/S2053229621010627","","","0.75","synchrotron","","0.0442","0.0424","","","0.1098","0.1113","","","","","","1.038","","","","has coordinates,has Fobs","273084","2022-02-22","03:00:40",""
"2022578","14.438","0.003","8.555","0.002","21.315","0.004","90","","90","","90","","2632.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[μ~2~-4,4'-bis(2-methylimidazol-1-yl)-[1,1'-biphenyl]](μ~2~-5-methylisophthalato)cadmium(II)]","","- C29 H24 Cd N4 O4 -","- C29 H24 Cd N4 O4 -","- C116 H96 Cd4 N16 O16 -","4","1","QF3049","Chen, Hui-Ru","A cadmium(II) coordination polymer with a fivefold interpenetrating diamondoid three-dimensional framework: synthesis, crystal structure, luminescence and photocatalytic properties","Acta Crystallographica Section C","2021","77","11","734","739","10.1107/S2053229621010639","","","0.71075","MoKα","","0.0401","0.0294","","","0.0572","0.0601","","","","","","1.054","","","","has coordinates,has Fobs","273085","2022-02-22","03:01:13",""
"2022580","8.606","0.005","12.153","0.008","13.562","0.008","77.48","0.012","74.393","0.012","72.198","0.012","1286.6","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(III) pentahydrate","","- C12 H34 Co2 N6 O17 -","- C12 H24 Co2 N6 O17 -","- C24 H48 Co4 N12 O34 -","2","1","EP3021","Gallagher, Megan K.; Baker, Jonathan; Black, Robert; Oliver, Allen G.; Lappin, A. Graham","An X-ray investigation of stereoselectivity in the interactions of [Co(en)3]3+ with [Co(ox)3]3− (en is ethane-1,2-diamine and ox is oxalate)","Acta Crystallographica Section C Structural Chemistry","2022","78","4","","","10.1107/S2053229622002194","","","0.71073","MoKα","","0.1427","0.0876","","","0.2098","0.2363","","","","","","1.028","","","","has coordinates,has Fobs","273446","2022-03-05","02:49:04",""
"2022581","11.0968","0.0005","12.8319","0.0006","13.3134","0.0006","111.703","0.002","108.028","0.002","93.125","0.002","1643.97","0.14","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","Hexakis(μ~2~-2-anilinobenzoato)diaquatrizinc(II)","","- C78 H64 N6 O14 Zn3 -","- C78 H64 N6 O14 Zn3 -","- C78 H64 N6 O14 Zn3 -","1","0.5","DV3015","Mbani O., Armel L.; Bonnand, Evan F.; Paboudam, Awawou G.; Brannon, Jacob P.; Gardner-Ricossa, Kevyn D.; Stieber, S. Chantal E.; Agwara, Moise O.","Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc complex with <i>N</i>-phenylanthranilic acid ligands","Acta Crystallographica Section C","2022","78","4","","","10.1107/S205322962200239X","","x-ray","0.71073","MoKα","","0.0389","0.0296","","","0.072","0.0776","","","","","","1.03","","","","has coordinates,has Fobs","273551","2022-03-09","02:49:12",""
"2022582","9.94703","0.00014","17.8262","0.0002","14.31","0.0002","90","","92.0063","0.0014","90","","2535.86","0.06","99.3","0.2","99.3","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan methanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate methanol monosolvate","","- C25 H30 N6 O4 -","- C25 H30 N6 O4 -","- C100 H120 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0556","0.0536","","","0.147","0.1489","","","","","","1.049","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:06",""
"2022583","9.7816","0.0003","18.3758","0.0005","14.1998","0.0004","90","","91.029","0.003","90","","2551.93","0.13","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan ethanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate ethanol monosolvate","","- C26 H32 N6 O4 -","- C26 H32 N6 O4 -","- C104 H128 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0634","0.0575","","","0.1586","0.164","","","","","","1.096","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022584","9.76826","0.00015","18.481","0.0003","14.42279","0.00019","90","","90.7205","0.0013","90","","2603.5","0.07","101.6","0.14","101.6","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan isopropanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate isopropanol monosolvate","","- C27 H34 N6 O4 -","- C27 H34 N6 O4 -","- C108 H136 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0464","0.0425","","","0.1109","0.1141","","","","","","1.024","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022585","9.77352","0.00014","19.3316","0.0003","14.3425","0.00017","90","","90.3045","0.0011","90","","2709.8","0.07","100.8","0.3","100.8","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan isobutanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate isobutanol monosolvate","","- C28 H36 N6 O4 -","- C28 H36 N6 O4 -","- C112 H144 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0467","0.0395","","","0.1024","0.1077","","","","","","1.034","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022586","10.25267","0.0001","19.21448","0.00019","14.29015","0.00017","90","","90.1353","0.001","90","","2815.15","0.05","101.5","0.3","101.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan 2-ethoxyethanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate 2-ethoxyethanol monosolvate","","- C28 H36 N6 O5 -","- C28 H36 N6 O5 -","- C112 H144 N24 O20 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0484","0.0448","","","0.1218","0.1248","","","","","","1.082","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022587","10.0422","0.0002","18.3553","0.0004","14.4134","0.0003","90","","91.5895","0.0017","90","","2655.77","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olmesartan chloroform monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate chloroform monosolvate","","- C25 H27 Cl3 N6 O3 -","- C25 H27 Cl3 N6 O3 -","- C100 H108 Cl12 N24 O12 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0702","0.0675","","","0.1845","0.1871","","","","","","1.066","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022588","9.92522","0.00007","17.86566","0.00012","14.34306","0.0001","90","","91.437","0.0006","90","","2542.52","0.03","109.9","0.2","109.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan acetonitrile monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate acetonitrile monosolvate","","- C26 H29 N7 O3 -","- C26 H29 N7 O3 -","- C104 H116 N28 O12 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0528","0.0503","","","0.1307","0.1328","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","274017","2022-03-26","02:51:07",""
"2022589","26.461","0.0003","21.2115","0.0003","9.2552","0.0001","90","","90.044","0.001","90","","5194.73","0.11","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","15,16-Dibutyl-14,17-didodecyldithieno[2'',3'':2',3']indolo[6',7':4,5]pyrrolo[3,2-<i>e</i>:2',3'-<i>g</i>][2,1,3]benzothiadiazole","","- C58 H76 N6 S3 -","- C58 H76 N6 S3 -","- C232 H304 N24 S12 -","4","1","YP3223","Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang","Synthesis and properties of a novel decacyclic <i>S</i>,<i>N</i>-heteroacene","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622003291","","","1.54184","CuKα","","0.0496","0.0439","","","0.113","0.1167","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","274057","2022-03-29","01:42:25",""
"2022590","4.9935","0.0001","7.1864","0.0002","33.3673","0.0007","90","","90","","90","","1197.4","0.05","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-Asaronol, (<i>E</i>)-3'-hydroxyasarone","(<i>E</i>)-3-(2,4,5-Trimethoxyphenyl)prop-2-en-1-ol","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","DV3013","Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui","Synthesis, crystal structure and bioactivities of α-asaronol","Acta Crystallographica Section C Structural Chemistry","2022","78","5","","","10.1107/S2053229622003631","","x-ray","1.54178","CuKα","","0.0367","0.0363","","","0.1052","0.1057","","","","","","1.04","","","","has coordinates,has Fobs","274368","2022-04-06","02:03:56",""
"2022591","9.449","0.0007","9.449","0.0007","6.908","0.001","90","","90","","120","","534.14","0.1","298","","298","","","","","","","","","3","P 1","P 1","1","","","","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","1","1","CU3180","Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D.","Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003400","powder diffraction","","0.161669","Synchrotron","","","","","","","","","","0.194291","","","","","","","has coordinates","274369","2022-04-06","02:04:15",""
"2022592","10.0118","0.0008","11.8026","0.0008","13.6496","0.0008","65.234","0.006","73.354","0.006","78.437","0.006","1397.18","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2,7-Dihydroxynaphthalene–isoniazid (1/1)","Naphthalene-2,7-diol; pyridine-4-carbohydrazide","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","2","KY3216","González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor","Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003734","","","0.71073","MoKα","","0.0464","0.038","","","0.1067","0.1137","","","","","","1.003","","","","has coordinates","274468","2022-04-12","02:17:58",""
"2022593","13.6888","0.0008","11.037","0.0006","9.6269","0.0005","90","","90","","90","","1454.46","0.14","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,7-Dihydroxynaphthalene–piracetam (1/1)","Naphthalene-2,7-diol; 2-(2-oxopyrrolidin-1-yl)acetamide","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","KY3216","González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor","Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003734","","","0.71073","MoKα","","0.0443","0.0358","","","0.0756","0.0816","","","","","","1.07","","","","has coordinates","274468","2022-04-12","02:17:59",""
"2022594","5.13","0.0001","8.6729","0.0002","6.8473","0.0002","90","","97.104","0.003","90","","302.311","0.013","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium copper nickel phosphate","Sodium copper nickel diorthophosphate","","- Cu Na2 Ni O8 P2 -","- Cu Na2 Ni O8 P2 -","- Cu2 Na4 Ni2 O16 P4 -","2","0.5","OV3158","Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.","Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003692","","","0.71073","MoKα","","0.0303","0.024","","","0.0607","0.0649","","","","","","1.13","","","","has coordinates,has Fobs","274469","2022-04-12","02:18:36",""
"2022595","4.8292","0.0005","5.4051","0.0005","6.5968","0.0006","72.716","0.008","86.579","0.008","69.064","0.009","153.35","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Manganese copper phosphate","Dimanganese copper diorthophosphate","","- Cu Mn2 O8 P2 -","- Cu Mn2 O8 P2 -","- Cu Mn2 O8 P2 -","1","0.5","OV3158","Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.","Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003692","","","0.71073","MoKα","","0.0409","0.0316","","","0.062","0.0675","","","","","","1.138","","","","has coordinates,has Fobs","274469","2022-04-12","02:18:37",""
"2022596","54.272","0.01","38.896","0.007","31.734","0.006","90","","112.145","0.004","90","","62048","2","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H588 Ce6 Mo124 N4 Na4 O664 -","- C24 H16 Ce6 Mo124 N4 Na4 O501 -","- C96 H64 Ce24 Mo496 N16 Na16 O2004 -","4","0.5","KY3215","Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette","Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003369","","x-ray","0.71073","MoKα","","0.1184","0.0832","","","0.2004","0.2335","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","274620","2022-04-21","01:52:17",""
"2022597","5.9097","0.0001","7.7974","0.0002","11.7206","0.0003","90","","97.816","0.001","90","","535.07","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[triaqua(μ~4~-<i>L</i>-tartrato)cerium(III)] chloride]","","- C4 H10 Ce Cl O9 -","- C4 H10 Ce Cl O9 -","- C8 H20 Ce2 Cl2 O18 -","2","1","WP3026","Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine","A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties","Acta Crystallographica Section C","2022","78","5","314","321","10.1107/S2053229622004302","","x-ray","0.71073","MoKα","","0.0195","0.0189","","","0.0425","0.0428","","","","","","1.044","","","","has coordinates","274713","2022-04-27","01:43:09",""
"2022600","10.8897","0.0007","10.6951","0.0008","9.0496","0.0006","90","","108.059","0.002","90","","1002.05","0.12","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Chlorolactic acid","3-Chloro-2-hydroxypropanoic acid","","- C3 H5 Cl O3 -","- C3 H5 Cl O3 -","- C24 H40 Cl8 O24 -","8","2","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0674","0.0376","","","0.075","0.0859","","","","","","1.004","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:34",""
"2022601","11.3076","0.0004","10.8912","0.0003","9.0769","0.0003","90","","106.673","0.001","90","","1070.85","0.06","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromolactic acid","3-Bromo-2-hydroxypropanoic acid","","- C3 H5 Br O3 -","- C3 H5 Br O3 -","- C24 H40 Br8 O24 -","8","2","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0479","0.0394","","","0.1115","0.118","","","","","","1.034","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:35",""
"2022602","11.4762","0.0008","5.437","0.0004","9.1941","0.0007","90","","92.848","0.003","90","","572.97","0.07","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Iodolactic acid","2-Hydroxy-3-iodopropanoic acid","","- C3 H5 I O3 -","- C3 H5 I O3 -","- C12 H20 I4 O12 -","4","1","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0337","0.0246","","","0.054","0.0573","","","","","","1.095","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:35",""
"2022603","8.77","0.002","11.658","0.003","23.843","0.006","90","","90","","90","","2437.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 1 (s21_30)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium chloride","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C88 H136 Cl8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0565","0.0419","","","0.1024","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:25",""
"2022604","8.859","0.004","12.038","0.005","23.805","0.01","90","","90","","90","","2538.7","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 2 (s20_37)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C88 H136 Br8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0574","0.0367","","","0.0877","0.0993","","","","","","1.035","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:26",""
"2022605","12.9151","0.0002","11.3061","0.0002","12.5239","0.0002","90","","90.6281","0.0005","90","","1828.62","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 3 (disordered, s21_32)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–water (2/1/2)","","- C14 H19 Br F2 I N2 O3 -","- C14 H19 Br F2 I N2 O3 -","- C56 H76 Br4 F8 I4 N8 O12 -","4","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0622","0.042","","","0.0841","0.0927","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","275287","2022-05-10","01:38:29",""
"2022606","6.9163","0.0004","12.5609","0.0008","19.9264","0.0012","90","","90","","90","","1731.11","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,9,14,18-Tetramethyl-1,4,10,13-tetraazacyclooctadeca-5,8,14,17-tetraene-7,16-dione","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C72 H112 N16 O8 -","4","0.5","DG3026","Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G.","Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004582","","","0.71073","MoKα","","0.04","0.0347","","","0.0899","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","275474","2022-05-17","01:43:02",""
"2022607","7.1902","0.0005","18.5341","0.0008","14.2507","0.0007","90","","102.814","0.006","90","","1851.81","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole","","- C18 H14 Cl4 N2 O -","- C18 H14 Cl4 N2 O -","- C72 H56 Cl16 N8 O4 -","4","1","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.1071","0.0475","","","0.1162","0.1384","","","","","","0.883","","","","has coordinates,has Fobs","275475","2022-05-17","01:43:59",""
"2022608","8.0766","0.0002","11.5926","0.0003","13.0383","0.0004","115.423","0.003","99.068","0.002","94.776","0.002","1073.06","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole ethanol monosolvate","","- C20 H20 Cl4 N2 O2 -","- C20 H20 Cl4 N2 O2 -","- C40 H40 Cl8 N4 O4 -","2","1","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.0522","0.0362","","","0.091","0.0971","","","","","","1.04","","","","has coordinates,has Fobs","275475","2022-05-17","01:44:00",""
"2022609","8.063","0.0003","33.261","0.0016","16.5481","0.0007","90","","117.864","0.003","90","","3923.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole hemihydrate","","- C18 H15 Cl4 N2 O1.5 -","- C18 H15 Cl4 N2 O1.5 -","- C144 H120 Cl32 N16 O12 -","8","2","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.0784","0.0448","","","0.0965","0.1077","","","","","","1.028","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022610","9.9301","0.0011","10.1686","0.001","12.7882","0.0014","80.948","0.003","71.899","0.003","88.682","0.003","1211.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(triphenylphosphane-κ<i>P</i>)(tropolonato-κ^2^<i>O</i>,<i>O</i>')rhenium(I)","","- C28 H20 O5 P Re -","- C28 H20 O5 P Re -","- C56 H40 O10 P2 Re2 -","2","1","OC3014","Schutte-Smith, Marietjie; Visser, Hendrik Gideon","Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]","Acta Crystallographica Section C","2022","78","6","","","10.1107/S205322962200465X","","","0.71073","MoKα","","0.0152","0.0149","","","0.0376","0.0378","","","","","","1.076","","","","has coordinates,has Fobs","275501","2022-05-18","01:31:55",""
"2022611","8.5413","0.0012","8.7024","0.0013","20.376","0.003","102.221","0.005","93.891","0.005","109.093","0.005","1383.3","0.4","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(3,5,7-tribromotropolonato-κ^2^<i>O</i>,<i>O</i>')(triphenylphosphane-κ<i>P</i>)rhenium(I)","","- C28 H17 Br3 O5 P Re -","- C28 H17 Br3 O5 P Re -","- C56 H34 Br6 O10 P2 Re2 -","2","1","OC3014","Schutte-Smith, Marietjie; Visser, Hendrik Gideon","Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]","Acta Crystallographica Section C","2022","78","6","","","10.1107/S205322962200465X","","","0.71073","MoKα","","0.0394","0.0288","","","0.0571","0.0618","","","","","","1.063","","","","has coordinates,has Fobs","275501","2022-05-18","01:31:56",""
"2022612","14.987","0.003","10.835","0.002","15.997","0.003","90","","100.49","0.03","90","","2554.2","0.9","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-2-methylenepropane-1,3-diyl dinicotinate-κ^2^<i>N</i>:<i>N</i>'] chloroform monosolvate","","- C18 H15 Ag Cl3 F3 N2 O7 S -","- C18 H15 Ag Cl3 F3 N2 O7 S -","- C72 H60 Ag4 Cl12 F12 N8 O28 S4 -","4","1","JX3070","Jo, Seong Min; Noh, Tae Hwan","Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004818","","","0.71073","MoKα","","0.0482","0.0432","","","0.1183","0.124","","","","","","1.035","","","","has coordinates,has Fobs","275569","2022-05-20","01:39:54",""
"2022613","8.4347","0.0003","15.5581","0.0006","14.9879","0.0006","90","","100.31","0.001","90","","1935.07","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-2-methylenepropane-1,3-diyl dinicotinate-κ^2^<i>N</i>:<i>N</i>']","","- C17 H14 Ag F3 N2 O7 S -","- C17 H14 Ag F3 N2 O7 S -","- C68 H56 Ag4 F12 N8 O28 S4 -","4","1","JX3070","Jo, Seong Min; Noh, Tae Hwan","Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004818","","","0.71073","MoKα","","0.0328","0.03","","","0.0762","0.0803","","","","","","1.052","","","","has coordinates,has Fobs","275569","2022-05-20","01:39:57",""
"2022614","10.5989","0.0001","10.5989","0.0001","28.4478","0.0002","90","","90","","120","","2767.58","0.04","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Turinabol hemihydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one hemihydrate","","- C20 H28 Cl O2.5 -","- C20 H28 Cl O2.5 -","- C120 H168 Cl6 O15 -","6","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0823","0.0832","","","","","","1.073","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:36",""
"2022615","10.8409","0.0003","10.225","0.0002","16.4751","0.0005","90","","93.759","0.002","90","","1822.31","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turinabol","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","2","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1284","0.1357","","","","","","1.084","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:47",""
"2022616","10.70311","0.0001","10.70311","0.0001","68.7275","0.0008","90","","90","","90","","7873.19","0.14","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Turinabol acetic acid solvate hydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one acetic acid hemisolvate hemihydrate","","- C42 H60 Cl2 O7 -","- C42 H60 Cl2 O7 -","- C336 H480 Cl16 O56 -","8","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","","1.54184","CuKα","","0.0451","0.0417","","","0.0959","0.0978","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","275878","2022-06-07","13:20:50",""
"2022617","10.3088","0.0003","12.9337","0.0003","29.6661","0.0007","90","","90","","90","","3955.41","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Turinabol_2,2,2_trifluoroethanol_solvate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one 2,2,2_trifluoroethanol hemisolvate","","- C42 H57 Cl2 F3 O5 -","- C42 H57 Cl2 F3 O5 -","- C168 H228 Cl8 F12 O20 -","4","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.061","0.0471","","","0.114","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:55",""
"2022618","9.0957","0.0003","17.4571","0.0004","11.5422","0.0003","90","","95.107","0.003","90","","1825.45","0.09","293.54","0.1","293.54","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetra-μ~2~-acetato-bis(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraholmium(III)] pentahydrate]","","- C56 H70 Ho4 N4 O33 -","- C56 H70 Ho4 N4 O33 -","- C56 H70 Ho4 N4 O33 -","1","0.25","OC3015","Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian","Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005678","","x-ray","0.71073","MoKα","","0.038","0.0318","","","0.0777","0.0816","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","275901","2022-06-08","02:12:01",""
"2022619","9.3197","0.0004","17.6285","0.0006","11.2707","0.0004","90","","94.131","0.004","90","","1846.88","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetra-μ~2~-acetato-bis(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] dimethylacetamide disolvate dihydrate]","","- C64 H82 Eu4 N6 O32 -","- C64 H82 Eu4 N6 O32 -","- C64 H82 Eu4 N6 O32 -","1","0.25","OC3015","Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian","Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005678","","","0.71073","MoKα","","0.0694","0.0469","","","0.0944","0.1045","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","275901","2022-06-08","02:12:02",""
"2022620","7.2057","0.0003","11.0792","0.0004","41.2346","0.0016","90","","90","","90","","3291.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazine 2'-deoxyribonucleoside","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","2","CU3182","Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005964","","","0.71073","MoKα","","0.063","0.0453","","","0.0893","0.0962","","","","","","1.072","","","","has coordinates,has Fobs","276016","2022-06-14","01:54:22",""
"2022621","4.9916","0.0005","10.8497","0.0012","10.0075","0.001","90","","98.411","0.003","90","","536.15","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>-(Thiophen-2-ylmethyl)thiophene-2-carboxamide","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C20 H18 N2 O2 S4 -","2","1","EF3029","Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt","Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006283","","","0.71073","MoKα","","0.0545","0.0468","","","0.1137","0.1192","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","276217","2022-06-24","02:10:05",""
"2022622","9.4539","0.0006","29.9892","0.0015","13.1934","0.001","90","","106.454","0.007","90","","3587.3","0.4","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Aminotetrazole–3,5-dihydroxybenzoic acid–water (1/4/6)","","- C29 H39 N5 O22 -","- C29 H39 N5 O22 -","- C116 H156 N20 O88 -","4","1","ZO3022","Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford","Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006519","","x-ray","0.71073","MoKα","","0.17","0.0664","","","0.1179","0.1519","","","","","","0.976","","","","has coordinates,has Fobs","276306","2022-06-28","01:47:50",""
"2022623","6.2591","0.0003","11.1312","0.0005","17.2257","0.0009","90","","98.646","0.005","90","","1186.5","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Aminotetrazolium 3,5-dinitrosalicylate","","- C8 H7 N7 O7 -","- C8 H7 N7 O7 -","- C32 H28 N28 O28 -","4","1","ZO3022","Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford","Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006519","","x-ray","1.54184","CuKα","","0.0443","0.0409","","","0.1124","0.1142","","","","","","1.042","","","","has coordinates,has Fobs","276306","2022-06-28","01:47:51",""
"2022624","23.7648","0.0005","8.5785","0.0002","6.9373","0.0002","90","","90","","90","","1414.28","0.06","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Carboxy-2-(pyrazin-2-yl)quinolin-1-ium chloride dihydrate","","- C14 H14 Cl N3 O4 -","- C14 H14 Cl N3 O4 -","- C56 H56 Cl4 N12 O16 -","4","1","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.5418","CuKα","","0.0297","0.0266","","","0.0615","0.0639","","","","","","1.044","","","","has coordinates,has Fobs","276307","2022-06-28","01:48:48",""
"2022625","21.9637","0.0008","12.4106","0.0003","11.5844","0.0004","90","","90","","90","","3157.71","0.18","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Poly[[diaquabis[μ~4~-2-(pyrazin-2-yl)quinoline-4-carboxylato]dicopper(I)copper(II)] bis(tetrafluoridoborate)]","","- C28 H20 B2 Cu3 F8 N6 O6 -","- C28 H20 B2 Cu3 F8.006 N6 O6 -","- C112 H80 B8 Cu12 F32.024 N24 O24 -","4","0.5","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.54178","CuKα","","0.0357","0.0316","","","0.084","0.088","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","276307","2022-06-28","01:48:49",""
"2022626","9.4503","0.0008","12.7805","0.0011","10.9605","0.0009","90","","100.687","0.001","90","","1300.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Diethynylpyridine–<i>N</i>-iodosuccinimide (1/1)","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0292","0.0254","","","0.0529","0.0551","","","","","","1.052","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:51",""
"2022627","10.4088","0.0009","5.32","0.0004","23.5462","0.0019","90","","91.606","0.001","90","","1303.35","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diethynylpyridine–<i>N</i>-iodosuccinimide (1/1)","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0308","0.0219","","","0.0441","0.0463","","","","","","1.017","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:52",""
"2022628","10.2264","0.0009","5.3123","0.0005","23.281","0.002","90","","92.048","0.001","90","","1263.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diethynylpyridine–<i>N</i>-bromosuccinimide (1/1)","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0326","0.025","","","0.0617","0.0641","","","","","","1.061","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:52",""
"2022645","7.7235","0.0007","9.4051","0.0007","10.5846","0.0009","112.585","0.003","102.828","0.004","92.852","0.003","684.36","0.1","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^]","","- C12 H12 Fe N8 -","- C12 H12 Fe N8 -","- C24 H24 Fe2 N16 -","2","1","DG3032","Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan","Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006908","","","0.71073","MoKα","","0.0782","0.0474","","","0.1037","0.1281","","","","","","1.141","","","","has coordinates,has Fobs","276891","2022-07-23","03:53:48",""
"2022646","7.4901","0.0002","18.3242","0.0005","10.6219","0.0003","90","","110.017","0.001","90","","1369.79","0.07","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^]","","- C12 H12 Fe N8 -","- C12 H12 Fe N8 -","- C48 H48 Fe4 N32 -","4","1","DG3032","Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan","Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006908","","","0.71073","MoKα","","0.0543","0.0331","","","0.077","0.0887","","","","","","1.066","","","","has coordinates,has Fobs","276891","2022-07-23","03:53:48",""
"2022647","8.7252","0.0004","7.7772","0.0004","10.7406","0.0005","90","","97.969","0.001","90","","721.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Creatininium bromide","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium bromide","","- C4 H8 Br N3 O -","- C4 H8 Br N3 O -","- C16 H32 Br4 N12 O4 -","4","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0289","0.0215","","","0.0464","0.0494","","","","","","1.063","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022648","7.9887","0.0004","6.6098","0.0003","11.4753","0.0006","90","","102.08","0.002","90","","592.52","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Creatininium 3-aminobenzoate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3-aminobenzoate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C22 H28 N8 O6 -","2","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0589","0.0458","","","0.1159","0.1264","","","","","","1.041","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022649","5.4175","0.0008","22.634","0.003","11.3668","0.0016","90","","98.696","0.003","90","","1377.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatininium 3,5-dinitrobenzoate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3,5-dinitrobenzoate","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C44 H44 N20 O28 -","4","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0877","0.0653","","","0.1786","0.1961","","","","","","1.028","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022650","5.781","0.002","12.717","0.002","14.655","0.003","67.751","0.018","78.78","0.03","82.94","0.02","976.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","4-Bromo-<i>N</i>-(5,6-diphenyl-2<i>H</i>-1,2,4-triazin-3-ylidene)benzenesulfonamide","","- C21 H15 Br N4 O2 S -","- C21 H15 Br N4 O2 S -","- C42 H30 Br2 N8 O4 S2 -","2","1","EF3031","Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew","Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives","Acta Crystallographica Section C Structural Chemistry","2022","78","9","","","10.1107/S2053229622007781","","x-ray","1.54184","CuKα","","0.1197","0.0792","","","0.2068","0.251","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","277166","2022-08-09","02:26:35",""
"2022651","10.919","0.002","8.0871","0.0016","24.875","0.005","90","","96.65","0.03","90","","2181.8","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfamoyl]methyl}benzoate","","- C24 H20 N4 O4 S -","- C24 H20 N4 O4 S -","- C96 H80 N16 O16 S4 -","4","1","EF3031","Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew","Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives","Acta Crystallographica Section C Structural Chemistry","2022","78","9","","","10.1107/S2053229622007781","","x-ray","1.54178","CuKα","","0.0878","0.0695","","","0.2072","0.2526","","","","","","1.18","","","","has coordinates,has Fobs","277166","2022-08-09","02:26:38",""
"2022652","16.8354","0.001","6.787","0.0004","10.1499","0.0006","90","","93.71","0.003","90","","1157.32","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium digermanium heptasulfide","","- Cd Ge2 Li4 S7 -","- Cd Ge2 Li4 S7 -","- Cd4 Ge8 Li16 S28 -","4","1","WP3029","Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A.","Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008014","","","0.71073","MoKα","","0.0104","0.0102","","","0.0239","0.0239","","","","","","1.076","","","","has coordinates,has Fobs","277355","2022-08-23","01:40:00",""
"2022653","6.7134","0.0005","15.9685","0.0011","13.3879","0.0008","90","","93.999","0.002","90","","1431.73","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","ZO3025","Çakmak, Şükriye; Aycan, Tuğba; Öztürk, Filiz; Veyisoğlu, Aysel","Design, synthesis and spectroscopic and structural characterization of novel <i>N</i>-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008257","","","0.71073","MoKα","","0.0845","0.0531","","","0.1316","0.157","","","","","","1.076","","","","has coordinates,has Fobs","277421","2022-08-27","02:30:33",""
"2022654","12.5769","0.0003","7.5529","0.0004","18.5933","0.0003","90","","99.863","0.002","90","","1740.11","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-4,4'-bis(2-methylimidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-2-(2-carboxylatophenyl)acetato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'':<i>O</i>'']dicadmium(II)],","","- C19 H15 Cd N2 O4 -","- C19 H15 Cd N2 O4 -","- C76 H60 Cd4 N8 O16 -","4","1","DG3033","Shen, Hong","A new two-dimensional cadmium(II) coordination polymer based on the asymmetric dicarboxylic acid homophthalic acid: synthesis, structure and properties","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008476","","","0.71073","MoKα","","0.0337","0.0249","","","0.0535","0.0579","","","","","","1.114","","","","has coordinates,has Fobs","277422","2022-08-27","02:31:08",""
"2022655","20.3512","0.0013","6.4815","0.0004","18.049","0.001","90","","100.452","0.003","90","","2341.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>SR</i>)-4,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) tetrachloridoferrate","","- C14 H32 Cl6 Fe2 N4 -","- C14 H32 Cl6 Fe2 N4 -","- C56 H128 Cl24 Fe8 N16 -","4","0.5","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","0.71073","MoKα","","0.0431","0.0271","","","0.0605","0.0669","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","277477","2022-08-31","01:49:23",""
"2022656","8.1632","0.0004","20.847","0.0012","12.1387","0.0007","90","","95.024","0.002","90","","2057.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>SR</i>)-4,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride methanol monosolvate","","- C15 H36 Cl3 Fe N4 O -","- C15 H36 Cl3 Fe N4 O -","- C60 H144 Cl12 Fe4 N16 O4 -","4","1","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","0.71073","MoKα","","0.0354","0.0243","","","0.0554","0.0608","","","","","","1.036","","","","has coordinates,has Fobs","277477","2022-08-31","01:49:27",""
"2022657","9.2912","0.0012","11.9579","0.0019","17.267","0.003","90","","90","","90","","1918.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>cis</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>SR</i>,14<i>RS</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride","","- C14 H32 Cl3 Fe N4 -","- C14 H32 Cl3 Fe N4 -","- C56 H128 Cl12 Fe4 N16 -","4","0.5","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","1.54178","CuKα","","0.0992","0.0655","","","0.1679","0.1961","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","277477","2022-08-31","01:49:27",""
"2022661","6.1202","0.0003","25.213","0.001","10.5669","0.0004","90","","106.403","0.002","90","","1564.2","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C15 H23 N3 O3 S -","- C15 H23 N3 O3 S -","- C60 H92 N12 O12 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.0799","0.049","","","0.1149","0.1288","","","","","","1.023","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:20",""
"2022662","8.504","0.003","12.229","0.005","15.834","0.006","102.194","0.008","91.589","0.007","95.875","0.008","1599","1.1","120","","120","","","","","","","","","5","P -1","-P 1","2","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C14 H21 N3 O4 S -","- C14 H21 N3 O4 S -","- C56 H84 N12 O16 S4 -","4","2","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.2316","0.0854","","","0.1204","0.1529","","","","","","1.014","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022663","8.2022","0.0005","6.3857","0.0004","34.166","0.002","90","","110.022","0.001","90","","1681.35","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate monohydrate","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate monohydrate","","- C14 H23 N3 O5 S -","- C14 H23 N3 O5 S -","- C56 H92 N12 O20 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.064","0.0505","","","0.0966","0.1014","","","","","","1.011","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022664","6.2286","0.0004","8.5209","0.0004","16.2157","0.0007","84.881","0.002","79.671","0.002","84.66","0.002","840.68","0.08","295","","295","","","","","","","","","5","P -1","-P 1","2","2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C14 H21 N3 O3 S2 -","- C14 H21 N3 O3 S2 -","- C28 H42 N6 O6 S4 -","2","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.1077","0.0965","","","0.2109","0.2184","","","","","","1.047","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022665","8.4423","0.0003","12.0126","0.0004","20.3063","0.0006","100.315","0.001","96.533","0.001","95.678","0.002","1997.85","0.11","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","2-Amino-8-phenyl-1,5,8-triazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-phenyl-1,5,8-triazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C20 H26 N4 O3 S -","- C20 H26 N4 O3 S -","- C80 H104 N16 O12 S4 -","4","2","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.0921","0.0525","","","0.1095","0.1281","","","","","","1.005","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022666","11.0524","0.0012","19.127","0.002","8.8414","0.001","90","","107.131","0.004","90","","1786.1","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(1<i>H</i>-Benzimidazol-1-yl)-<i>N</i>'-(tosyloxy)propanimidamide","3-(1<i>H</i>-1,3-benzimidazol-1-yl)-<i>N</i>'-{[(4-methylbenzene)sulfonyl]oxy}propanimidamide","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.073","0.0454","","","0.1024","0.1099","","","","","","1.038","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:24",""
"2022667","13.5921","0.0007","12.7103","0.0006","7.6215","0.0003","90","","103.133","0.002","90","","1282.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-4-(4-Fluorostyryl)-2-methylquinoline","(<i>E</i>)-4-[2-(4-Fluorophenyl)ethenyl]-2-methylquinoline","","- C18 H14 F N -","- C18 H14 F N -","- C72 H56 F4 N4 -","4","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0588","0.0417","","","0.0897","0.0996","","","","","","1.047","","","","has coordinates,has Fobs","277788","2022-09-13","01:49:56",""
"2022668","17.2696","0.001","10.8096","0.0007","16.1495","0.0008","90","","91.44","0.002","90","","3013.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(<i>E</i>)-2-Methyl-4-[4-(trifluoromethyl)styryl]quinoline","(<i>E</i>)-2-Methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline","","- C19 H14 F3 N -","- C19 H14 F3 N -","- C152 H112 F24 N8 -","8","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0671","0.0474","","","0.1092","0.1213","","","","","","1.034","","","","has coordinates,has Fobs","277788","2022-09-13","01:50:06",""
"2022669","30.5651","0.0015","3.8629","0.0002","25.5357","0.0013","90","","110.497","0.002","90","","2824.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(<i>E</i>)-4-(2,6-Dichlorostyryl)-2-methylquinoline","(<i>E</i>)-4-[2-(2,6-dichlorophenyl)ethenyl]-2-methylquinoline","","- C18 H13 Cl2 N -","- C18 H13 Cl2 N -","- C144 H104 Cl16 N8 -","8","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0349","0.0311","","","0.0762","0.0786","","","","","","1.067","","","","has coordinates,has Fobs","277788","2022-09-13","01:50:16",""
"2022670","6.72815","0.00004","11.24661","0.00006","15.51195","0.00008","90","","90","","90","","1173.77","0.011","99.8","0.4","99.8","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>S</i>,4<i>R</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0217","0.0217","","","0.0567","0.0567","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:54",""
"2022671","6.72595","0.00005","11.23408","0.00008","15.51954","0.00011","90","","90","","90","","1172.65","0.015","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>R</i>,4<i>S</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0587","0.0587","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:55",""
"2022672","6.8722","0.0002","11.0502","0.0003","11.209","0.0003","65.618","0.003","89.798","0.002","87.085","0.002","774.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one dimethylformamide monosolvate","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1223","0.1252","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","279111","2022-11-08","19:40:14",""
"2022673","17.4344","0.0003","13.08","0.0003","7.0192","0.0001","90","","92.315","0.001","90","","1599.37","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl [1-(2-ethoxy-2-oxoethoxy)-5-methyl-4-oxo-7-phenyl-3,4-dihydropyrido[3,4-<i>d</i>]pyridazin-3-yl]acetate","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.0593","0.05","","","0.1184","0.1232","","","","","","1.096","","","","has coordinates,has Fobs","279111","2022-11-08","19:40:15",""
"2022674","8.679","0.002","8.751","0.002","15.137","0.004","92.24","0.02","106.06","0.03","109.46","0.03","1030.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl [(5-methyl-4-oxo-7-phenyl-3,4-dihydropyrido[3,4-<i>d</i>]pyridazin-1-yl)oxy]acetate","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C44 H46 N6 O12 -","2","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.103","0.0627","","","0.1474","0.165","","","","","","0.984","","","","has coordinates,has Fobs","279111","2022-11-08","19:40:15",""
"2022675","4.181","0.0005","15.0336","0.0017","6.797","0.0008","90","","96.506","0.002","90","","424.48","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Diiodo-5-nitrobenzene","","- C6 H3 I2 N O2 -","- C6 H3 I2 N O2 -","- C12 H6 I4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0196","0.0191","","","0.0402","0.0404","","","","","","1.345","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022676","3.9721","0.0007","14.164","0.002","6.7971","0.0011","90","","96.486","0.002","90","","379.96","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dibromo-5-nitrobenzene","","- C6 H3 Br2 N O2 -","- C6 H3 Br2 N O2 -","- C12 H6 Br4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0355","0.0291","","","0.078","0.0812","","","","","","1.085","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022677","3.8115","0.0003","13.6452","0.0011","6.8976","0.0005","90","","94.632","0.001","90","","357.56","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dichloro-5-nitrobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0303","0.0275","","","0.0691","0.0705","","","","","","1.117","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022679","8.4728","0.0003","6.01563","0.00018","6.1537","0.0002","90","","90","","90","","313.649","0.018","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Diiridium trisulfide","","- Ir2 S3 -","- Ir2 S3 -","- Ir8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.0327","0.0174","","","0.0293","0.0318","","","","","","1.047","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:10",""
"2022680","8.4672","0.0003","5.98537","0.00018","6.13921","0.00019","90","","90","","90","","311.131","0.017","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Dirhodium trisulfide","","- Rh2 S3 -","- Rh2 S3 -","- Rh8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.021","0.0176","","","0.044","0.0451","","","","","","1.14","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:11",""
"2022681","7.4465","0.0004","8.0745","0.0005","23.16","0.0013","90","","94.31","0.002","90","","1388.6","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-[(3-Carboxyphenoxy)methyl]isophthalic acid","5-[(3-Carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","EF3033","An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi","Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009445","","","0.71073","MoKα","","0.1181","0.0628","","","0.1234","0.1466","","","","","","0.971","","","","has coordinates,has Fobs","278498","2022-10-08","01:46:07",""
"2022682","10.1105","0.0006","12.0603","0.0006","21.2013","0.0012","90","","103.067","0.0012","90","","2518.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]{μ~2~-5-[(3-carboxyphenoxy)methyl]isophthalato}cadmium(II)]","","- C28 H20 Cd N4 O7 -","- C28 H20 Cd N4 O7 -","- C112 H80 Cd4 N16 O28 -","4","1","EF3033","An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi","Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009445","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0614","","","","","","1.083","","","","has coordinates,has Fobs","278498","2022-10-08","01:46:08",""
"2022683","9.4726","0.0004","10.3","0.0005","15.3583","0.0007","73.378","0.002","88.382","0.002","86.4","0.002","1432.94","0.11","150","2","150","","","","","","","","","3","P 1","P 1","1","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<i>D</i>-mannitol","(1<i>R</i>,2<i>R</i>)-1,2-Bis[(<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-yn-1-yloxy)ethane","","- C18 H26 O6 -","- C18 H26 O6 -","- C54 H78 O18 -","3","3","OC3016","Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W.","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol: a study of multiple weak hydrogen bonds in the solid state","Acta Crystallographica Section C","2022","78","11","","","10.1107/S205322962200897X","","","0.71073","MoKα","","0.0264","0.0255","","","0.0643","0.065","","","","","","1.016","","","","has coordinates,has Fobs","278543","2022-10-12","02:03:47",""
"2022684","7.0903","0.0003","7.4318","0.0005","13.8071","0.0005","88.745","0.004","84.993","0.003","77.728","0.004","708.21","0.06","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis(1,2,3-tribromocyclopentadienyl)iron(II)","","- C10 H4.04 Br5.96 Fe -","- C10 H4.036 Br5.964 Fe -","- C20 H8.072 Br11.928 Fe2 -","2","1","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0622","0.0431","","","0.0832","0.0899","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","278580","2022-10-14","01:47:15",""
"2022685","6.9395","0.0002","7.0548","0.0002","8.9271","0.0003","67.577","0.001","76.16","0.001","86.461","0.001","392.06","0.02","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","Bis(1,2,3,4-tetrabromocyclopentadienyl)iron(II)","","- C10 H2 Br8 Fe -","- C10 H2 Br8 Fe -","- C10 H2 Br8 Fe -","1","0.5","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0529","0.0374","","","0.0713","0.0762","","","","","","1.063","","","","has coordinates,has Fobs","278580","2022-10-14","01:47:20",""
"2022686","8.9784","0.0003","14.0971","0.0004","15.8485","0.0004","90","","90.689","0.001","90","","2005.79","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1-Bromomercurio-2,3,4,5-tetrabromocyclopentadienyl)(1,2,3,4,5-pentabromocyclopentadienyl)iron(II)","","- C10 Br10 Fe Hg -","- C10 Br10 Fe Hg -","- C40 Br40 Fe4 Hg4 -","4","1","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0565","0.0362","","","0.0833","0.092","","","","","","1.058","","","","has coordinates,has Fobs","278580","2022-10-14","01:47:26",""
"2022687","9.623","0.0007","10.13","0.0018","10.151","0.0018","104.686","0.012","103.935","0.014","98.024","0.015","907.6","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1-Cyano-4-[<i>trans</i>-4-(<i>trans</i>-4-propylcyclohexyl)cyclohexyl]benzene","4-[<i>trans</i>-4-(<i>trans</i>-4-Propylcyclohexyl)cyclohexyl]benzonitrile","","- C22 H31 N -","- C22 H31 N -","- C44 H62 N2 -","2","1","YP3226","Gupta, Sakuntala; Das, Partha Pratim; Crispini, Alessandra; Scarpelli, Francesca; Borbone, Fabio; Centore, Roberto","Crystal and mesophase structure of a bicyclohexyl cyano mesogen","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622010105","","x-ray","0.71073","MoKα","","0.0626","0.0434","","","0.1245","0.1428","","","","","","1.063","","","","has coordinates,has Fobs","278766","2022-10-25","02:18:10",""
"2022688","15.0438","0.0007","13.42","0.0005","25.3937","0.0009","90","","100.933","0.004","90","","5033.6","0.4","174.1","","174.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(9,9-dimethyl-9<i>H</i>-xanthene-4,5-diyl)bis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>'](pyridine-3-carbonitrile-κ<i>N</i>^3^)copper(I)] hexafluorophosphate dichloromethane trisolvate]","","- C48 H42 Cl6 Cu F6 N2 O P3 -","- C48 H42 Cl6 Cu F6 N2 O P3 -","- C192 H168 Cl24 Cu4 F24 N8 O4 P12 -","4","1","OV3163","Kong, Yu-Jie; Wang, Jian-Teng; Song, Li","A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009809","","","0.71073","MoKα","","0.0871","0.0533","","","0.1276","0.1455","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","278873","2022-10-29","12:06:01",""
"2022689","9.7906","0.0005","9.6859","0.0005","9.8673","0.0005","90","","90","","90","","935.72","0.08","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylpyrylium tetrafluoroborate","","- C8 H11 B F4 O -","- C8 H11 B F4 O -","- C32 H44 B4 F16 O4 -","4","0.5","QZ3001","Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009469","","","0.71073","MoKα","","0.0417","0.0354","","","0.0854","0.0896","","","","","","1.05","","","","has coordinates,has Fobs","278874","2022-10-29","12:06:47",""
"2022690","9.492","0.0006","10.0234","0.0007","12.0606","0.0008","81.515","0.002","74.038","0.002","67.798","0.002","1020.21","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-Bromophenyl)(triphenylphosphanyl)borane","","- C24 H21 B Br P -","- C24 H21 B Br P -","- C48 H42 B2 Br2 P2 -","2","1","ZO3028","Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R.","Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622010002","","x-ray","1.54178","CuKα","","0.0257","0.0252","","","0.0629","0.0632","","","","","","1.049","","","","has coordinates,has Fobs","278875","2022-10-29","12:07:22",""
"2022693","7.1687","0.0004","10.6689","0.0007","23.4887","0.0015","90","","90","","90","","1796.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","x-ray","0.71073","MoKα","","0.0539","0.0426","","","0.1038","0.1081","","","","","","1.006","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:34",""
"2022694","7.1815","0.0002","10.684","0.0003","23.5104","0.0007","90","","90","","90","","1803.89","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","","1.54184","CuKα","","0.0509","0.0464","","","0.1251","0.1308","","","","","","1.097","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:38",""
"2022695","11.0392","0.0002","8.1756","0.0002","23.3673","0.0004","90","","90","","90","","2108.95","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 I2 N2 S -","- C8 H4 I2 N2 S -","- C64 H32 I16 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0293","0.0262","","","0.0691","0.0709","","","","","","1.088","","","","has coordinates","279171","2022-11-10","02:47:44",""
"2022696","11.1945","0.0005","7.1006","0.0003","25.4725","0.0009","90","","90","","90","","2024.75","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-bromophenyl)-1,3,4-selenadiazole","","- C8 H4 Br2 N2 Se -","- C8 H4 Br2 N2 Se -","- C64 H32 Br16 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0531","0.0442","","","0.104","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:47",""
"2022697","11.1735","0.0004","7.1222","0.0002","26.1875","0.0008","90","","90","","90","","2084","0.11","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-selenadiazole","","- C8 H4 Br I N2 Se -","- C8 H4 Br I N2 Se -","- C64 H32 Br8 I8 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0656","0.0697","","","","","","1.082","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022698","10.9919","0.0002","6.9945","0.0001","26.4076","0.0004","90","","90","","90","","2030.29","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 Br I N2 S -","- C8 H4 Br I N2 S -","- C64 H32 Br8 I8 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0229","0.021","","","0.0509","0.0517","","","","","","1.07","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022700","19.294","0.003","9.4173","0.0008","13.743","0.0012","90","","108.57","0.005","90","","2367.1","0.5","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-iminium chloride; 2-imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine monohydrate","","- C8 H17 Cl N6 O -","- C8 H17 Cl N6 O -","- C64 H136 Cl8 N48 O8 -","8","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0551","0.0435","","","0.1082","0.116","","","","","","1.028","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022701","5.9577","0.0004","6.7494","0.0005","6.8249","0.0005","101.641","0.004","104.225","0.006","111.425","0.004","234.36","0.03","100.02","","100.02","","","","","","","","","3","P -1","-P 1","2","","2-Imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine","","- C4 H7 N3 -","- C4 H7 N3 -","- C8 H14 N6 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0889","0.0916","","","","","","1.094","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022702","7.3685","0.0005","8.0074","0.0007","8.4211","0.0009","90","","115.741","0.005","90","","447.56","0.07","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-one","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C16 H24 N8 O4 -","4","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0386","0.0331","","","0.0858","0.0888","","","","","","1.029","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022703","6.3296","0.0019","7.0222","0.0019","7.351","0.002","84.975","0.013","71.693","0.013","63.889","0.012","278.05","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","6-Amino-4,5-dihydropyridin-2(3<i>H</i>)-one","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C10 H16 N4 O2 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","0.71073","MoKα","","0.055","0.0426","","","0.1125","0.1195","","","","","","1.059","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022704","9.4887","0.0009","14.5341","0.0011","12.2828","0.001","90","","111.32","0.008","90","","1578","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Imino-3,4,5,6-tetrahydropyridin-2-amine methanol monosolvate","","- C6 H13 N3 O -","- C6 H13 N3 O -","- C48 H104 N24 O8 -","8","2","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","","1.54178","CuKα","","0.0432","0.04","","","0.105","0.1076","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","283572","2023-05-06","10:43:23",""
"2022705","9.7839","0.0011","10.2313","0.0011","18.272","0.002","90","","97.125","0.001","90","","1814.9","0.3","125.01","","125.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","5-[(<i>E</i>)-2-Chloroethenyl]-1,3,4-oxathiazol-2-one","","- C4 H2 Cl N O2 S -","- C4 H2 Cl N O2 S -","- C48 H24 Cl12 N12 O24 S12 -","12","6","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0494","0.0362","","","0.0767","0.0846","","","","","","1.049","","","","has coordinates,has Fobs","283574","2023-05-06","10:43:49",""
"2022706","6.5967","0.0002","24.1942","0.0009","9.1724","0.0003","90","","91.904","0.001","90","","1463.12","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>rac</i>-2,3-Dibromo-3-chloropropanamide","","- C3 H4 Br2 Cl N O -","- C3 H4 Br2 Cl N O -","- C24 H32 Br16 Cl8 N8 O8 -","8","4","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0551","0.0481","","","0.1331","0.1391","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022707","7.1195","0.0002","16.4402","0.0005","9.7821","0.0003","90","","90","","90","","1144.96","0.06","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>rac</i>-5-(1,2-Dibromo-2-phenylethyl)-1,3,4-oxathiazol-2-one","","- C10 H7 Br2 N O2 S -","- C10 H7 Br2 N O2 S -","- C40 H28 Br8 N4 O8 S4 -","4","1","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0172","0.0157","","","0.0356","0.036","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022708","6.3116","0.0009","6.3116","0.0009","9.944","0.002","90","","90","","90","","396.13","0.11","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ga18 Mg Mn4 -","- Ga18 Mg Mn4 -","- Ga18 Mg Mn4 -","1","0.0625","YP3224","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Chumak, Ihor; Indris, Sylvio; Schwarz, Bjoern; Ehrenberg, Helmut","MgMn~4~Ga~18~: a novel three-shell gallium cluster structure","Acta Crystallographica, Section C","2022","78","8","455","461","10.1107/S2053229622007185","","","0.71073","MoKα","","0.0522","0.0444","","","0.0805","0.0823","","","","","","1.41","","","","has coordinates,has Fobs","282155","2023-03-31","13:04:13",""
"2022776","9.1548","0.0005","9.7791","0.0005","15.6336","0.0009","90","","90","","90","","1399.61","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.041","0.0357","","","0.0871","0.0896","","","","","","1.071","","","","has coordinates,has Fobs","284684","2023-06-29","15:26:29",""
"2022777","10.7065","0.0003","10.9434","0.0003","12.8256","0.0004","69.029","0.001","82.871","0.001","67.515","0.001","1296.37","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole ethanol monosolvate","","- C32 H30 N2 O3 -","- C32 H30 N2 O3 -","- C64 H60 N4 O6 -","2","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.0697","0.0539","","","0.1507","0.1616","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","284684","2023-06-29","15:26:32",""
"2022834","7.6327","0.0005","9.5561","0.0006","11.2899","0.0007","90","","104.095","0.003","90","","798.68","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0628","0.0408","","","0.0904","0.1006","","","","","","1.029","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:03",""
"2022835","3.7712","0.0003","6.1229","0.0005","34.868","0.003","90","","93.099","0.003","90","","803.95","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0595","0.0434","","","0.0803","0.0851","","","","","","1.132","","","","has coordinates","285783","2023-08-16","01:48:11",""
"2022836","3.8029","0.0002","9.9199","0.0005","11.5709","0.0006","66.828","0.002","82.168","0.003","82.245","0.002","395.96","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0455","0.0357","","","0.0898","0.096","","","","","","1.051","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:43",""
"2022847","12.9774","0.0008","18.3039","0.0011","18.2877","0.0011","90","","90","","90","","4344","0.5","223.1","","223.1","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","{(<i>R</i>)-1-[1-(Dimethylamino)ethyl]napthyl-κ^2^<i>N</i>,<i>C</i>^2^}[(diphenylphosphanylmethyl)diphenylphosphine sulfide-κ^2^<i>P</i>,<i>S</i>]platinum(II) hexafluoridoantimonate dichloromethane monosolvate","","- C40 H40 Cl2 F6 N P2 Pt S Sb -","- C39 H38 F6 N P2 Pt S Sb -","- C156 H152 F24 N4 P8 Pt4 S4 Sb4 -","4","1","QF3061","Faller, Jack; Parr, Jonathan","Hemilability and structural considerations in complexes of platinum(II) comprising bis(diphenylphosphanyl)methane monoxide, monosulfide, and monoselenide","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623007325","","","0.71075","MoKα","","0.0779","0.0544","","","0.0974","0.105","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","285905","2023-08-30","01:48:27",""
"2022996","15.1466","0.0008","4.5782","0.0003","10.606","0.0007","90","","116.956","0.002","90","","655.56","0.07","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium yttrium manganese telluride","","- Ba2 Mn1.71 Te5 Y0.87 -","- Ba2 Mn1.704 Te5 Y0.872 -","- Ba4 Mn3.408 Te10 Y1.744 -","2","0.25","YD3036","Yadav, Sweta; Prakash, Jai","Synthesis and crystal structure of Ba2Y0.87(1)Mn1.71(1)Te5","Acta Crystallographica Section C Structural Chemistry","2024","80","1","","","10.1107/S2053229623011099","","","0.71073","MoKα","","0.0418","0.026","","","0.0459","0.0484","","","","","","1.065","","","","has coordinates,has Fobs","288598","2024-01-02","02:22:56",""
"2022997","7.9846","0.0006","9.1982","0.0006","19.3636","0.0016","90","","90","","90","","1422.14","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,8a<i>R</i>)-3-Phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-<i>b</i>]thiazol-9-ium bromide","","- C15 H17 Br N2 S -","- C15 H17 Br N2 S -","- C60 H68 Br4 N8 S4 -","4","1","ZO3043","Savin, J. Alejandro; Ávila-Ortíz, C. Gabriela; Leyva-Ramírez, Marco Antonio; Juaristi, Eusebio","X-ray crystallographic structure of a novel enantiopure chiral isothiourea with potential applications in enantioselective synthesis","Acta Crystallographica Section C Structural Chemistry","2024","80","1","15","20","10.1107/S2053229623010781","","x-ray","0.71073","MoKα","","0.0407","0.0313","","","0.0735","0.0775","","","","","","1.097","","","","has coordinates,has Fobs","288698","2024-01-05","02:47:30",""
"2023017","14.0021","0.0003","14.0021","0.0003","63.523","0.003","90","","90","","120","","10785.7","0.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H44 Cu3 Eu2 N18 O31 -","- C66 H42 Cu3 Eu2 N18 O30 -","- C396 H252 Cu18 Eu12 N108 O180 -","6","0.166667","OC3022","Yang, Ke; Yang, Yuting; Yao, Ziqin; Cheng, Sisi; Cui, Xue; Wang, Xingyi; Han, Yi; Yi, Feiyan; Mo, Guang","High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton","Acta Crystallographica Section C Structural Chemistry","2024","80","2","49","55","10.1107/S205322962400010X","","","0.71073","MoKα","","0.0377","0.0296","","","0.0856","0.0912","","","","","","1.075","","","","has coordinates","289254","2024-02-01","03:03:25",""
"2023076","12.407","0.0009","17.425","0.0014","17.5276","0.0012","90","","90","","90","","3789.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol","","- C18 H19 Br N2 O3 S -","- C18 H19 Br N2 O3 S -","- C144 H152 Br8 N16 O24 S8 -","8","1","EF3052","Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","129","142","10.1107/S205322962400233X","","","0.71073","MoKα","","0.097","0.0624","","","0.1513","0.1724","","","","","","1.087","","","","has coordinates","291714","2024-05-06","04:18:56",""
"2311092","23.1729","0.0014","3.6802","0.0003","15.6312","0.0008","90","","109.728","0.006","90","","1254.8","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Fluorosalicylic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C56 H40 F8 O24 -","8","2","JX3004","Lutz, Martin; Vliem, Jara F.; Rodenburg, Hendrik P.","Twinning in 5-fluorosalicylic acid: description of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","1","6","10.1107/S2053229617017077","","","0.71073","MoKα","","0.0631","0.0473","","","0.1133","0.1226","","","","","","1.053","","","","has coordinates,has Fobs","205701","2020-10-21","18:00:00",""
"2311806","9.4373","0.0004","9.5334","0.0004","10.4848","0.0005","109.352","0.002","110.768","0.002","96.643","0.002","802.59","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(5-amino-3-carboxy-4<i>H</i>-1,2,4-triazol-1-ium) hexachloridocadmate(II) tetrahydrate","","- C12 H28 Cd Cl6 N16 O12 -","- C12 H28 Cd Cl6 N16 O12 -","- C12 H28 Cd Cl6 N16 O12 -","1","0.5","KU3133","Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Roisnel, Thierry","A simple hydrated salt with a complex hydrogen-bonding network: tetrakis(5-amino-3-carboxy-4H-1,2,4-triazol-1-ium) hexachloridocadmate(II) tetrahydrate.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 7","672","676","10.1107/S2053229614012819","","","0.71073","MoKα","","0.0287","0.0262","","","0.0679","0.0694","","","","","","1.05","","","","has coordinates","246123","2020-10-21","18:00:00",""
"2311807","3.9338","0.0005","14.022","0.003","14.126","0.003","90","","90","","90","","779.2","0.3","277","2","277","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dimethyl-3-nitrobenzene","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Sparkes, Hazel A.; Sage, Henry J.; Yufit, Dmitry S.","In-situ cryocrystallization of 1,2-dimethyl-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","872","875","10.1107/S2053229614017896","","","0.71073","MoKα","","0.0417","0.0347","","","0.1027","0.1102","","","","","","1.068","","","","has coordinates","246124","2020-10-21","18:00:00",""
"2311808","11.693","0.004","9.738","0.003","7.018","0.001","90","","106.54","0.02","90","","766","0.4","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-1-nitrobenzene","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Sparkes, Hazel A.; Sage, Henry J.; Yufit, Dmitry S.","In-situ cryocrystallization of 1,2-dimethyl-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","872","875","10.1107/S2053229614017896","","","0.71073","MoKα","","0.1588","0.0768","","","0.2049","0.2648","","","","","","1.019","","","","has coordinates","246124","2020-10-21","18:00:00",""
"2311809","7.8354","0.0008","8.7538","0.0005","18.2615","0.0018","90","","101.041","0.008","90","","1229.36","0.19","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calcium bromide nonahydrate","Calcium bromide nonahydrate","","- Br2 Ca H18 O9 -","- Br2 Ca H18 O9 -","- Br8 Ca4 H72 O36 -","4","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0397","0.0357","","","0.0817","0.0843","","","","","","1.096","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311810","7.4521","0.0014","8.6127","0.0019","10.725","0.002","86.048","0.017","84.184","0.016","72.427","0.016","652.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","Calcium iodide octahydrate","Calcium iodide octahydrate","","- Ca H16 I2 O8 -","- Ca H16 I2 O8 -","- Ca2 H32 I4 O16 -","2","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.037","0.0353","","","0.0945","0.096","","","","","","1.184","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311811","9.841","0.002","16.53","0.005","14.639","0.005","90","","92.17","0.02","90","","2379.6","1.2","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","calcium iodide heptahydrate","Calccium iodide heptahydrate","","- Ca2 H28 I4 O14 -","- Ca2 H28 I4 O14 -","- Ca8 H112 I16 O56 -","4","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0327","0.0297","","","0.0739","0.0753","","","","","","1.155","","","","has coordinates","280060","2022-12-29","10:53:49",""
"2311812","16.466","0.003","8.2919","0.0011","17.947","0.003","90","","111.045","0.012","90","","2286.9","0.7","153","1","153","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","calcium iodide 6.5 hydrate","Calcium iodide 6.5-hydrate","","- Ca H13 I2 O6.5 -","- Ca H13 I2 O6.5 -","- Ca8 H104 I16 O52 -","8","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0304","0.026","","","0.069","0.0717","","","","","","1.111","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311813","7.695","0.0008","17.129","0.001","7.8316","0.0008","90","","115.525","0.008","90","","931.51","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-2-(propan-2-ylidene)hydrazone","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0473","0.0345","","","0.0862","0.0893","","","","","","0.939","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311814","9.3086","0.0009","18.283","0.002","8.1543","0.0007","90","","103.328","0.007","90","","1350.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-2-(1-cyclohexylethylidene)hydrazone","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0537","0.0397","","","0.1047","0.1089","","","","","","0.969","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311815","5.5789","0.0005","7.6868","0.0009","33.128","0.003","90","","90.356","0.007","90","","1420.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-[1-(naphthalen-2-yl)ethylidene]hydrazone","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0564","0.0325","","","0.0759","0.08","","","","","","0.846","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311816","16.0939","0.0015","13.8666","0.0008","16.8556","0.0016","90","","116.661","0.007","90","","3361.7","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Benzoyl-2-(1-cyclohexylbenzylidene)hydrazone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0488","0.0359","","","0.0948","0.0979","","","","","","1.058","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311817","16.863","0.001","10.1678","0.0008","18.694","0.002","90","","102.079","0.006","90","","3134.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-(1-phenylbenzylidene)hydrazone","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0619","0.0336","","","0.0663","0.0719","","","","","","0.814","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311818","19.432","0.004","8.933","0.0018","19.496","0.004","90","","102.18","0.03","90","","3308.1","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-[1-(4-chlorophenyl)benzylidene]hydrazone","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C160 H120 Cl8 N16 O8 -","8","2","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0488","0.0308","","","0.0603","0.0638","","","","","","0.811","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311819","13.382","0.001","8.8183","0.0008","23.275","0.002","90","","90","","90","","2746.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzoyl-2-(4-hydroxybenzylidene)hydrazone methanol monosolvate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0597","0.032","","","0.068","0.0731","","","","","","0.803","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311820","11.1869","0.0008","7.9143","0.0006","20.233","0.002","90","","92.967","0.006","90","","1789","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-(1,1-diphenylpropan-2-ylidene)hydrazone","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0394","0.0304","","","0.0813","0.083","","","","","","1.1","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311821","8.3316","0.0003","16.1749","0.0006","18.1333","0.0006","90","","96.677","0.003","90","","2427.12","0.15","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dibromo-5-(4-<i>tert</i>-butylstyryl)2-(naphthalen-1-yl)thieno[3,2-<i>b</i>]thiophene","","- C28 H22 Br2 S2 -","- C28 H22 Br2 S2 -","- C112 H88 Br8 S8 -","4","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.0265","0.0216","","","0.0484","0.0506","","","","","","1.038","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311822","4.1522","0.0003","13.2861","0.0014","19.6117","0.0018","106.464","0.009","94.945","0.007","93.016","0.007","1030.32","0.17","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","3,6-Dibromo-5-(4-methylstyryl)-2-(naphthalen-1-yl)thieno[3,2-<i>b</i>]thiophene","","- C25 H16 Br2 S2 -","- C25 H16 Br2 S2 -","- C50 H32 Br4 S4 -","2","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.034","0.0279","","","0.0707","0.0742","","","","","","1.06","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311823","9.5401","0.0012","10.1575","0.0017","12.1711","0.0016","106.933","0.013","98.599","0.011","92.192","0.013","1111.4","0.3","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","3,6-Dibromo-2-(4-<i>tert</i>-butylphenyl)-5-(4-methylstyryl)thieno[3,2-<i>b</i>]thiophene","","- C25 H22 Br2 S2 -","- C25 H22 Br2 S2 -","- C50 H44 Br4 S4 -","2","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.0282","0.024","","","0.0602","0.0626","","","","","","1.051","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311824","5.0039","0.0007","10.7525","0.0012","12.6177","0.0012","108.615","0.01","91.771","0.011","90.167","0.011","643.01","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chloro-3-methylphenyl)-2-phenylacetamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C30 H28 Cl2 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.0796","0.063","","","0.1703","0.1866","","","","","","1.094","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311825","4.9995","0.0003","10.8392","0.0004","12.7301","0.0007","108.149","0.004","91.968","0.005","90.31","0.004","655.05","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Bromo-3-methylphenyl)-2-phenylacetamide","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C30 H28 Br2 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.0453","0.0418","","","0.1061","0.1097","","","","","","1.066","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311826","11.8441","0.0007","4.7288","0.0003","13.0981","0.0007","90","","101.31","0.006","90","","719.36","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-Chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C30 H24 Cl6 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.069","0.0581","","","0.1433","0.155","","","","","","1.067","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311827","11.8458","0.0008","4.7282","0.0003","25.0757","0.0015","90","","98.133","0.005","90","","1390.35","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromo-3-methylphenyl)-2-(2-chlorophenyl)acetamide","","- C15 H13 Br Cl N O -","- C15 H13 Br Cl N O -","- C60 H52 Br4 Cl4 N4 O4 -","4","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","0.71073","MoKα","","0.098","0.0635","","","0.1253","0.1407","","","","","","1.082","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311828","5.4118","0.0004","11.5632","0.0008","11.743","0.0008","109.462","0.007","94.399","0.006","102.509","0.007","667.51","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidinium chloride monohydrate","","- C10 H13 Cl N4 O3 S -","- C10 H13 Cl N4 O3 S -","- C20 H26 Cl2 N8 O6 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0326","0.0292","","","0.0766","0.079","","","","","","1.049","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311829","5.6468","0.0002","11.2749","0.0004","11.8363","0.0008","64.254","0.005","79.361","0.006","77.687","0.006","659.53","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-{[(4-azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium chloride methanol hemisolvate","","- C10.5 H13 Cl N4 O2.5 S -","- C10.5 H13 Cl N4 O2.5 S -","- C21 H26 Cl2 N8 O5 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.033","0.0305","","","0.0799","0.0815","","","","","","1.04","","","","has coordinates,has disorder","246129","2020-10-21","18:00:00",""
"2311830","11.942","0.0003","5.6295","0.0002","21.0659","0.0006","90","","98.38","0.003","90","","1401.09","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium bromide monohydrate","","- C10 H13 Br N4 O3 S -","- C10 H11.9 Br N4 O3.001 S -","- C40 H47.6 Br4 N16 O12.004 S4 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0378","0.0289","","","0.0677","0.0723","","","","","","1.063","","","","has coordinates,has disorder","246129","2020-10-21","18:00:00",""
"2311831","5.7792","0.0004","12.0002","0.0007","12.5214","0.0009","61.964","0.007","87.745","0.005","76.426","0.005","742.51","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(4-azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium) tetraiodide","","- C20 H22 I4 N8 O4 S2 -","- C20 H22 I4 N8 O4 S2 -","- C20 H22 I4 N8 O4 S2 -","1","0.5","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0434","0.0317","","","0.0565","0.0622","","","","","","1.042","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311832","5.8539","0.0001","11.3629","0.0003","21.208","0.0006","90","","90.982","0.002","90","","1410.49","0.06","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium tetrafluoroborate monohydrate","","- C10 H13 B F4 N4 O3 S -","- C10 H13 B F4 N4 O3 S -","- C40 H52 B4 F16 N16 O12 S4 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0479","0.0371","","","0.0831","0.0888","","","","","","1.034","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311833","5.4705","0.0004","10.1235","0.0007","11.9956","0.0008","86.708","0.006","85.489","0.006","74.394","0.007","637.4","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium nitrate","","- C10 H11 N5 O5 S -","- C10 H11 N5 O5 S -","- C20 H22 N10 O10 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0591","0.0451","","","0.1032","0.1095","","","","","","1.037","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311834","5.5269","0.0004","34.979","0.003","8.4395","0.0006","90","","93.102","0.007","90","","1629.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium ethanesulfonate","","- C12 H16 N4 O5 S2 -","- C12 H16 N4 O5 S2 -","- C48 H64 N16 O20 S8 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.1104","0.0546","","","0.0947","0.1123","","","","","","1.007","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311835","18.5872","0.0005","5.9733","0.0002","18.685","0.0005","90","","104.858","0.003","90","","2005.17","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium 4-hydroxybenzenesulfonate dihydrate","","- C16 H20 N4 O8 S2 -","- C16 H20 N4 O8 S2 -","- C64 H80 N16 O32 S8 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0671","0.048","","","0.1026","0.1132","","","","","","1.027","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311836","7.5805","0.0004","9.7942","0.0005","13.6175","0.0006","97.712","0.002","96.549","0.002","99.416","0.002","978.77","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6-(2-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C10 H6 Cl N3 S -","- C10 H6 Cl N3 S -","- C40 H24 Cl4 N12 S4 -","4","2","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0378","0.0324","","","0.0887","0.0941","","","","","","1.034","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311837","7.5567","0.0003","11.4589","0.0005","24.9006","0.0011","90","","90","","90","","2156.18","0.16","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(2-Chlorophenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C11 H8 Cl N3 S -","- C11 H8 Cl N3 S -","- C88 H64 Cl8 N24 S8 -","8","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0364","0.0315","","","0.0814","0.0859","","","","","","1.056","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311838","5.5186","0.0002","7.5194","0.0003","12.8406","0.0005","102.027","0.002","91.293","0.002","98.43","0.002","514.74","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6-(3,4-Dichlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C10 H5 Cl2 N3 S -","- C10 H5 Cl2 N3 S -","- C20 H10 Cl4 N6 S2 -","2","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0305","0.0271","","","0.0667","0.071","","","","","","1.116","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311839","8.6766","0.0003","11.7888","0.0004","12.5227","0.0004","103.039","0.002","95.189","0.002","110.365","0.002","1149.69","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C12 H10 F N3 O S -","- C12 H10 F N3 O S -","- C48 H40 F4 N12 O4 S4 -","4","2","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0447","0.0356","","","0.0965","0.1049","","","","","","1.046","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311840","7.4999","0.0004","8.8965","0.0005","11.2806","0.0009","83.338","0.006","73.354","0.005","86.406","0.006","715.92","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Ethylsulfanyl-7-(furan-2-yl)-4-(thiophen-2-yl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","","- C15 H12 N4 O S2 -","- C15 H12 N4 O S2 -","- C30 H24 N8 O2 S4 -","2","1","SK3556","Insuasty, Henry; Insuasty, Braulio; Castro, Edison; Cobo, Justo; Glidewell, Christopher","2-Ethylsulfanyl-7-(furan-2-yl)-4-(thiophen-2-yl)pyrazolo[1,5-a][1,3,5]triazine: π-stacked chains of hydrogen-bonded R2(2)(10) dimers.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","908","911","10.1107/S2053229614018877","","","0.71073","MoKα","","0.111","0.0546","","","0.119","0.1494","","","","","","1.03","","","","has coordinates,has disorder","246131","2020-10-21","18:00:00",""
"2311841","8.847","0.003","17.679","0.006","9.564","0.003","90","","100.38","0.02","90","","1471.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bromoacetate","","- C14 H26 Br N O2 -","- C14 H26 Br N O2 -","- C56 H104 Br4 N4 O8 -","4","1","","Rojek, Tomasz; Lis, Tadeusz; Matczak-Jon, Ewa","Dicyclohexylammonium bromoacetate: a low molecular mass organogelator with a one-dimensional secondary ammonium monocarboxylate (SAM) synthon.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 7","593","597","10.1107/S2053229615011018","","","0.71073","MoKα","","0.0392","0.0325","","","0.0917","0.0939","","","","","","1.058","","","","has coordinates","246132","2020-10-21","18:00:00",""
"2311842","8.9698","0.0004","12.4288","0.0005","20.3978","0.0008","90","","90.7276","0.0017","90","","2273.84","0.16","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[μ-1,3-bis(3-<i>tert</i>-butylimidazolin-2-yliden-1-yl)pyridine]-1κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^;2κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^-dicopper(I) bis(hexafluoridophosphate)","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","FP3013","Riener, Korbinian; Pöthig, Alexander; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","Structure and spectroscopic properties of the dimeric copper(I) N-heterocyclic carbene complex [Cu₂(CNC(t-Bu))₂](PF₆)₂.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 8","643","646","10.1107/S2053229615012140","","","0.71073","MoKα","","0.0202","0.0192","","","0.0487","0.0491","","","","","","1.027","","","","has coordinates","246133","2020-10-21","18:00:00",""
"2311843","15.0721","0.0004","11.3109","0.0003","19.4443","0.0004","90","","90","","90","","3314.85","0.14","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4-(Diethylamino)benzyl]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0788","0.0483","","","0.1202","0.1348","","","","","","1.047","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311844","9.8128","0.0002","10.0235","0.0002","30.4669","0.0006","90","","90","","90","","2996.68","0.1","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-5-(2,4,6-trimethoxybenzyl)-1,3-dioxane-4,6-dione","","- C16 H20 O7 -","- C16 H20 O7 -","- C128 H160 O56 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0689","0.0421","","","0.0942","0.1052","","","","","","0.997","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311845","22.9942","0.0005","10.184","0.0002","26.9904","0.0007","90","","112.125","0.001","90","","5855","0.2","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-(4-Hydroxy-3,5-dimethoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C15 H18 O7 -","- C15 H18 O7 -","- C240 H288 O112 -","16","2","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.1458","0.0555","","","0.1021","0.1275","","","","","","0.958","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311846","19.154","0.0013","7.939","0.0004","13.936","0.001","90","","93.613","0.006","90","","2114.9","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato-κ<i>O</i>)zinc(II)]-μ-isonicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C20 H12 Cl4 N2 O5 Zn -","- C20 H12 Cl4 N2 O5 Zn -","- C80 H48 Cl16 N8 O20 Zn4 -","4","1","CU3087","Homzová, Katarína; Györyová, Katarína; Koman, Marián; Melník, Milan; Juhászová, Žofia","Synthesis, crystal structure, and spectroscopic and thermal properties of the polymeric compound catena-poly[[bis(2,4-dichlorobenzoato)zinc(II)]-μ-isonicotinamide].","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","814","819","10.1107/S2053229615014862","","","0.71073","MoKα","","0.0396","0.0264","","","0.0586","0.0669","","","","","","0.957","","","","has coordinates","246135","2020-10-21","18:00:00",""
"2311847","16.2034","0.0014","16.2034","","28.698","0.002","90","","90","","90","","7534.7","0.8","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","Ni_TFDIB","<i>trans</i>-Tetrakis(4-vinylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)‒2,3,5,6-tetrafluoro-1,4-diiodobenzene (1/1)","","- C36 H28 F4 I2 N6 Ni S2 -","- C36 H28 F4 I2 N6 Ni S2 -","- C288 H224 F32 I16 N48 Ni8 S16 -","8","0.5","YP3107","Şerb, Mihaela-Diana; Merkens, Carina; Kalf, Irmgard; Englert, Ulli","Halogen bonds on demand: I···S contacts in cocrystals of trans-bis(thiocyanato-κN)tetrakis(4-vinylpyridine-κN)nickel(II) and 2,3,5,6-tetrafluoro-1,4-diiodobenzene.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 11","991","995","10.1107/S2053229615019002","","","0.71073","MoKα","","0.0549","0.0359","","","0.0691","0.0772","","","","","","1.03","","","","has coordinates","246136","2020-10-21","18:00:00",""
"2311848","16.7143","0.0004","16.7143","0.0004","9.4518","0.0005","90","","90","","90","","2640.53","0.17","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C11 H7 N5 O4 S Zn -","- C11 H7 N5 O4 S Zn -","- C88 H56 N40 O32 S8 Zn8 -","8","1","YF3096","Liu, Yang; Feng, Yong Lan; Fu, Wei Wei","A new two-dimensional extended adenine and thiophenecarboxylate mixed-ligand zinc(II) complex: synthesis, structure, thermostability and luminescent properties.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1069","1073","10.1107/S2053229615021221","","","0.71073","MoKα","","0.0704","0.0639","","","0.1792","0.1864","","","","","","1.138","","","","has coordinates","246137","2020-10-21","18:00:00",""
"2311849","10.1146","0.0004","12.1591","0.0005","17.7002","0.0007","97.219","0.002","97.02","0.002","102.06","0.002","2087.05","0.15","123","","123","","","","","","","","","6","P -1","-P 1","2","","[1,1'-Bis(pyridin-2-yl)-2,2-bi(1<i>H</i>-imidazole)-κ<i>N</i>^3^][3,3'-bis(pyridin-2-yl-κ<i>N</i>)-1,1'-methanediylbi(1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^)](trimethylphosphane-κ<i>P</i>)iron(II) bis(hexafluoridophosphate)","","- C36 H35 F12 Fe N12 P3 -","- C36 H35 F12 Fe N12 P3 -","- C72 H70 F24 Fe2 N24 P6 -","2","1","FP3018","Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1096","1099","10.1107/S2053229615021968","","","0.71073","MoKα","","0.0925","0.0585","","","0.1218","0.1354","","","","","","1.049","","","","has coordinates,has disorder","246138","2020-10-21","18:00:00",""
"2311850","11.9879","0.0004","19.1972","0.0006","17.072","0.0006","90","","90.542","0.003","90","","3928.7","0.2","175","","175","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>rac</i>-<i>N</i>-<i>tert</i>-Butyl-<i>N</i>',<i>N</i>''-dicyclohexyl-<i>N</i>''-methylphosphoric triamide","","- C17 H36 N3 O P -","- C17 H36 N3 O P -","- C136 H288 N24 O8 P8 -","8","4","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.1133","0.096","","0.1199","0.1131","0.1184","","","","","","1.0883","","","","has coordinates,has disorder","246139","2020-10-21","18:00:00",""
"2311851","10.9207","0.0004","24.0557","0.0007","24.3993","0.0008","90","","98.98","0.003","90","","6331.3","0.4","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'-methyl-<i>N</i>''-(<i>p</i>-tolyl)phosphoric triamide","","- C20 H34 N3 O P -","- C20 H34 N3 O P -","- C240 H408 N36 O12 P12 -","12","3","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.0851","0.0577","","0.1577","0.1421","0.1515","","","","","","0.903","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311852","21.9179","0.001","8.9546","0.0004","20.3544","0.0014","90","","90","","90","","3994.9","0.4","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexyl-<i>N</i>''-methylphosphoric triamide","","- C19 H38 N3 O P2 -","- C19 H38 N3 O P -","- C152 H304 N24 O8 P8 -","8","2","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.146","0.124","","0.3318","0.3133","0.3261","","","","","","1.2148","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311853","6.3318","0.0003","10.3065","0.0005","23.1616","0.001","90","","90","","90","","1511.5","0.12","175","","175","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[Cyclohexyl(methyl)amino]-5,5-dimethyl-1,3,2λ^5^-diazaphosphinan-2-one","","- C12 H26 N3 O P -","- C12 H26 N3 O P -","- C48 H104 N12 O4 P4 -","4","1","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.0625","0.0485","","0.1244","0.1086","0.1207","","","","","","0.9665","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311854","5.0425","0.0002","9.0386","0.0003","10.1045","0.0004","91.6608","0.001","97.6593","0.001","101.081","0.001","447.21","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidenepyrrolidine-2,5-dione","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C22 H18 N2 O4 -","2","1","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.0459","0.0391","","","0.1042","0.1097","","","","","","1.056","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311855","7.5977","0.0004","18.2537","0.0009","8.0187","0.0004","90","","116.727","0.001","90","","993.27","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzylidene-1-methylpyrrolidine-2,5-dione","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.0474","0.0397","","","0.1028","0.1097","","","","","","1.037","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311856","10.2638","0.0004","12.1068","0.0004","12.2361","0.0004","63.3851","0.0011","85.277","0.0012","71.4797","0.0012","1285.74","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.075","0.0472","","","0.1181","0.1328","","","","","","1.013","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311857","15.7247","0.0004","18.8101","0.0005","19.1726","0.0005","78.2025","0.0013","82.7526","0.0014","85.7404","0.0012","5499.9","0.2","123","","123","","","","","","","","","8","P -1","-P 1","2","","Bis[di-μ-bromido-bis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II))] <i>cyclo</i>-tetra-μ-bromido-tetrakis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II)) octakis(tetrafluoroborate) dichloromethane octasolvate","","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","1","0.5","FP3030","Jandl, C.; Stegbauer, S.; Pöthig, A","A Pd4Br4 macrocycle trapped by cocrystallization from a highly dynamic equilibrium of η(3)-cycloheptatrienide complexes.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 7","509","513","10.1107/S2053229616008275","","","0.71073","MoKα","","0.0436","0.03","","","0.0748","0.0798","","","","","","1.028","","","","has coordinates,has disorder","246141","2020-10-21","18:00:00",""
"2311858","16.4188","0.0005","16.4188","0.0005","8.8395","0.0003","90","","90","","120","","2063.67","0.11","100","2","100","2","","","","","","","","7","P 3","P 3","143","Mg-Valinomycin","Valinomycin hexaaquamagnesium bis(trifluoromethanesulfonate) trihydrate","","- C56 H108 F6 Mg N6 O33 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","1","0.333333","QS3057","Fujita, Megumi; Kazerouni, Amaan M.; Bacsa, John","The structure of a valinomycin-hexaaquamagnesium trifluoromethanesulfonate compound.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 8","627","633","10.1107/S2053229616010676","","","0.71073","MoKα","","0.0581","0.0469","","","0.1102","0.1201","","","","","","1.039","","","","has coordinates","246142","2020-10-21","18:00:00",""
"2311859","18.2186","0.0004","20.0166","0.0004","7.2534","0.0002","90","","90","","90","","2645.13","0.11","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","Bis(benzo[<i>b</i>]thiophen-2-yl)methanone","","- C17 H10 O S2 -","- C17 H10 O S2 -","- C136 H80 O8 S16 -","8","1","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.0259","0.0252","","","0.0668","0.0671","","","","","","0.992","","","","has coordinates","246143","2020-10-21","18:00:00",""
"2311860","19.3755","0.0005","17.0998","0.0004","5.9656","0.0001","90","","90","","90","","1976.51","0.08","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol","","- C22 H20 O S2 Si -","- C22 H20 O S2 Si -","- C88 H80 O4 S8 Si4 -","4","0.5","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.04","0.0327","","","0.0788","0.082","","","","","","1.062","","","","has coordinates,has disorder","246143","2020-10-21","18:00:00",""
"2311861","9.4426","0.0003","19.5197","0.0006","8.4323","0.0003","90","","101.539","0.002","90","","1522.8","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)prop-2-yn-1-ol","","- C19 H12 O S2 -","- C19 H12 O S2 -","- C76 H48 O4 S8 -","4","1","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.0271","0.0258","","","0.0659","0.0668","","","","","","1.081","","","","has coordinates,has disorder","246143","2020-10-21","18:00:00",""
"2311862","38.459","0.003","8.6208","0.0007","8.242","0.0007","90","","95.371","0.002","90","","2720.6","0.4","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Inositol Derivative","1,2-<i>O</i>-Cyclohexylidene-<i>myo</i>-inositol dihydrate","","- C12 H24 O8 -","- C12 H23 O8 -","- C96 H184 O64 -","8","1","QS3056","Purushothaman, Gayathri; Juvale, Kapil; Kirubakaran, Sivapriya; Vemula, Praveen Kumar; Thiruvenkatam, Vijay","Water-mediated intermolecular interactions in 1,2-O-cyclohexylidene-myo-inositol: a quantitative analysis.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","20","27","10.1107/S2053229616018581","","","0.71073","MoKα","","0.0916","0.0551","","","0.1104","0.1404","","","","","","1.241","","","","has coordinates","246144","2020-10-21","18:00:00",""
"2311863","15.1693","0.0006","6.7367","0.0002","12.9532","0.0004","90","","108.033","0.004","90","","1258.68","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","magnesium <i>p</i>-arsanilate decahydrate","Hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mg N2 O16 -","- C12 H34 As2 Mg N2 O16 -","- C24 H68 As4 Mg2 N4 O32 -","2","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0343","0.0284","","","0.0679","0.0717","","","","","","1.117","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311864","9.001","0.005","9.672","0.005","11.756","0.005","77.096","0.005","74.096","0.005","82.236","0.005","956.4","0.8","200","1","200","1","","","","","","","","6","P -1","-P 1","2","calcium <i>p</i>-arsanilate tetrahydrate","<i>catena</i>-Poly[[[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']-[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>]] dihydrate]","","- C12 H22 As2 Ca N2 O10 -","- C12 H22 As2 Ca N2 O10 -","- C24 H44 As4 Ca2 N4 O20 -","2","1","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0386","0.031","","","0.0641","0.0682","","","","","","1.055","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311865","9.8935","0.0003","7.5844","0.0003","23.6669","0.0009","90","","97.866","0.003","90","","1759.17","0.11","200","1","200","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","strontium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquastrontium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 N2 O9 Sr -","- C12 H20 As2 N2 O9 Sr -","- C48 H80 As8 N8 O36 Sr4 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.025","0.0219","","","0.0502","0.0511","","","","","","1.087","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311866","9.9997","0.0008","7.7305","0.0006","23.979","0.002","90","","98.214","0.007","90","","1834.6","0.3","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","barium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquabarium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 Ba N2 O9 -","- C12 H20 As2 Ba N2 O9 -","- C48 H80 As8 Ba4 N8 O36 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0259","0.0228","","","0.054","0.0549","","","","","","1.096","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311867","3.9329","0.0017","8.615","0.004","17.836","0.007","90","","90","","90","","604.3","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium chloride-pyridine solvate","<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)lithium]-μ~3~-chlorido]","","- C5 H5 Cl Li N -","- C5 H5 Cl Li N -","- C20 H20 Cl4 Li4 N4 -","4","1","KY3111","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0342","0.0293","","","0.0652","0.0672","","","","","","1.058","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311868","24.725","0.003","14.7026","0.0018","15.8325","0.0019","90","","90","","90","","5755.5","1.2","100","2","100.01","","","","","","","","","6","A e a 2","A 2 -2ab","41","","Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C28 H28 F6 Li N4 P -","- C28 H28 F6 Li N4 P -","- C224 H224 F48 Li8 N32 P8 -","8","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0921","0.098","","","","","","1.067","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311869","12.3857","0.0012","12.3857","0.0012","7.0065","0.001","90","","90","","90","","1074.8","0.2","123","2","123.09","","","","","","","","","6","I -4","I -4","82","Pyridine Lithium hexafluorophosphate solvate","Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C20 H20 F6 Li N4 P -","- C20 H20 F6 Li N4 P -","- C40 H40 F12 Li2 N8 P2 -","2","0.25","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.049","0.0488","","","0.1188","0.1193","","","","","","1.055","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311870","12.24","0.004","18.88","0.006","12.675","0.004","90","","105.864","0.006","90","","2817.5","1.6","178","2","178","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinylpyridine lithium chloride solvate","Di-μ-chlorido-bis[bis(4-ethenylpyridine-κ<i>N</i>)lithium]","","- C28 H28 Cl2 Li2 N4 -","- C28 H28 Cl2 Li2 N4 -","- C112 H112 Cl8 Li8 N16 -","4","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.1288","0.0525","","","0.0937","0.117","","","","","","0.97","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311871","9.2021","0.0017","10.2022","0.0016","16.532","0.003","74.49","0.006","78.452","0.006","76.849","0.006","1440.2","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","PLZ03102016","Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","1","EG3217","Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.","Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 4","350","356","10.1107/S2053229617004314","","","0.71073","MoKa","","0.0664","0.0456","","","0.1143","0.128","","","","","","1.031","","","","has coordinates,has disorder","246147","2020-10-21","18:00:00",""
"2311872","15.26","0.003","11.75","0.002","10.334","0.002","90","","99.04","0.03","90","","1829.9","0.6","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[chlorido[μ~3~-(pyridin-1-ium-3-yl)phosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']zinc(II)]","","- C5 H5 Cl N O3 P Zn -","- C5 H5 Cl N O3 P Zn -","- C40 H40 Cl8 N8 O24 P8 Zn8 -","8","1","LY3044","Wilk-Kozubek, Magdalena; Jarzembska, Katarzyna N.; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis, structural characterization and computational studies of catena-poly[chlorido[μ<sub>3</sub>-(pyridin-1-ium-3-yl)phosphonato-κ<sup>3</sup>O:O':O'']zinc(II)].","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","363","368","10.1107/S2053229617004478","","","0.71073","MoKα","","0.0673","0.0348","","","0.0645","0.0713","","","","","","1.002","","","","has coordinates","246148","2020-10-21","18:00:00",""
"2311873","28.73","0.006","7.5129","0.0015","12.476","0.003","90","","111.97","0.03","90","","2497.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C28 H24 N8 O Zn -","- C28 H24 N8 O Zn -","- C112 H96 N32 O4 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.1026","0.0615","","","0.1276","0.1451","","","","","","1.004","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311874","16.869","0.003","12.488","0.003","14.626","0.003","90","","114.98","0.03","90","","2792.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κO)zinc(II)","","- C28 H24 N10 O6 Zn -","- C28 H24 N10 O6 Zn -","- C112 H96 N40 O24 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0313","0.028","","","0.0724","0.074","","","","","","1.041","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311875","12.297","0.003","12.663","0.003","9.99","0.002","90","","111.58","0.03","90","","1446.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κO)bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C30 H30 N8 O2 Zn -","- C30 H30 N8 O2 Zn -","- C60 H60 N16 O4 Zn2 -","2","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0829","0.0417","","","0.0911","0.1125","","","","","","0.99","","","","has coordinates,has disorder","246149","2020-10-21","18:00:00",""
"2311876","18.848","0.004","11.254","0.002","15.707","0.003","90","","119.44","0.03","90","","2901.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]cadmium(II)","","- C28 H24 Cd I2 N8 -","- C28 H24 Cd I2 N8 -","- C112 H96 Cd4 I8 N32 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0415","0.0402","","","0.1009","0.102","","","","","","1.096","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311877","17.113","0.003","12.603","0.003","14.708","0.003","90","","115.8","0.03","90","","2855.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O6 -","- C28 H24 Cd N10 O6 -","- C112 H96 Cd4 N40 O24 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0331","0.03","","","0.0672","0.0684","","","","","","1.065","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311878","28.735","0.006","7.4617","0.0015","12.421","0.003","90","","111.79","0.03","90","","2472.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)","","- C28 H24 Co N8 O -","- C28 H24 Co N8 O -","- C112 H96 Co4 N32 O4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0355","0.0285","","","0.0676","0.071","","","","","","1.068","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311879","26.778","0.005","7.4858","0.0015","12.472","0.003","90","","92.91","0.03","90","","2496.8","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diaquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]nickel(II)","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0266","0.0241","","","0.0662","0.0673","","","","","","1.071","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311880","10.6203","0.0012","11.8441","0.0013","12.3126","0.0013","99.255","0.006","100.973","0.005","111.584","0.005","1367.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C62 H56 Fe2 I2 P2 -","2","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0438","0.0331","","","0.0681","0.0776","","","","","","1.153","","","","has coordinates","246150","2020-10-21","18:00:00",""
"2311881","10.109","0.0016","10.6299","0.0015","25.148","0.004","90","","102.868","0.007","90","","2634.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C124 H112 Fe4 I4 P4 -","4","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0471","0.0269","","","0.0445","0.0489","","","","","","1.007","","","","has coordinates,has disorder","246150","2020-10-21","18:00:00",""
"2311882","8.9262","0.0009","9.9679","0.001","14.9683","0.0013","90","","101.825","0.01","90","","1303.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-aminopyridine-κ<i>N</i>^1^)dichloridocobalt(II)","","- C10 H12 Cl2 Co N4 -","- C10 H12 Cl1.954 Co0.973 N4 -","- C40 H48 Cl7.816 Co3.892 N16 -","4","0.5","YO3026","Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia","Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","399","406","10.1107/S2053229617004880","","","0.71073","MoKα","","0.1316","0.0616","","","0.1087","0.1432","","","","","","1.009","","","","has coordinates,has disorder","246151","2020-10-21","18:00:00",""
"2311883","10.5788","0.0011","6.2806","0.0005","15.8478","0.0019","90","","105.272","0.012","90","","1015.76","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C40 H44 Cu2 N8 O16 -","2","0.5","LF3053","Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ<sup>3</sup>O,N,O')copper(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","414","419","10.1107/S2053229617005976","","","0.71073","MoKα","","0.0943","0.0556","","","0.1017","0.1203","","","","","","1.027","","","","has coordinates","246152","2020-10-21","18:00:00",""
"2311884","4.7443","0.0003","39.332","0.002","6.7618","0.0004","90","","100.99","0.003","90","","1238.63","0.13","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-benzylnicotinamide","3-Aminocarbonyl-1-benzylpyridinium bromide","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","1.54178","CuKα","","0.0386","0.0377","","","0.0868","0.0873","","","","","","1.255","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311885","12.0186","0.0008","5.7435","0.0004","16.1124","0.0011","90","","94.474","0.001","90","","1108.83","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-benzyl-1,4-dihydronicotinamide","1-Benzyl-1,4-dihydropyridine-3-carboxamide","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","0.71073","MoKα","","0.0505","0.0436","","","0.1117","0.1179","","","","","","1.05","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311886","4.869","0.001","11.071","0.002","15.807","0.003","90","","90","","90","","852.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","aluminium dihydrogen arsenate dihydrogen diarsenate","Aluminium [dihydrogen arsenate(V)] dihydrogen diarsenate(V)","","- Al As3 H4 O11 -","- Al As3 H4 O11 -","- Al4 As12 H16 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.041","0.0276","","","0.0587","0.0623","","","","","","1.097","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311887","4.916","0.001","11.213","0.002","15.853","0.003","90","","90","","90","","873.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gallium dihydrogen arsenate dihydrogen diarsenate","Gallium dihydrogen arsenate(V) dihydrogen diarsenate(V)","","- As3 Ga H4 O11 -","- As3 Ga H3 O11 -","- As12 Ga4 H12 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0364","0.0309","","","0.0794","0.0818","","","","","","1.14","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311888","12.487","0.002","11.529","0.002","12.553","0.003","90","","101.4","0.03","90","","1771.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indum dihydrogen arsenate dihydrogen diarsenate","Diindium bis[dihydrogen arsenate(V)] bis[dihydrogen diarsenate(V)]","","- As6 H8 In2 O22 -","- As6 H5 In2 O22 -","- As24 H20 In8 O88 -","4","1","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0422","0.0338","","","0.0698","0.0718","","","","","","1.222","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311889","12.363","0.0004","12.6281","0.0005","16.3765","0.0006","89.948","0.003","95.46","0.003","96.455","0.003","2528.86","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-<i>n</i>-butylammonium) diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(II) 1.8-hydrate","","- C42 H83.6 Co N6 O11.8 -","- C42 H80 Co N6 O11.8 -","- C84 H160 Co2 N12 O23.6 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1078","0.0469","","","0.0951","0.1034","","","","","","1.033","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311890","13.1679","0.0012","9.3413","0.0009","16.3388","0.0014","90","","102.669","0.009","90","","1960.8","0.3","277","1","277","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1107","0.0549","","","0.1019","0.11","","","","","","1.021","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311891","12.9054","0.0008","9.3791","0.0008","16.129","0.0012","88.724","0.006","102.898","0.006","88.528","0.006","1901.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H48 Co N7 O11 -","- C72 H96 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1377","0.0949","","","0.2251","0.2481","","","","","","1.439","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311892","13.0259","0.0004","9.3504","0.0003","16.3308","0.0005","90","","103.847","0.003","90","","1931.24","0.11","220","1","220","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0587","0.048","","","0.1255","0.1294","","","","","","1.07","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311893","13.008","0.0008","9.332","0.0006","16.3753","0.0012","90","","104.364","0.007","90","","1925.7","0.2","170","1","170","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0847","0.0664","","","0.153","0.1646","","","","","","1.075","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311894","13.0155","0.0015","9.4028","0.0014","16.264","0.0017","88.794","0.011","103.054","0.009","88.687","0.011","1937.8","0.4","170","1","170","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0712","0.0617","","","0.1549","0.1608","","","","","","1.052","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311895","13.3664","0.0015","13.3664","0.0015","5.964","0.0009","90","","90","","120","","922.8","0.2","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","Triyttrium tetragold","","- Au4 Y3 -","- Au4 Y3 -","- Au24 Y18 -","6","0.333333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.0661","0.0471","","","0.0883","0.094","","","","","","1.036","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311896","12.5433","0.0017","12.5433","0.0017","9.1389","0.0014","90","","90","","120","","1245.2","0.3","293","2","293","2","","","","","","","","2","P 6/m","-P 6","175","","Tetradecayttrium henpentacontagold","","- Au51 Y14 -","- Au51 Y14 -","- Au51 Y14 -","1","0.0833333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.027","0.0223","","","0.0418","0.0437","","","","","","1.128","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311897","4.9221","0.0001","8.4974","0.0002","24.1323","0.0007","90","","91.61","0.001","90","","1008.94","0.04","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2-Difluoroethoxy)methyl]pyridinium iodide","","- C8 H10 F2 I N O -","- C8 H10 F2 I N O -","- C32 H40 F8 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0144","0.0141","","","0.0288","0.0289","","","","","","1.284","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311898","5.3299","0.0002","27.5016","0.0007","8.3227","0.0002","90","","91.813","0.002","90","","1219.34","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-[(3-Chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide","","- C9 H9 Cl F4 I N O -","- C9 H9 Cl F4 I N O -","- C36 H36 Cl4 F16 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0184","0.0179","","","0.0368","0.037","","","","","","1.199","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311899","5.9758","0.0005","36.456","0.003","24.363","0.002","90","","91.997","0.003","90","","5304.3","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C264 H216 Fe24 O36 -","12","3","YF3122","Tazi, Mehdi; Roisnel, Thierry; Mongin, Florence; Erb, William","Ferrocenecarboxylic anhydride: identification of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","760","766","10.1107/S205322961701124X","","","0.71073","MoKα","","0.0509","0.049","","","0.1181","0.1189","","","","","","1.106","","","","has coordinates","246158","2020-10-21","18:00:00",""
"2311900","7.8161","0.0002","11.3126","0.0003","12.2248","0.0003","116.339","0.0012","99.6342","0.0014","98.3722","0.0013","925","0.04","123","","123","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis({η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate","","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","1","0.5","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0262","0.0235","","","0.0601","0.0616","","","","","","1.052","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311901","20.361","0.003","8.9068","0.0011","24.876","0.003","90","","95.035","0.005","90","","4493.9","1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)","","- C18 H22 Br2 F8 N4 Pd -","- C18 H22 B1.9995 F7.998 N4 Pd -","- C144 H176 B15.996 F63.984 N32 Pd8 -","8","2","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0236","0.0224","","","0.0582","0.0591","","","","","","1.054","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311903","9.5439","0.0003","15.6588","0.0005","9.4887","0.0003","90","","109.927","0.001","90","","1333.15","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Diaminopyridine‒theophylline (1/1)","2,6-Diaminopyridine‒1,3-dimethyl-7<i>H</i>-purine-2,6-dione (1/1)","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C48 H60 N28 O8 -","4","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0396","0.0377","","","0.1059","0.1079","","","","","","1.052","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311904","15.0609","0.0002","5.0408","0.0001","16.0954","0.0002","90","","112.72","","90","","1127.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0235","0.0231","","","0.061","0.0613","","","","","","1.056","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311905","5.0506","0.0002","8.0441","0.0003","14.1954","0.0005","96.877","0.001","95.134","0.002","96.306","0.001","566.02","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C20 H18 N6 O6 S4 -","2","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0265","0.0263","","","0.0717","0.072","","","","","","1.088","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311906","7.8582","0.0006","6.1279","0.0004","24.4164","0.0017","90","","98.211","0.002","90","","1163.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0345","0.0344","","","0.0991","0.0991","","","","","","1.14","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311907","7.3654","0.0003","6.455","0.0002","25.8911","0.0009","90","","90.808","0.001","90","","1230.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O4 S2 -","- C10 H11 N3 O4 S2 -","- C40 H44 N12 O16 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0261","0.0259","","","0.0684","0.0686","","","","","","1.08","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311908","12.014","0.0008","13.8692","0.0009","15.7804","0.001","84.797","0.001","89.778","0.001","74.914","0.001","2527.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,2κ<i>O</i>-(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')bis(μ-phenylmethanolato-1:2κ^2^<i>O</i>:<i>O</i>)(tetrahydrofuran-2κ<i>O</i>)dimagnesium(II)","","- C52 H78 Mg2 O7 -","- C52 H78 Mg2 O7 -","- C104 H156 Mg4 O14 -","2","1","KY3130","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0641","0.0435","","","0.1049","0.1154","","","","","","1.025","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311909","23.1969","0.0017","11.2068","0.0008","24.388","0.0017","90","","100.344","0.001","90","","6236.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,3κ<i>O</i>- tetrakis(μ-2-methylphenolato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-bis(tetrahydrofuran)-1κ<i>O</i>,3κ<i>O</i>-trimagnesium(II)","","- C66 H90 Mg3 O8 -","- C66 H90 Mg3 O8 -","- C264 H360 Mg12 O32 -","4","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.07","0.0489","","","0.1302","0.1439","","","","","","1.024","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311910","8.959","0.0005","20.4643","0.0011","13.5552","0.0007","90","","94.318","0.0008","90","","2478.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II)","","- C42 H82 Mg4 N6 O8 -","- C42 H82 Mg4 N6 O8 -","- C84 H164 Mg8 N12 O16 -","2","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0495","0.0376","","","0.103","0.1109","","","","","","1.035","","","","has coordinates","246163","2020-10-21","18:00:00",""
"2311911","26.6774","0.0016","26.6774","0.0016","10.3451","0.0006","90","","90","","120","","6376.1","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","1-ethynyl-2-nitro-4,5-dipropoxybenzene","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C252 H306 N18 O72 -","18","1","FN3243","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0611","0.0468","","","0.1265","0.1381","","","","","","1.055","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311912","8.5209","0.0005","18.0914","0.001","9.9579","0.0005","90","","97.967","0.001","90","","1520.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dibutoxy-4-ethynyl-5-nitrobenzene","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0665","0.0413","","","0.0922","0.1029","","","","","","1.022","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311913","4.57","0.004","9.415","0.008","20.968","0.018","94.003","0.012","90.758","0.012","93.435","0.011","898.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-ethynyl-2-nitro-4,5-bis-pentoxybenzene","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.1465","0.0852","","","0.2308","0.2621","","","","","","1.03","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311914","8.4533","0.0002","10.238","0.0003","10.2552","0.0002","90","","107.881","0.001","90","","844.66","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","CU3117","Maia, Angélica Faleiros da Silva; Martins, Felipe T.; Silva Neto, Leonardo da; Alves, Rosemeire Brondi; De Fátima, Ângelo","Cocaethylene, the in vivo product of cocaine and ethanol, is a narcotic more potent than its precursors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","780","783","10.1107/S2053229617012852","","","1.54178","CuKα","","0.0374","0.0358","","","","0.1011","","","","","","1.027","","","","has coordinates","246165","2020-10-21","18:00:00",""
"2311915","16.9491","0.0005","12.3954","0.0004","30.5023","0.0009","90","","105.11","0.0004","90","","6186.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 Cl Nd O14 P2 -","- C54 H92 Cl Nd O14 P2 -","- C216 H368 Cl4 Nd4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0403","0.0343","","","0.0845","0.0875","","","","","","1.056","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311916","16.877","0.002","12.443","0.0017","30.404","0.004","90","","104.231","0.002","90","","6188.9","1.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)lutetium methanol disolvate","","- C54 H92 Cl Lu O14 P2 -","- C54 H92 Cl Lu O14 P2 -","- C216 H368 Cl4 Lu4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0279","0.0249","","","0.0592","0.0604","","","","","","1.048","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311917","16.9203","0.0005","12.3877","0.0004","30.3676","0.001","90","","104.708","0.001","90","","6156.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)yttrium methanol disolvate","","- C54 H92 Cl O14 P2 Y -","- C54 H92 Cl O14 P2 Y -","- C216 H368 Cl4 O56 P8 Y4 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0602","0.039","","","0.0883","0.0954","","","","","","1.017","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311918","16.7581","0.0011","12.5821","0.0009","30.732","0.002","90","","104.876","0.001","90","","6262.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]tetrakis(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 N Nd O17 P2 -","- C54 H92 N Nd O17 P2 -","- C216 H368 N4 Nd4 O68 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0611","0.0438","","","0.0953","0.1014","","","","","","1.075","","","","has coordinates,has disorder","246166","2020-10-21","18:00:00",""
"2311919","7.811","0.004","17.951","0.009","11.405","0.006","90","","92.36","0.02","90","","1597.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0462","0.0396","","","0.0975","0.1015","","","","","","1.086","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311920","31.172","0.016","10.039","0.006","17.861","0.01","90","","123.334","0.014","90","","4670","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-{5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl}-1-(4-bromophenyl)prop-2-en-1-one","","- C27 H24 Br N3 O -","- C27 H24 Br N3 O -","- C216 H192 Br8 N24 O8 -","8","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0754","0.0455","","","0.0957","0.1113","","","","","","1.013","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311921","11.321","0.005","21.572","0.013","9.55","0.005","90","","97.711","0.018","90","","2311","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-5'-[Benzyl(methyl)amino]-3'-methyl-1',5-diphenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]-2-carbaldehyde","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0482","0.0398","","","0.0941","0.0991","","","","","","1.063","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311922","9.363","0.006","28.238","0.018","10.775","0.007","90","","97.04","0.02","90","","2827","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3<i>RS</i>)-2-acetyl-5'-[Benzyl(methyl)amino]- 5-(4-methoxyphenyl)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole] ethanol 0.945-solvate","","- C31.89 H36.67 N5 O2.95 -","- C31.89 H36.67 N5 O2.945 -","- C127.56 H146.68 N20 O11.78 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0542","0.0423","","","0.098","0.1041","","","","","","1.078","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311923","8.6692","0.0017","21.933","0.004","11.12","0.002","90","","110.77","0.03","90","","1977","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]","","- C20 H18 Cd N4 O5 -","- C20 H18 Cd N4 O5 -","- C80 H72 Cd4 N16 O20 -","4","1","","Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru","A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","828","832","10.1107/S2053229617013080","","","0.71073","MoKα","","0.0299","0.028","","","0.0557","0.0568","","","","","","1.097","","","","has coordinates","246168","2020-10-21","18:00:00",""
"2311924","4.8622","0.0003","6.9718","0.0004","10.1539","0.0005","90","","98.727","0.003","90","","340.21","0.03","123","","123","","","","","","","","","4","P 1 c 1","P -2yc","7","","Hydroxytropylium chloride","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C14 H14 Cl2 O2 -","2","1","FP3042","Jandl, Christian; Pöthig, Alexander","Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","810","813","10.1107/S2053229617013183","","","0.71073","MoKα","","0.0213","0.0212","","","0.0585","0.0587","","","","","","1.036","","","","has coordinates","246169","2020-10-21","18:00:00",""
"2311925","9.7575","0.0003","11.0792","0.0003","15.5286","0.0004","88.733","0.001","83.753","0.001","66.337","0.001","1528.02","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,3-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C56 H52 Cl8 N4 O16 S4 -","4","2","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0333","0.0328","","","0.0903","0.0909","","","","","","1.03","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311926","7.4855","0.0005","8.1175","0.0006","13.9643","0.001","98.151","0.002","95.566","0.002","114.952","0.002","749.84","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,4-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C28 H26 Cl4 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0348","0.034","","","0.0989","0.1001","","","","","","1.018","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311927","8.2859","0.0014","8.7197","0.0015","12.232","0.002","70.522","0.005","80.171","0.005","78.856","0.005","812.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,4-Dimethylphenyl)-2,5-dimethoxybenzenesulfonamide","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C32 H38 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0438","0.043","","","0.1346","0.1366","","","","","","0.986","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311928","8.6181","0.0006","12.8068","0.0009","16.7622","0.0012","85.5267","0.0009","79.0539","0.001","80.1701","0.001","1787.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","a","3,5-Dichloropyridinium tetrachloridozincate(II)","","- C10 H8 Cl8 N2 Zn -","- C10 H8 Cl8 N2 Zn -","- C40 H32 Cl32 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0341","0.0286","","","0.0719","0.0745","","","","","","1.011","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311929","8.8739","0.0015","13.469","0.002","17.284","0.003","79.539","0.003","78.468","0.002","76.968","0.002","1951.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","b","3,5-Dichloropyridinium tetrabromidozincate(II)","","- C10 H8 Br4 Cl4 N2 Zn -","- C10 H8 Br4 Cl4 N2 Zn -","- C40 H32 Br16 Cl16 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0683","0.0464","","","0.1065","0.1161","","","","","","1.015","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311930","8.8698","0.0009","13.4808","0.0013","17.2853","0.0017","79.5702","0.0015","78.4951","0.0014","76.8616","0.0014","1952.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","c","3,5-Dichloropyridinium tetrabromidocobaltate(II)","","- C10 H8 Br4 Cl4 Co N2 -","- C10 H8 Br4 Cl4 Co N2 -","- C40 H32 Br16 Cl16 Co4 N8 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0573","0.0384","","","0.0816","0.088","","","","","","1.01","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311931","10.419","0.002","13.496","0.002","6.669","0.002","90","","90","","90","","937.8","0.4","298","2","298","2","","","","","","","","6","I m m a","-I 2b 2","74","","Sodium calcium trinickel aluminium triarsenate","","- Al0.46 As3 Ca0.77 Na Ni2.54 O12 -","- Al0.457 As3 Ca0.774 Na Ni2.543 O12 -","- Al1.828 As12 Ca3.096 Na4 Ni10.172 O48 -","4","0.25","SK3667","Ben Smail, Ridha; Zid, Mohamed Faouzi","An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","896","904","10.1107/S2053229617013213","","","0.71073","MoKα","","0.0227","0.0196","","","0.0565","0.0579","","","","","","1.13","","","","has coordinates","246172","2020-10-21","18:00:00",""
"2311932","26.022","0.009","7.41","0.003","6.531","0.002","90","","94.377","0.011","90","","1255.7","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Me","4,4'-Bis[5-(methoxycarbonyl)pentyloxy]biphenyl","","- C26 H34 O6 -","- C26 H34 O6 -","- C52 H68 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1227","0.0806","","","0.2295","0.2644","","","","","","1.043","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311933","26.594","0.007","7.5344","0.0017","6.5302","0.0014","90","","95.872","0.008","90","","1301.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Et","4,4'-Bis[5-(ethoxycarbonyl)pentyloxy]biphenyl","","- C28 H38 O6 -","- C28 H38 O6 -","- C56 H76 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1204","0.0725","","","0.1958","0.2322","","","","","","1.055","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311934","11.8775","0.0009","13.3374","0.0009","13.9741","0.0009","66.056","0.003","73.926","0.003","65.297","0.003","1822.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{μ-calix[2]imidazolium[2]imidazolylidene[2]pyrazolate}trinickel(II) tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","1","0.5","FP3043","Altmann, Philipp J.; Ehrenreich, Michael; Pöthig, Alexander","A hybrid imidazolylidene/imidazolium nickel NHC complex: an isolated intermediate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","880","884","10.1107/S2053229617013250","","","0.71073","MoKα","","0.066","0.0407","","","0.0853","0.0943","","","","","","1.024","","","","has coordinates","246174","2020-10-21","18:00:00",""
"2311935","13.4659","0.0006","11.0854","0.0006","10.7955","0.0006","90","","106.271","0.005","90","","1546.95","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromoperfluorobutane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C10 H12 Br2 F8 N2 -","- C10 H12 Br2 F8 N2 -","- C40 H48 Br8 F32 N8 -","4","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0652","0.0408","","","0.0554","0.0644","","","","","","0.934","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311936","6.0096","0.0004","10.4941","0.0008","14.5016","0.0011","92.051","0.006","101.375","0.006","90.507","0.006","895.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Dibromoperfluorohexane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C12 H12 Br2 F12 N2 -","- C12 H12 Br2 F12 N2 -","- C24 H24 Br4 F24 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0694","0.0493","","","0.0961","0.1042","","","","","","1.128","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311937","6.03367","0.00019","10.4836","0.0005","16.4471","0.0009","88.785","0.004","84.126","0.003","89.724","0.003","1034.66","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","1,8-Dibromoperfluorooctane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C14 H12 Br2 F16 N2 -","- C14 H12 Br2 F16 N2 -","- C28 H24 Br4 F32 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0679","0.0497","","","0.1133","0.1222","","","","","","1.069","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311938","12.946","0.003","12.568","0.003","11.044","0.002","90","","115.18","0.03","90","","1626.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetrakis(μ-4-azaniumylbutanoato-\ κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-\ μ-chlorido-[diaquadichloridocopper(II)]-μ-chlorido] bis(perchlorate)]","","- C16 H40 Cl6 Cu3 N4 O18 -","- C16 H40 Cl6 Cu3 N4 O18 -","- C32 H80 Cl12 Cu6 N8 O36 -","2","0.5","YF3125","Bouheroum, Sofiane; Cherouana, Aouatef; Beghidja, Adel; Dahaoui, Slimane; Rabu, Pierre","A new copper(II) coordination polymer containing chains of interconnected paddle-wheel antiferromagnetic clusters.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1050","1055","10.1107/S2053229617013766","","","0.71073","MoKα","","0.0588","0.0436","","","0.1046","0.1094","","","","","","0.994","","","","has coordinates","246176","2020-10-21","18:00:00",""
"2311939","9.218","0.0009","17.4137","0.0018","12.1884","0.0012","90","","100.992","0.004","90","","1920.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pd -","- C16 H14 Cl2 F6 N2 O2 Pd -","- C64 H56 Cl8 F24 N8 O8 Pd4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0537","0.0483","","","0.1332","0.1359","","","","","","1.85","","","","has coordinates,has disorder","246177","2020-10-21","18:00:00",""
"2311940","9.274","0.003","17.393","0.006","12.319","0.004","90","","100.352","0.014","90","","1954.7","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pt -","- C16 H14 Cl2 F6 N2 O2 Pt -","- C64 H56 Cl8 F24 N8 O8 Pt4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.097","0.0645","","","0.159","0.1861","","","","","","1.091","","","","has coordinates,has disorder","246178","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311943","24.39","0.003","11.871","0.0015","16.048","0.002","90","","96.325","0.004","90","","4618.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]","","- C38 H46 Cu N14 O15 S2 -","- C38 H46 Cu N14 O15 S2 -","- C152 H184 Cu4 N56 O60 S8 -","4","1","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0982","0.0612","","","0.1569","0.1792","","","","","","1.037","","","","has coordinates","246180","2020-10-21","18:00:00",""
"2311944","13.4947","0.0016","10.1948","0.0011","18.8909","0.0016","90","","134.327","0.005","90","","1859.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-2-amino-4-sulfonatobenzoato-κ^3^<i>O</i>^4^:<i>N</i>,<i>O</i>^4'^)tetraaqua[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]dicopper(II)] tetrahydrate]","","- C28 H40 Cu2 N6 O18 S2 -","- C28 H40 Cu2 N6 O18 S2 -","- C56 H80 Cu4 N12 O36 S4 -","2","0.5","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0733","0.0424","","","0.0848","0.0939","","","","","","1.019","","","","has coordinates,has disorder","246180","2020-10-21","18:00:00",""
"2311945","4.1043","0.0002","11.0458","0.0004","12.0465","0.0004","90","","93.74","0.003","90","","544.97","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-thiouracil","2-Thiouracil","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","KU3205","Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir","Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1078","1086","10.1107/S205322961701542X","","","0.71073","MoKα","","0.0364","0.0297","","","0.0755","0.0807","","","","","","1.049","","","","has coordinates","246181","2020-10-21","18:00:00",""
"2311946","12.4912","0.0005","12.4912","0.0005","7.4526","0.0003","90","","90","","120","","1007.04","0.07","296","","296","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxotungstate)","","- Ag K7 O16 W4 -","- Ag K7 O16 W4 -","- Ag2 K14 O32 W8 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.64","","","","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311947","12.4188","0.0002","12.4188","0.0002","7.4338","0.0002","90","","90","","120","","992.89","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxomolybdate)","","- Ag1.32 K6.68 Mo4 O16 -","- Ag1.318 K6.682 Mo4 O16 -","- Ag2.636 K13.364 Mo8 O32 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","","","0.71073","MoKα","","0.0181","0.0179","","","0.0402","0.0403","","","","","","1.12","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311948","6.9085","0.0002","8.4524","0.0002","17.9702","0.0005","101.801","0.0016","92.711","0.0016","109.829","0.0014","958.47","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium 4-hydroxy-3,5-dimethoxybenzoate monohydrate","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C34 H42 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0729","0.0526","","","0.1536","0.1674","","","","","","1.055","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311949","7.244","0.0003","17.1615","0.0005","7.2706","0.0002","90","","98.806","0.002","90","","893.21","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium (<i>E</i>)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C18 H23 N O8 -","- C18 H23 N O8 -","- C36 H46 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0508","0.04","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311950","9.188","0.005","9.308","0.005","10.887","0.005","113.56","0.02","90.782","0.018","116.173","0.016","745.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(2-Bromophenyl)-2-(1-methyl-1<i>H</i>-indole-3-carbonyl)acrylonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C38 H26 Br2 N4 O2 -","2","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.022","0.0199","","","0.0477","0.0486","","","","","","1.066","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311951","13.728","0.006","14.901","0.006","15.507","0.006","90","","92.165","0.019","90","","3170","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>)-2-(2-Bromobenzyl)-3-(1-methyl-1<i>H</i>-indol-3-yl)-\ 3-oxopropanenitrile","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0612","0.0341","","","0.0633","0.0721","","","","","","1.052","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311952","10.912","0.004","12.544","0.008","15.583","0.007","89.23","0.04","79.49","0.03","73.2","0.03","2006","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>)-3-(1-benzyl-1<i>H</i>-indol-3-yl)-\ 2-(2-bromobenzyl)-3-oxopropanenitrile","","- C25 H19 Br N2 O -","- C25 H19 Br N2 O -","- C100 H76 Br4 N8 O4 -","4","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0695","0.0415","","","0.0747","0.0838","","","","","","1.023","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311953","19.406","0.009","8.773","0.004","23.028","0.009","90","","103.318","0.015","90","","3815","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(1-Acetyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl acetate","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C176 H136 Br8 N16 O24 -","8","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0756","0.0558","","","0.1216","0.1355","","","","","","1.082","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311954","14.886","0.004","8.129","0.003","21.432","0.006","90","","104.638","0.012","90","","2509.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl benzoate","","- C32 H23 Br N2 O2 -","- C32 H23 Br N2 O2 -","- C128 H92 Br4 N8 O8 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0494","0.0359","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311955","10.986","0.004","8.977","0.004","13.209","0.005","90","","97.14","0.017","90","","1292.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Benzoyl-3-(2-bromophenyl)acrylonitrile","","- C16 H10 Br N O -","- C16 H10 Br N O -","- C64 H40 Br4 N4 O4 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0254","0.0217","","","0.0511","0.0528","","","","","","1.108","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311956","13.5451","0.0018","13.889","0.0019","14.4514","0.0012","94.449","0.003","92.316","0.003","119.009","0.004","2361","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-<i>n</i>-butylammonium [bis(μ~2~-dimethyldithiocarbamato)dodeca-μ~3~-iodido-hexa-μ~2~-iodido-tetracopper(I)copper(II)hexalead(II)]]","","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","1","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.0847","0.0544","","","0.1138","0.1277","","","","","","1.071","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311957","17.5853","0.0009","18.1041","0.0008","13.0705","0.0006","90","","128.789","0.005","90","","3243.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[μ~3~-iodido-tri-μ~2~-iodido-iodido[bis(1,10-phenanthroline)copper(I)]copper(I)copper(II)lead(II)] hemiiodine]","","- C24 H16 Cu2 I6 N4 Pb -","- C24 H16 Cu2.0002 I6 N4 Pb -","- C96 H64 Cu8.0008 I24 N16 Pb4 -","4","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.063","0.0393","","","0.0759","0.0856","","","","","","1.006","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311958","7.1681","0.00008","9.28821","0.0001","13.42132","0.00015","88.3124","0.0005","85.6481","0.0005","69.7508","0.0005","835.927","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide benzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide benzene hemisolvate","","- C16 H9 Cl5 N O3 -","- C16 H9 Cl5 N O3 -","- C32 H18 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0543","0.0473","","","0.121","0.1243","","","","","","1.148","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311959","7.12429","0.00008","9.40484","0.00011","14.27988","0.00016","83.7014","0.0005","80.0916","0.0005","67.8388","0.0004","871.84","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide xylene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate","","- C17 H11 Cl5 N O3 -","- C17 H11 Cl5 N O3 -","- C34 H22 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0414","0.0362","","","0.0841","0.0865","","","","","","1.122","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311960","6.92017","0.00008","9.71946","0.00011","13.98498","0.00017","86.3845","0.0005","85.4687","0.0005","65.8069","0.0005","854.849","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide toluene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate","","- C16.5 H10 Cl5 N O3 -","- C16.5 H10 Cl5 N O3 -","- C33 H20 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0397","0.0361","","","0.1003","0.1028","","","","","","1.068","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311961","6.90927","0.00008","9.69846","0.0001","13.97198","0.00015","86.5557","0.0005","85.9678","0.0005","65.8305","0.0005","851.561","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide chlorobenzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide chlorobenzene hemisolvate","","- C16 H8.5 Cl5.5 N O3 -","- C16 H8.5 Cl5.5 N O3 -","- C32 H17 Cl11 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.036","0.0301","","","0.073","0.0757","","","","","","1.096","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311962","3.72856","0.00013","18.8381","0.0004","9.1981","0.0002","90","","101.337","0.003","90","","633.46","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~2~-2,2'-bipyridyl-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-gold(I)potassium(I)]","","- C12 H8 Au K N4 -","- C12 H8 Au K N4 -","- C24 H16 Au2 K2 N8 -","2","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0168","0.0153","","","0.029","0.0296","","","","","","1.056","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311963","41.202","0.003","3.67714","0.00016","19.5967","0.0014","90","","116.232","0.009","90","","2663.2","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-(μ~2~-1,10-phenanthroline-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)gold(I)potassium(I)]","","- C14 H8 Au K N4 -","- C14 H8 Au K N4 -","- C112 H64 Au8 K8 N32 -","8","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0794","0.0329","","","0.034","0.0367","","","","","","0.74","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311964","4.6448","0.001","15.632","0.003","14.13","0.003","90","","91.632","0.01","90","","1025.5","0.4","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-1<i>H</i>-purin-6-one","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","QP3002","Roque-Flores, Roxana L; Guzei, Ilia A.; Matos, Jivaldo do Rosario; Yu, Lian","Polymorphs of the antiviral drug ganciclovir.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1116","1120","10.1107/S2053229617016059","","","0.71073","MoKα","","0.0621","0.0535","","","0.1455","0.151","","","","","","1.022","","","","has coordinates","246188","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","246189","2020-10-21","18:00:00",""
"2311966","12.8","0.004","12.511","0.005","18.638","0.005","90","","99.325","0.012","90","","2945.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-1',2'-Bis(4-chlorobenzoyl)-5,7-dichloro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine] dichloromethane 0.981-solvate","","- C28.981 H21.962 Cl5.962 N2 O3 -","- C28.981 H21.962 Cl5.962 N2 O3 -","- C115.924 H87.848 Cl23.848 N8 O12 -","4","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0319","0.0279","","","0.0671","0.0694","","","","","","1.038","","","","has coordinates,has disorder","246189","2020-10-21","18:00:00",""
"2311967","11.0485","0.0006","16.0249","0.0008","16.4318","0.0007","100.824","0.004","103.574","0.004","102.737","0.004","2668.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(isoquinolin-2-ium-4-yl)-2,2':6',2'-terpyridine-1,1''-diium] tris[tetrachloridozincate(II)] monohydrate","","- C48 H40 Cl12 N8 O Zn3 -","- C48 H40 Cl12 N8 O Zn3 -","- C96 H80 Cl24 N16 O2 Zn6 -","2","1","JX3001","Granifo, Juan; Suárez, Sebastián; Boubeta, Fernando; Baggio, Ricardo","Crystallographic and computational study of a network composed of [ZnCl<sub>4</sub>]<sup>2-</sup> anions and triply protonated 4'-functionalized terpyridine cations.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1121","1130","10.1107/S2053229617016308","","","0.71073","MoKα","","0.0689","0.0427","","","0.0798","0.0924","","","","","","0.926","","","","has coordinates","246190","2020-10-21","18:00:00",""
"2311968","9.1277","0.001","13.5001","0.0016","14.6344","0.0017","113.316","0.003","103.239","0.003","100.711","0.003","1533","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis{[1-(cyclohepta-2,4,6-trien-2-yl-1-ylidene-κ<i>C</i>^1^)-3-(2,6-diisopropylphenyl)imidazol-4-in-2-ylidene]palladium(II)} bis(pentaiodide) dichloromethane monosolvate","","- C45 H50 Br2 Cl2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","1","0.5","OV3101","Jandl, Christian; Pöthig, Alexander","Dimerization of a mixed-carbene Pd<sup>II</sup> dibromide complex by elemental iodine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1131","1136","10.1107/S2053229617016412","","","0.71073","MoKα","","0.0285","0.0233","","","0.0491","0.0509","","","","","","1.072","","","","has coordinates","246191","2020-10-21","18:00:00",""
"2311969","22.622","0.0004","7.1937","0.0002","13.5315","0.0007","90","","103.499","0.002","90","","2141.23","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium pyridine-2-carboxylate","","- C22 H24 Cl N5 O4 -","- C22 H24 Cl N5 O4 -","- C88 H96 Cl4 N20 O16 -","4","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","0.71073","MoKα","","0.064","0.0434","","","0.0935","0.1027","","","","","","1.022","","","","has coordinates","246192","2020-10-21","18:00:00",""
"2311970","7.8667","0.0004","11.9015","0.0007","14.4406","0.0009","66.859","0.006","85.085","0.004","81.332","0.005","1228.51","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium 2-(4-nitrophenyl)acetate","","- C24 H26 Cl N5 O6 -","- C24 H26 Cl N5 O6 -","- C48 H52 Cl2 N10 O12 -","2","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","1.54184","CuKα","","0.0906","0.0675","","","0.1888","0.2227","","","","","","1.026","","","","has coordinates,has disorder","246192","2020-10-21","18:00:00",""
"2311971","10.0831","0.0001","17.4525","0.0002","7.6133","0.0001","90","","99.48","0.001","90","","1321.46","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetone thiosemicarbazone-κ^2^<i>N</i>^1^,<i>S</i>)bis(isothiocyanato-κ<i>N</i>)zinc(II) monohydrate","","- C6 H11 N5 O S3 Zn -","- C6 H11 N5 O S3 Zn -","- C24 H44 N20 O4 S12 Zn4 -","4","1","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","1.54184","CuKα","","0.0275","0.0252","","","0.0674","0.0688","","","","","","1.055","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311972","21.8246","0.0008","5.0239","0.0002","21.6451","0.0008","90","","90.074","0.004","90","","2373.27","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(urea-κ<i>O</i>)zinc(II) tetrakis(isothiocyanato-κ<i>N</i>)zinc(II)","","- C8 H20 N12 O6 S4 Zn2 -","- C8 H20 N12 O6 S4 Zn2 -","- C32 H80 N48 O24 S16 Zn8 -","4","0.5","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","0.71073","MoKα","","0.0196","0.018","","","0.0488","0.0494","","","","","","1.063","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311973","7.9565","0.0003","8.5027","0.0003","11.0842","0.0003","77.857","0.003","76.632","0.003","62.158","0.004","640.51","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","FN3250","Suárez, Sebastián; Manzano, Veronica E.; Fantoni, Adolfo C.; Halac, Emilia; Baggio, Ricardo; Cukiernik, Fabio D.","A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1137","1143","10.1107/S2053229617016795","","","0.71073","MoKα","","0.0518","0.04","","","0.1023","0.1108","","","","","","1.019","","","","has coordinates","246194","2020-10-21","18:00:00",""
"2311974","7.356","0.0009","11.589","0.0015","12.0655","0.0015","73.757","0.002","88.232","0.002","83.876","0.002","981.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(4,4'-oxydibenzoato-κ<i>O</i>)cobalt(II) dihydrate","","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","1","0.5","SK3675","Atria, Ana María; Parada, José; Moreno, Yanko; Suárez, Sebastián; Baggio, Ricardo; Peña, Octavio","Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN<sup>9</sup>)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","37","44","10.1107/S2053229617016916","","","0.71073","MoKα","","0.0373","0.034","","","0.0844","0.0869","","","","","","1.031","","","","has coordinates","246195","2020-10-21","18:00:00",""
"2311975","11.965","0.005","12.595","0.002","13.667","0.003","114.497","0.003","106.139","0.004","93.912","0.004","1760.2","0.9","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","2","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0626","0.0322","","","0.0732","0.0804","","","","","","0.926","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311976","9.082","0.002","13.024","0.003","14.266","0.003","90","","101.467","0.003","90","","1653.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>Z</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(<i>Z</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","1","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0484","0.0299","","","0.0691","0.0752","","","","","","1.036","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311977","9.637","0.003","5.564","0.005","13.763","0.002","90","","103.497","0.006","90","","717.6","0.7","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.0226","0.0175","","","0.0454","0.0481","","","","","","1.18","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311978","9.627","0.003","5.558","0.005","13.732","0.002","90","","103.514","0.006","90","","714.4","0.7","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.018","0.0156","","","0.0422","0.0432","","","","","","1.01","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311979","8.5852","0.0002","17.0639","0.0004","5.9883","0.0002","90","","106.936","0.003","90","","839.22","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentachloropyridine <i>N</i>-oxide","","- C5 Cl5 N O -","- C5 Cl5 N O -","- C20 Cl20 N4 O4 -","4","1","UK3147","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide-N-oxide interactions and Cl...Cl halogen bonds in pentachloropyridine N-oxide: the many-body approach to interactions in the crystal state.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","113","119","10.1107/S2053229617017922","","","1.54184","CuKα","","0.0364","0.0316","","","0.0816","0.0848","","","","","","1.037","","","","has coordinates","246198","2020-10-21","18:00:00",""
"2311980","5.4214","0.0007","5.4214","0.0007","5.4214","0.0007","90","","90","","90","","159.34","0.04","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Ce0.8 Ga0.1 Ho0.1 O1.9","Cerium gadolinium holmium oxide","","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce3.2 Gd0.4 Ho0.4 O7.6 -","4","0.0208333","SK3674","Rahayu, Sri; Forrester, Jennifer S.; Kale, Girish M.; Ghadiri, Mojtaba","Promising solid electrolyte material for an IT-SOFC: crystal structure of the cerium gadolinium holmium oxide Ce<sub>0.8</sub>Gd<sub>0.1</sub>Ho<sub>0.1</sub>O<sub>1.9</sub> between 295 and 1023 K.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","236","239","10.1107/S2053229617017946","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.19","","","","","","","has coordinates","246227","2020-10-21","18:00:00",""
"2311981","9.637","0.0009","18.0065","0.0018","12.4723","0.0013","90","","109.396","0.003","90","","2041.5","0.4","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C20 H20 N4 Ni O4 S -","- C20 H20 N4 Ni O4 S -","- C80 H80 N16 Ni4 O16 S4 -","4","1","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.044","0.0345","","","0.0848","0.0927","","","","","","1.085","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311982","9.0147","0.0004","18.5456","0.0007","9.6355","0.0004","90","","108.191","0.001","90","","1530.38","0.11","200","2","200.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>-bis[tris(pyridine-κ<i>N</i>)copper(II)]","","- C30 H30 Cu2 N6 O8 S2 -","- C30 H30 Cu2 N6 O8 S2 -","- C60 H60 Cu4 N12 O16 S4 -","2","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0264","0.0218","","","0.0524","0.0546","","","","","","1.061","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311983","10.5383","0.001","10.5383","0.001","26.135","0.003","90","","90","","120","","2513.6","0.4","200","2","200","","","","","","","","","6","P 31 2 1","P 31 2""","152","","<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H30 N6 O8 S2 Zn2 -","- C30 H30 N6 O8 S2 Zn2 -","- C90 H90 N18 O24 S6 Zn6 -","3","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0196","0.0177","","","0.0445","0.0453","","","","","","1.005","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311984","15.527","0.0005","7.46802","0.00001","17.0254","0.0005","90","","116.528","0.004","90","","1766.35","0.1","105","2","105","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","3,4-Dimethylpyridine‒3,4-dimethylpyridinium diiodidoaurate(I)","","- C14 H19 Au I2 N2 -","- C14 H19 Au I2 N2 -","- C56 H76 Au4 I8 N8 -","4","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.027","0.0207","","","0.0396","0.0411","","","","","","1.098","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311985","7.7528","0.0002","14.5978","0.0005","14.4806","0.0004","90","","102.552","0.003","90","","1599.66","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0343","0.0265","","","0.0458","0.0482","","","","","","1.034","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311986","7.741","0.0002","14.6209","0.0003","14.0721","0.0006","90","","92.155","0.003","90","","1591.56","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0422","0.0359","","","0.0781","0.0806","","","","","","1.107","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311987","7.1692","0.0003","14.2434","0.0006","14.7445","0.0006","90","","90","","90","","1505.62","0.11","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","Dipyridinegold(I) diiodidoaurate(I)","","- C10 H10 Au2 I2 N2 -","- C10 H10 Au2 I2 N2 -","- C40 H40 Au8 I8 N8 -","4","0.5","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0305","0.0251","","","0.0532","0.0555","","","","","","1.072","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311988","7.252","0.0003","19.7485","0.001","14.0347","0.0006","90","","95.058","0.002","90","","2002.17","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-3-(4-methylphenyl)-1-phenylallylidene]hydrazine","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C88 H72 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0906","0.0556","","","0.1431","0.17","","","","","","1.063","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311989","7.3922","0.0004","20.9233","0.0014","14.7828","0.0009","90","","100.571","0.002","90","","2247.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-[(<i>E</i>)-3-(4-Chlorophenyl)-1-(naphthalen-1-yl)allylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C25 H17 Cl N4 O4 -","- C25 H17 Cl N4 O4 -","- C100 H68 Cl4 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0935","0.0525","","","0.1418","0.1665","","","","","","1.022","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311990","25.1247","0.0008","10.7583","0.0003","18.5442","0.0005","90","","121.835","0.003","90","","4258.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1D-octamolybdate Chain","Tris(triethylaminium) hemi(dopentacontaoxidopotassiohexadecamolybdate) monohydrate","","- C18 H50 K Mo8 N3 O27 -","- C18 H50 K Mo8 N3 O27 -","- C72 H200 K4 Mo32 N12 O108 -","4","0.5","JR3006","Paul, Shounik; Sreejith, S. S.; Roy, Soumyajit","pH-induced phase transition and crystallization of soft-oxometalates (SOMs) into polyoxometalates (POMs): a study on crystallization from colloids.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 11","1274","1283","10.1107/S2053229618007143","","","0.71073","MoKα","","0.0261","0.0229","","","0.0549","0.0564","","","","","","1.063","","","","has coordinates,has disorder","246231","2020-10-21","18:00:00",""
"2311991","10.265","0.0006","8.0342","0.0005","23.4156","0.0013","90","","102.512","0.006","90","","1885.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0672","0.0479","","","0.1215","0.1359","","","","","","1.02","","","","has coordinates","246232","2020-10-21","18:00:00",""
"2311992","10.2458","0.0004","8.007","0.0002","23.3695","0.0008","90","","102.461","0.003","90","","1872.03","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0946","0.0701","","","0.1833","0.2103","","","","","","0.986","","","","has coordinates,has disorder","246232","2020-10-21","18:00:00",""
"2311993","23.1577","0.0011","6.49992","0.00021","6.49067","0.00021","90","","99.6112","0.0029","90","","963.28","0.06","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","lithium rubidium hydrogen citrate hydrate","lithium rubidium hydrogen citrate hydrate","","- C6 H8 Li O8 Rb -","- C6 H8 Li O8 Rb -","- C24 H32 Li4 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","0.06191","","2.22","","","","","","","has coordinates","246233","2020-10-21","18:00:00",""
"2311994","6.5872","0.0008","6.2997","0.0008","9.8321","0.0009","93.898","0.01","106.056","0.009","97.624","0.008","386.27","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","dilithium hydrogen citrate","","","- C6 H6 Li2 O7 -","- C6 H6 Li2 O7 -","- C12 H12 Li4 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.262","","3.08","","","","","","","has coordinates","246234","2020-10-21","18:00:00",""
"2311995","6.5811","0.0004","6.357","0.0004","9.9389","0.0005","91.762","0.005","104.388","0.005","97.438","0.004","398.52","0.04","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium sodium hydrogen citrate","lithium sodium hydrogen citrate","","- C6 H6 Li Na O7 -","- C6 H6 Li Na O7 -","- C12 H12 Li2 Na2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.14161","","2.05","","","","","","","has coordinates","246235","2020-10-21","18:00:00",""
"2311996","6.2771","0.0006","6.3166","0.0006","10.8323","0.0006","93.054","0.007","102.747","0.008","96.054","0.004","415.28","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium potassium hydrogen citrate","lithium potassium hydrogen citrate","","- C6 H6 K Li O7 -","- C6 H6 K Li O7 -","- C12 H12 K2 Li2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.07603","","2.36","","","","","","","has coordinates","246236","2020-10-21","18:00:00",""
"2311997","16.7989","0.0006","17.0054","0.0007","22.1341","0.0007","78.897","0.002","100.411","0.004","90.042","0.003","6098.8","0.4","150","2","150","2","","","","","","","","5","B -1","-B 1","2","","13-Chloro-2-(2-chlorophenyl)-3-oxa-6,9-diazatricyclo[8.4.0.0^2,6^]tetradeca-1(10),11,13-trien-8-one","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C272 H224 Cl32 N32 O32 -","16","4","","Garraza, María Soledad; Gimenez, María Emilia; Vega, Daniel Roberto; Baggio, Ricardo","Crystal structure and pseudosymmetry analysis of the triclinic prodrug cloxazolam (Z' = 4).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 7","851","858","10.1107/S2053229619008404","","","0.71073","MoKα","","0.1159","0.0574","","","0.108","0.1253","","","","","","1.12","","","","has coordinates","246238","2020-10-21","18:00:00",""
"2311998","27.194","0.003","27.194","0.003","7.6221","0.0008","90","","90","","120","","4881.5","0.9","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","<i>catena</i>-Poly[tris{μ~2~-3-carboxy-2,3-bis[(4-methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)]","","- C63 H63 Eu O27 -","- C63 H63 Eu O27 -","- C189 H189 Eu3 O81 -","3","0.333333","FN3316","Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li","Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1220","1227","10.1107/S205322961901060X","","","0.71073","MoKα","","0.0489","0.0397","","","0.0708","0.0746","","","","","","1.056","","","","has coordinates","246239","2020-10-21","18:00:00",""
"2311999","32.077","0.005","15.83","0.002","24.815","0.004","90","","97.655","0.002","90","","12488","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[pentakis(2,6-dimethylphenyl isocyanide)niobium(I)]","","- C126 H126 N14 Nb2 -","- C126 H126 N14 Nb2 -","- C504 H504 N56 Nb8 -","4","0.5","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.1024","0.0549","","","0.1263","0.1444","","","","","","0.997","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312000","12.2029","0.0013","12.5921","0.0014","19.676","0.002","95.62","0.002","101.807","0.002","113.236","0.002","2665.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[tetrakis(2,6-dimethylphenyl isocyanide)niobium(I)] tetrahydrofuran trisolvate","","- C120 H132 N12 Nb2 O3 -","- C120 H132 N12 Nb2 O3 -","- C120 H132 N12 Nb2 O3 -","1","0.5","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.0831","0.0476","","","0.0939","0.1065","","","","","","1.022","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312001","15.2582","0.001","15.2582","0.001","26.7313","0.0017","90","","90","","120","","5389.6","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Hexakis(2,6-diisopropylphenyl isocyanide)niobium(0)","","- C78 H102 N6 Nb -","- C78 H102 N6 Nb -","- C234 H306 N18 Nb3 -","3","0.166667","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.0378","0.0351","","","0.0832","0.0852","","","","","","1.043","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312002","12.5596","0.0004","7.587","0.0003","14.3433","0.0006","90","","94.66","0.002","90","","1362.25","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylamino-3H-chromenedione","3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","","","0.71073","MoKα","","0.1466","0.0579","","","0.1434","0.1941","","","","","","0.908","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312003","25.8641","0.0005","13.2022","0.0002","4.05295","0.00005","90","","90","","90","","1383.93","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(3-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα~1~","","0.0385","0.0384","","0.0442","0.0442","","","","2.59","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312004","25.2195","0.0004","12.8116","0.0002","4.54932","0.00004","90","","90","","90","","1469.9","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione monohydrate","","- C17 H15 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα","","0.0438","0.0438","","0.06","0.06","","","","3.47","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312027","6.661","0.003","9.833","0.005","12.612","0.006","74.277","0.006","79.224","0.006","84.609","0.007","780.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua-[μ~4~-2,2'-[terephthaloylbis(azanediyl)]diacetato]calcium(II)] monohydrate]","","- C12 H16 Ca N2 O9 -","- C12 H16 Ca N2 O9 -","- C24 H32 Ca2 N4 O18 -","2","1","DG3022","Liu, Huang Huang; Liang, Chu Heng; Liu, Yan; Zhang, Hong Tao","A two-dimensional calcium (II) coordination polymer constructed from 2,2'-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure and properties.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 11","675","682","10.1107/S205322962101041X","","","0.71073","MoKα","","0.0747","0.0417","","","0.0827","0.0962","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","273083","2022-02-22","03:00:04",""
"2312035","16.288","0.008","5.79","0.004","10.546","0.009","90","","104.77","0.03","90","","961.7","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrafluoro-3,6-diiodobenzene bis(pyridin-1-ium-4-ylsulfanide)","","- C16 H10 F4 I2 N2 S2 -","- C16 H10 F4 I2 N2 S2 -","- C32 H20 F8 I4 N4 S4 -","2","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0693","0.0319","","","0.0612","0.0694","","","","","","0.934","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312036","8.0815","0.0004","17.2161","0.0005","18.9254","0.0012","90","","90","","90","","2633.1","0.2","200","2","200","2","","","","","","","synthesis as described","5","F 2 d d","F -2d 2","43","","4,4'-[Methanediyldi(sulfanediyl)]dipyridinium dichloride","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C88 H96 Cl16 N16 S16 -","8","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0569","0.0408","","","0.0914","0.1007","","","","","","1.096","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312037","15.1427","0.001","8.9369","0.001","26.143","0.002","90","","98.304","0.002","90","","3500.8","0.5","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(η^5^-cyclopentadienyl)(fluorodimethylsilyl)hydrido(iododimethylsilyl)niobium","","- C14 H23 F I Nb Si2 -","- C14 H23 F I Nb Si2 -","- C112 H184 F8 I8 Nb8 Si16 -","8","1","OV3168","Rodriguez, Sara M.; Motta, Ysidro N.; Hill, Michael R.; Oelke, Laura M.; Carter, Carly C.; Cundari, Thomas R.; Yousufuddin, Muhammed","Crystal structure and DFT calculations of Cp<sub>2</sub>NbH(SiIMe<sub>2</sub>)(SiFMe<sub>2</sub>): an asymmetric bis(silyl) niobocene hydride complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","158","163","10.1107/S2053229623002395","","","0.71073","MoKα","","0.0334","0.0286","","","0.0677","0.0693","","","","","","1.024","","","","has coordinates,has Fobs","282396","2023-04-05","10:55:12",""
"2312038","8.0549","0.0005","9.8811","0.0006","13.7189","0.0008","106.451","0.001","103.271","0.001","91.482","0.001","1014.4","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[μ-6,11-Dimethyl-7,10-diazahexadeca-5,11-diene-2,4,13,15-tetraolato(4-)-1κ^4^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^13^,<i>O</i>^15^:2κ^4^<i>N</i>^7^,<i>N</i>^10^,<i>O</i>^4^,<i>O</i>^13^](pyridine-1κ<i>N</i>)dicopper(II)","","- C21 H25 Cu2 N3 O4 -","- C21 H25 Cu2 N3 O4 -","- C42 H50 Cu4 N6 O8 -","2","1","DG3038","Ranaweera, Samantha A.; Donnadieu, Bruno; Henry, William P.; White, Mark G.","Effects of electron-donating ability of binding sites on coordination number: the interactions of a cyclic Schiff base with copper ions.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","142","148","10.1107/S2053229623002280","","","0.71073","MoKα","","0.0233","0.0205","","","0.054","0.0554","","","","","","1.045","","","","has coordinates,has Fobs","282397","2023-04-05","10:55:51",""
"2312039","23.8353","0.0008","6.8067","0.0002","16.6103","0.0005","90","","109.104","0.003","90","","2546.43","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C116 H72 F16 N16 O16 -","4","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","x-ray","0.71073","MoKα","","0.0791","0.0532","","","0.1328","0.1467","","","","","","1.021","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312040","13.131","0.004","14.423","0.004","26.523","0.007","90","","90","","90","","5023","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C232 H144 F32 N32 O32 -","8","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","","0.71073","MoKα","","0.0836","0.056","","","0.1357","0.154","","","","","","1.027","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312043","6.1037","0.0004","9.3345","0.0007","10.4146","0.0007","83.039","0.001","77.139","0.009","85.055","0.001","573.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","1","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71075","MoKα","","0.0671","0.0527","","","0.1431","0.1516","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:34",""
"2312044","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","1","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0703","0.0465","","","0.1076","0.1228","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312045","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26.0104 H20.008 Cl2.0008 N4.0016 -","- C104.042 H80.032 Cl8.0032 N16.0064 -","4","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0827","0.055","","","0.1238","0.1405","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312046","12.6112","0.0006","8.6352","0.0004","17.308","0.0008","90","","105.925","0.002","90","","1812.51","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis[(<i>E</i>)-styryl]quinoline","2,4-Bis[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0649","0.0499","","","0.1092","0.1175","","","","","","1.089","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312047","28.495","0.0007","9.5384","0.0003","16.052","0.0005","90","","118.581","0.001","90","","3831.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-[(<i>E</i>)-2,4-Dichlorostyryl]-4-[(<i>E</i>)-styryl]quinoline","2-[(<i>E</i>)-2-(2,4-Dichlorophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H17 Cl2 N -","- C25 H17 Cl2 N -","- C200 H136 Cl16 N8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0388","0.0322","","","0.0744","0.0778","","","","","","1.087","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312048","12.287","0.002","15.528","0.003","12.844","0.003","90","","99.877","0.006","90","","2414.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-styryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H22 Br N O -","- C32 H22 Br N O -","- C128 H88 Br4 N4 O4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0857","0.0638","","","0.1803","0.1961","","","","","","1.045","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312049","9.9051","0.0012","11.3936","0.0016","11.8192","0.0016","77.727","0.005","76.116","0.005","86.448","0.005","1265.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-4-chlorostyryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(4-chlorophenyl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H21 Br Cl N O -","- C32 H21 Br Cl N O -","- C64 H42 Br2 Cl2 N2 O2 -","2","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0373","0.0281","","","0.0611","0.0651","","","","","","1.034","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:06",""
"2312050","15.5785","0.0008","16.4215","0.0007","18.3126","0.0009","90","","90","","90","","4684.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C30 H20 Br N O S -","- C30 H20 Br N O S -","- C240 H160 Br8 N8 O8 S8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0526","0.0401","","","0.0935","0.1012","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","282416","2023-04-05","15:37:06",""
"2312077","7.1203","0.0008","7.2221","0.001","7.3808","0.0009","96.813","0.008","106.031","0.007","114.329","0.008","320.47","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,2-Ethanediammonium bis(nitrosocarbamoylcyanomethanide)","Ethane-1,2-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","1","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0598","0.044","","","0.1244","0.1362","","","","","","1.043","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312078","14.5686","0.0007","7.1704","0.0004","13.9658","0.0006","90","","104.209","0.003","90","","1414.27","0.12","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","","- C10 H16 N8 O4 -","- C10 H16 N8 O4 -","- C40 H64 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0717","0.0501","","","0.1203","0.1327","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312079","16.4095","0.0005","6.7848","0.0003","14.8471","0.0005","90","","116.556","0.003","90","","1478.61","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Butane-1,4-diammonium bis(nitrosocarbamoylcyanomethanide)","Butane-1,4-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C10 H18 N8 O4 -","- C10 H18 N8 O4 -","- C40 H72 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0723","0.0586","","","0.155","0.1658","","","","","","1.056","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312080","4.6121","0.0002","16.8608","0.0007","10.7931","0.0007","90","","93.853","0.003","90","","837.41","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexane-1,6-diammonium bis(nitrosocarbamoylcyanomethanide)","Hexane-1,6-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C12 H22 N8 O4 -","- C12 H22 N8 O4 -","- C24 H44 N16 O8 -","2","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0743","0.049","","","0.1092","0.1211","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312081","15.5952","0.0011","15.7968","0.0011","25.7779","0.0015","74.729","0.002","85.878","0.002","89.857","0.002","6109.5","0.7","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2λ^4^,4λ^4^,6λ^4^,8λ^4^-Tetrabora-1,3,5,7(1,3)-tetrapyridinacyclooctaphane-1^1^,3^1^,5^1^,7^1^-tetrakis(ylium)","2,2,8,8,14,14,20,20-Octakis[4-(dibutylamino)phenyl]-1,7,13,19-tetraaza-2,8,14,20-tetraborapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-1,7,13,19-tetrakis(ylium)","","- C132 H192 B4 N12 -","- C132 H192 B4 N12 -","- C264 H384 B8 N24 -","2","1","EP3030","Lovstedt, Alex; Dempsey, Stephen H.; Kass, Steven R.","Structure determination of a bis[4-(di-n-butylamino)phenyl](pyridin-3-yl)borane tetramer highlighting a unique geometric conformation of the core 16-membered ring.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","170","176","10.1107/S2053229623002619","","","0.71073","MoKα","","0.0725","0.0509","","","0.1245","0.1404","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","284368","2023-06-06","05:30:37",""
"2312083","8.8921","0.0013","12.2495","0.0012","23.798","0.003","90","","90","","90","","2592.2","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose pentahydrate","","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0703","0.0703","","","0.0614","0.0614","","","","2.06","2.06","2.06","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:00",""
"2312084","8.987","0.002","12.3973","0.0015","23.528","0.004","90","","90","","90","","2621.4","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose tetrahydrate","","","- C18 H40 O20 -","- C18 H40 O20 -","- C72 H160 O80 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0749","0.0749","","","0.0679","0.0679","","","","2.61","2.61","2.61","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:06",""
"2312085","8.6173","0.0005","14.6662","0.0009","9.4885","0.0006","90","","108.075","0.003","90","","1140.01","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]pyrrolidine","","- C10 H12 N2 O4 S -","- C10 H12 N2 O4 S -","- C40 H48 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0472","0.0412","","","0.1057","0.1106","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","282758","2023-04-20","04:03:03",""
"2312086","8.6881","0.0009","15.0266","0.0014","9.8337","0.001","90","","106.526","0.004","90","","1230.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]piperidine","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C44 H56 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0423","0.0363","","","0.0991","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:03",""
"2312087","7.4701","0.0005","23.6743","0.0012","7.8614","0.0005","90","","94.989","0.003","90","","1385.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]-2,3-dihydro-1<i>H</i>-indole","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0501","0.04","","","0.0994","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:03",""
"2312088","16.399","0.003","7.9485","0.0012","18.376","0.003","90","","113.907","0.006","90","","2189.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Pyrrolidine-1-sulfonyl)aniline","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C80 H112 N16 O16 S8 -","8","2","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0462","0.0354","","","0.0982","0.1073","","","","","","1.039","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312089","11.1747","0.0004","10.485","0.0004","20.1368","0.0008","90","","90","","90","","2359.36","0.15","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Piperidine-1-sulfonyl)aniline","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0348","0.0293","","","0.0818","0.0868","","","","","","1.046","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312090","9.799","0.0011","10.2612","0.0013","13.201","0.0016","90","","100.682","0.005","90","","1304.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,3-Dihydro-1<i>H</i>-indole-1-sulfonyl)aniline","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0483","0.0389","","","0.1039","0.1129","","","","","","1.05","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312091","10.4795","0.0004","11.1326","0.0004","12.1768","0.0007","101.393","0.003","105.793","0.003","115.958","0.002","1143.78","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","Aqua[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-olato-κ<i>O</i>^2^,<i>O</i>^3^](1,10-phenanthroline-κ<i>N</i>,<i>N</i>')copper(II) nitrate methanol monosolvate","","- C25 H20 Cu N4 O8 -","- C25 H20 Cu N4 O8 -","- C50 H40 Cu2 N8 O16 -","2","1","EF3037","Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore","Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","755","759","10.1107/S2053229622011147","","","0.71073","MoKα","","0.0692","0.0424","","","0.1044","0.1162","","","","","","1.037","","","","has coordinates,has Fobs","282759","2023-04-20","04:04:05",""
"2312092","5.687","0.007","6.3969","0.0009","8.447","0.003","90","","107.08","0.08","90","","293.7","0.4","295","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl H2 K O -","- Cl K O -","- Cl4 K4 O4 -","4","1","EF3038","Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki","Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","749","754","10.1107/S2053229622011135","","x-ray","0.71073","MoKα","","0.061","0.061","","","","0.1984","","","","","","1.797","","","","has coordinates,has Fobs","282760","2023-04-20","04:04:39",""
"2312093","11.0585","0.0008","12.0918","0.0008","19.5318","0.0014","73.751","0.002","74.975","0.002","74.263","0.002","2365.4","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H41 Cu F6 N P3 -","- C55 H41 Cu F6 N P3 -","- C110 H82 Cu2 F12 N2 P6 -","2","1","ZO3034","Zhang, Dan Qi; Song, Li; Wu, Jin Tao; Zhu, Yu Fan; Xu, Wen Ze; Lai, Jia Qi; Chai, Wen Xiang","Structural, spectroscopic, luminescence sensing and TD-DFT theoretical studies of a CuP<sub>2</sub>N-type complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","186","192","10.1107/S2053229623003340","","","0.71073","MoKα","","0.0536","0.0416","","","0.1019","0.1099","","","","","","1.024","","","","has coordinates,has Fobs","284370","2023-06-06","05:30:55",""
"2312094","6.927","0.005","8.613","0.007","14.335","0.011","83.295","0.013","81.574","0.013","80.251","0.013","830.1","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-5-chloropyridinium diphenylphosphinate","","- C17 H16 Cl N2 O2 P -","- C17 H16 Cl N2 O2 P -","- C34 H32 Cl2 N4 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.068","0.0512","","","0.1289","0.1414","","","","","","1.072","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312095","6.267","0.004","9.551","0.006","14.615","0.01","88.185","0.011","84.742","0.01","75.841","0.01","844.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-cyanopyridinium diphenylphosphinate","","- C18 H16 N3 O2 P -","- C18 H16 N3 O2 P -","- C36 H32 N6 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.055","0.0413","","","0.1109","0.1211","","","","","","1.106","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312096","27.998","0.012","10.747","0.005","11.362","0.005","90","","97.344","0.008","90","","3391","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-5-methylpyridinium diphenylphosphinate","","- C18 H19 N2 O2 P -","- C18 H19 N2 O2 P -","- C144 H152 N16 O16 P8 -","8","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.0744","0.0506","","","0.1317","0.1496","","","","","","1.027","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312097","9.652","0.0008","9.7408","0.001","14.1445","0.0012","98.183","0.004","104.638","0.003","90.059","0.004","1272.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N6 O -","- C26 H21 Cl N6 O -","- C52 H42 Cl2 N12 O2 -","2","1","","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","227","236","10.1107/S2053229623003728","","","0.71073","MoKα","","0.1674","0.1465","","","0.4457","0.4731","","","","","","2.142","","","","has coordinates,has Fobs","285047","2023-07-06","18:16:45",""
"2312098","19.5522","0.0013","5.8693","0.0004","31.3714","0.0019","90","","91.438","0.004","90","","3599","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-3-(4-Methylphenyl)-1-(3-{[(4-methylphenyl)methylidene]amino}phenyl)prop-2-en-1-one","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0594","0.0393","","","0.0902","0.1014","","","","","","1.016","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312099","25.1922","0.0005","5.7621","0.0001","20.7012","0.0004","90","","109.066","0.001","90","","2840.14","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{3-[(2<i>E</i>)-3-(4-Methylphenyl)prop-2-enoyl]phenyl}acetamide","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0894","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312100","12.702","0.007","19.372","0.01","20.34","0.007","71.313","0.007","81.809","0.013","78.917","0.019","4635","4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Hexachloridotetrakis{10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-\ silatriptycene}nickeldiplatinum–dichloromethane–ethanol (1/5/20), [NiPt~2Cl~6(TRIPPy)~4]","<i>catena</i>-Poly[[[dichloridonickel(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}-bis[dichloridoplatinum(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}] dichloromethane pentasolvate ethanol icosasolvate]","","- C161 H210 Cl16 N4 Ni O20 P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","1","0.5","EF3041","Gildenast, Hans; Gruszien, Lukas; Englert, Ulli","The heterometallic one-dimensional solvated coordination polymer [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","118","124","10.1107/S2053229623001845","","","0.5","synchrotron","","0.0481","0.0359","","","0.1021","0.1077","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283564","2023-05-06","09:54:35",""
"2312111","9.0637","0.0005","9.0637","0.0005","13.2319","0.001","90","","90","","120","","941.38","0.1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Nd0.51 Ni4.83 Tb1.51 Zn12.17 -","- Nd0.4956 Ni4.8265 Tb1.5044 Zn12.1735 -","- Nd1.4868 Ni14.4795 Tb4.5132 Zn36.5205 -","3","0.0833333","YP3229","Nytka, Vitalii; Kordan, Vasyl; Stetskiv, Andrij; Pavlyuk, Volodymyr","Tb<sub>2-x</sub>Nd<sub>x</sub>Zn<sub>17-y</sub>Ni<sub>y</sub> (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","257","262","10.1107/S2053229623004369","","","0.71073","MoKα","","0.0861","0.046","","","0.0866","0.096","","","","","","0.9","","","","has coordinates,has Fobs","285045","2023-07-06","18:16:17",""
"2312112","7.5224","0.0018","8.4415","0.0018","10.82","0.003","91.437","0.009","104.157","0.01","112.754","0.008","608.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>-[(4-Fluorophenyl)sulfanyl]phthalimide","2-[(4-Fluorophenyl)sulfanyl]isoindole-1,3-dione","","- C14 H8 F N O2 S -","- C14 H8 F N O2 S -","- C28 H16 F2 N2 O4 S2 -","2","1","ZO3030","Çakmak, Şukriye; Aycan, Tuğba; Yakan, Hasan; Veyisoğlu, Aysel; Tanak, Hasan; Evecen, Meryem","Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","249","256","10.1107/S2053229623003418","","","0.71073","MoKα","","0.0388","0.0334","","","0.0797","0.085","","","","","","1.056","","","","has coordinates,has Fobs","285046","2023-07-06","18:16:29",""
"2312125","11.3193","0.0009","11.3193","0.0009","15.4254","0.0016","90","","90","","120","","1711.6","0.3","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] trichloride tetrahydrate","","- C6 H32 Cl3 Co N6 O4 -","- C6 H32 Cl3 Co N6 O4 -","- C24 H128 Cl12 Co4 N24 O16 -","4","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0371","0.0346","","","0.0982","0.1005","","","","","","1.139","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:20",""
"2312126","11.354","0.007","11.354","0.007","15.683","0.013","90","","90","","120","","1751","2","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0249","0.0215","","","0.0456","0.0469","","","","","","1.131","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312127","11.4444","0.0003","11.4444","0.0003","15.649","0.0006","90","","90","","120","","1775.02","0.09","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquapotassium(I) heptachloride","","- C12 H60 Cl7 Co2 K N12 O6 -","- C12 H60 Cl7 Co2 K N12 O6 -","- C24 H120 Cl14 Co4 K2 N24 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.025","0.0245","","","0.0646","0.0649","","","","","","1.193","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312128","11.4131","0.0014","11.4131","0.0014","15.578","0.003","90","","90","","120","","1757.3","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Ammonium bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] heptachloride hexahydrate","","- C12 H64 Cl7 Co2 N13 O6 -","- C12 H64 Cl7 Co2 N13 O6 -","- C24 H128 Cl14 Co4 N26 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0445","0.033","","","0.0644","0.0685","","","","","","1.039","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312129","11.32","0.003","11.32","0.003","8.049","0.002","90","","90","","120","","893.2","0.4","120","2","120","2","","","","","","","","7","P 3","P 3","143","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","1","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0237","0.0212","","","0.0371","0.0378","","","","","","0.995","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312130","9.1032","0.0002","10.9034","0.0001","15.3748","0.0002","90","","107.202","0.002","90","","1457.78","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{Amino[6-(pyrrolidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C13 H20 N6 S -","- C13 H20 N6 S -","- C52 H80 N24 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0393","0.0373","","","0.1045","0.1059","","","","","","1.101","","","","has coordinates,has Fobs","284681","2023-06-29","15:22:42",""
"2312131","9.3148","0.0002","9.386","0.0001","36.2261","0.0005","90","","94.812","0.001","90","","3156.04","0.09","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{Amino[6-(piperidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C14 H22 N6 S -","- C14 H22 N6 S -","- C112 H176 N48 S8 -","8","2","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0528","0.0489","","","0.143","0.1465","","","","","","1.051","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:00",""
"2312132","7.96887","0.00014","10.94707","0.00018","18.4759","0.0003","90","","96.242","0.0016","90","","1602.2","0.05","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","2-[Amino(6-phenoxypyridin-2-yl)methylidene]-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide monohydrate","","- C15 H19 N5 O2 S -","- C15 H19 N5 O2 S -","- C60 H76 N20 O8 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0574","0.0575","","","","","","1.048","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:12",""
"2312133","7.769","0.004","22.149","0.012","13.656","0.008","90","","99.399","0.009","90","","2318","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[0.75(aqua)[μ~3~-4,4'-(1<i>H</i>,1'<i>H</i>-[2,2'-biimidazole]-1,1'-diyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>';<i>N</i>;<i>O</i>'',<i>O</i>''']]lead(II)] 1.25-hydrate]","","- C20 H16 N4 O6 Pb -","- C20 H12 N4 O6 Pb -","- C80 H48 N16 O24 Pb4 -","4","1","LF3130","Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi","Construction of a Pb<sup>II</sup> coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","263","268","10.1107/S2053229623004783","","","0.71073","MoKα","","0.0734","0.0419","","","0.0998","0.1131","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","284682","2023-06-29","15:24:22",""
"2312134","4.82","0.001","19.11","0.004","19.28","0.004","90","","90","","90","","1775.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","OP3019","Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna","Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","277","282","10.1107/S2053229623004849","","","0.97625","synchrotron","","0.0661","0.0598","","","0.1664","0.174","","","","","","1.1","","","","has coordinates,has Fobs","284683","2023-06-29","15:25:20",""
"2312135","14.1807","0.0006","7.4675","0.0003","20.0702","0.0008","90","","90","","90","","2125.32","0.15","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3-(Dihydroxyboryl)anilinium bisulfate monohydrate","3-(Dihydroxyboryl)anilinium hydrogen sulfate monohydrate","","- C6 H12 B N O7 S -","- C6 H12 B N O7 S -","- C48 H96 B8 N8 O56 S8 -","8","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0536","0.0512","","","0.1343","0.1379","","","","","","1.081","","","","has coordinates","284685","2023-06-29","15:27:41",""
"2312136","10.97561","0.00018","7.22452","0.00011","13.5494","0.0002","90","","103.343","0.0015","90","","1045.38","0.03","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(Dihydroxyboryl)anilinium methyl sulfate","","- C7 H12 B N O6 S -","- C7 H12 B N O6 S -","- C28 H48 B4 N4 O24 S4 -","4","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0306","0.03","","","0.0783","0.0789","","","","","","1.114","","","","has coordinates,has Fobs","284685","2023-06-29","15:27:44",""
"2312145","16.424","0.005","16.876","0.004","18.265","0.005","90","","112.66","0.02","90","","4672","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]-μ-μ-1,4-bis(3-aminopropyl)piperazine-κ^2^<i>N</i>^1'^:<i>N</i>^4'^]","","- C34 H78 Cd N4 O6 S2 Si2 -","- C34 H78 Cd N4 O6 S2 Si2 -","- C136 H312 Cd4 N16 O24 S8 Si8 -","4","1","DV3023","Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka","Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.","Acta crystallographica. Section C, Structural chemistry","2023","","","","","10.1107/S2053229623005442","","x-ray","0.71073","MoKα","","0.0495","0.0428","","","0.1045","0.1068","","","","","","1.139","","","","has coordinates,has Fobs","285018","2023-07-06","01:56:13",""
"2312146","9.6433","0.0002","29.0546","0.0004","14.5665","0.0002","90","","91.466","0.001","90","","4079.94","0.12","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ-1,4-Bis(3-aminopropyl)piperazine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^4^,<i>N</i>^4'^-bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]","","- C58 H132 Cd2 N4 O12 S4 Si4 -","- C58 H132 Cd2 N4 O12 S4 Si4 -","- C116 H264 Cd4 N8 O24 S8 Si8 -","2","0.5","DV3023","Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka","Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.","Acta crystallographica. Section C, Structural chemistry","2023","","","","","10.1107/S2053229623005442","","x-ray","0.71073","MoKα","","0.0519","0.0441","","","0.1167","0.1227","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","285018","2023-07-06","01:56:26",""
"2312147","15.3082","0.0009","5.202","0.0003","18.6832","0.0011","90","","112.809","0.002","90","","1371.46","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrazine-2-carboxamide; 2-(carboxymethyl)benzoic acid","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0679","0.0606","","","0.2124","0.2249","","","","","","1.198","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312148","5.1567","0.0003","21.1373","0.001","17.8054","0.0009","90","","92.826","0.002","90","","1938.41","0.18","285","2","285","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine–5-chlorosalicylic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 5-chloro-2-hydroxybenzoic acid","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C88 H68 Cl4 N8 O16 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0526","0.0438","","","0.112","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312149","15.344","0.0006","5.4552","0.0003","23.7301","0.0009","90","","96.148","0.002","90","","1974.89","0.15","285","2","285","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Carbamazepine–<i>trans</i>-cinnamic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 3-phenylprop-2-enoic acid","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0716","0.0429","","","0.0984","0.1129","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312150","5.1236","0.0001","17.7396","0.0005","19.7236","0.0006","90","","91.09","0.002","90","","1792.37","0.08","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Carbamazepine–nicotinamide (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; pyridine-3-carboxamide","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0575","0.0404","","","0.0979","0.107","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312153","18.2538","0.0005","7.3008","0.0002","20.0497","0.0005","90","","106.867","0.002","90","","2557.02","0.12","208","2","208","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,2,5-Tellurodiazole-3,4-dicarbonitrile tetraphenylphosphonium chloride","","- C28 H20 Cl N4 P Te -","- C28 H20 Cl N4 P Te -","- C112 H80 Cl4 N16 P4 Te4 -","4","1","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0389","0.0262","","","0.056","0.0609","","","","","","1.036","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"2312154","6.95","0.0011","9.5921","0.0015","13.604","0.002","102.427","0.002","101.89","0.002","91.876","0.002","863.8","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","1,2,5-Tellurodiazole-3,4-dicarbonitrile tetraethylphosphonium chloride","","- C12 H20 Cl N4 P Te -","- C12 H20 Cl N4 P Te -","- C24 H40 Cl2 N8 P2 Te2 -","2","1","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0369","0.036","","","0.098","0.0984","","","","","","1.169","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"2312155","6.2634","0.0016","7.4089","0.0019","18.32","0.005","90","","96.42","0.005","90","","844.8","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,5-Selenodiazole-3,4-dicarbonitrile–hydroquinone (1/1)","","- C14 H6 N8 O2 Se2 -","- C14 H6 N8 O2 Se2 -","- C28 H12 N16 O4 Se4 -","2","0.5","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0589","0.0331","","","0.0664","0.0729","","","","","","1.004","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"2312156","11.3873","0.0005","9.0517","0.0004","14.4136","0.0007","90","","113.225","0.001","90","","1365.28","0.11","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Diaquabis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^8^)zirconium(IV) dimethylformamide disolvate","","- C26 H28 N4 O10 Zr -","- C26 H28 N4 O10 Zr -","- C52 H56 N8 O20 Zr2 -","2","0.5","DG3041","Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan","Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005971","","","0.71073","MoKα","","0.0257","0.022","","","0.0533","0.0554","","","","","","1.048","","","","has coordinates,has Fobs","285294","2023-07-20","02:04:35",""
"2312157","7.774","0.0004","7.9955","0.0004","12.4836","0.0006","106.383","0.004","98.191","0.004","93.279","0.004","732.96","0.07","250","2","250","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-{[(4-Methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","ZO3036","Yahiaoui, Ahmed Abderrahim; Ghichi, Nadir; Hannachi, Douniazed; Mezhoud, Bilel; Djedouani, Amel; Kraim, Khairedine; Crochet, Aurélien; Stoeckli-Evans, Helen","The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005867","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.108","0.1125","","","","","","1.041","","","","has coordinates,has Fobs","285383","2023-07-29","01:54:39",""
"2312275","7.60853","0.00011","6.48071","0.00009","6.24923","0.0001","90","","90","","90","","308.141","0.008","296","","296","","","","","","","","","4","P m n 21","P 2ac -2","31","Copper cadmium silicon sulfide","Copper cadmium silicon sulfide","","- Cd Cu2 S4 Si -","- Cd Cu2 S4 Si -","- Cd2 Cu4 S8 Si2 -","2","0.5","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0221","0.0221","","","0.047","0.047","","","","","","1.269","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:27",""
"2312276","5.5798","0.0012","5.5798","0.0012","10.86","0.003","90","","90","","90","","338.12","0.14","296","","296","","","","","","","","","4","I -4 2 m","I -4 2","121","Copper mercury tin sulfide","Copper mercury tin sulfide","","- Cu2 Hg S4 Sn -","- Cu2 Hg S4 Sn -","- Cu4 Hg2 S8 Sn2 -","2","0.125","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0141","0.0141","","","0.0317","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:31",""
"2312277","7.4355","0.0013","34.195","0.006","7.7242","0.0014","90","","112.512","0.004","90","","1814.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0725","0.054","","","0.1314","0.1419","","","","","","1.034","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:05",""
"2312278","11.0834","0.0006","13.8364","0.0008","12.0014","0.0007","90","","115.71","0.003","90","","1658.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,4-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.1343","0.0606","","","0.1729","0.2193","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312279","7.6312","0.0003","33.5293","0.0012","7.3493","0.0003","90","","114.298","0.001","90","","1713.88","0.12","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(Propan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0479","0.0429","","","0.1173","0.1218","","","","","","1.076","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312280","7.2682","0.0003","34.0775","0.0015","7.6124","0.0003","90","","111.081","0.002","90","","1759.27","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2-chloro-4-nitrobenzoic acid","","- C17 H17 Cl N4 O5 -","- C17 H17 Cl N4 O5 -","- C68 H68 Cl4 N16 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0527","0.0473","","","0.1241","0.1289","","","","","","1.066","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312281","9.2054","0.0003","11.5589","0.0004","15.6268","0.0006","92.383","0.002","93.092","0.002","90.666","0.002","1658.74","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,5-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","2","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0872","0.0675","","","0.171","0.1909","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312282","5.6832","0.0001","7.4639","0.0002","11.7473","0.0003","91.524","0.002","95.245","0.002","106.024","0.002","476.24","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","2,2'-Dithiobispyrazine","2-(Pyrazin-2-yldisulfanyl)pyrazine","","- C8 H6 N4 S2 -","- C8 H6 N4 S2 -","- C16 H12 N8 S4 -","2","1","DG3042","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Husik, Natallia; Rybarczyk-Pirek, Agnieszka J","2,2'-Dithiobispyrazine: about the disulfide bond.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007416","","x-ray","0.71073","MoKα","","0.0447","0.0324","","","0.0819","0.0867","","","","","","1.08","","","","has coordinates,has Fobs","285904","2023-08-30","01:47:48",""
"2312301","11.7637","0.0006","11.746","0.0005","10.3316","0.0005","90","","111.384","0.006","90","","1329.31","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dopamine benzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium benzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0766","0.0601","","","0.1534","0.1705","","","","","","1.023","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:46",""
"2312302","7.4993","0.0002","18.5051","0.0005","10.761","0.0003","90","","99.628","0.003","90","","1472.33","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dopamine 4-nitrobenzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-nitrobenzoate","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C60 H64 N8 O24 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","0.71073","MoKα","","0.0734","0.0476","","","0.0986","0.112","","","","","","1.034","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:50",""
"2312303","10.6328","0.0005","8.5651","0.0005","23.8669","0.0013","90","","90","","90","","2173.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dopamine ethanedisulfonate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium ethane-1,2-disulfonate","","- C18 H28 N2 O10 S2 -","- C18 H28 N2 O10 S2 -","- C72 H112 N8 O40 S8 -","4","0.5","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0479","0.0409","","","0.1234","0.1342","","","","","","1.138","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:56",""
"2312304","17.4085","0.0008","11.9234","0.0005","7.6779","0.0003","90","","95.273","0.004","90","","1586.95","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dopamine 4-hydroxybenzenesulfonate monohydrate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-hydroxybenzenesulfonate monohydrate","","- C14 H19 N O7 S -","- C14 H19 N O7 S -","- C56 H76 N4 O28 S4 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0718","0.0571","","","0.1507","0.1688","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","286395","2023-09-19","01:36:58",""
"2312305","7.6518","0.0004","8.2376","0.0004","9.6402","0.0004","102.414","0.004","93.1","0.004","115.838","0.005","526.51","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[diaqua(μ~3~-butane-1,4-dicarboxylato)hemi(μ-butane-1,4-dicarboxylato)bismuth] monohydrate]","","- C6 H12 Bi O9 -","- C6 H12 Bi O9 -","- C12 H24 Bi2 O18 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0341","0.0291","","","0.0586","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:20",""
"2312306","7.8258","0.0004","9.6629","0.0004","10.1924","0.0005","81.457","0.004","75.553","0.004","77.881","0.004","725.97","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[μ-aqua-aqua(μ~3~-butane-1,4-dicarboxylato)(μ-butane-1,4-dicarboxylato)-μ-oxido-dibismuth] monohydrate]","","- C8 H14 Bi2 O12 -","- C8 H14 Bi2 O12 -","- C16 H28 Bi4 O24 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0311","0.0256","","","0.0576","0.0606","","","","","","1.046","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:21",""
"2312307","28.778","0.008","16.511","0.005","34.938","0.012","90","","108.189","0.011","90","","15771","9","105","","105","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Trimesic acid–4-chlorophenyl diphenyl phosphate (5/2)","Benzene-1,3,5-tricarboxylic acid–4-chlorophenyl diphenyl phosphate (5/2)","","- C81 H58 Cl2 O38 P2 -","- C81 H58 Cl2 O38 P2 -","- C648 H464 Cl16 O304 P16 -","8","1","EF3047","Som, Shubham; Hasija, Avantika; Chopra, Deepak","From liquid to crystal via mechanochemical grinding: unique host-guest (HOF) cocrystal.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007519","","","0.71073","MoKα","","0.2127","0.1155","","","0.2568","0.3171","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","286466","2023-09-22","01:54:06",""
"2312308","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OOH","Di-μ-peroxido-bis[tricarbonyl(pyridine)technetium] <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C16 H12 N2 O10 Tc2 -","- C16 H12 N2 O10 Tc2 -","- C64 H48 N8 O40 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0538","0.0455","","","0.1155","0.1221","","","","","","1.05","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312309","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OME","di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C18 H16 N2 O8 Tc2 -","- C18 H16 N2 O8 Tc2 -","- C72 H64 N8 O32 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0502","0.0419","","","0.1067","0.1128","","","","","","1.051","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312310","8.3769","0.0004","8.7294","0.0004","9.7804","0.0005","74.8391","0.0017","79.5481","0.0018","78.3934","0.0016","669.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 6-chloronicotinate dihydrate","","- C10 H15 Cl N6 O4 -","- C10 H15 Cl N6 O4 -","- C20 H30 Cl2 N12 O8 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0363","0.0294","","","0.0741","0.0784","","","","","","1.081","","","","has coordinates,has Fobs","286517","2023-09-26","01:44:56",""
"2312311","8.2567","0.001","12.7736","0.0014","13.2612","0.0017","90","","102.433","0.005","90","","1365.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Triaminopyrimidinediium pyridine-2,6-dicarboxylate dihydrate","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C44 H64 N24 O24 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0459","0.0343","","","0.0836","0.0912","","","","","","1.036","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312312","9.0198","0.0005","10.1953","0.0005","9.8987","0.0005","90","","103.305","0.002","90","","885.85","0.08","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-Triaminopyrimidinediium sulfate monohydrate","","- C4 H11 N5 O5 S -","- C4 H11 N5 O5 S -","- C16 H44 N20 O20 S4 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.083","0.0461","","","0.1001","0.1132","","","","","","1.041","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312313","6.977","0.0002","10.5805","0.0003","11.217","0.0002","83.491","0.002","87.651","0.002","80.623","0.002","811.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 3,5-dinitrobenzoate dihydrate","","- C11 H15 N7 O8 -","- C11 H15 N7 O8 -","- C22 H30 N14 O16 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","1.54184","CuKα","","0.0454","0.0397","","","0.1156","0.1213","","","","","","1.089","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:05",""
"2312314","8.5339","0.0003","11.8471","0.0004","13.2628","0.0005","87.563","0.002","71.508","0.001","85.627","0.001","1267.72","0.08","200","","200","","","","","","","","","3","P -1","-P 1","2","2-{10-[4-(Diphenylamino)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Diphenylamino)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H22 N4 -","- C34 H22 N4 -","- C68 H44 N8 -","2","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","1.34139","GaKα","","0.0772","0.0524","","","0.145","0.1572","","","","","","1.142","","","","has coordinates,has Fobs","286518","2023-09-26","01:45:59",""
"2312315","11.7306","0.001","7.1509","0.0006","29.769","0.002","90","","96.28","0.002","90","","2482.2","0.3","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-{10-[4-(9<i>H</i>-Carbazol-9-yl)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Carbazol-9-yl)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H20 N4 -","- C34 H20 N4 -","- C136 H80 N16 -","4","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","0.71073","MoKα","","0.0784","0.048","","","0.123","0.1391","","","","","","1.024","","","","has coordinates,has Fobs","286518","2023-09-26","01:46:00",""
"2312316","9.6864","0.0019","10.484","0.002","10.658","0.002","66.22","0.03","89.67","0.03","82.73","0.03","981.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-anthracene-κ^2^<i>C</i>^9^:<i>C</i>^10^)dicopper bis[bis(tetrahydrofuran-κ<i>O</i>)potassium]","","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","1","0.5","EQ3012","Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Crystal structure and synthesis of the bis(anthracene)dicuprate dianion as the dipotassium salt, [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-η<sup>2</sup>-anthracene)}<sub>2</sub>], the first anionic arene complex of copper.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","456","463","10.1107/S2053229623008367","","","0.71073","MoKα","","0.0356","0.0287","","","0.0687","0.0726","","","","","","1.039","","","","has coordinates,has Fobs","288126","2023-12-07","11:46:48",""
"2312321","7.2418","0.0004","28.0107","0.0009","7.3569","0.0004","90","","116.29","0.007","90","","1337.97","0.14","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H12 F3 N3 O S -","- C52 H48 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0792","0.0706","","","0.18","0.1855","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:00",""
"2312322","6.1727","0.0002","27.9473","0.0011","7.6297","0.0003","90","","90.123","0.004","90","","1316.2","0.08","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[4-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H11.112 F3 N3 O S -","- C52 H44.448 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0548","0.0528","","","0.14","0.1414","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:01",""
"2312323","7.8073","0.0009","9.8003","0.0011","10.79","0.0009","72.964","0.009","85.084","0.008","74.448","0.01","760.44","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Bromophenyl)-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-3-methyl-1<i>H</i>-pyrazole","","- C16 H16 Br N3 -","- C16 H16 Br N3 -","- C32 H32 Br2 N6 -","2","1","VX3003","Moreno-Suárez, Erika; Avila-Acosta, Rafael; Sánchez-Ramírez, Karen; Castillo, Juan Carlos; Macías, Mario A","Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009221","","","1.54184","CuKα","","0.0428","0.0382","","","0.0981","0.1048","","","","","","1.032","","","","has coordinates,has Fobs","287106","2023-10-25","02:09:47",""
"2312333","11.2435","0.0007","11.4038","0.0007","13.634","0.0007","74.278","0.005","75.995","0.005","84.642","0.005","1631.99","0.17","93","2","93.15","","","","","","","","","5","P -1","-P 1","2","","Dichloridobis[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>']ruthenium(II) dichloromethane disolvate","","- C32 H28 Cl6 N8 Ru -","- C32 H28 Cl6 N8 Ru -","- C64 H56 Cl12 N16 Ru2 -","2","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.1097","0.0606","","","0.0951","0.1079","","","","","","1.028","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312334","8.3209","0.0003","27.3213","0.001","15.7839","0.0006","90","","99.554","0.004","90","","3538.5","0.2","93","2","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>'][tris(pyridin-2-yl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridoantimonate chloroform monosolvate","","- C31 H25 Cl4 F6 N8 Ru Sb -","- C31 H25 Cl4 F6 N8 Ru Sb -","- C124 H100 Cl16 F24 N32 Ru4 Sb4 -","4","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.0829","0.0481","","","0.0739","0.0812","","","","","","1.081","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312347","10.0732","0.0003","10.0051","0.0002","14.7474","0.0004","90","","109.945","0.003","90","","1397.15","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C60 H52 Cl6 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0487","0.0483","","","0.1287","0.1293","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:10:51",""
"2312348","10.04475","0.00013","9.82563","0.00012","14.59465","0.00018","90","","108.742","0.0013","90","","1364.05","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane monosolvate","","- C30 H27 Cl2 N O4 -","- C30 H27 Cl2 N O4 -","- C60 H54 Cl4 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0395","0.0351","","","0.0929","0.0951","","","","","","1.051","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:02",""
"2312349","9.27898","0.00012","32.3574","0.0004","9.96336","0.00012","90","","90","","90","","2991.44","0.06","130","2","130","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C120 H104 Cl12 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0339","0.0323","","","0.0829","0.084","","","","","","1.015","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:08",""
"2312350","9.28862","0.00009","10.34013","0.00009","24.3525","0.0002","90","","90","","90","","2338.95","0.04","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane 0.1-solvate","","- C29.1 H25.2 Cl0.2 N O4 -","- C29.1 H25.2 Cl0.2 N O4 -","- C116.4 H100.8 Cl0.8 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0314","0.031","","","0.0852","0.0855","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:11:19",""
"2312351","10.00099","0.00016","9.33129","0.00013","31.8959","0.0005","90","","90.4958","0.0013","90","","2976.48","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform sesquisolvate","","- C30.5 H26.5 Cl4.5 N O4 -","- C30.5 H26.5 Cl4.5 N O4 -","- C122 H106 Cl18 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0747","0.0577","","","0.1467","0.1584","","","","","","1.043","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:33",""
"2312363","15.0191","0.0003","8.304","0.0002","23.9862","0.0005","90","","95.8239","0.0019","90","","2976.08","0.11","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.2/0.8)","","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C80 H128 Cl16 Co1.6 N32 Zn6.4 -","8","1","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0402","0.0284","","","0.0694","0.0754","","","","","","1.036","","","","has coordinates,has Fobs","287917","2023-12-01","02:58:44",""
"2312364","8.2698","0.0002","8.406","0.0002","10.3062","0.0002","84.826","0.002","69.156","0.002","87.133","0.002","666.7","0.03","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^1^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^-bis[bromido/chlorido(0.7/0.3)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.1/0.9)]","","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","1","0.5","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0343","0.0266","","","0.0709","0.0746","","","","","","1.047","","","","has coordinates,has Fobs","287917","2023-12-01","02:59:42",""
"2312365","7.734","0.0008","19.01","0.002","10.6154","0.0011","90","","96.106","0.002","90","","1551.9","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dioxidouranium(VI)","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0193","0.0157","","","0.0337","0.0346","","","","","","1.077","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:36",""
"2312366","13.809","0.0013","12.6324","0.0012","23.699","0.002","90","","103.412","0.001","90","","4021.3","0.6","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bis(2,3'-bipyridinium) [di-μ-acetato-μ~3~-hydroxido-μ-hydroxido-di-μ~3~-oxido-hexaoxidotriuranium(VI)]–2,3'-bipyridine–water (1/1/1)]","","- C34 H36 N6 O15 U3 -","- C34 H36 N6 O15 U3 -","- C136 H144 N24 O60 U12 -","4","1","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0659","0.0347","","","0.0592","0.0679","","","","","","1.003","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:37",""
"2312367","8.006","0.003","8.786","0.003","8.833","0.003","78.274","0.005","84.648","0.005","74.814","0.005","586.6","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,4'-bipyridine-\ κ<i>N</i>^1'^)dioxidouranium(VI)","","- C24 H22 N4 O6 U -","- C24 H22 N4 O6 U -","- C24 H22 N4 O6 U -","1","0.5","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0266","0.0266","","","0.0613","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:37",""
"2312385","5.2027","0.0002","8.9738","0.0003","12.3715","0.0004","78.249","0.001","83.171","0.001","76.338","0.001","547.97","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","α-<i>D</i>-2'-Deoxyadenosine","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C20 H26 N10 O6 -","2","2","OV3171","Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","21","29","10.1107/S2053229624000457","","x-ray","1.54178","CuKα","","0.0282","0.027","","","0.064","0.0649","","","","","","1.075","","","","has coordinates,has Fobs","290322","2024-03-05","20:41:27",""
"2312393","12.5755","0.0003","12.6649","0.0003","14.4336","0.0002","68.909","0.002","82.733","0.002","75.557","0.002","2075.3","0.08","199.99","0.1","200.15","","","","","","","","","7","P -1","-P 1","2","Vandetanib–bumetanide–acetonitrile (1/1/1)","4-({4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}methoxy)-1-methylpiperazin-1-ium 2-(butylamino)-4-phenoxy-6-sulfamoylbenzoate acetonitrile monosolvate","","- C41 H47 Br F N7 O7 S -","- C41 H47 Br F N7 O7 S -","- C82 H94 Br2 F2 N14 O14 S2 -","2","1","DG3049","Yang, Haiwu; Liang, Minyi; Tian, Fang","Crystal structure and Hirshfeld surface analysis of a salt of antineoplastic kinase inhibitor vandetanib.","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624000676","","x-ray","1.54184","CuKα","","0.0654","0.0534","","","0.1413","0.1556","","","","","","1.045","","","","has coordinates,has Fobs","289751","2024-02-08","03:14:38",""
"2312394","4.8791","0.001","22.049","0.005","28.256","0.006","90","","90","","90","","3039.8","1.1","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(6-methylmercaptopurine riboside-κ<i>N</i>^7^)(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) 2.32-hydrate","","- C22 H32.64 Ag N9 O13.32 S2 -","- C22 H32 Ag N9 O13.314 S2 -","- C88 H128 Ag4 N36 O53.256 S8 -","4","0.5","VP3034","Al-Mahamad, Lamia L G; Clegg, William","Synthesis and crystal structure of a silver(I) 6-methylmercaptopurine riboside complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001670","","","0.6889","synchrotron","","0.0329","0.0292","","","0.0671","0.0683","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","289936","2024-02-23","03:06:00",""
"2312395","17.1883","0.0013","17.1883","0.0013","9.1123","0.0009","90","","90","","90","","2692.1","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","[5,10,15,20-Tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II)","","- C52 H40 F4 N4 Pt -","- C52 H40 F4 N4 Pt -","- C104 H80 F8 N8 Pt2 -","2","0.125","YD3039","Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K.","Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II).","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001621","","","0.71073","MoKα","","0.0336","0.033","","","0.0715","0.0723","","","","","","1.047","","","","has coordinates,has Fobs","289963","2024-02-27","02:59:30",""
"2312396","40.2744","0.0004","5.0976","0.0005","27.698","0.004","90","","105.729","0.006","90","","5473.5","1","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","Beauveriolide I","(3<i>R</i>,6<i>S</i>,9<i>S</i>,13<i>S</i>)-9-Benzyl-13-[(2<i>S</i>)-hexan-2-yl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone","","- C27 H41 N3 O5 -","- C27 H41 N3 O5 -","- C216 H328 N24 O40 -","8","2","NH3001","Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš","Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","56","61","10.1107/S2053229624001359","","electron","0.0251","electrons200keV","","0.1423","0.1098","","","0.1153","0.1199","","","","0","0","1.9083","","","","has coordinates","291108","2024-04-05","23:40:47",""
"2312397","33.5486","0.0009","26.4223","0.0006","5.36515","0.0001","90","","90","","90","","4755.84","0.19","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Carbamazepine–<i>S</i>-naproxen (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoic acid","","- C58 H52 N4 O8 -","- C58 H52 N4 O8 -","- C232 H208 N16 O32 -","4","1","OJ3014","Guerain, Mathieu; Correia, Natalia T.; Roca-Paixão, Luisa; Chevreau, Hubert; Affouard, Frederic","Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","37","42","10.1107/S2053229624000639","powder diffraction","x-ray","0.67132","synchrotron","","0.0605","0.0597","","0.0777","0.0775","","","","3.4864","","","","","","","has coordinates","290310","2024-03-05","20:13:46",""
"2312416","13.8926","0.0001","11.9663","0.0001","19.3872","0.0001","90","","100.384","0.001","90","","3170.2","0.04","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Oxo-1,2-diphenylethyl)pyrrolidin-1-ium chloride hemihydrate","","- C36 H42 Cl2 N2 O3 -","- C36 H42 Cl2 N2 O3 -","- C144 H168 Cl8 N8 O12 -","4","0.5","EQ3015","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","91","97","10.1107/S2053229624000561","","x-ray","1.54184","CuKα","","0.0319","0.0305","","","0.0811","0.0821","","","","","","1.093","","","","has coordinates","291715","2024-05-06","04:19:10",""
"2312417","6.61708","0.00006","12.0474","0.0001","18.88721","0.00019","90","","93.9791","0.0008","90","","1502.03","0.02","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Myo-inositol","Cyclohexane-1,2,3,4,5,6-hexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","EQ3015","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","91","97","10.1107/S2053229624000561","","x-ray","1.54184","CuKα","","0.0436","0.0378","","","0.1047","0.1095","","","","","","1.062","","","","has coordinates","291715","2024-05-06","04:19:10",""
"2312418","9.73","0.005","16.52","0.009","17.649","0.01","90","","103.19","0.02","90","","2762","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl]methanone-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-5-bromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C29 H21 Br N4 O5 Zn -","- C29 H21 Br N4 O5 Zn -","- C116 H84 Br4 N16 O20 Zn4 -","4","1","DG3050","Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan","A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002171","","","0.71073","MoKα","","0.0436","0.0362","","","0.0971","0.1004","","","","","","1.021","","","","has coordinates,has Fobs","290474","2024-03-13","03:07:07",""
"2312419","9.455","0.008","9.628","0.008","12.023","0.01","69.506","0.01","79.904","0.012","66.215","0.011","937.4","1.4","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole ethanol monosolvate","","- C20 H20 N6 O -","- C20 H20 N6 O -","- C40 H40 N12 O2 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1087","0.0627","","","0.1754","0.1974","","","","","","1.051","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:09",""
"2312420","8.5626","0.0016","18.701","0.004","19.024","0.004","90","","90","","90","","3046.3","1.1","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H12 N6 -","- C17 H12 N6 -","- C136 H96 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1252","0.05","","","0.1115","0.1349","","","","","","0.918","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:11",""
"2312421","8.551","0.0013","9.4214","0.0015","11.5813","0.0018","85.894","0.002","70.776","0.002","65.64","0.002","800.3","0.2","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Bromophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 Br N6 -","- C17 H11 Br N6 -","- C34 H22 Br2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.051","0.0388","","","0.0958","0.1005","","","","","","1.08","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:13",""
"2312422","8.5105","0.0013","9.3681","0.0014","10.8959","0.0016","81.355","0.002","82.482","0.002","67.388","0.002","790.3","0.2","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Chlorophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 Cl N6 -","- C17 H11 Cl N6 -","- C34 H22 Cl2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0456","0.0387","","","0.0984","0.1021","","","","","","1.069","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:15",""
"2312423","8.624","0.002","9.503","0.002","10.471","0.003","80.312","0.003","81.512","0.004","64.78","0.003","762.5","0.3","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Fluorophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 F N6 -","- C17 H11 F N6 -","- C34 H22 F2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0813","0.0515","","","0.1256","0.1377","","","","","","1.021","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:16",""
"2312424","15.7069","0.001","11.8266","0.0011","17.5763","0.0012","90","","90","","90","","3265","0.4","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C18 H14 N6 -","- C18 H14 N6 -","- C144 H112 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0843","0.0542","","","0.1435","0.157","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","290475","2024-03-13","03:08:16",""
"2312429","7.6186","0.0002","9.4985","0.0002","11.9173","0.0003","105.38","0.001","95.005","0.001","93.78","0.001","824.78","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Acridin-10-ium 4-nitrobenzoate","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C40 H28 N4 O8 -","2","1","EF3054","Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas","Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002250","","x-ray","0.71073","MoKα","","0.0578","0.0495","","","0.158","0.1659","","","","","","1.081","","","","has coordinates,has Fobs","290543","2024-03-20","02:57:49",""
"2312430","8.2555","0.0006","6.752","0.0005","11.8096","0.0009","90","","90.573","0.003","90","","658.25","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-3-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EF3054","Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas","Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002250","","","0.71073","MoKα","","0.0539","0.0517","","","0.1306","0.1323","","","","","","1.143","","","","has coordinates,has Fobs","290543","2024-03-20","02:57:50",""
"2312458","12.8456","0.0002","5.5803","0.0001","16.7446","0.0003","90","","132.566","0.001","90","","884.01","0.03","223.15","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","0.5","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.054","0.0505","","","0.1545","0.1591","","","","","","1.097","","","","has coordinates,has Fobs","290609","2024-03-23","03:05:48",""
"2312459","35.4947","0.0009","5.5238","0.0001","18.9927","0.0004","90","","109.151","0.002","90","","3517.73","0.14","223.15","","223.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.0547","0.0513","","","0.1479","0.1523","","","","","","1.051","","","","has coordinates,has Fobs","290609","2024-03-23","03:05:49",""
"2312460","15.0486","0.0002","9.1347","0.0001","18.5227","0.0002","90","","136.112","0.001","90","","1765.16","0.05","223.15","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1299","0.1357","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","290609","2024-03-23","03:05:49",""
"2312461","5.8163","0.0001","6.9218","0.0001","15.6295","0.0002","90","","93.354","0.001","90","","628.154","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium 4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C24 H26 N6 O8 S2 -","2","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","1.54184","CuKα","","0.0293","0.0289","","","0.0791","0.0837","","","","","","1.084","","","","has coordinates","291105","2024-04-05","23:15:09",""
"2312462","8.2876","0.0001","10.6404","0.0001","17.4834","0.0003","89.734","0.001","84.793","0.001","86.146","0.001","1531.91","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ammonium 4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]benzenesulfonate dihydrate","","- C12 H17 N3 O7 S -","- C12 H17 N3 O7 S -","- C48 H68 N12 O28 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0492","0.036","","","0.0878","0.0943","","","","","","1.017","","","","has coordinates","291105","2024-04-05","23:15:10",""
"2312463","35.1636","0.0015","7.8905","0.0003","10.4972","0.0005","90","","100.091","0.002","90","","2867.5","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium 4-[2-(4-aminophenyl)diazen-1-yl]benzenesulfonate sesquihydrate","","- C12 H17 N4 O4.5 S -","- C12 H17 N4 O4.5 S -","- C96 H136 N32 O36 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.7107","MoKα","","0.1183","0.0493","","","0.0878","0.105","","","","","","1.016","","","","has coordinates","291105","2024-04-05","23:15:10",""
"2312464","8.4933","0.0001","13.0977","0.0002","17.1657","0.0003","90.97","0.001","103.18","0.001","95.132","0.001","1850.43","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ammonium 4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}diazen-1-yl)benzenesulfonate monohydrate","","- C16 H24 N4 O6 S -","- C16 H24 N4 O6 S -","- C64 H96 N16 O24 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0865","0.0466","","","0.1047","0.1182","","","","","","1.042","","","","has coordinates,has disorder","291105","2024-04-05","23:15:10",""
"2312465","12.6592","0.0003","28.3597","0.0007","7.1268","0.0002","90","","90","","90","","2558.6","0.11","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Ammonium 3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C96 H104 N24 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.1043","0.0512","","","0.0983","0.1176","","","","","","1.029","","","","has coordinates","291105","2024-04-05","23:15:11",""
"2312466","5.962","0.0007","7.2033","0.0011","31.929","0.005","83.852","0.014","86.361","0.015","88.868","0.015","1360.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua{4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonato}potassium]","","- C12 H11 K N2 O5 S -","- C12 H11 K N2 O5 S -","- C48 H44 K4 N8 O20 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.689","synchrotron","","0.0746","0.0598","","","0.1712","0.1795","","","","","","1.021","","","","has coordinates","291105","2024-04-05","23:15:11",""
"2312467","13.3058","0.0002","13.6247","0.0002","18.4664","0.0003","88.373","0.001","73.971","0.001","66.313","0.001","2933.52","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua{4-[2-(4-aminophenyl)diazen-1-yl]benzenesulfonato}potassium]","","- C12 H14 K N3 O5 S -","- C12 H14 K N3 O5 S -","- C96 H112 K8 N24 O40 S8 -","8","4","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0498","0.0358","","","0.0902","0.0976","","","","","","1.029","","","","has coordinates,has disorder","291105","2024-04-05","23:15:11",""
"2312468","9.4006","0.0002","12.1583","0.0003","34.4743","0.0009","90","","95.496","0.001","90","","3922.14","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}diazen-1-yl)benzenesulfonato]potassium]","","- C16 H22 K N3 O7 S -","- C16 H22 K N3 O7 S -","- C128 H176 K8 N24 O56 S8 -","8","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.145","0.0599","","","0.0827","0.1024","","","","","","1.014","","","","has coordinates,has disorder","291105","2024-04-05","23:15:11",""
"2312469","12.5535","0.0002","27.9698","0.0005","6.9982","0.0001","90","","90","","90","","2457.2","0.07","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Poly[(3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonato)potassium]","","- C12 H9 K N2 O4 S -","- C12 H9 K N2 O4 S -","- C96 H72 K8 N16 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0776","0.0421","","","0.0809","0.0919","","","","","","1.05","","","","has coordinates","291105","2024-04-05","23:15:12",""
"2312470","4.9524","0.0002","11.0302","0.0004","20.9007","0.0007","90","","90","","90","","1141.72","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Berkecoumarin","(<i>S</i>)-8-Hydroxy-3-(2-hydroxypropyl)-6-methoxy-2<i>H</i>-chromen-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","YP3233","Decato, Daniel; Palatinus, Lukáš; Stierle, Andrea; Stierle, Donald","Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003061","","x-ray","1.54178","CuKα","","0.0322","0.0272","","","0.0639","0.0671","","","","","","1.065","","","","has coordinates","291175","2024-04-11","02:02:58",""
"2312471","8.9568","0.0003","12.8555","0.0004","12.8951","0.0005","116.349","0.004","91.178","0.003","91.622","0.003","1329.09","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile)tetrakis(1-benzyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)iron(II) μ-oxido-bis[trichloridoferrate(III)] acetonitrile disolvate","","- C44 H48 Cl6 Fe3 N16 O -","- C44 H48 Cl6 Fe3 N16 O -","- C44 H48 Cl6 Fe3 N16 O -","1","0.5","OJ3018","Pacholski, Roman; Durka, Krzysztof; Buchalski, Piotr","Synthesis and crystal structure of an iron triazole complex resulting from the unexpected ligand cleavage of a triazolium carbene precursor.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624002973","","x-ray","1.54184","CuKα","","0.0854","0.0795","","","0.2298","0.2377","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","291224","2024-04-16","02:09:23",""
"2312472","11.2742","0.0005","27.1355","0.0013","21.3644","0.001","90","","90.166","0.002","90","","6536","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}cerium(III) tetraphenylborate dichloromethane disolvate","","- C68 H56 B3 Ce Cl4 N12 O6 -","- C68 H56 B3 Ce Cl4 N12 O6 -","- C272 H224 B12 Ce4 Cl16 N48 O24 -","4","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0364","0.0316","","","0.0806","0.0851","","","","","","1.064","","","","has coordinates","291251","2024-04-17","02:14:19",""
"2312473","12.1461","0.0007","16.1883","0.0008","17.1795","0.001","102.659","0.002","103.322","0.002","95.948","0.002","3164.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate dichloromethane monosolvate","","- C67 H54 B3 Cl2 Dy N12 O6 -","- C67 H54 B3 Cl2 Dy N12 O6 -","- C134 H108 B6 Cl4 Dy2 N24 O12 -","2","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0521","0.0444","","","0.0977","0.1049","","","","","","1.079","","","","has coordinates,has disorder","291251","2024-04-17","02:14:42",""
"2312474","11.72","0.0004","11.9389","0.0005","21.9139","0.0009","75.579","0.002","76.715","0.001","86.477","0.001","2890.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis{hydrobis[3-(furan-2-yl)pyrazol-1-yl][5-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate","","- C66 H52 B3 Dy N12 O6 -","- C66 H52 B3 Dy N12 O6 -","- C132 H104 B6 Dy2 N24 O12 -","2","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0362","0.0284","","","0.0586","0.0657","","","","","","1.175","","","","has coordinates","291251","2024-04-17","02:14:47",""
"2312475","11.5036","0.0006","11.5036","0.0006","11.5036","0.0006","90","","90","","90","","1522.3","0.14","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Magnesium nickel germanide","","- Ge29.7 Mg22.3 Ni64 -","- Ge29.704 Mg22.296 Ni64 -","- Ge29.704 Mg22.296 Ni64 -","1","0.00520833","YP3234","Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr","Crystal, electronic structure and hydrogenation properties of the Mg<sub>5.57</sub>Ni<sub>16</sub>Ge<sub>7.43</sub> cluster phase with a new type of polyhedron.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003140","","","0.71073","MoKα","","0.0151","0.0125","","","0.0266","0.0282","","","","","","1.247","","","","has coordinates,has Fobs","291350","2024-04-25","01:59:50",""
"2312476","21.4196","0.0008","6.1927","0.0002","21.9265","0.0008","90","","90","","90","","2908.44","0.18","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitro-4,4'-bipyrazole tetrahydrate","","- C6 H10 N8 O12 -","- C6 H10 N8 O12 -","- C48 H80 N64 O96 -","8","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.049","0.0352","","","0.0857","0.0923","","","","","","0.903","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"2312477","11.2164","0.0005","20.8114","0.0006","6.6646","0.0003","90","","90.435","0.004","90","","1555.67","0.11","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3',5,5'-Tetranitro-4,4'-bipyrazole pentahydrate","","- C6 H12 N8 O13 -","- C6 H12 N8 O13 -","- C24 H48 N32 O52 -","4","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.0566","0.046","","","0.1194","0.1276","","","","","","0.998","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"2312478","9.6829","0.0004","8.2557","0.0004","21.4992","0.001","90","","95.212","0.003","90","","1711.52","0.14","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ-3-aminopropanolato)tetra-μ-cyanido-dicopper(I)dicopper(II)]","","- C10 H16 Cu4 N6 O2 -","- C10 H16 Cu4 N6 O2 -","- C40 H64 Cu16 N24 O8 -","4","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.0453","0.0249","","","0.0637","0.0742","","","","","","1.091","","","","has coordinates,has disorder","291489","2024-05-04","01:49:48",""
"2312479","9.3903","0.0004","8.9608","0.0004","9.7986","0.0004","90","","112.134","0.003","90","","763.74","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2-aminopropanol)tetra-μ-cyanido-tricopper(I,II)]","","- C10 H18 Cu3 N6 O2 -","- C10 H18 Cu3 N6 O2 -","- C20 H36 Cu6 N12 O4 -","2","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.0951","0.0335","","","0.0813","0.1133","","","","","","1.155","","","","has coordinates,has disorder","291489","2024-05-04","01:49:50",""
"2312480","9.5158","0.0002","8.8022","0.0002","9.3589","0.0002","90","","117.358","0.001","90","","696.22","0.03","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2-aminoethanol)tetra-μ-cyanido-tricopper(II)]","","- C8 H14 Cu3 N6 O2 -","- C8 H14 Cu3 N6 O2 -","- C16 H28 Cu6 N12 O4 -","2","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.057","0.0236","","","0.0541","0.0769","","","","","","1.156","","","","has coordinates,has disorder","291489","2024-05-04","01:49:50",""
"2312483","11.1312","0.0013","11.1312","0.0013","10.894","0.003","90","","90","","90","","1349.8","0.4","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Diethyl <i>N</i>,<i>N</i>'-(1,3-phenylene)dicarbamate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","0.5","ZO3045","González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector","Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003358","","","0.71073","MoKα","","0.0747","0.0474","","","0.1103","0.1276","","","","","","1.048","","","","has coordinates","291770","2024-05-08","01:54:26",""
"2312484","7.5284","0.0014","11.2362","0.0018","12.2606","0.0012","85.742","0.01","76.887","0.012","79.803","0.015","993.5","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Diethyl <i>N</i>,<i>N</i>'-(1,3-phenylene)dicarbamate–theophylline (1/1)","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C38 H48 N12 O12 -","2","1","ZO3045","González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector","Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003358","","","0.71073","MoKα","","0.1109","0.0619","","","0.1239","0.1566","","","","","","1.048","","","","has coordinates","291770","2024-05-08","01:54:27",""
"2312485","14.6803","0.0003","8.8743","0.0002","6.9537","0.0007","106.922","0.0001","96.304","0.001","97.55","0.01","848.64","0.09","293","","293","","","","","","","","","4","P -1","-P 1","2","Caffeine–citric acid (1/1)","1,3,7-Trimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione–2-hydroxypropane-1,2,3-tricarboxylic acid","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C28 H36 N8 O18 -","2","1","FP3096","Guerain, Mathieu; Chevreau, Hubert; Guinet, Yannick; Paccou, Laurent; Elkaïm, Erik; Hédoux, Alain","Relationship between synthesis method-crystal structure-melting properties in cocrystals: the case of caffeine-citric acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S205322962400319X","powder diffraction","x-ray","0.7289","synchrotron","","0.145","0.1266","","0.1366","0.1318","","","","5.3094","","","","","","","has coordinates","291771","2024-05-08","01:54:41",""
"5000027","11.267","0.002","11.892","0.011","12.105","0.004","90","","90","","90","","1621.91","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Glover, S. S. B.; Gould, R. O.; Walkinshaw, M. D.","Structures of strychnine (I), C~21~H~22~N~2~O~2~, and a solvate of brucine (II), C~23~H~26~N~2~O~4~.C~2~H~6O~.2H~2~O","Acta Crystallographica Section C","1985","41","6","990","994","10.1107/S0108270185006308","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000074","7.491","0.007","13.697","0.012","14.775","0.014","90","","90","","90","","1515.98","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Canfield, D. V.; Barrick, J.; Giessen, B. C.","Structure of codeine","Acta Crystallographica Section C","1987","43","5","977","979","10.1107/S0108270187093363","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000087","5.9237","0.0003","5.9237","0.0003","5.9237","0.0003","90","","90","","90","","207.864","0.018","","","200","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","Lead sulfide","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 200 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"5000110","14.666","0.002","5.324","0.007","9.606","0.003","90","","94.06","0.03","90","","748.17","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","","Coll, M.; Solans, X.; Font-Altaba, M.; Subirana, J. A.","Structure of L-leucine: a redetermination","Acta Crystallographica Section C","1986","42","5","599","601","10.1107/S0108270186095240","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000133","9.574","0.001","10.614","0.002","17.549","0.004","90","","90","","90","","1783.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 I N O4 -","- C18 H21 I N O4 -","- C72 H84 I4 N4 O16 -","4","1","","Wongweichintana, C.; Holt, E. M.; Purdie, N.","Structures of morphine methyl iodide monohydrate, (C~18~H~22~NO~3~)^+^.I^-^.H~2~O, and di(morphine) dihydrogensulfate pentahydrate, 2(C~17~H~20~NO~3~)^+^.SO~4~^2-^.5H~2~O","Acta Crystallographica Section C","1984","40","8","1486","1490","10.1107/S0108270184008453","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000182","8.48","0.002","6.154","0.002","13.515","0.003","90","","90.46","0.01","90","","705.27","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","De, A.; Ghosh, R.; Roychowdhury, S.; Roychowdhury, P.","Structural analysis of picene, C~22~H~14~","Acta Crystallographica Section C","1985","41","6","907","909","10.1107/S0108270185005959","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000226","7.257","0.002","6.457","0.002","12.378","0.003","90","","99.51","0.02","90","","572","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper arsenate trihydroxide","Clinoclase","?","- As Cu3 H4.5 O7 -","- As4 Cu12 H18 O28 -","4","1","","Eby, R. K.; Hawthorne, F. C.","Clinoclase and the geometry of [5]-coordinate Cu^2+^ in minerals","Acta Crystallographica Section C","1990","46","12","2291","2294","10.1107/S0108270190004723","","","","","","","","","","","","","","","","","","","","","has coordinates","175068","2020-10-21","18:00:00",""
"5000267","5.834","0.002","20.035","0.002","21.503","0.004","90","","90","","90","","2513.36","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 O9 -","- C26 H46 O9 -","- C104 H184 O36 -","4","1","","Mattia, C. A.; Mazzarella, L.; Puliti, R.; Riccio, R.; Minale, L.","Structure and stereochemistry of (24R)-27-nor-5α-cholestane-3β,4β,5,6α,7β,8,14,15α,24-nonaol: a highly hydroxylated marine steroid from the starfish Archaster typicus","Acta Crystallographica Section C","1988","44","12","2170","2173","10.1107/S0108270188008868","","","","","","","","","","","","","","","","","","","","","has coordinates","175363","2020-10-21","18:00:00",""
"5000273","9.934","0.003","18.73","0.005","10.563","0.002","90","","96.23","0.02","90","","1953.79","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O5 S2 -","- C20 H18 N2 O5 S2 -","- C80 H72 N8 O20 S8 -","4","1","","Andersen, K. A.; Anderson, O. P.","Structure of a model for aspirochlorine (antibiotic A30641)","Acta Crystallographica Section C","1991","47","7","1561","1563","10.1107/S0108270191000197","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000573","6.1464","","8.8767","","7.7154","","90","","107.549","","90","","401.36","","","","5","","","","","","","","","3","C 1 2/c 1","","","","","","- C4 H8 O -","","","","","","David, W. I. F.; Ibberson, R. M.","A reinvestigation of the structure of tetrahydrofuran by high-resolution neutron powder diffraction","Acta Crystallographica C","1992","48","2","301","303","10.1107/S0108270191008582","","","","","","","","","","","","","","","","","","","","","","188603","2020-10-21","18:00:00",""
"6000574","6.1905","","8.9308","","7.8152","","90","","107.022","","90","","413.14","","","","120","","","","","","","","","3","C 1 2/c 1","","","","","","- C4 H8 O -","","","","","","David, W. I. F.; Ibberson, R. M.","A reinvestigation of the structure of tetrahydrofuran by high-resolution neutron powder diffraction","Acta Crystallographica C","1992","48","2","301","303","10.1107/S0108270191008582","","","","","","","","","","","","","","","","","","","","","","188603","2020-10-21","18:00:00",""
"6000600","10.313","","11.049","","28.024","","90","","90","","90","","3193.29","","","","","","","","","","","","","3","P b c a","","","","","","- C18 H26 O -","","","","","","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. III. Structures of 6-acetyl-1,1,2,3,3,5-hexamethylindan (musk phantolid)(I) and 6-acetyl-3-isopropyl-1,1,3,5-tetramethylindan(II)","Acta Crystallographica Section C","1991","47","5","1044","1047","10.1107/S0108270190010435","","","","","","","","","","","","","","","","","","","","","","188609","2020-10-21","18:00:00",""
"9007703","7.1615","","7.1615","","17.639","","90","","90","","90","","904.653","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As D9 O10 U -","- As D9 O10 U -","- As4 D36 O40 U4 -","4","0.25","","Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F.","The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction Locality: synthetic","Acta Crystallographica, Section C","1983","39","","159","162","10.1107/S0108270183003960","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007704","6.123","","6.293","","11.838","","101.34","","98.39","","103.21","","426.612","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Weissbergite","- S2 Sb Tl -","- S2 Sb Tl -","- S8 Sb4 Tl4 -","4","2","","Rey, N.; Jumas, J. C.; Olivier-Fourcade J; Philippot, E.","Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2","Acta Crystallographica, Section C","1983","39","","971","974","10.1107/S0108270183007040","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007705","9.224","","9.224","","9.224","","90","","90","","90","","784.798","","","","","","","","","","","","Hansonburg mining district, New Mexico, USA","5","F m -3 m","-F 4 2 3","225","","","Murdochite","- Br0.36 Cl0.64 Cu6 O7.52 Pb -","- Br0.36 Cl0.64 Cu6 O7.52 Pb -","- Br1.44 Cl2.56 Cu24 O30.08 Pb4 -","4","0.0208333","","Dubler, E.; Vedani, A.; Oswald, H. R.","New structure determination of murdochite, Cu6PbO8","Acta Crystallographica, Section C","1983","39","","1143","1146","10.1107/S0108270183007702","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007706","8.3969","","8.3969","","8.3969","","90","","90","","90","","592.048","","","","","","","","","","annealed at 1373 K for 7 days","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Fleet, M. E.","The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days","Acta Crystallographica, Section C","1984","40","","1491","1493","10.1107/S0108270184008489","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007707","8.3975","","8.3975","","8.3975","","90","","90","","90","","592.175","","","","","","","","","","annealed at 1073 K for 7 days","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe2.961 Mg0.039 O4 -","- Fe2.961 Mg0.039 O4 -","- Fe23.688 Mg0.312 O32 -","8","0.0416667","","Fleet, M. E.","The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days","Acta Crystallographica, Section C","1984","40","","1491","1493","10.1107/S0108270184008489","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007708","8.365","0.003","18.745","0.004","5.654","0.002","90","","90","","90","","886.558","","","","159","","","","","","","","synthetic","2","P n m a","-P 2ac 2n","62","","","Kratochvilite","- C13 H10 -","- C13 H10 -","- C52 H40 -","4","0.5","","Gerkin, R. E.; Lundstedt, A. P.; Reppart, W. J.","Structure of fluorene, C~13~H~10~, at 159 K","Acta Crystallographica Section C","1984","40","11","1892","1894","10.1107/S0108270184009963","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007709","13.583","","13.583","","5.895","","90","","90","","120","","941.902","","","","","","","","","","","","","10","P 63/m","-P 6c","176","","","Zalesiite","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H18 La0.04 Nd0.01 O21 Y0.31 -","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12 La0.04 Nd0.01 O21 Y0.31 -","- As6 Ca0.8 Ce0.12 Cu12 Fe0.18 H24 La0.08 Nd0.02 O42 Y0.62 -","2","0.166667","","Aruga, A.; Nakai, I.","Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Locality: Setoda, Hiroshima, Japan","Acta Crystallographica, Section C","1985","41","","161","163","10.1107/S0108270185003158","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007710","5.8931","","5.4904","","4.7528","","90","","90","","90","","153.779","","","","","","","","","","","","synthetic: Merck ""pro analyse"" (batch number 0093820)","2","P b c m","-P 2c 2b","57","","","Massicot","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Hill, R. J.","Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica, Section C","1985","41","","1281","1284","10.1107/S0108270185007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007711","10.5","","10.5","","13.184","","90","","90","","120","","1258.8","","","","","","","","","","","","synthetic high-temperature form","4","R -3 m :H","-R 3 2""","166","","","Combeite","- Ca1.543 Na2.914 O9 Si3 -","- Ca1.5435 Na2.9145 O9 Si3 -","- Ca9.261 Na17.487 O54 Si18 -","6","0.166667","","Ohsato, H.; Maki, I.; Takeuchi, Y.","Structure of Na2CaSi2O6","Acta Crystallographica, Section C","1985","41","","1575","1577","10.1107/S0108270185008617","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007712","4.6117","","4.6117","","14.735","","90","","90","","120","","271.396","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007713","4.6618","","4.6618","","14.963","","90","","90","","120","","281.616","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Spherocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007714","5.781","","5.781","","10.06","","90","","90","","120","","291.162","","","","","","","","","","","","Kamioka mine, Gifu Prefecture, Japan","3","P 63 m c","P 6c -2c","186","","","Kamiokite","- Fe2 Mo3 O8 -","- Fe2 Mo3 O8 -","- Fe4 Mo6 O16 -","2","0.166667","","Kanazawa, Y.; Sasaki, A.","Structure of kamiokite Note: anisoB's taken from ICSD","Acta Crystallographica, Section C","1986","42","","9","11","10.1107/S0108270186097500","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007715","7.8759","","7.8758","","3.9545","","90","","90","","120","","212.431","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","Antarcticite","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007716","7.9596","","7.9596","","4.1243","","90","","90","","120","","226.289","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007717","10.464","","10.464","","13.168","","90","","90","","120","","1248.67","","","","","","","","","","","","synthetic low-temperature form","4","P 31 2 1","P 31 2""","152","","","Combeite","- Ca2 Na2 O9 Si3 -","- Ca2 Na2 O9 Si3 -","- Ca12 Na12 O54 Si18 -","6","1","","Ohsato, H.; Takeuchi, Y.; Maki, I.","Structure of Na4Ca4[Si6O18]","Acta Crystallographica, Section C","1986","42","","934","937","10.1107/S0108270186093940","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007718","6.03","","6.865","","9.12","","90","","90","","90","","377.531","","","","","","","","","","","","Mina La Farola, Chile","4","P n m a","-P 2ac 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Parise, J. B.; Hyde, B. G.","The structure of atacamite and its relationship to spinel","Acta Crystallographica, Section C","1986","42","","1277","1280","10.1107/S0108270186092570","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007719","9.513","","8.621","","5.354","","90","","105.14","","90","","423.849","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Namansilite","- Mn Na O6 Si2 -","- Mn Na O6 Si2 -","- Mn4 Na4 O24 Si8 -","4","0.5","","Ohashi, H.; Osawa, T.; Tsukimura, K.","Refinement of the structure of manganese sodium dimetasilicate Note: pyroxene Note: anisoB's from ICSD","Acta Crystallographica, Section C","1987","43","","605","607","10.1107/S0108270187094836","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007720","10.464","","10.464","","13.176","","90","","90","","120","","1249.42","","","","","","","","","","","","synthetic low-temperature form","4","P 31 2 1","P 31 2""","152","","","Combeite","- Ca3.8 Na4.4 O18 Si6 -","- Ca3.8 Na4.4 O18 Si6 -","- Ca11.4 Na13.2 O54 Si18 -","3","0.5","","Fischer, R. X.; Tillmanns, E.","Revised data for combeite, Na2Ca2Si3O9","Acta Crystallographica, Section C","1987","43","9","1852","1854","10.1107/S010827018708987X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007721","10.429","","10.429","","13.149","","90","","90","","120","","1238.54","","","","","","","","","","","","synthetic high-temperature form","4","R -3 m :H","-R 3 2""","166","","","Combeite","- Ca1.5 Na2.64 O9 Si3 -","- Ca1.5 Na2.64 O9 Si3 -","- Ca9 Na15.84 O54 Si18 -","6","0.166667","","Fischer, R. X.; Tillmanns, E.","Revised data for combeite, Na2Ca2Si3O9","Acta Crystallographica, Section C","1987","43","9","1852","1854","10.1107/S010827018708987X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007722","9.3359","","11.2185","","9.43","","90","","90","","90","","987.649","","","","","","","","","","","","","3","C 2 2 2","C 2 2","21","","","Godlevskite","- Fe0.561 Ni17.439 S16 -","- Fe0.561 Ni17.439 S16 -","- Fe1.122 Ni34.878 S32 -","2","0.25","","Fleet, M. E.","Structure of godlevskite, Ni9S8","Acta Crystallographica, Section C","1987","43","","2255","2257","10.1107/S0108270187088176","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007723","7.739","","7.739","","5.636","","90","","90","","90","","337.552","","","","","","","","","","","","Synthetic","2","P -4 21 c","P -4 2n","114","","","Sphaerobismoite","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Blower, S. K.; Greaves, C.","The structure of beta-Bi2O3 from powder neutron diffraction data","Acta Crystallographica, Section C","1988","44","","587","589","10.1107/S0108270187011661","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007724","5.192","","7.945","","16.51","","90","","100.24","","90","","670.197","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 Cl Cu N O3 -","- C3 Cl Cu N O3 -","- C12 Cl4 Cu4 N4 O12 -","4","1","","Norman, R. E.; Rose, N. J.; Stenkamp, R. E.","Mono-amino-acid-copper complexes: syntheses and structures of chloro(glycinato)(methanol)copper(II) and chloro(glycinato)(1-methylimidazole)copper(II)","Acta Crystallographica, Section C","1990","46","","1","6","10.1107/S0108270189005238","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007725","24.97","","4.009","","9.116","","90","","90","","90","","912.555","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 Cl Cu N3 O2 -","- C6 H10 Cl Cu N3 O2 -","- C24 H40 Cl4 Cu4 N12 O8 -","4","1","","Norman, R. E.; Rose, N. J.; Stenkamp, R. E.","Mono-amino-acid-copper complexes: syntheses and structures of chloro(glycinato)(methanol)copper(II) and chloro(glycinato) (1-methylimidazole)copper(II)","Acta Crystallographica, Section C","1990","46","","1","6","10.1107/S0108270189005238","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007726","5.178","","7.725","","7.935","","69.33","","79.74","","77.41","","288.044","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- N4 O8 Pt Tc2 -","- H12 N4 O8 Pt Tc2 -","- H12 N4 O8 Pt Tc2 -","1","0.5","","Rochon, F. D.; Kong, P. C.; Melanson, R.","Tetraammineplatinum(II) bis[pertechnetate(VII)]","Acta Crystallographica, Section C","1990","46","","8","10","10.1107/S0108270189004749","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007727","7.709","","11.028","","9.231","","108.25","","110.06","","79.77","","697.913","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cd2 H28 Na2 O32 P6 -","- Cd2 H28 Na2 O32 P6 -","- Cd2 H28 Na2 O32 P6 -","1","0.5","","Averbuch-Pouchot M T","Crystal chemistry of cyclo-hexaphosphates. V. structure of cadmium sodium cyclo-hexaphosphate tetradecahydrate","Acta Crystallographica, Section C","1990","46","","10","13","10.1107/S0108270189005160","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007729","7.444","","6.658","","7.759","","90","","93.57","","90","","383.807","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cu3 H2 O9 V2 -","- Cu3 H2 O9 V2 -","- Cu6 H4 O18 V4 -","2","0.5","","Leblanc, M.; Ferey, G.","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu3V2O8(H2O) and CuV2O6(H2O)2","Acta Crystallographica, Section C","1990","46","","15","18","10.1107/S0108270189004567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007731","7.514","","12.557","","4.888","","90","","90","","90","","461.199","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Muckeite","- Bi0.9 Cu Ni S3 Sb0.1 -","- Bi0.9 Cu Ni S3 Sb0.1 -","- Bi3.6 Cu4 Ni4 S12 Sb0.4 -","4","1","","Bente, K.; Doering, T.; Edenharter, A.; Kupcik, V.; Steins, M.; Wendschuh-Josties M","Structure of the new mineral muckeite, BiCuNiS3","Acta Crystallographica, Section C","1990","46","","127","128","10.1107/S0108270189008231","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007732","8.955","","6.265","","7.628","","90","","117.45","","90","","379.772","","","","","","","","","","","","Synthetic","5","C 1 2/m 1","-C 2y","12","","","Kaliochalcite","- Cu2 H3 K O10 S2 -","- Cu2 H3 K O10 S2 -","- Cu4 H6 K2 O20 S4 -","2","0.25","","Chevrier, G.; Giester, G.; Jarosch, D.; Zemann, J.","Neutron diffraction study of the hydrogen-bond system in Cu2K(H3O2)(SO4)2","Acta Crystallographica, Section C","1990","46","","175","177","10.1107/S0108270189005743","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007734","6.5378","","6.5378","","6.5378","","88.809","","88.809","","88.809","","279.265","","","","112","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Eu Mo6 S8 -","- Eu Mo6 S8 -","- Eu Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 112 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007735","6.4692","","6.5651","","6.5986","","89.179","","89.184","","88.009","","280.024","","","","40","","","","","","","","","3","P -1","-P 1","2","","","","- Eu Mo6 S8 -","- Eu Mo6 S8 -","- Eu Mo6 S8 -","1","0.5","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 40 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007736","6.6441","","6.6441","","6.6441","","88.562","","88.562","","88.562","","293.025","","","","177","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ba Mo6 S8 -","- Ba Mo6 S8 -","- Ba Mo6 S8 -","1","0.166667","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007737","6.5896","","6.65","","6.6899","","88.731","","88.818","","88.059","","292.859","","","","173","","","","","","","","","3","P -1","-P 1","2","","","","- Ba Mo6 S8 -","- Ba Mo6 S8 -","- Ba Mo6 S8 -","1","0.5","","Kubel, F.; Yvon, K.","Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 173 K","Acta Crystallographica, Section C","1990","46","","181","186","10.1107/S0108270189005913","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007738","9.369","","9.369","","9.731","","90","","90","","120","","739.732","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Co D12 F6 O6 Si -","- Co D12 F6 O6 Si -","- Co3 D36 F18 O18 Si3 -","3","0.166667","","Chevrier, G.; Saint-James R","Structure investigation by neutron diffraction of deuterated cobalt fluosilicate hexahydrate","Acta Crystallographica, Section C","1990","46","","186","189","10.1107/S0108270189006128","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007739","8.6464","","8.6464","","8.6464","","90","","90","","90","","646.407","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Al F6 H6 K O2 -","- Al F6 H6 K O2 -","- Al4 F24 H24 K4 O8 -","4","0.166667","","Frenzen, G.; Massa, W.","Kalium-dioxonium-hexafluoroaluminat","Acta Crystallographica, Section C","1990","46","","190","192","10.1107/S0108270189006529","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007740","3.7777","","26.6067","","5.429","","90","","90","","90","","545.68","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Na2 O7 W2 -","- Na2 O7 W2 -","- Na8 O28 W8 -","4","0.5","","Range, K. J.; Haase, H.","Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)","Acta Crystallographica, Section C","1990","46","","317","318","10.1107/S0108270189006104","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007741","4.868","","6.736","","9.359","","90","","90","","90","","306.89","","","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F H O3 S -","- F H O3 S -","- F4 H4 O12 S4 -","4","1","","Bartmann, K.; Mootz, D.","Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 123 K","Acta Crystallographica, Section C","1990","46","","319","320","10.1107/S0108270189010395","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007742","4.947","","11.26","","8.457","","90","","99.21","","90","","465.009","","","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H F3 O3 S -","- C H F3 O3 S -","- C4 H4 F12 O12 S4 -","4","1","","Bartmann, K.; Mootz, D.","Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 173 K","Acta Crystallographica, Section C","1990","46","","319","320","10.1107/S0108270189010395","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007743","10.3159","","10.3159","","10.3159","","90","","90","","90","","1097.8","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cl2 H12 Ni O12 -","- Cl2 H12 Ni O12 -","- Cl8 H48 Ni4 O48 -","4","0.166667","","Gallucci, J. C.; Gerkin, R. E.","The structure of hexaaquanickel(II) chlorate","Acta Crystallographica, Section C","1990","46","","350","354","10.1107/S0108270189006943","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007744","3.836","","3.883","","11.686","","90","","90","","90","","174.065","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba2 Cu2.941 O6.822 Y -","- Ba2 Cu2.941 O6.822 Y -","- Ba2 Cu2.941 O6.822 Y -","1","0.125","","Brodt, K.; Fuess, H.; Paulus, E. F.; Assmus, W.; Kowalewski, J.","Untwinned single crystals of the high-temperature superconductor YBa2Cu3O7-x","Acta Crystallographica, Section C","1990","46","","354","358","10.1107/S0108270189006803","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007745","8.214","","5.809","","10.984","","90","","119.39","","90","","456.651","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs H O4 S -","- Cs H O4 S -","- Cs4 H4 O16 S4 -","4","1","","Itoh, K.; Ukeda, T.; Ozaki, T.; Nakamura, E.","Redetermination of the structure of caesium hydrogensulfate","Acta Crystallographica, Section C","1990","46","","358","361","10.1107/S0108270189007249","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007746","7.64","","11.403","","5.965","","90","","90","","90","","519.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba H8 O5 -","- Ba H8 O5 -","- Ba4 H32 O20 -","4","0.5","","Lutz, H. D.; Kellersohn, T.; Vogt, T.","Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction","Acta Crystallographica, Section C","1990","46","","361","363","10.1107/S0108270189006761","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007747","5.683","","4.784","","14.648","","90","","90","","90","","398.242","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Li2 O5 Si2 -","- Li2 O5 Si2 -","- Li8 O20 Si8 -","4","0.5","","Smith, R. I.; Howie, R. A.; West, A. R.; Aragon-Pina A; Villafuerte-Castrejon M E","The structure of metastable lithium disilicate, Li2Si2O5","Acta Crystallographica, Section C","1990","46","","363","365","10.1107/S010827018900750X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007748","13.308","","7.769","","6.285","","90","","90","","90","","649.805","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- S4 Tm2 Zn -","- S4 Tm2 Zn -","- S16 Tm8 Zn4 -","4","0.5","","Lemoine, P.; Tomas, A.; Vovan, T.; Guittard, M.","Structure du sulfure de thulium et de zinc ZnTm2S4","Acta Crystallographica, Section C","1990","46","","365","368","10.1107/S0108270189007936","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007749","4.655","","4.655","","15.94","","90","","90","","90","","345.404","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- I2 Na4 O -","- I2 Na4 O -","- I4 Na8 O2 -","2","0.0625","","Sabrowsky, H.; Hippler, K.; Sitta, S.; Vogt, P.; Walz, L.","Structure of Na4OI2","Acta Crystallographica, Section C","1990","46","","368","369","10.1107/S0108270189007912","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007750","8.023","","11.29","","13.889","","90","","90","","90","","1258.06","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B2 Ba2 Cu O6 -","- B2 Ba2 Cu O6 -","- B16 Ba16 Cu8 O48 -","8","1","","Smith, R. W.; Keszler, D. A.","Structure of Ba2Cu(BO3)2","Acta Crystallographica, Section C","1990","46","","370","372","10.1107/S0108270189005950","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007752","4.5554","","4.5554","","5.5415","","90","","90","","120","","99.589","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2.26 Nb0.8 Ti2.94 -","- Al2.26 Nb0.8 Ti2.94 -","- Al2.26 Nb0.8 Ti2.94 -","1","0.0833333","","Shoemaker, C. B.; Shoemaker, D. P.; Bendersky, L. A.","Structure of omega-Ti3Al2.25Nb.75","Acta Crystallographica, Section C","1990","46","","374","377","10.1107/S0108270189008504","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007753","6.768","","6.768","","18.236","","90","","90","","120","","723.404","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- S3 Tm2 -","- S3 Tm2 -","- S18 Tm12 -","6","0.166667","","Range, K. J.; Drexler, H.; Gietl, A.; Klement, U.; Lange, K. G.","Tm2S3-V, a corundum-type modification of thulium sesquisulfide","Acta Crystallographica, Section C","1990","46","","487","488","10.1107/S0108270189012035","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007754","13.182","","7.589","","9.286","","90","","90","","90","","928.955","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo3 N2 O10 -","- Mo3 N2 O10 -","- Mo12 N8 O40 -","4","0.5","","Range, K. J.; Fassler, A.","Diammonium trimolybdate(VI), (NH4)2Mo3O10","Acta Crystallographica, Section C","1990","46","","488","489","10.1107/S0108270189012047","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007755","17.953","","9.99","","17.509","","90","","108.87","","90","","2971.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 Ge2 I9 N -","- C8 Ge2 I9 N -","- C32 Ge8 I36 N4 -","4","0.5","","Muller, V. U.; Krug, V.","Tetraethylammoniumiodid-germaniumtetraiodid(1/2), eine strukture mit einem von acht iodatomen koordinierten iodidion","Acta Crystallographica, Section C","1990","46","","523","525","10.1107/S0108270189008371","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007756","7.388","","7.889","","8.204","","64.43","","70.9","","62.74","","378.39","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H2 N3 O10 Y -","- H2 N3 O10 Y -","- H4 N6 O20 Y2 -","2","1","","Ribar, B.; Radivojevic, P.; Argay, G.; Kalman, A.","Structure of yttrium nitrate monohydrate","Acta Crystallographica, Section C","1990","46","","525","527","10.1107/S0108270189008711","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007757","23.698","","3.98","","24.466","","90","","93.9","","90","","2302.24","","","","","","","","","","","","Synthetic","3","I 1 2/m 1","-I 2y","12","","","Robinsonite","- Pb5.05 S13 Sb4.95 -","- Pb5.05 S13 Sb4.95 -","- Pb20.2 S52 Sb19.8 -","4","0.5","","Skowron, A.; Brown, I. D.","Refinement of the structure of robinsonite, Pb4Sb6S13","Acta Crystallographica, Section C","1990","46","","527","731","10.1107/S0108270189008322","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007758","23.49","","21.245","","4.02","","90","","90","","90","","2006.16","","","","","","","","","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Boulangerite","- Pb4.65 S11 Sb4.35 -","- Pb4.65 S11 Sb4.35 -","- Pb18.6 S44 Sb17.4 -","4","0.5","","Skowron, A.; Brown, I. D.","Refinement of the structure of boulangerite, Pb5Sb4S11","Acta Crystallographica, Section C","1990","46","","531","534","10.1107/S0108270189008334","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007759","11.355","","19.783","","4.042","","90","","90","","90","","907.979","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","","- Pb1.44 S5 Sb2.56 -","- Pb1.44 S5 Sb2.56 -","- Pb5.76 S20 Sb10.24 -","4","0.5","","Skowron, A.; Brown, I. D.","Structure of Pb2Sb2S5","Acta Crystallographica, Section C","1990","46","","534","536","10.1107/S0108270189008346","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007760","11.663","","3.6532","","8.92","","90","","90.91","","90","","380.009","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na0.56 O5 V2 -","- Na0.56 O5 V2 -","- Na2.24 O20 V8 -","4","0.5","","Kanke, Y.; Kato, K.; Takayama-Muromachi E; Isobe, M.","Structure of Na0.56V2O5","Acta Crystallographica, Section C","1990","46","","536","538","10.1107/S0108270189008589","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007761","9.062","","9.582","","9.405","","90","","112.96","","90","","751.958","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br4 Ca Mn O8 -","- Br4 Ca Mn O8 -","- Br8 Ca2 Mn2 O16 -","2","0.25","","Duhlev, R.; Brown, I. D.","Structure of calcium manganese(II) tetrabromide octahydrate","Acta Crystallographica, Section C","1990","46","","538","541","10.1107/S0108270189008899","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007762","6.41","","5.525","","9.293","","90","","90.69","","90","","329.09","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As Cl2 O3 Pb2 -","- As Cl2 O3 Pb2 -","- As2 Cl4 O6 Pb4 -","2","0.5","","Effenberger, H.; Miletich, R.; Pertlik, F.","Structure of dilead(II) hydrogenarsenate(III) dichloride","Acta Crystallographica, Section C","1990","46","","541","543","10.1107/S0108270189008863","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007763","10.788","","10.788","","13.46","","90","","90","","120","","1356.62","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ca1.003 Ge2 Na1.997 O6 -","- Ca1.00333 Ge2 Na1.99667 O6 -","- Ca9.03 Ge18 Na17.97 O54 -","9","0.25","","Nishi, F.; Takeuchi, Y.","Structure of sodium calcium germanate Na2CaGe2O6","Acta Crystallographica, Section C","1990","46","","544","546","10.1107/S0108270189009078","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007764","6.895","","8.113","","9.164","","90","","109.62","","90","","482.863","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cu2 O7 P2 -","- Cu2 O7 P2 -","- Cu8 O28 P8 -","4","0.5","","Effenberger, H.","Structural refinement of low-temperature copper(II) pyrophosphate","Acta Crystallographica, Section C","1990","46","","691","692","10.1107/S0108270189006463","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007765","9.22","","12.831","","13.906","","90","","90","","90","","1645.1","","","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As Na3 O15 S -","- As H24 Na3 O15 S -","- As4 H96 Na12 O60 S4 -","4","1","","Kempa, P. B.; Wiebcke, M.; Felsche, J.","Structure of trisodium monothioarsenate dodecahydrate Sample: T = 213 K","Acta Crystallographica, Section C","1990","46","","729","732","10.1107/S0108270189009650","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007766","17.255","","17.255","","17.255","","90","","90","","90","","5137.42","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C16 Co4 O16 Sn -","- C16 Co4 O16 Sn -","- C128 Co32 O128 Sn8 -","8","0.0833333","","Leigh, J. S.; Whitmire, K. H.","The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]","Acta Crystallographica, Section C","1990","46","","732","736","10.1107/S0108270189006025","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007767","12.184","","12.267","","17.22","","90","","90","","90","","2573.72","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 Co4 O16 Pb -","- C16 Co4 O16 Pb -","- C64 Co16 O64 Pb4 -","4","0.5","","Leigh, J. S.; Whitmire, K. H.","The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]","Acta Crystallographica, Section C","1990","46","","732","736","10.1107/S0108270189006025","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007768","4.496","","4.496","","4.496","","90","","90","","90","","90.882","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cl Na3 O -","- Cl Na3 O -","- Cl Na3 O -","1","0.0208333","","Hippler, K.; Sitta, S.; Vogt, P.; Sabrowsky, H.","Structure of Na3OCl","Acta Crystallographica, Section C","1990","46","","736","738","10.1107/S010827018900990X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007769","6.501","","7.882","","7.501","","107.18","","95.5","","116.2","","317.797","","","","153","","","","","","","","","4","P 1","P 1","1","","","","- H4 K O7 V -","- H4 K O7 V -","- H8 K2 O14 V2 -","2","2","","Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Schwendt, P.; Gyepesova, D.","Structure of dipotassium aquadioxotetraperoxodivanadate(V) trihydrate Sample: T = 153 K","Acta Crystallographica, Section C","1990","46","","738","741","10.1107/S0108270189009303","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007770","6.2019","","7.0213","","11.761","","90","","115.3","","90","","463.015","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H14 N4 O6 Ru S2 -","- H14 N4 O6 Ru S2 -","- H28 N8 O12 Ru2 S4 -","2","0.5","","Condren, S. M.; Cordes, A. W.; Durham, B.","Structure of cis-tetraamminebis(hydrogensulfito)ruthenium(II)","Acta Crystallographica, Section C","1990","46","","889","890","10.1107/S010827018901406X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007771","7.914","","12.806","","14.357","","90","","90","","90","","1455.03","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 Cl4 Hf O2 -","- C8 H16 Cl4 Hf O2 -","- C32 H64 Cl16 Hf4 O8 -","4","1","","Duraj, S. A.; Towns, R. L. R.; Baker, R. J.; Schupp, J.","Structure of cis-tetrachlorobis(tetrahydrofuran)hafnium(IV)","Acta Crystallographica, Section C","1990","46","","890","892","10.1107/S010827018901382X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007772","9.508","","9.428","","9.309","","78.86","","105.08","","120.13","","694.91","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 Cl2 Co N8 O10 -","- C12 H44 Cl2 Co N8 O10 -","- C12 H44 Cl2 Co N8 O10 -","1","0.5","","Ganesh, V.; Seshasayee, M.; Aravamudan, G.; Heijdenrijk, D.; Schenk, H.","Structure of hexaaquacobalt(II) dichloride bis(hexamethylenetetramine)* tetrahydrate","Acta Crystallographica, Section C","1990","46","","949","951","10.1107/S0108270189009832","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007773","7.825","","10.107","","15.322","","90","","103.92","","90","","1176.19","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H16 N3 O10 P2 -","- Cr H22 N3 O10 P2 -","- Cr4 H88 N12 O40 P8 -","4","1","","Haromy, T. P.; Linck, C. F.; Cleland, W. W.; Sundaralingam, M.","Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: a) meridional monoaquatriammine(pyrophosphato)-chromium(III) dihydrate","Acta Crystallographica, Section C","1990","46","","951","957","10.1107/S0108270189008401","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007774","8.695","","10.327","","11.913","","90","","97.81","","90","","1059.79","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H14 N3 O9 P2 -","- Cr H18 N3 O9 P2 -","- Cr4 H72 N12 O36 P8 -","4","1","","Haromy, T. P.; Linck, C. F.; Cleland, W. W.; Sundaralingam, M.","Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato) chromium(III)dihydrate dimer","Acta Crystallographica, Section C","1990","46","","951","957","10.1107/S0108270189008401","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007775","5.567","","16.81","","15.76","","90","","91.925","","90","","1474.01","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na2 O18 S3 Th -","- Na2 O18 S3 Th -","- Na8 O72 S12 Th4 -","4","1","","Habash, J.; Smith, A. J.","Structure of disodium triaquatri-u-sulfato-thorate(IV) trihydrate","Acta Crystallographica, Section C","1990","46","","957","960","10.1107/S0108270189006827","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007776","7.8346","","6.4729","","9.5817","","90","","93.768","","90","","484.862","","","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- Cl3 O6 Y -","- Cl3 H12 O6 Y -","- Cl6 H24 O12 Y2 -","2","0.5","","Bell, A. M. T.; Smith, A. J.","Structure of hexaaquadichloroyttrium(III) chloride","Acta Crystallographica, Section C","1990","46","","960","962","10.1107/S0108270189009236","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007777","6.578","","23.811","","6.61","","90","","90.57","","90","","1035.27","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C3 H8 Ag Ba O9 P -","- C3 H8 Ag Ba O9 P -","- C12 H32 Ag4 Ba4 O36 P4 -","4","1","","Weichsel, A.; Lis, T.","Structure of silver(I) barium phosphoenolpyruvate trihydrate","Acta Crystallographica, Section C","1990","46","","962","965","10.1107/S0108270189010188","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007779","7.767","","10.144","","7.225","","105.17","","102.76","","84.95","","535.566","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Ca H16 Li O13 P3 -","- Ca H16 Li O13 P3 -","- Ca2 H32 Li2 O26 P6 -","2","1","","Averbuch-Pouchot M T; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. X. structure of dicalcium dilithium cyclo-hexaphosphate octahydrate","Acta Crystallographica, Section C","1990","46","","968","970","10.1107/S0108270189010383","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007780","10.303","","5.668","","13.178","","90","","90","","90","","769.561","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","","","- Ba2 Cu1.1 Ho2 O8 Pt0.9 -","- Ba2 Cu1.1 Ho2 O8 Pt0.9 -","- Ba8 Cu4.4 Ho8 O32 Pt3.6 -","4","0.5","","Saito, Y.; Ukei, K.; Shishido, T.; Fukuda, T.","Structure of Ho2Ba2Cu1+xPt1-xO8(x=0.1)","Acta Crystallographica, Section C","1990","46","","970","972","10.1107/S0108270189006670","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007781","9.783","","9.586","","18.389","","95.3","","93.19","","118.12","","1504.77","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H11 N2.26 O32 Rb2.74 S6 -","- Fe3 H14 N2.26 O32 Rb2.74 S6 -","- Fe6 H28 N4.52 O64 Rb5.48 S12 -","2","1","","Mereiter K","Structure of a triclinic rubidium ammonium triaqua-u3-oxo-hexa-u-sulfato-triferrate(III) tetrahydrate, Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O","Acta Crystallographica, Section C","1990","46","","972","976","10.1107/S010827018901019X","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007782","3.354","","3.354","","14.431","","90","","90","","120","","140.59","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag0.616 Nb S2 -","- Ag0.616 Nb S2 -","- Ag1.232 Nb2 S4 -","2","0.0833333","","Van der Lee, A.; Wiegers, A.; Haange, R. J.; de Boer, J. L.","Structure of Ag0.6NbS2","Acta Crystallographica, Section C","1990","46","","976","979","10.1107/S0108270189010942","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007783","8.9003","","7.748","","9.6496","","90","","90.23","","90","","665.426","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- H2 I2 O7 Sr -","- H2 I2 O7 Sr -","- H8 I8 O28 Sr4 -","4","0.5","","Lutz, H. D.; Kellersohn, T.; Vogt, T.","Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study","Acta Crystallographica, Section C","1990","46","","979","981","10.1107/S0108270189010218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007784","4.254","","4.254","","8.542","","90","","90","","120","","133.871","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Pt Si -","- Mg2 Pt Si -","- Mg4 Pt2 Si2 -","2","0.0833333","","Range, K. J.; Rau, F.; Klement, U.","Dimagnesium platinum silicon","Acta Crystallographica, Section C","1990","46","","1092","1093","10.1107/S0108270189014150","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007785","5.003","","5.003","","11.143","","90","","90","","90","","278.909","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Er O4 V -","- Er O4 V -","- Er4 O16 V4 -","4","0.25","","Range, K. J.; Meister, H.","ErVO4-II, a scheelite-type high-pressure modification of erbium orthovanadate","Acta Crystallographica, Section C","1990","46","","1093","1094","10.1107/S0108270189014162","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007786","10.86","","9.323","","18.27","","90","","103","","90","","1802.39","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As3 H2 Na3 O10 -","- As3 H2 Na3 O10 -","- As24 H16 Na24 O80 -","8","1","","Driss, A.; Jouini, T.","Structure d'un triarseniate: Na3H2As3O10","Acta Crystallographica, Section C","1990","46","","1185","1188","10.1107/S0108270189010814","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007787","7.533","","9.268","","9.97","","90","","109.73","","90","","655.201","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo5 O8 Sn -","- Mo5 O8 Sn -","- Mo20 O32 Sn4 -","4","1","","Gougeon, P.; Potel, M.; Sergent, M.","Structure of SnMo5O8 containing bioctahedral Mo10 clusters","Acta Crystallographica, Section C","1990","46","","1188","1190","10.1107/S0108270189010759","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007789","10.354","","10.354","","5.1795","","90","","90","","90","","555.27","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ga2 Sn Ta5 -","- Ga2 Sn Ta5 -","- Ga8 Sn4 Ta20 -","4","0.125","","Ye, J.; Horiuchi, H.; Shishido, T.; Ukei, K.; Fukuda, T.","Structure of Ta5SnGa2","Acta Crystallographica, Section C","1990","46","","1193","1195","10.1107/S0108270189011303","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007790","6.7191","","18.798","","5.603","","90","","90","","90","","707.691","","","","","","","","","","","","","3","A e a m","-A 2 2ab","64","","","","- Ga Sn2 V2 -","- Ga Sn2 V2 -","- Ga8 Sn16 V16 -","8","0.5","","Ye, J.; Horiuchi, H.; Shishido, T.; Fukuda, T.","Structure of V2Sn2Ga","Acta Crystallographica, Section C","1990","46","","1195","1197","10.1107/S0108270189011169","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007791","7.973","","3.858","","5.753","","90","","90","","90","","176.961","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd Si -","- Gd Si -","- Gd4 Si4 -","4","0.5","","Nagaki, D. A.; Simon, A.","Structure of gadolinium monosilicide","Acta Crystallographica, Section C","1990","46","","1197","1199","10.1107/S0108270189011820","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007792","7.615","","7.615","","29.458","","90","","90","","90","","1708.22","","","","","","","","","","","","","4","P 41","P 4w","76","","","","- Li O16 Rb4 S4 -","- Li O16 Rb4 S4 -","- Li4 O64 Rb16 S16 -","4","1","","Zuniga, F. J.; Etxebarria, J.; Madariaga, G.; Breczewski, T.","Structure and absolute chirality of Rb4LiH3(SO4)4 at 293 K","Acta Crystallographica, Section C","1990","46","","1199","1202","10.1107/S0108270189011029","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007793","15.0263","","15.0263","","7.3971","","90","","90","","90","","1670.19","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ge8.5 Na4 O20 -","- Ge8.5 Na4 O20 -","- Ge34 Na16 O80 -","4","0.25","","Fleet, M. E.","Refinement of the structure of sodium enneagermanate (Na4Ge9O20)","Acta Crystallographica, Section C","1990","46","","1202","1204","10.1107/S0108270189011042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007794","3.8014","","3.8014","","34.2","","90","","90","","90","","494.212","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Lu O4 S5 U4 -","- Lu O4 S5 U4 -","- Lu2 O8 S10 U8 -","2","0.0625","","Jaulmes, P. S.; Julien-Pouzol M; Dugue, J.; Laruelle, P.; Vovan, T.; Guittard, M.","Structure de l'oxysulfure d'uranium et de lutecium, (USO)4LuS","Acta Crystallographica, Section C","1990","46","","1205","1207","10.1107/S0108270189011418","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007795","8.493","","30.369","","8.898","","90","","99.22","","90","","2265.36","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 Br4 P2 Ta -","- C16 H22 Br4 P2 Ta -","- C64 H88 Br16 P8 Ta4 -","4","1","","Hovnanian, N.; Hubert-Pfalzgraf L G; Borgne, G. L.","Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 1","Acta Crystallographica, Section C","1990","46","","1207","1209","10.1107/S0108270189011613","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007796","14.38","","19.17","","8.28","","90","","90","","90","","2282.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 Br4 P2 Ta -","- C16 H22 Br4 P2 Ta -","- C64 H88 Br16 P8 Ta4 -","4","1","","Hovnanian, N.; Hubert-Pfalzgraf L G; Borgne, G. L.","Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 2","Acta Crystallographica, Section C","1990","46","","1207","1209","10.1107/S0108270189011613","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007797","5.145","","5.145","","16.527","","90","","90","","90","","378.875","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Br2 K4 O -","- Br2 K4 O -","- Br4 K8 O2 -","2","0.0625","","Hippler, K.; Sitta, S.; Vogt, P.; Sabrowsky, H.; Walz, L.","Structure of K4OBr2","Acta Crystallographica, Section C","1990","46","","1359","1360","10.1107/S0108270189012369","","","","","","","","","","","","","","","","","","","","","has coordinates","282190","2023-04-02","06:54:32",""
"9007798","9.868","","10.082","","10.098","","90","","90","","90","","1004.64","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al H14 Na O9.25 Si3 -","- Al H4.5 Na O9.25 Si3 -","- Al4 H18 Na4 O37 Si12 -","4","0.5","","Hansen, S.; Hakansson, U.; Falth, L.","Structure of synthetic zeolite Na-P2","Acta Crystallographica, Section C","1990","46","","1361","1362","10.1107/S010827018901262X","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007799","9.9989","","9.9989","","10.0697","","90","","90","","90","","1006.75","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Al0.225 H5.5 Na0.444 O2.611 Si0.795 -","- Al0.225 H1.2218 Na0.4444 O2.6109 Si0.795 -","- Al1.8 H9.7744 Na3.5552 O20.8872 Si6.36 -","8","0.25","","Hakansson, U.; Falth, L.; Hansen, S.","Structure of a high-silica variety of zeolite Na-P","Acta Crystallographica, Section C","1990","46","","1363","1364","10.1107/S0108270189013260","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:52",""
"9007800","7.898","","5.96","","11.142","","90","","105.57","","90","","505.231","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H3 Na3 O5 Si -","- H3 Na3 O5 Si -","- H12 Na12 O20 Si4 -","4","1","","Schmid, R. L.; Felsche, J.","Structure of trisodium hydrogenorthosilicate monohydrate","Acta Crystallographica, Section C","1990","46","","1365","1368","10.1107/S0108270189011650","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007802","13.1043","","13.0569","","13.2463","","90","","90","","90","","2266.46","","","","13","","","","","","","","","7","P n c n","-P 2ab 2n","52","","","Thomsonite-Ca","- Al5 Ca1.88 H12 Na O26 Si5 Sr0.12 -","- Al5 Ca1.88 H12 Na O26 Si5 Sr0.12 -","- Al20 Ca7.52 H48 Na4 O104 Si20 Sr0.48 -","4","0.5","","Stahl, K.; Kvick, A.; Smith, J. V.","Thomsonite, a neutron diffraction study at 13 K Sample: T = 13 K","Acta Crystallographica, Section C","1990","46","","1370","1373","10.1107/S0108270189013259","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007803","10.0673","","14.047","","7.0673","","90","","90","","90","","999.425","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- K2 O10 Si4 Zn -","- K2 O10 Si4 Zn -","- K8 O40 Si16 Zn4 -","4","1","","Kohara, S.; Kawahara, A.","Structure of synthetic dipotassium zinc tetrasilicate","Acta Crystallographica, Section C","1990","46","","1373","1376","10.1107/S0108270189013351","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007805","7.4748","","9.9406","","7.5175","","90","","99.722","","90","","550.558","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu H4 O6 P2 -","- Cu H4 O6 P2 -","- Cu4 H16 O24 P8 -","4","1","","Sghyar, P. M.; Durand, J.; Cot, L.; Rafiq, M.","Structure de Cu(HPO3H)2","Acta Crystallographica, Section C","1990","46","","1378","1381","10.1107/S0108270189013703","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007806","8.8518","","9.1453","","12.5174","","90","","90","","90","","1013.31","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- K0.75 Mo Nb O12 P3 -","- K0.75 Mo Nb O12 P3 -","- K3 Mo4 Nb4 O48 P12 -","4","0.5","","Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.","Non-stoichiometry in the KMo2P3O12-tunnel structure: the oxide K0.75MoNbP3O12","Acta Crystallographica, Section C","1990","46","","1381","1383","10.1107/S0108270189013727","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007807","6.866","","13.19","","6.909","","90","","90","","90","","625.697","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","4","0.5","","Janczak, J.; Kubiak, R.; Glowiak, T.","Structure of barium copper pyrosilicate at 300 K","Acta Crystallographica, Section C","1990","46","","1383","1385","10.1107/S0108270189012618","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007808","10.268","","10.268","","10.268","","90","","90","","90","","1082.57","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 U -","- Be13 U -","- Be104 U8 -","8","0.0416667","","McElfresh, M. W.; Hall, J. H.; Ryan, R. R.; Smith, J. L.; Fisk, Z.","Structure of the heavy-fermion superconductor UBe13 Note: x-coordinate of U altered from reported value.","Acta Crystallographica, Section C","1990","46","","1579","1580","10.1107/S0108270189011236","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007809","7.874","","7.874","","5.423","","90","","90","","120","","291.18","","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","1","0.166667","","Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J.","Structure of nickel(II) perbromate hexahydrate at 296K","Acta Crystallographica, Section C","1990","46","","1580","1584","10.1107/S0108270189013533","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007810","9.94","","8.5483","","28.762","","90","","93.683","","90","","2438.86","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As8 Fe3 Na6.96 O28 -","- As8 Fe3 Na6.96 O28 -","- As32 Fe12 Na27.84 O112 -","4","0.5","","Masquelier, C.; d'Yvoire F; Rodier, N.","Structure of the sodium ion conductor Na7Fe3(As2O7)4","Acta Crystallographica, Section C","1990","46","","1584","1587","10.1107/S0108270189013697","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007811","15.463","","3.6477","","10.116","","90","","109.2","","90","","538.849","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O15 Pb V6 -","- O15 Pb V6 -","- O30 Pb2 V12 -","2","0.25","","Kata, K. V.; Kosuda, K.","Die Struktur der eindimensional fehlgeordneten blei-vanadiumbronze, Beta-Pb0.333V2O5","Acta Crystallographica, Section C","1990","46","","1587","1590","10.1107/S0108270190000579","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007812","3.6784","","11.612","","18.6332","","90","","90","","90","","795.891","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K O10 V4 -","- K O10 V4 -","- K4 O40 V16 -","4","0.25","","Kanke, Y.; Kato, K.; Takayama-Muromachi E; Isobe, M.; Kosuda, K.","Structure of K0.5V2O5","Acta Crystallographica, Section C","1990","46","","1590","1592","10.1107/S0108270189014228","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007813","13.341","","15.89","","21.395","","87.85","","77.18","","71.87","","4200.44","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C4 N2 Na7 Nb3 O83 P2 W15 -","- C4 N2 Na7 Nb3 O83 P2 W15 -","- C8 N4 Na14 Nb6 O166 P4 W30 -","2","1","","Finke, R. G.; Lyon, D. K.; Nomiya, K.; Weakley, T. J. R.","Structure of nonasodium alpha-triniobatopentadecawolframatodiphosphate- acetonitrile-water(1/2/23), Na9[P2W15Nb3O62].2CH3CN.23H2O","Acta Crystallographica, Section C","1990","46","","1592","1596","10.1107/S0108270190000038","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007814","4.696","","4.696","","7.559","","90","","90","","90","","166.694","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Na Rb S -","- Na Rb S -","- Na2 Rb2 S2 -","2","0.125","","Hippler, K.; Hitzbleck, R. D.; Sitta, S.; Vogt, P.; Wortmann, R.; Sabrowsky, H.","Structure of RbNaS","Acta Crystallographica, Section C","1990","46","","1596","1597","10.1107/S0108270190000075","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007815","3.314","","3.314","","12.097","","90","","90","","120","","115.057","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- S2 Ta -","- S2 Ta -","- S4 Ta2 -","2","0.0833333","","Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.","Structure of 2H-TaS2","Acta Crystallographica, Section C","1990","46","","1598","1599","10.1107/S0108270190000014","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007816","8.518","","12.46","","5.981","","92.3","","90.9","","102.7","","618.564","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F4 H4 K3 O10 V2 -","- F4 H4 K3 O10 V2 -","- F8 H8 K6 O20 V4 -","2","1","","Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Schwendt, P.; Gyepesova, D.","Structure of tripotassium u-fluoro-u-peroxo-bis(fluorooxoperoxovanadate)(3-) hydrogen fluoride dihydrate","Acta Crystallographica, Section C","1990","46","","1753","1755","10.1107/S0108270189011807","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007817","6.004","","12.504","","6.01","","90","","90","","90","","451.195","","","","","","","","","","","","","3","C c c e :1","C 2 2 -1ac","68","","","","- Cl2 O2 Pb -","- Cl2 O2 Pb -","- Cl16 O16 Pb8 -","8","0.5","","Okuda, M.; Ishihara, M.; Yamanaka, M.; Ohba, S.; Saito, Y.","Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (I)","Acta Crystallographica, Section C","1990","46","","1755","1759","10.1107/S010827019000066X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007818","7.471","","7.471","","9.98","","90","","90","","90","","557.042","","","","","","","","","","","","","3","P 42 m c","P 4c -2","105","","","","- Cl2 Mg O10 -","- Cl2 H12 Mg O10 -","- Cl4 H24 Mg2 O20 -","2","0.25","","Okuda, M.; Ishihara, M.; Yamanaka, M.; Ohba, S.; Saito, Y.","Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (II)","Acta Crystallographica, Section C","1990","46","","1755","1759","10.1107/S010827019000066X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007819","6.0754","","6.6796","","6.1226","","90","","90","","90","","248.463","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- Ag Cl O2 -","- Ag Cl O2 -","- Ag4 Cl4 O8 -","4","0.5","","Okuda, M.; Ishihara, M.; Yamanaka, M.; Ohba, S.; Saito, Y.","Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (III)","Acta Crystallographica, Section C","1990","46","","1755","1759","10.1107/S010827019000066X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007820","11.716","","11.486","","12.765","","90","","108.42","","90","","1629.78","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 Cl2 Co2 O8 Sn -","- C8 Cl2 Co2 O8 Sn -","- C32 Cl8 Co8 O32 Sn4 -","4","1","","Mackay, K. M.; Nicholson, B. K.; Service, M.","Structure of dichlorobis(tetracarbonylcobaltio)tin(IV)(2 Co-Sn)","Acta Crystallographica, Section C","1990","46","","1759","1761","10.1107/S0108270190001226","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007821","30","","11.272","","16.053","","90","","90","","90","","5428.48","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H12 Fe5 K7.64 N30 Na O10.47 -","- C25 H10.94 Fe5 K7.64 N30 Na O10.47 -","- C100 H43.76 Fe20 K30.56 N120 Na4 O41.88 -","4","0.5","","Marsh, R. E.","On the structure of 'potassium nitroprusside 0.8 hydrate'","Acta Crystallographica, Section C","1990","46","","1761","1763","10.1107/S0108270190000385","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9007822","6.916","","7.249","","10.798","","80.28","","90.52","","86.49","","532.472","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Bi Cr3 H2 N O12 -","- Bi Cr3 H2 N O12 -","- Bi2 Cr6 H4 N2 O24 -","2","1","","Riou, A.; Gerault, Y.; Cudennec, Y.","Ammonium bismuth chromate dichromate monohydrate","Acta Crystallographica, Section C","1990","46","","1915","1916","10.1107/S0108270190004310","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007823","3.418","","3.418","","25.28","","90","","90","","120","","255.771","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Co Fe Lu O4 -","- Co Fe Lu O4 -","- Co3 Fe3 Lu3 O12 -","3","0.0833333","","Isobe, M.; Kimizuka, N.; Iida, J.; Takekawa, S.","Structures of LuFeCoO4 and LuFe2O4","Acta Crystallographica, Section C","1990","46","","1917","1918","10.1107/S0108270190004784","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007824","3.4406","","3.4406","","25.28","","90","","90","","120","","259.165","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Fe2 Lu O4 -","- Fe2 Lu O4 -","- Fe6 Lu3 O12 -","3","0.0833333","","Isobe, M.; Kimizuka, N.; Iida, J.; Takekawa, S.","Structures of LuFeCoO4 and LuFe2O4","Acta Crystallographica, Section C","1990","46","","1917","1918","10.1107/S0108270190004784","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007825","7.674","","12.697","","14.606","","77.64","","80.68","","89.78","","1371.12","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 Cl4 N2 P Re S2 -","- C24 H20 Cl4 N2 P Re S2 -","- C48 H40 Cl8 N4 P2 Re2 S4 -","2","1","","Muller, V. U.; Vogler, S.; Dehnicke, K.; Fenske, D.","Tetraphenylphosphonium- und natrium-15-krone-5-tetrachloro- cyclodithiadiazenorhenat","Acta Crystallographica, Section C","1990","46","","1989","1992","10.1107/S0108270190002621","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007826","10.167","","15.241","","14.536","","90","","103.67","","90","","2188.62","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 Cl4 N2 Na O5 Re S2 -","- C10 H20 Cl4 N2 Na O5 Re S2 -","- C40 H80 Cl16 N8 Na4 O20 Re4 S8 -","4","1","","Muller, V. U.; Vogler, S.; Dehnicke, K.; Fenske, D.","Tetraphenylphosphonium- und natrium-15-krone-5-tetrachloro- cyclodithiadiazenorhenat","Acta Crystallographica, Section C","1990","46","","1989","1992","10.1107/S0108270190002621","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007827","7.3212","","12.7576","","13.5636","","90","","90","","90","","1266.85","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Er Fe N6 O4 -","- C6 Er Fe N6 O4 -","- C24 Er4 Fe4 N24 O16 -","4","0.25","","Dommann, A.; Vetsch, H.; Hulliger, F.; Petter, W.","Structure of ErFe(CN)6.4H2O","Acta Crystallographica, Section C","1990","46","","1992","1994","10.1107/S0108270190002682","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007828","7.7053","","7.7053","","14.8155","","90","","90","","120","","761.774","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C6 Cr La N6 O5 -","- C6 Cr La N6 O5 -","- C12 Cr2 La2 N12 O10 -","2","0.166667","","Dommann, A.; Vetsch, H.; Hulliger, F.","Structure of LaCr(CN)6.5H2O","Acta Crystallographica, Section C","1990","46","","1994","1996","10.1107/S0108270190002694","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007829","12.633","","7.348","","5.901","","90","","90","","90","","547.774","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe0.303 Mg0.697 S3 Si0.5 -","- Fe0.303 Mg0.697 S3 Si0.5 -","- Fe1.212 Mg2.788 S12 Si2 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4","Acta Crystallographica, Section C","1990","46","","1996","1998","10.1107/S0108270190002608","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007830","12.677","","7.405","","5.913","","90","","90","","90","","555.072","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe0.069 Mg0.931 S3 Si0.5 -","- Fe0.069 Mg0.931 S3 Si0.5 -","- Fe0.276 Mg3.724 S12 Si2 -","4","0.5","","Fuhrmann, J.; Pickardt, J.","Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4","Acta Crystallographica, Section C","1990","46","","1996","1998","10.1107/S0108270190002608","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007831","6.487","","7.84","","8.51","","92.11","","104.85","","99.47","","411.227","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- B7 Li3 O12 -","- B7 Li3 O12 -","- B14 Li6 O24 -","2","1","","Aidong, J.; Shirong, L.; Qingzhen, H.; Tianbin, C.; Deming, K.","Structure of lithium heptaborate, Li3B7O12","Acta Crystallographica, Section C","1990","46","","1999","2001","10.1107/S0108270190001809","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007832","3.908","","3.908","","11.647","","90","","90","","90","","177.878","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- Al0.64 Ba2 Ca0.485 Cu2.36 La0.515 O6.78 -","- Al0.64 Ba2 Ca0.485 Cu2.36 La0.515 O6.78 -","- Al0.64 Ba2 Ca0.485 Cu2.36 La0.515 O6.78 -","1","0.0625","","Hartweg, M.; Nick, B.; Walz, L.","Structure of (LaxCa1-x)Ba2Cu2(AlyCu10y)O6.78 with x = 0.52 and y = 0.64","Acta Crystallographica, Section C","1990","46","","2001","2003","10.1107/S0108270190002414","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007833","5.6106","","5.6106","","5.6106","","90","","90","","90","","176.615","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Laurite","- Ru S4 -","- Ru S4 -","- Ru4 S16 -","4","0.166667","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007834","5.9336","","5.9336","","5.9336","","90","","90","","90","","208.908","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se4 -","- Ru Se4 -","- Ru4 Se16 -","4","0.166667","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007835","12.821","","12.537","","7.029","","90","","90","","90","","1129.82","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ca H16 N2 O12 P3 -","- Ca H16 N2 O12 P3 -","- Ca4 H64 N8 O48 P12 -","4","1","","Averbuch-Pouchot M T","Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C","1990","46","","2005","2007","10.1107/S010827019000289X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007836","14.819","","7.708","","6.386","","90","","93.56","","90","","728.032","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo3 N O9 -","- Mo3 N O9 -","- Mo12 N4 O36 -","4","0.5","","Range, K. J.; Bauer, K.; Klement, U.","(NH4)Mo3O9, an ammonium molybdenum bronze","Acta Crystallographica, Section C","1990","46","","2007","2009","10.1107/S0108270190002633","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007838","6.867","","12.345","","27.527","","90","","90","","90","","2333.55","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Na1.333 O7 P2 Zr0.667 -","- Na1.33334 O7 P2 Zr0.66666 -","- Na21.3334 O112 P32 Zr10.6666 -","16","0.5","","Gali, S.; Byrappa, K.","Structure of (Na2/3Zr1/3)P2O7","Acta Crystallographica, Section C","1990","46","","2011","2013","10.1107/S0108270190001263","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007839","5.397","","8.525","","12.765","","90","","90","","90","","587.31","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","","","- Na O6 Se2 Y -","- Na O6 Se2 Y -","- Na4 O24 Se8 Y4 -","4","1","","Morris, R. E.; Hriljac, J. A.; Cheetham, A. K.","Synthesis and crystal structures of two novel selenites, NaY(SeO3)2 and NaLa(SeO3)2","Acta Crystallographica, Section C","1990","46","","2013","2017","10.1107/S0108270190002396","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007840","6.696","","6.761","","13.199","","90","","101.51","","90","","585.524","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La Na O6 Se2 -","- La Na O6 Se2 -","- La4 Na4 O24 Se8 -","4","1","","Morris, R. E.; Hriljac, J. A.; Cheetham, A. K.","Synthesis and crystal structures of two novel selenites, NaY(SeO3)2 and NaLa(SeO3)2","Acta Crystallographica, Section C","1990","46","","2013","2017","10.1107/S0108270190002396","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007841","6.519","","7.872","","6.238","","90","","90","","90","","320.119","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ga Li S2 -","- Ga Li S2 -","- Ga4 Li4 S8 -","4","1","","Leal-Gonzalez J; Melibary, S. S.; Smith, A. J.","Structure of lithium gallium sulfide, LiGaS2","Acta Crystallographica, Section C","1990","46","","2017","2019","10.1107/S0108270190002165","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007842","5.858","","5.858","","7.523","","90","","90","","120","","223.574","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","1","0.0833333","","Madariaga, G.; Breczewski, T.","Structure and phase transition of K3Na(CrO4)2","Acta Crystallographica, Section C","1990","46","","2019","2021","10.1107/S0108270190003572","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007843","5.12","","9.143","","9.586","","72.95","","77.74","","78.81","","415.042","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Ge5 Li4 O12 -","- Ge5 Li4 O12 -","- Ge10 Li8 O24 -","2","1","","Greenberg, B. L.; Loiacono, G. M.","Structure of Li4Ge5O12-a new compound in the Li2O-GeO2 system","Acta Crystallographica, Section C","1990","46","","2021","2026","10.1107/S0108270190002955","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007844","10.365","","9.278","","7.28","","108.39","","100.3","","96.02","","643.806","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H4 N3 O14 P3 -","- H4 N3 O14 P3 -","- H8 N6 O28 P6 -","2","1","","Durif, A.; Averbuch-Pouchot M T","Crystal chemistry of cyclo-hexaphosphates. VIII. structure of hydroxylammonium cyclo-hexaphosphate tetrahydrate","Acta Crystallographica, Section C","1990","46","","2026","2028","10.1107/S010827019000333X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007845","14.405","","16.077","","7.088","","90","","90","","90","","1641.5","","","","","","","","","","","","","5","B 2 m b","B -2b 2","40","","","","- Ba3 Ca Cu O17 Si6 -","- Ba3 Ca Cu O17 Si6 -","- Ba12 Ca4 Cu4 O68 Si24 -","4","0.5","","Angel, R. J.; Ross, N. L.; Finger, L. W.; Hazen, R. M.","Ba3CaCuSi6O17: a new {1B,11}[4Si6O17] chain silicate","Acta Crystallographica, Section C","1990","46","","2028","2030","10.1107/S0108270190003845","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007846","10.497","","10.403","","8.001","","107.16","","95.77","","105.53","","788.896","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F H6 K3 Mo4 O16 -","- F H6 K3 Mo4 O16 -","- F2 H12 K6 Mo8 O32 -","2","1","","Kamenar, B.; Kaitner, B.; Strukan, N.","Structure of potassium difluorooctamolybdate hexahydrate","Acta Crystallographica, Section C","1990","46","","2249","2251","10.1107/S0108270190005467","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007847","6.9481","","6.9481","","4.1565","","90","","90","","120","","200.66","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al3 Ge2 Ni Y3 -","- Al3 Ge2 Ni Y3 -","- Al3 Ge2 Ni Y3 -","1","0.0833333","","Zhao, J. T.; Parthe, E.","Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type","Acta Crystallographica, Section C","1990","46","","2273","2276","10.1107/S0108270190005194","","","","","","","","","","","","","","","","","","","","","has coordinates","205823","2020-10-21","18:00:00",""
"9007848","4.0504","","10.44","","5.7646","","90","","90","","90","","243.763","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al Ge Y -","- Al Ge Y -","- Al4 Ge4 Y4 -","4","0.25","","Zhao, J. T.; Parthe, E.","Structure of YAlGe and isotypic rare-earth-aluminium germanides","Acta Crystallographica, Section C","1990","46","","2276","2279","10.1107/S0108270190005571","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007849","2.9471","","10.593","","5.2564","","90","","90","","90","","164.098","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","Spertiniite","- Cu H2 O2 -","- Cu H2 O2 -","- Cu4 H8 O8 -","4","0.5","","Oswald, H. R.; Reller, A.; Schmalle, H. W.; Dubler, E.","Structure of copper(II) hydroxide, Cu(OH)2","Acta Crystallographica, Section C","1990","46","","2279","2284","10.1107/S0108270190006230","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007850","9.6513","","9.6513","","29.939","","90","","90","","120","","2415.12","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Cs5 Mo21 Se23 -","- Cs5 Mo21 Se23 -","- Cs10 Mo42 Se46 -","2","0.166667","","Gougeon, P.; Potel, M.; Sergent, M.","Structure of Cs5Mo21Se23 containing Mo21 clusters","Acta Crystallographica, Section C","1990","46","","2284","2287","10.1107/S0108270190005650","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007851","24.591","","19.757","","4.166","","90","","90","","90","","2024.03","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Pb1.79 Sb2.21 Se5 -","- Pb1.79 Sb2.21 Se5 -","- Pb14.32 Sb17.68 Se40 -","8","1","","Skowron, A.; Brown, I. D.","Structure of antimony lead selenide, Pb4Sb4Se10, a selenium analogue of cosalite","Acta Crystallographica, Section C","1990","46","","2287","2291","10.1107/S010827019000405X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007852","7.257","","6.457","","12.378","","90","","99.51","","90","","572.043","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Clinoclase","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","- As4 Cu12 H12 O28 -","4","1","","Eby, R. K.; Hawthorne, F. C.","Clinoclase and the geometry of [5]-coordinate Cu2+ in minerals","Acta Crystallographica, Section C","1990","46","","2291","2294","10.1107/S0108270190004723","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007853","4.378","","8.853","","11.233","","90","","90","","90","","435.373","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- F5 Sb Sr -","- F5 Sb Sr -","- F20 Sb4 Sr4 -","4","0.5","","Gravereau, P.; Mirambet, C.; Fournes, L.; Grannec, J.; Lozano, L.","Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)","Acta Crystallographica, Section C","1990","46","","2294","2297","10.1107/S0108270190005790","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007854","4.676","","9.313","","11.213","","90","","90","","90","","488.299","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Ba F5 Sb -","- Ba F5 Sb -","- Ba4 F20 Sb4 -","4","0.5","","Gravereau, P.; Mirambet, C.; Fournes, L.; Grannec, J.; Lozano, L.","Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)","Acta Crystallographica, Section C","1990","46","","2294","2297","10.1107/S0108270190005790","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007855","16.133","","3.612","","5.983","","90","","90","","90","","348.644","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 Ag N3 -","- C2 Ag N3 -","- C8 Ag4 N12 -","4","0.5","","Britton, D.","Silver dicyanamide, AgN(CN)2 - orthorhombic modification","Acta Crystallographica, Section C","1990","46","","2297","2299","10.1107/S0108270190005479","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007856","6.228","","14.6","","8.982","","90","","102.02","","90","","798.816","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 K2 O14 P -","- C6 H10 K2 O14 P -","- C12 H20 K4 O28 P2 -","2","1","","Krishnan, R.; Seshadri, T. P.","Structure of dipotassium galactose 1-phosphate pentahydrate","Acta Crystallographica, Section C","1990","46","","2299","2302","10.1107/S0108270190000737","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007857","11.074","","12","","9.585","","117.4","","70.41","","116.65","","997.283","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 Cl Co N4 O4 S2 -","- C19 Cl Co N4 O4 S2 -","- C38 Cl2 Co2 N8 O8 S4 -","2","1","","Ganesh, V.; Radha, A.; Seshasayee, M.","Structure of poly[u-(2,2'-dithiodibenzoato-O1,O2:O3:O4)- hexamethylenetetraminiocobalt(II)-]*","Acta Crystallographica, Section C","1990","46","","2302","2305","10.1107/S010827018900987X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007858","10.938","","12.487","","12.46","","90","","111.43","","90","","1584.17","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cl Cr Fe N2 O3 -","- C16 H13 Cl Cr Fe N2 O3 -","- C64 H52 Cl4 Cr4 Fe4 N8 O12 -","4","1","","Wang, Y. P.; Hwu, J. M.; Wang, S. L.","Structure of Cl(NO)2Cr(n5-C5H4)C(O)(n5-C5H4)Fe(n5-C5H5)","Acta Crystallographica, Section C","1990","46","","2305","2308","10.1107/S0108270190004474","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:06",""
"9007859","19.529","","29.559","","16.446","","90","","90","","90","","9493.58","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C18 H24 V -","- C18 H24 V -","- C432 H576 V24 -","24","1.5","","Braga, D.; Sabatino, P.","Bis(arene)vanadium complexes. A structural study Sample: 1","Acta Crystallographica, Section C","1990","46","","2308","2312","10.1107/S0108270190006539","","","","","","","","","","","","","","","","","","","","","has coordinates","198624","2020-10-21","18:00:00",""
"9007860","10.213","","18.518","","13.402","","90","","89.58","","90","","2534.58","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 K O2 V -","- C24 H36 K O2 V -","- C96 H144 K4 O8 V4 -","4","1","","Braga, D.; Sabatino, P.","Bis(arene)vanadium complexes. A structural study Sample: 2","Acta Crystallographica, Section C","1990","46","","2308","2312","10.1107/S0108270190006539","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007861","19.831","","9.266","","14.515","","90","","90.03","","90","","2667.19","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C14 I3 S4 -","- C14 H8 I3 S4 -","- C84 H48 I18 S24 -","6","0.75","","Watson, W. H.; Kashyap, R. P.","Structures of two dibenzotetrathiafulvalene (DBTTF) salts: (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3 Sample: Compound 1","Acta Crystallographica, Section C","1990","46","","2312","2316","10.1107/S0108270190004553","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007862","8.39","","9.667","","12.699","","95.07","","108.25","","112.5","","877.886","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 Cu N2 S6 -","- C16 H8 Cu N2 S6 -","- C32 H16 Cu2 N4 S12 -","2","1","","Watson, W. H.; Kashyap, R. P.","Structures of two dibenzotetrathiafulvalene (DBTTF) salts: (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3 Sample: Compound 2","Acta Crystallographica, Section C","1990","46","","2312","2316","10.1107/S0108270190004553","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007863","7.604","","17.408","","5.296","","90","","95.81","","90","","697.433","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Cousson, A.; Proust, J.; Pages, M.; Robert, F.; Rizkalla, E. N.","Structure of dibenzoatodioxouranium(VI)","Acta Crystallographica, Section C","1990","46","","2316","2318","10.1107/S0108270190002761","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007864","8.331","","8.899","","23.337","","90","","90","","90","","1730.15","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 O U -","- C21 H20 O U -","- C84 H80 O4 U4 -","4","1","","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Van den Bossche, G.; Kanellakopulos, B.","Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV)","Acta Crystallographica, Section C","1990","46","","2318","2320","10.1107/S0108270190005054","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007865","15.627","","13.936","","17.319","","90","","113.66","","90","","3454.66","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 Cl4 N6 Ru -","- C64 Cl4 N6 Ru -","- C128 Cl8 N12 Ru2 -","2","0.5","","Duff, C. M.; Heath, G. A.; Willis, A. C.","Structural characterization of the RuIII benzonitrile complexes (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]","Acta Crystallographica, Section C","1990","46","","2320","2324","10.1107/S0108270190004693","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007866","9.981","","10.895","","11.563","","80.86","","87.6","","88.64","","1240.16","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 Cl3 N3.5 Ru -","- C24.5 Cl3 N3.5 Ru -","- C49 Cl6 N7 Ru2 -","2","1","","Duff, C. M.; Heath, G. A.; Willis, A. C.","Structural characterization of the RuIII benzonitrile complexes (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]","Acta Crystallographica, Section C","1990","46","","2320","2324","10.1107/S0108270190004693","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007867","6.16","","26.727","","10.319","","90","","96.89","","90","","1686.63","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 Cl N2 O2 S2 Tc -","- C10 Cl N2 O2 S2 Tc -","- C40 Cl4 N8 O8 S8 Tc4 -","4","1","","Faggiani, R.; Lock, C. J. L.; Epps, L. A.; Kramer, A. V.; Brune, H. D.","{2,2'-dimethyl-1,1'-[(N,N'-2H2)-ethylenediamino]dipropane- 2-thiolato-N,N',S,S'}-oxotechnetium(V) chloride monodeuterate","Acta Crystallographica, Section C","1990","46","12","2324","2327","10.1107/S0108270190004085","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007868","8.415","","8.831","","17.633","","90","","99.66","","90","","1291.78","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 N2 O9 Ru -","- C10 H2 N2 O9 Ru -","- C40 H8 N8 O36 Ru4 -","4","1","","Okamoto, K.; Hidaka, J.; Iida, I.; Higashino, K.; Kanamori, K.","Structure of aqua(ethylenediaminetetraacetato)ruthenium(III)","Acta Crystallographica, Section C","1990","46","","2327","2329","10.1107/S0108270190004942","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007869","30.385","","10.047","","14.402","","90","","90","","90","","4396.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C45 As2 O8 Ru3 -","- C45 H37 As2 O8 Ru3 -","- C180 H148 As8 O32 Ru12 -","4","1","","Fun, H. K.; Bin Shawkataly, O.; Teohs, S. G.","The structure of 1,1,1,2,2,2,3,3-octacarbonyl-u-(1-3-n-cyclododeca-1,6,9- trien-1-yl-3-ylidene)-2,3-u-hydrido-3-[(As,As,As',As'-tetraphenyl)methylenebis (arsine)-As]-triangula-triruthenium(0)(3 Ru-Ru)","Acta Crystallographica, Section C","1990","46","","2329","2331","10.1107/S0108270190004565","","","","","","","","","","","","","","","","","","","","","has coordinates","282476","2023-04-06","11:33:50",""
"9007870","9.361","","11.852","","15.791","","108.54","","96.54","","106.07","","1556.44","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 O14 Ti3 -","- C20 H40 O14 Ti3 -","- C40 H80 O28 Ti6 -","2","1","","Laaziz, P. I.; Larbot, A.; Guizard, C.; Durand, J.; Cot, L.; Joffre, J.","Structure de Ti6(CH3COO)8(OPR)8O4","Acta Crystallographica, Section C","1990","46","","2332","2334","10.1107/S0108270190003134","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007871","21.793","","15.945","","18.648","","90","","99.45","","90","","6392.04","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H O10 P Ru3 -","- C29 H19 O10 P Ru3 -","- C232 H152 O80 P8 Ru24 -","8","1","","Evans, J.; Stroud, P. M.; Webster, M.","Structure of (nonacarbonyl-1K4C,2K3C,3K2C)-u-(hydrido-2:3K2H)-u- (methoxymethylidyne-2:3K2C)-(triphenylphosphine-3KP)-triangulo- triruthenium(3 Ru-Ru)","Acta Crystallographica, Section C","1990","46","","2334","2337","10.1107/S0108270190004371","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007872","11.238","","16.014","","14.522","","90","","90","","90","","2613.46","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 Li N2 -","- C12 H23 Li N2 -","- C96 H184 Li8 N16 -","8","1","","Hammel, A.; Schwarz, W.; Weidlein, J.","(n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*","Acta Crystallographica, Section C","1990","46","","2337","2339","10.1107/S0108270190003997","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007873","11.311","","11.541","","18.805","","99.61","","103.21","","70.93","","2247.31","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C45 Co3 O13 P2 -","- C45 H33 Co3 O13 P2 -","- C90 H66 Co6 O26 P4 -","2","1","","Maginn, S. J.","Structure of 1,1,1,2,2,3,3-heptacarbonyl-1,2,3-u3-ethylidyne-2,3- bis(triphenyl-phosphite)-triangulo-tricobalt(0)","Acta Crystallographica, Section C","1990","46","","2339","2341","10.1107/S0108270190003286","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007874","7.499","","26.895","","4.705","","90","","90","","90","","948.931","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N Na O3 S2 -","- C7 H6 N Na O3 S2 -","- C28 H24 N4 Na4 O12 S8 -","4","1","","Penavic, M.; Jovanovski, G.; Grupce, O.","Structure of sodium thiosaccharinate monohydrate","Acta Crystallographica, Section C","1990","46","","2341","2344","10.1107/S0108270190003559","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007875","11.546","","17.749","","13.724","","90","","100.91","","90","","2761.62","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 Cl2 N5 Pd S10 -","- C15 H15 Cl2 N5 Pd S10 -","- C60 H60 Cl8 N20 Pd4 S40 -","4","1","","Raper, E. S.; Britton, A. M.; Clegg, W.","Structure of tetrakis(2,3-dihydro-1,3-thiazole-2-thione)palladium(II) dichloride 2,3-dihydro-1,3-thiazole-2-thione solvate","Acta Crystallographica, Section C","1990","46","","2344","2346","10.1107/S0108270190003511","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007876","31.869","","11.425","","18.215","","90","","96.56","","90","","6588.72","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 Cl3 Cu I3 N4 S3 -","- C22 H25 Cl3 Cu I3 N4 S3 -","- C176 H200 Cl24 Cu8 I24 N32 S24 -","8","1","","Alyea, E. C.; Ferguson, G.; Jennings, M. C.; Xu, Z.","Structure of a copper(I) complex of a tripodal schiff-base ligand, {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) triiodide chloroform solvate","Acta Crystallographica, Section C","1990","46","","2347","2349","10.1107/S0108270190004024","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007877","9.153","","8.858","","8.317","","123.54","","92.25","","109.31","","508.871","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 Br2 N8 O2 Pd -","- C16 Br2 N8 O2 Pd -","- C16 Br2 N8 O2 Pd -","1","0.5","","Hage, R.; de Graaff, R. A. G.; Haasnoot, J. G.; Kieler, K.; Reedijk, J.","Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a] pyrimidine)-palladium(II) methanol solvate","Acta Crystallographica, Section C","1990","46","","2349","2351","10.1107/S0108270190005042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007878","4.586","","8.539","","8.525","","87.66","","89.21","","89.8","","333.526","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 Li O6 -","- C5 H6 Li O6 -","- C10 H12 Li2 O12 -","2","1","","Jessen, S. M.; Kuppers, H.","The structure of dilithium dihydrogen 1,2,4,5,-benzenetetracarboxylate tetrahydrate (dilithium dihydrogen pyromellitate tetrahydrate)","Acta Crystallographica, Section C","1990","46","","2351","2354","10.1107/S0108270190004863","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9007879","9.599","","15.344","","8.944","","100.47","","113.93","","81.37","","1179.77","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C30 Co4 N24 O2 -","- C30 Co4 N24 O2 -","- C30 Co4 N24 O2 -","1","1","","Takazawa, H.; Ohba, S.; Saito, Y.; Ichida, H.; Rasmussen, K.","Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)- cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]- [Co(CN)6].H20","Acta Crystallographica, Section C","1990","46","","2354","2357","10.1107/S0108270190004395","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007881","11.802","","11.802","","11.802","","90","","90","","90","","1643.87","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al Mg3 Pt2 -","- Al Mg3 Pt2 -","- Al16 Mg48 Pt32 -","16","0.0833333","","Range, K. J.; Rau, F.; Klement, U.","Aluminium trimagnesium diplatinum","Acta Crystallographica, Section C","1990","46","","2454","2455","10.1107/S0108270190006151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007882","11.662","","9.136","","8.007","","90","","90","","90","","853.098","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Er5 Sb3 -","- Er5 Sb3 -","- Er20 Sb12 -","4","0.5","","Borzone, G.; Fornasini, M. L.","Structure of Er5Sb3","Acta Crystallographica, Section C","1990","46","","2456","2457","10.1107/S0108270190005583","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007883","12.664","","7.563","","9.914","","90","","91.32","","90","","949.289","","","","","","","","","","","","Roughton Gill, England","5","I 1 2/a 1","-I 2ya","15","","","Liroconite","- Al As Cu2 H12 O12 -","- Al As Cu2 H12 O12 -","- Al4 As4 Cu8 H48 O48 -","4","0.5","","Burns, P. C.; Eby, R. K.; Hawthorne, F. C.","Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral","Acta Crystallographica, Section C","1991","47","","916","919","10.1107/S0108270190010939","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007884","8.334","","11.212","","18.668","","90","","90","","90","","1744.35","","","","","","","","","","","","Democratic Republic of the Congo","4","F d d d :2","-F 2uv 2vw","70","","","Soddyite","- H4 O10 Si U2 -","- H4 O10 Si U2 -","- H32 O80 Si8 U16 -","8","0.25","","Demartin, F.; Gramaccioli, C. M.; Pilati, T.","The importance of accurate crystal structure determination of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O","Acta Crystallographica, Section C","1992","48","","1","4","10.1107/S0108270191004481","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9007886","8.455","","13.052","","9.267","","90","","124.89","","90","","838.836","","","","","","","","","","","","Synthetic","1","P 1 2/c 1","-P 2yc","13","","","Rosickyite","- S8 -","- S8 -","- S32 -","4","1","","Gallacher, A. C.; Pinkerton, A. A.","A redetermination of monoclinic gamma-sulfur Note: known as gamma sulfur","Acta Crystallographica, Section C","1993","49","","125","126","10.1107/S0108270192009661","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007887","5.578","","15.006","","6.275","","90","","117.83","","90","","464.488","","","","","","","","","","","","Synthetic","7","I 1 2/a 1","-I 2ya","15","","","Churchite-(Y)","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- Dy0.112 Er0.072 Gd0.028 H16 O24 P4 Y3.788 -","4","0.5","","Kohlmann, M.; Sowa, H.; Reithmayer, K.; Schulz, H.; Kruger, R. R.; Abriel, W.","Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum","Acta Crystallographica, Section C","1994","50","","1651","1652","10.1107/S0108270194000806","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007888","10.076","","10.076","","6.807","","90","","90","","120","","598.498","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","Turneaureite","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","Wardojo, T. A.; Hwu, S.-J.","Chlorapatite: Ca5(AsO4)3Cl Note: anisotropic temperature factors taken from ICSD","Acta Crystallographica, Section C","1996","52","","2959","2960","10.1107/S0108270196011006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011340","7.0221","","7.0221","","18.0912","","90","","90","","90","","892.075","","","","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","Uramphite (deuterated)","- D6 H4 N O9 P U -","- D10 N O9 P U -","- D40 N4 O36 P4 U4 -","4","0.25","","Fitch, A. N.; Fender, B. E. F.","The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO4*3D2O by powder neutron diffraction","Acta Crystallographica, Section C","1983","39","","162","166","10.1107/S0108270183003972","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011341","9.119","","9.119","","9.119","","69.24","","69.24","","69.24","","639.924","","","","","","","","","","","","peridotite nodules, Bultfonten kimblerlite, South Africa","13","R -3 :R","-P 3*","148","","","Mathiasite","- Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","- Ba0.14 Ca0.3 Cr3.1002 Fe2.2002 K0.62 Mg1.3334 Na0.14 Nb0.2334 O38 Sr0.1 Ti12.9 V0.2334 Zr0.7 -","1","0.166667","","Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.","Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa","Acta Crystallographica, Section C","1983","39","","421","422","10.1107/S0108270183004965","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011342","11.955","","10.039","","5.639","","89.78","","100.36","","91.34","","665.556","","","","","","","","","","","","","6","P -1","-P 1","2","","","Demesmaekerite","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","- Cu5 H10 O30 Pb2 Se6 U2 -","1","0.5","","Ginderow, D.; Cesbron, F.","Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O Locality: Musoni, Kolwezi, Shaba, Zaire Note: anisoB's from ICSD","Acta Crystallographica, Section C","1983","39","","824","827","10.1107/S0108270183006496","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9011343","8.1184","","8.1184","","8.1184","","90","","90","","90","","535.071","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","Barium nitrate","Nitrobarite","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011344","7.7813","","7.7813","","7.7813","","90","","90","","90","","471.147","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","952","956","10.1107/S0108270183006976","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9011345","3.595","","3.595","","5.845","","90","","90","","120","","65.42","","","","300","","","","2940000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Nitrogen","- N2 -","- N1.99998 -","- N7.99992 -","4","0.166667","","Schiferl, D.; Cromer, D. T.; Ryan, R. R.; Larson, A. C.; LeSar, R.; Mills, R. L.","Structure of N2 at 2.94 GPa and 300 K Sample: at T = 300 K and P = 2.94 GPa","Acta Crystallographica, Section C","1983","39","","1151","1153","10.1107/S0108270183007726","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011346","11.152","","11.152","","16.24","","90","","90","","90","","2019.72","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","Paceite","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","","Klop, E. A.; Duisenberg, A. J. M.; Spek, A. L.","Reinvestigation of the structure of calcium copper acetate hexahydrate, CaCu(C2H3O2)4*6H2O","Acta Crystallographica, Section C","1983","39","","1342","1344","10.1107/S010827018300846X","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011347","20.397","","5.412","","9.161","","90","","90","","90","","1011.27","","","","","","","","","","","","Synthetic","4","P n 21 a","P -2ac -2n","33","","","Buchwaldite","- Ca Na O4 P -","- Ca Na O4 P -","- Ca12 Na12 O48 P12 -","12","3","","Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P.","Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic","Acta Crystallographica, Section C","1983","39","","1483","1485","10.1107/S0108270183008963","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011348","5.57","","19.088","","5.965","","90","","90","","90","","634.2","","","","","","","","","","","","Musoni, Shaba, Ziare","5","P n 21 m","P -2 -2bc","31","","","Derriksite","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Ginderow, D.; Cesbron, F.","Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Note: anisoB's from ICSD","Acta Crystallographica, Section C","1983","39","","1605","1607","10.1107/S0108270183009439","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011349","19.047","","4.053","","10.318","","90","","110.25","","90","","747.292","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","Onoratoite","- Cl O5.27 Sb4 -","- Cl O5.27 Sb4 -","- Cl4 O21.08 Sb16 -","4","0.5","","Menchetti, S.; Sabelli, C.; Trosti-Ferroni R","The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD, corrected","Acta Crystallographica, Section C","1984","40","","1506","1510","10.1107/S0108270184008532","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011350","9.618","","13.148","","4.078","","90","","90","","90","","515.694","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Cl H9.04 O8.54 Sb4 -","- Cl H6.04 O8.54 Sb4 -","- Cl2 H12.08 O17.08 Sb8 -","2","0.125","","Menchetti, S.; Sabelli, C.; Trosti-Ferroni R","The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD","Acta Crystallographica, Section C","1984","40","","1506","1510","10.1107/S0108270184008532","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011351","5.4822","","16.1986","","5.5091","","90","","90","","90","","489.23","","","","","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","","","Koechlinite","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","1","","Teller, R. G.; Brazdil, J. F.; Grasselli, R. K.; Jorgensen, J. D.","The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction Locality: synthetic","Acta Crystallographica, Section C","1984","40","","2001","2005","10.1107/S0108270184010398","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011352","9.8607","","7.1071","","6.0737","","90","","93.758","","90","","424.736","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Bischofite","- Cl2 H12 Mg O6 -","- Cl2 H12 Mg O6 -","- Cl4 H24 Mg2 O12 -","2","0.25","","Agron, P. A.; Busing, W. R.","Magnesium dichloride hexahydrate, MgCl2*6H2O, by neutron diffraction","Acta Crystallographica, Section C","1985","41","","8","10","10.1107/S0108270185002591","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011353","9.786","","7.621","","4.776","","90","","90.61","","90","","356.17","","","","","","","","","","","","Stoko, Brevig, Langesundfjord, Norway","7","P 1 21/a 1","-P 2yab","14","","","Homilite","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B4 Ca4 Fe1.8 H0.28 Mn0.06 O20 Si4 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","Structure of homilite, Ca2.00(Fe0.90Mn0.03)B2.00Si2.00O9.86(OH)0.14 Note: anisoB's form ICSD","Acta Crystallographica, Section C","1985","41","","13","15","10.1107/S010827018500261X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011354","7.767","","6.924","","7.85","","92.16","","90.89","","93.48","","421.018","","","","","","","","","","","","Shinkolobwe, Province du Shaba, Zaire","5","P -1","-P 1","2","","","Roubaultite","- C2 H10 Cu2 O20 U3 -","- C2 H10 Cu2 O20 U3 -","- C2 H10 Cu2 O20 U3 -","1","0.5","","Ginderow, D.; Cesbron, F.","Structure de la roubaultite, Cu2(UO2)3(CO3)2O2(OH)2(H2O)4 Note: anisoB's from ICSD","Acta Crystallographica, Section C","1985","41","","654","657","10.1107/S0108270185004991","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011355","9.105","","9.105","","9.105","","90","","90","","90","","754.814","","","","","","","","","","","","Sary-Sang, Afghanistan","7","P -4 3 n","P -4n 2 3","218","","","Lazurite","- Al2.97 Ca0.8 Mg0.36 Na3.12 O15.12 S Si3.03 -","- Al2.97 Ca0.8 Mg0.36 Na3.12 O15.12 S Si3.03 -","- Al5.94 Ca1.6 Mg0.72 Na6.24 O30.24 S2 Si6.06 -","2","0.0833333","","Hassan, I.; Peterson, R. C.; Grundy, H. D.","The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group","Acta Crystallographica, Section C","1985","41","","827","832","10.1107/S0108270185005662","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011356","9.054","","9.054","","9.054","","90","","90","","90","","742.201","","","","","","","","","","","","Baffin Island","6","P -4 3 n","P -4n 2 3","218","","","Lazurite","- Al2.91 Ca0.6 Na3.48 O11.52 S Si3.09 -","- Al2.91 Ca0.6 Na3.48 O11.52 S Si3.09 -","- Al5.82 Ca1.2 Na6.96 O23.04 S2 Si6.18 -","2","0.0833333","","Hassan, I.; Peterson, R. C.; Grundy, H. D.","The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group","Acta Crystallographica, Section C","1985","41","","827","832","10.1107/S0108270185005662","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011357","6.4384","","6.4384","","6.4384","","90","","90","","90","","266.891","","","","120","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Altaite","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 120 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011358","6.4541","","6.4541","","6.4541","","90","","90","","90","","268.848","","","","298","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Altaite","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011359","6.1054","","6.1054","","6.1054","","90","","90","","90","","227.584","","","","120","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Clausthalite","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 120 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011360","6.1213","","6.1213","","6.1213","","90","","90","","90","","229.367","","","","298","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Clausthalite","- Pb Se -","- Pb Se -","- Pb4 Se4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011361","6.984","","7.786","","7.266","","90","","117.68","","90","","349.889","","","","","","","","","","","","silicified barite vein, Reichenbach, Odenwald, Germany","5","P 1 21/n 1","-P 2yn","14","","","Hentschelite","- Cu Fe2 H2 O10 P2 -","- Cu Fe2 H2 O10 P2 -","- Cu2 Fe4 H4 O20 P4 -","2","0.5","","Sieber, N. H. W.; Tillmanns, E.; Hofmeister, W.","Structure of hentschelite, CuFe2(PO4)2(OH)2, a new member of the lazulite group Locality: silicified barite vein, Reichenbach, Odenwald, Germany","Acta Crystallographica, Section C","1987","43","","1855","1857","10.1107/S0108270187089868","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011362","10.4646","","12.866","","24.486","","90","","90","","90","","3296.74","","","","298","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","Sulfur","- S8 -","- S8 -","- S128 -","16","0.5","","Rettig, S. J.; Trotter, J.","Refinement of the structure of orthorhombic sulfur, alpha-S8 Locality: synthetic Sample: at T = 298 K Note: alpha phase","Acta Crystallographica, Section C","1987","43","","2260","2262","10.1107/S0108270187088152","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011363","10.4646","","12.866","","24.486","","90","","90","","90","","3296.74","","","","298","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","Sulfur","- S8 -","- S8 -","- S128 -","16","0.5","","Rettig, S. J.; Trotter, J.","Refinement of the structure of orthorhombic sulfur, alpha-S8 Locality: synthetic Sample: at T = 298 K Note: alpha phase Note: coordinate positions of atoms correspond to high-angle refinements","Acta Crystallographica, Section C","1987","43","","2260","2262","10.1107/S0108270187088152","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011364","15.909","","7.002","","6.665","","90","","97.27","","90","","736.478","","","","","","","","","","","","Bois Noirs du Puy-de-Dome, France","5","P 1 21 1","P 2yb","4","","","Uranophane - alpha","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca2 H24 O34 Si4 U4 -","2","1","","Ginderow, D.","Structure de l'uranophane alpha, Ca(UO2)2(SiO3OH)2*5H2O","Acta Crystallographica, Section C","1988","44","","421","424","10.1107/S0108270187011491","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011365","10.022","","7.217","","24.224","","90","","98.42","","90","","1733.21","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Moorhouseite","- Co H12 O10 S -","- Co H12 O10 S -","- Co8 H96 O80 S8 -","8","1","","Elerman, Y.","Refinement of the crystal structure of CoSO4*6H2O","Acta Crystallographica, Section C","1988","44","","599","601","10.1107/S0108270187012447","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011366","6.78","","6.78","","18.285","","90","","90","","90","","840.532","","","","","","","","","","","","Synthetic","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Angel, R. J.; Finger, L. W.","Polymorphism of nickel sulfate hexahydrate","Acta Crystallographica, Section C","1988","44","","1869","1873","10.1107/S0108270188006717","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011367","9.88","","7.228","","24.13","","90","","98.38","","90","","1704.79","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Nickelhexahydrite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H96 Ni8 O80 S8 -","8","1","","Angel, R. J.; Finger, L. W.","Polymorphism of nickel sulfate hexahydrate","Acta Crystallographica, Section C","1988","44","","1869","1873","10.1107/S0108270188006717","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:23",""
"9011368","10.412","","10.414","","6.291","","90","","90","","119.8","","591.935","","","","","","","","","","","","Nlende, Kribi, Cameroon","6","P 1 1 21","P 2c","4","","","Remondite-(Ce)","- C5 Ca1.16 Ce1.2 Na3.4 O15 Sr0.24 -","- C5 Ca1.16 Ce1.2 Na3.4 O15 Sr0.24 -","- C10 Ca2.32 Ce2.4 Na6.8 O30 Sr0.48 -","2","1","","Ginderow, D.","Structure de Na3M3(CO3)5 (M = Terre Rare, Ca Na Sr), rattache a la burbankite","Acta Crystallographica, Section C","1989","45","","185","187","10.1107/S0108270188009898","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011369","9.167","","12.405","","6.305","","90","","106.71","","90","","686.707","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Mohrite","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Figgis, B. N.; Kucharski, E. S.; Reynolds, P. A.; Tasset, F.","The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction","Acta Crystallographica, Section C","1989","45","","942","944","10.1107/S0108270188013903","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011370","10.444","","18.01799","","6.291","","90","","90","","90","","1183.84","","","","","","","","","","","","Nlende, Kribi, Cameroon","6","C m c 21","C 2c -2","36","","","Remondite-(Ce)","- C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 -","- C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 -","- C20 Ca4.6 Ce4.88 Na13.6 O60 Sr0.96 -","4","0.5","","Marsh, R. E.","Structure of Na3M3(CO3)5. Corrigendum","Acta Crystallographica, Section C","1989","45","","1840","1840","10.1107/S0108270189005718","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011372","11.401","","14.148","","3.758","","90","","90","","90","","606.17","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Lemoine, P.; Carre, D.; Robert, F.","Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)","Acta Crystallographica, Section C","1991","47","","938","940","10.1107/S0108270190012124","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011373","5.135","","5.135","","33.882","","90","","90","","90","","893.408","","","","","","","","","","","","Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy","5","I 41/a :2","-I 4ad","88","","","Paraniite-(Y)","- As Ca2 O12 W2 Y -","- As Ca2 O12 W2 Y -","- As4 Ca8 O48 W8 Y4 -","4","0.25","","Demartin, F.; Gramaccioli, C. M.; Pilati, T.","Structure of a new natural tungstate arsenate, [Ca2Y(AsO4)(WO4)2], structurally related to scheelite Locality: Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy Note: anisoU's from ICSD","Acta Crystallographica, Section C","1992","48","","1357","1359","10.1107/S0108270192003688","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011374","12.001","","12.001","","12.001","","90","","90","","90","","1728.43","","","","","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","Wadalite","- Al4.44 Ca5.76 Cl2.76 Fe0.48 Mg0.24 O16 Si2.08 -","- Al4.44 Ca5.76 Cl2.76 Fe0.48 Mg0.24 O16 Si2.08 -","- Al17.76 Ca23.04 Cl11.04 Fe1.92 Mg0.96 O64 Si8.32 -","4","0.0833333","","Tsukimura, K.; Kanazawa, Y.; Aoki, M.; Bunno, M.","Structure of wadalite Ca6Al5Si2O16Cl3 Note: the values for the anisoU's are from ICSD","Acta Crystallographica, Section C","1993","49","","205","207","10.1107/S0108270192005481","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011377","6.452","","6.559","","6.286","","61.6","","118.72","","105.86","","204.867","","","","","","","","","","","","","5","P 1","P 1","1","","","Hilgardite-1A","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Burns, P. C.; Hawthorne, F. C.","Refinement of the structure of hilgardite-1A Locality: Penobsquis potash deposit, Sussex, New Brunswick","Acta Crystallographica, Section C","1994","50","","653","655","10.1107/S0108270193010182","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9011378","9.487","","9.179","","10.666","","90","","90","","90","","928.808","","","","","","","","","","","","synthetic Ca2SiO3OHOH","4","P b c a","-P 2ac 2ab","61","","","Poldervaartite","- Ca2 H2 O5 Si -","- Ca2 H2 O5 Si -","- Ca16 H16 O40 Si8 -","8","1","","Marsh, R. E.","A revised structure for alpha-dicalcium silicate hydrate","Acta Crystallographica, Section C","1994","50","","996","997","10.1107/S0108270194001721","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011381","9.5394","","8.5756","","5.2508","","90","","110.124","","90","","403.324","","","","273","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","1","","Sato, A.; Osawa, T.; Ohashi, H.","Low-temperature form of LiGaSi2O6 Sample: T = 273 K Note: anisoU's from ICSD","Acta Crystallographica, Section C","1995","51","","1959","1960","10.1107/S0108270195004732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011384","7.9268","","7.9268","","9.1025","","90","","90","","90","","571.948","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H2 O4 Sn3 -","- H2 O4 Sn3 -","- H8 O16 Sn12 -","4","0.5","","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic","Acta Crystallographica, Section C","1996","52","","286","288","10.1107/S0108270195012625","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011386","9.3938","","9.3938","","6.9013","","90","","90","","120","","527.405","","","","","","","","","","","","Synthetic","6","P 63/m","-P 6c","176","","","","- Ca4.5 F0.77 Nd0.5 O12.14 P2.55 Si0.45 -","- Ca4.5 F0.77 Nd0.5 O12.14 P2.55 Si0.45 -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","2","0.166667","","Boyer, L.; Savariault, J. M.; Carpena, J.; Lacout, J. L.","A neodymium-substituted britholite compound","Acta Crystallographica, Section C","1998","54","","1057","1059","10.1107/S0108270197019306","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011388","5.2465","","5.2465","","23.702","","90","","90","","120","","565.008","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C O3.99999 Pb1.50001 -","- C6 O23.9999 Pb9.00006 -","6","0.166667","","Martinetto, P.; Anne, M.; Dooryhee, E.; Walter, P.; Tsoucaris, G.","Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction","Acta Crystallographica, Section C","2002","58","","i82","i84","10.1107/S0108270102006844","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011389","23.8384","","11.0248","","16.9332","","90","","118.005","","90","","3929.18","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Lasalite","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011390","10.4834","","10.7309","","21.2293","","90.751","","97.866","","103.663","","2296.24","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H54.684 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011391","10.3273","","10.3273","","37.098","","90","","90","","120","","3426.53","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca8.424 Na1.16 O28 P7 V -","- Ca8.424 Na1.16 O28 P7 V -","- Ca50.544 Na6.96 O168 P42 V6 -","6","0.333333","","Tsirlin, A. A.; Dikarev, E. V.; Shpanchenko, R. V.; Antipov, E. V.","A new whitlockite, Ca8.42Na1.16V(PO4)7","Acta Crystallographica, Section C","2006","62","","i13","i15","10.1107/S0108270105039041","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011392","9.9885","","9.9885","","9.9885","","90","","90","","90","","996.554","","","","","","","","","","","","Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Tyrrellite","- Co1.36 Cu Ni0.64 Se4 -","- Co1.36 Cu Ni0.64 Se4 -","- Co10.88 Cu8 Ni5.12 Se32 -","8","0.0416667","","Yang, H.; Hubler, D. K.; Lavina, B.; Downs, R. T.; Costin, G.","Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel","Acta Crystallographica, Section C","2007","63","","i73","i74","10.1107/S010827010703048X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011393","6.5109","","8.7301","","6.9046","","90","","112.246","","90","","363.251","","","","","","","","","","","","Kjorrestad, near Bamle, Norway","6","C 1 2/c 1","-C 2yc","15","","","Isokite","- Ca F0.8 H0.2 Mg O4.2 P -","- Ca F0.8 H0.2 Mg O4.2 P -","- Ca4 F3.2 H0.8 Mg4 O16.8 P4 -","4","0.5","","Yang, H.; Zwick, J.; Downs, R. T.; Costin, G.","Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite","Acta Crystallographica, Section C","2007","63","","i89","i90","10.1107/S0108270107041169","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011394","5.4258","","10.2027","","8.9074","","90","","90.502","","90","","493.075","","","","","","","","","","","","Hot Springs County, Arkansas, USA","7","P 1 21/n 1","-P 2yn","14","","","Kolbeckite","- Al0.01 Fe0.02 H4 O6 P Sc0.94 V0.03 -","- Al0.01 Fe0.02 H4 O6 P Sc0.94 V0.03 -","- Al0.04 Fe0.08 H16 O24 P4 Sc3.76 V0.12 -","4","1","","Yang, H.; Li, C.; Jenkins, R. A.; Downs, R. T.; Costin, G.","Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite","Acta Crystallographica, Section C","2007","63","","i91","i92","10.1107/S0108270107038036","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9013399","6.429","","6.429","","6.611","","90","","90","","90","","273.246","","","","","","","","","","","","Synthetic","2","P 42/m","-P 4c","84","","","Vysotskite","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Brese, N. E.; Squattrito, P. J.; Ibers, J. A.","Reinvestigation of the structure of PdS","Acta Crystallographica, Section C","1985","41","","1829","1830","10.1107/S0108270185009623","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013400","5.9143","","5.9143","","5.9143","","90","","90","","90","","206.876","","","","120","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 120 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013401","5.9181","","5.9181","","5.9181","","90","","90","","90","","207.275","","","","150","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 150 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013402","5.9297","","5.9297","","5.9297","","90","","90","","90","","208.496","","","","250","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 250 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013403","5.9315","","5.9315","","5.9315","","90","","90","","90","","208.686","","","","298","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Galena","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I.","Temperature dependence of atomic thermal parameters of lead chalcogenides, PbS, PbSe and PbTe Locality: synthetic Sample: T = 298 K","Acta Crystallographica, Section C","1987","43","","1443","1445","10.1107/S0108270187091509","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013404","12.265","","13.197","","9.7385","","90","","108.63","","90","","1493.69","","","","1063","","","","2500000","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Wolfeite","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","","Hatert, F.","Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa","Acta Crystallographica, Section C","2007","63","","i119","i121","10.1107/S0108270107053462","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013895","7.137","","6.031","","11.217","","90","","90","","90","","482.816","","","","","","","","","","","","Allihies mine, County Cork, Ireland","4","P 1 c 1","P -2yc","7","","","Langite","- Cu4 H10 O12 S -","- Cu4 H10 O12 S -","- Cu8 H20 O24 S2 -","2","1","","Gentsch, M.; Weber, K.","Structure of langite, Cu4[(OH)6|SO4]*2H2O","Acta Crystallographica, Section C","1984","40","","1309","1311","10.1107/S0108270184007769","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013896","10.39","","10.39","","7.575","","90","","90","","120","","708.181","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","Sr-Morelandite","","Morelandite","- As3 Ba2.951 Cl O12 Sr2.047 -","- As6 Ba5.902 Cl2 O24 Sr4.094 -","- As6 Ba5.902 Cl2 O24 Sr4.094 -","","","","Dordevic, T.; Sutovic, S.; Stojanovic, J.; Karanovic, L.","Sr, Ba and Cd arsenates with the apatite-type structure","Acta Crystallographica, Section C","2008","64","","i82","i86","10.1107/S0108270108023457","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9014059","7.197","","7.197","","41.224","","90","","90","","120","","1849.2","","","","","","","","","","","","Synthetic","6","R -3 m :H","-R 3 2""","166","","","Nabimusaite","- Ca12 F K O26 S2 Si4 -","- Ca36 F3 K3 O78 S6 Si12 -","- Ca36 F3 K3 O78 S6 Si12 -","","","","Fayos, J.; Glasser, F. P.; Howie, R. A.; Lachowski, E.; Perez-Mendez M","Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate), KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker production process","Acta Crystallographica, Section C","1985","41","","814","816","10.1107/S0108270185005625","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014395","5.9336","","5.9336","","5.9336","","90","","90","","90","","208.908","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ru Se2 -","- Ru4 Se8 -","- Ru4 Se8 -","","","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014829","31.68","","11.659","","3.972","","90","","90","","90","","1467.09","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","","- Bi3.92 Cu4 S9 -","- Bi15.68 Cu16 S36 -","- Bi15.68 Cu16 S36 -","","","","Bente, K.; Kupcik, V.","Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide Cu4Bi4S9","Acta Crystallographica, Section C","1984","40","","1985","1986","10.1107/S0108270184010337","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015032","6.628","","7.467","","22.607","","115.32","","80.56","","95.49","","997.26","","","","","","","","","","","","synthetic at 2 GPa and 1523 K for 20 h","3","P -1","-P 1","2","","","Ferrosilite III","- Fe O3 Si -","- Fe O3 Si -","- Fe18 O54 Si18 -","18","9","","Weber, H. P.","Ferrosilite III, the high-temperature polymorph of FeSiO3","Acta Crystallographica, Section C","1983","39","","1","3","10.1107/S010827018300339X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015189","17.603","","6.981","","6.701","","90","","101.61","","90","","806.615","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","Aurivilliusite","- Hg2 I O -","- Hg16 I8 O8 -","- Hg16 I8 O8 -","","","","Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I.","Structure of mercury(I,II) iodide oxide, Hg2OI","Acta Crystallographica, Section C","1985","41","","167","168","10.1107/S0108270185003183","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015327","10.506","","10.506","","6.103","","90","","90","","90","","673.625","","","","","","","","","","","","Coller cliff, Montana, USA","4","P 21 21 21","P 2ac 2ab","19","","","Euchroite","- As Cu2 H7 O8 -","- As Cu2 H7 O8 -","- As4 Cu8 H28 O32 -","4","1","","Eby, R. K.; Hawthorne, F. C.","Euchroite, a heteropolyhedral framework structure","Acta Crystallographica, Section C","1989","45","","1479","1482","10.1107/S0108270189003148","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015621","8.6231","","8.6231","","21.0503","","90","","90","","120","","1355.55","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Congolite","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","- B42 Cl6 Fe18 O78 -","","","","Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine boracite","Acta Crystallographica, Section C","1985","41","","1551","1552","10.1107/S0108270185008514","","","","","","","","","","","","","","","","","","","","","has coordinates","278249","2022-09-28","18:55:41",""
"9016027","15.583","","15.583","","5.895","","90","","90","","120","","1239.7","","","","","","","","","","","","Setoda, Hiroshima, Japan","10","P 63/m","-P 6c","176","","","Zalesiite","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 -","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 -","- As6 Ca0.8 Ce0.12 Cu12 Fe0.18 H25.92 La0.08 Nd0.02 O42 Y0.62 -","2","0.166667","","Aruga, A.; Nakai, I.","Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O","Acta Crystallographica, Section C","1985","41","","161","163","10.1107/S0108270185003158","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016356","5.6106","","5.6106","","5.6106","","90","","90","","90","","176.615","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Laurite","- Ru S2 -","- Ru4 S8 -","- Ru4 S8 -","","","","Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T.","Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2","Acta Crystallographica, Section C","1990","46","","2003","2005","10.1107/S0108270190001925","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016387","18.207","","7.062","","6.661","","90","","99.65","","90","","844.338","","","","","","","","","","","","Talmessi mine, Iran","5","C 1 2/m 1","-C 2y","12","","","Seelite","- As2 H8 Mg O16 U2 -","- As2 H8 Mg O16 U2 -","- As4 H16 Mg2 O32 U4 -","2","0.25","","Bachet, B.; Brassy, C.","Structure of Mg[(UO2)(AsO4)]2*4H2O","Acta Crystallographica, Section C","1991","47","","2013","2015","10.1107/S0108270191003852","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016395","15.445","","15.445","","7.553","","90","","90","","120","","1560.36","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H24 N6 O19 P6 -","- H72 N18 O57 P18 -","- H72 N18 O57 P18 -","","","","Averbuch-Pouchot M","Structure of ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008850","Acta Crystallographica, Section C","1989","45","","539","540","10.1107/S0108270188011990","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016684","5.3822","","5.3822","","18.156","","90","","90","","120","","455.481","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Butschliite","- C2 Ca K2 O6 -","- C6 Ca3 K6 O18 -","- C6 Ca3 K6 O18 -","","","","Effenberger, H.; Langhof, H.","On the aplanarity of the CO3 group in buetschliite, dipotassium calcium dicarbonate, K2Ca(CO3)2: a further refinement of the atomic arrangement","Acta Crystallographica, Section C","1984","40","7","1299","1300","10.1107/S0108270184007721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017339","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Bassanite","- Ca H1.62 O4.81 S -","- Ca H1.62 O4.81 S -","- Ca3 H4.86 O14.43 S3 -","3","0.5","","Abriel, W.","Calcium sulfat subhydrat, CaSO4.0,8H2O","Acta Crystallographica, Section C","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017340","21.344","","26.494","","4.002","","90","","90","","90","","2263.08","","","","","","","","","","","","Synthetic","4","P b a m","-P 2 2ab","55","","","Znamenskyite","- Bi4 In2 Pb4 S13 -","- Bi16 In8 Pb16 S52 -","- Bi16 In8 Pb16 S52 -","","","","Kramer, V.","Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13","Acta Crystallographica, Section C","1986","42","","1089","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""
"9017341","14.763","","9.325","","15.14","","90","","89.87","","90","","2084.24","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Kanonerovite","- H24 Mn Na3 O22 P3 -","- H96 Mn4 Na12 O88 P12 -","- H96 Mn4 Na12 O88 P12 -","","","","Lightfoot, P.; Cheetham, A. K.","Structure of manganese(II) trisodium tripolyphosphate dodecahydrate Locaality: synthetic","Acta Crystallographica, Section C","1987","43","","4","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""
"9017344","9.747","","9.751","","7.689","","99.92","","105.88","","100.08","","673.084","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C H6 Mn N2 O14 P3 -","- C H6 Mn N2 O14 P3 -","- C2 H12 Mn2 N4 O28 P6 -","2","1","","Averbuch-Pouchot M T; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate","Acta Crystallographica, Section C","1990","46","","965","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017346","6.9481","","6.9481","","4.1565","","90","","90","","90","","200.66","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al3 Ge2 Ni Y3 -","- Al3 Ge2 Ni Y3 -","- Al3 Ge2 Ni Y3 -","","","","Zhao, J. T.; Parthe, E.","Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type","Acta Crystallographica, Section C","1990","46","","2273","2276","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:56",""
"9017347","19.529","","29.559","","16.446","","90","","90","","90","","9493.58","","","","","","","","","","","","","2","C c c e :1","C 2 2 -1ac","68","","","","- C27 V2 -","- C432 V32 -","- C432 V32 -","","","","Braga, D.; Sabatino, P.","Bis(arene)vanadium complexes. A structural study Sample: 1","Acta Crystallographica, Section C","1990","46","","2308","2312","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:56",""